USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 814 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 61 THR OG1 : rot 180:sc= 0.972 USER MOD Set 1.2: A 81 THR OG1 : rot -102:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0.154! (180deg=0.154!) USER MOD Single : A 2 LYS NZ :NH3+ 161:sc= -0.0784 (180deg=-0.495) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.16) USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= -0.0884 (180deg=-0.618) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0963 X(o=-0.096,f=-0.15) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 43 LYS NZ :NH3+ -154:sc= -0.14 (180deg=-0.707) USER MOD Single : A 45 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.67) USER MOD Single : A 47 SER OG : rot -71:sc= 1.6 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 55 LYS NZ :NH3+ 163:sc= -0.285 (180deg=-0.848) USER MOD Single : A 60 HIS : no HD1:sc= -0.746 K(o=-0.75,f=-1.4) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -4:sc= 0.996 USER MOD Single : A 82 TYR OH : rot 74:sc= 1.04 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -150:sc= -0.273 (180deg=-0.63) USER MOD Single : A 93 HIS : no HD1:sc=-0.00897 X(o=-0.009,f=-0.2) USER MOD Single : A 94 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.54) USER MOD Single : A 95 HIS : no HD1:sc= -0.0503 X(o=-0.05,f=-0.05) USER MOD Single : A 96 HIS : no HD1:sc= -3.81 K(o=-3.8,f=-4.6!) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 98 HIS : no HD1:sc= -2.19 K(o=-2.2,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.959 8.985 17.117 1.00 1.00 N ATOM 2 CA MET A 1 -2.772 9.874 16.960 1.00 1.00 C ATOM 3 C MET A 1 -1.507 9.019 16.980 1.00 1.00 C ATOM 4 O MET A 1 -0.499 9.375 16.371 1.00 1.00 O ATOM 5 CB MET A 1 -2.738 10.915 18.108 1.00 1.00 C ATOM 6 CG MET A 1 -3.948 11.884 18.021 1.00 1.00 C ATOM 7 SD MET A 1 -5.475 11.021 18.473 1.00 1.00 S ATOM 8 CE MET A 1 -6.610 12.391 18.155 1.00 1.00 C ATOM 0 H1 MET A 1 -4.826 9.559 17.105 1.00 1.00 H new ATOM 0 H2 MET A 1 -3.986 8.300 16.335 1.00 1.00 H new ATOM 0 H3 MET A 1 -3.894 8.475 18.021 1.00 1.00 H new ATOM 0 HA MET A 1 -2.832 10.409 16.012 1.00 1.00 H new ATOM 0 HB2 MET A 1 -2.748 10.401 19.069 1.00 1.00 H new ATOM 0 HB3 MET A 1 -1.809 11.483 18.060 1.00 1.00 H new ATOM 0 HG2 MET A 1 -3.791 12.733 18.686 1.00 1.00 H new ATOM 0 HG3 MET A 1 -4.032 12.282 17.010 1.00 1.00 H new ATOM 0 HE1 MET A 1 -7.631 12.076 18.372 1.00 1.00 H new ATOM 0 HE2 MET A 1 -6.348 13.236 18.792 1.00 1.00 H new ATOM 0 HE3 MET A 1 -6.537 12.689 17.109 1.00 1.00 H new ATOM 20 N LYS A 2 -1.562 7.887 17.675 1.00 1.00 N ATOM 21 CA LYS A 2 -0.408 6.986 17.769 1.00 1.00 C ATOM 22 C LYS A 2 -0.066 6.421 16.391 1.00 1.00 C ATOM 23 O LYS A 2 1.101 6.374 16.002 1.00 1.00 O ATOM 24 CB LYS A 2 -0.723 5.833 18.746 1.00 1.00 C ATOM 25 CG LYS A 2 -0.981 6.393 20.164 1.00 1.00 C ATOM 26 CD LYS A 2 -1.265 5.237 21.148 1.00 1.00 C ATOM 27 CE LYS A 2 -1.518 5.792 22.561 1.00 1.00 C ATOM 28 NZ LYS A 2 -2.724 6.666 22.533 1.00 1.00 N ATOM 0 H LYS A 2 -2.388 7.569 18.181 1.00 1.00 H new ATOM 0 HA LYS A 2 0.449 7.548 18.141 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -1.597 5.281 18.400 1.00 1.00 H new ATOM 0 HB3 LYS A 2 0.109 5.129 18.770 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -0.116 6.963 20.501 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -1.827 7.080 20.144 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -2.132 4.668 20.812 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -0.420 4.549 21.166 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -1.663 4.973 23.266 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -0.652 6.358 22.903 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -3.091 6.783 23.499 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -2.469 7.596 22.144 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -3.455 6.230 21.936 1.00 1.00 H new ATOM 42 N THR A 3 -1.090 5.994 15.658 1.00 1.00 N ATOM 43 CA THR A 3 -0.913 5.433 14.311 1.00 1.00 C ATOM 44 C THR A 3 -0.929 6.560 13.275 1.00 1.00 C ATOM 45 O THR A 3 -1.597 7.580 13.451 1.00 1.00 O ATOM 46 CB THR A 3 -2.051 4.435 14.013 1.00 1.00 C ATOM 47 OG1 THR A 3 -3.293 5.124 14.026 1.00 1.00 O ATOM 48 CG2 THR A 3 -2.072 3.322 15.075 1.00 1.00 C ATOM 0 H THR A 3 -2.060 6.024 15.972 1.00 1.00 H new ATOM 0 HA THR A 3 0.044 4.914 14.260 1.00 1.00 H new ATOM 0 HB THR A 3 -1.886 3.987 13.033 1.00 1.00 H new ATOM 0 HG1 THR A 3 -4.019 4.494 13.835 1.00 1.00 H new ATOM 0 HG21 THR A 3 -2.879 2.624 14.854 1.00 1.00 H new ATOM 0 HG22 THR A 3 -1.120 2.791 15.065 1.00 1.00 H new ATOM 0 HG23 THR A 3 -2.232 3.762 16.060 1.00 1.00 H new ATOM 56 N LEU A 4 -0.187 6.367 12.190 1.00 1.00 N ATOM 57 CA LEU A 4 -0.102 7.367 11.119 1.00 1.00 C ATOM 58 C LEU A 4 -1.462 7.565 10.446 1.00 1.00 C ATOM 59 O LEU A 4 -2.429 6.866 10.745 1.00 1.00 O ATOM 60 CB LEU A 4 0.942 6.904 10.074 1.00 1.00 C ATOM 61 CG LEU A 4 2.318 6.611 10.743 1.00 1.00 C ATOM 62 CD1 LEU A 4 3.312 6.096 9.672 1.00 1.00 C ATOM 63 CD2 LEU A 4 2.896 7.884 11.441 1.00 1.00 C ATOM 0 H LEU A 4 0.367 5.527 12.024 1.00 1.00 H new ATOM 0 HA LEU A 4 0.203 8.320 11.550 1.00 1.00 H new ATOM 0 HB2 LEU A 4 0.582 6.008 9.569 1.00 1.00 H new ATOM 0 HB3 LEU A 4 1.062 7.673 9.311 1.00 1.00 H new ATOM 0 HG LEU A 4 2.172 5.849 11.509 1.00 1.00 H new ATOM 0 HD11 LEU A 4 4.275 5.891 10.139 1.00 1.00 H new ATOM 0 HD12 LEU A 4 2.923 5.181 9.225 1.00 1.00 H new ATOM 0 HD13 LEU A 4 3.438 6.853 8.898 1.00 1.00 H new ATOM 0 HD21 LEU A 4 3.856 7.644 11.897 1.00 1.00 H new ATOM 0 HD22 LEU A 4 3.032 8.674 10.702 1.00 1.00 H new ATOM 0 HD23 LEU A 4 2.203 8.223 12.211 1.00 1.00 H new ATOM 75 N TYR A 5 -1.523 8.522 9.526 1.00 1.00 N ATOM 76 CA TYR A 5 -2.761 8.823 8.787 1.00 1.00 C ATOM 77 C TYR A 5 -2.473 9.809 7.651 1.00 1.00 C ATOM 78 O TYR A 5 -3.084 9.733 6.583 1.00 1.00 O ATOM 79 CB TYR A 5 -3.827 9.420 9.739 1.00 1.00 C ATOM 80 CG TYR A 5 -5.121 9.731 8.959 1.00 1.00 C ATOM 81 CD1 TYR A 5 -6.088 8.727 8.760 1.00 1.00 C ATOM 82 CD2 TYR A 5 -5.341 11.019 8.426 1.00 1.00 C ATOM 83 CE1 TYR A 5 -7.259 9.009 8.042 1.00 1.00 C ATOM 84 CE2 TYR A 5 -6.516 11.292 7.710 1.00 1.00 C ATOM 85 CZ TYR A 5 -7.472 10.289 7.521 1.00 1.00 C ATOM 86 OH TYR A 5 -8.625 10.564 6.815 1.00 1.00 O ATOM 0 H TYR A 5 -0.730 9.109 9.268 1.00 1.00 H new ATOM 0 HA TYR A 5 -3.144 7.894 8.365 1.00 1.00 H new ATOM 0 HB2 TYR A 5 -4.039 8.718 10.545 1.00 1.00 H new ATOM 0 HB3 TYR A 5 -3.444 10.330 10.201 1.00 1.00 H new ATOM 0 HD1 TYR A 5 -5.927 7.737 9.161 1.00 1.00 H new ATOM 0 HD2 TYR A 5 -4.604 11.795 8.569 1.00 1.00 H new ATOM 0 HE1 TYR A 5 -7.998 8.236 7.891 1.00 1.00 H new ATOM 0 HE2 TYR A 5 -6.683 12.279 7.304 1.00 1.00 H new ATOM 0 HH TYR A 5 -8.615 11.500 6.524 1.00 1.00 H new ATOM 96 N ASP A 6 -1.547 10.735 7.872 1.00 1.00 N ATOM 97 CA ASP A 6 -1.180 11.747 6.859 1.00 1.00 C ATOM 98 C ASP A 6 -0.039 11.240 5.969 1.00 1.00 C ATOM 99 O ASP A 6 0.447 11.974 5.109 1.00 1.00 O ATOM 100 CB ASP A 6 -0.793 13.069 7.562 1.00 1.00 C ATOM 101 CG ASP A 6 -0.504 14.170 6.531 1.00 1.00 C ATOM 102 OD1 ASP A 6 -1.320 14.344 5.643 1.00 1.00 O ATOM 103 OD2 ASP A 6 0.527 14.812 6.647 1.00 1.00 O ATOM 0 H ASP A 6 -1.027 10.815 8.746 1.00 1.00 H new ATOM 0 HA ASP A 6 -2.039 11.932 6.215 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -1.601 13.385 8.222 1.00 1.00 H new ATOM 0 HB3 ASP A 6 0.086 12.910 8.187 1.00 1.00 H new ATOM 108 N LEU A 7 0.373 9.993 6.176 1.00 1.00 N ATOM 109 CA LEU A 7 1.456 9.386 5.378 1.00 1.00 C ATOM 110 C LEU A 7 1.477 7.846 5.561 1.00 1.00 C ATOM 111 O LEU A 7 2.505 7.286 5.944 1.00 1.00 O ATOM 112 CB LEU A 7 2.824 9.997 5.796 1.00 1.00 C ATOM 113 CG LEU A 7 3.114 9.788 7.353 1.00 1.00 C ATOM 114 CD1 LEU A 7 4.506 9.155 7.579 1.00 1.00 C ATOM 115 CD2 LEU A 7 3.041 11.139 8.109 1.00 1.00 C ATOM 0 H LEU A 7 -0.020 9.376 6.887 1.00 1.00 H new ATOM 0 HA LEU A 7 1.275 9.600 4.325 1.00 1.00 H new ATOM 0 HB2 LEU A 7 3.621 9.537 5.212 1.00 1.00 H new ATOM 0 HB3 LEU A 7 2.833 11.062 5.564 1.00 1.00 H new ATOM 0 HG LEU A 7 2.350 9.114 7.740 1.00 1.00 H new ATOM 0 HD11 LEU A 7 4.677 9.024 8.648 1.00 1.00 H new ATOM 0 HD12 LEU A 7 4.550 8.185 7.083 1.00 1.00 H new ATOM 0 HD13 LEU A 7 5.274 9.809 7.166 1.00 1.00 H new ATOM 0 HD21 LEU A 7 3.241 10.975 9.168 1.00 1.00 H new ATOM 0 HD22 LEU A 7 3.784 11.825 7.701 1.00 1.00 H new ATOM 0 HD23 LEU A 7 2.046 11.569 7.990 1.00 1.00 H new ATOM 127 N PRO A 8 0.401 7.166 5.277 1.00 1.00 N ATOM 128 CA PRO A 8 0.350 5.663 5.416 1.00 1.00 C ATOM 129 C PRO A 8 1.130 4.956 4.291 1.00 1.00 C ATOM 130 O PRO A 8 2.335 4.721 4.388 1.00 1.00 O ATOM 131 CB PRO A 8 -1.183 5.371 5.374 1.00 1.00 C ATOM 132 CG PRO A 8 -1.738 6.452 4.474 1.00 1.00 C ATOM 133 CD PRO A 8 -0.902 7.711 4.796 1.00 1.00 C ATOM 0 HA PRO A 8 0.823 5.289 6.324 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -1.389 4.377 4.977 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -1.625 5.415 6.369 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -1.647 6.176 3.423 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -2.797 6.622 4.668 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -0.771 8.339 3.915 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -1.383 8.326 5.557 1.00 1.00 H new ATOM 141 N ILE A 9 0.424 4.626 3.214 1.00 1.00 N ATOM 142 CA ILE A 9 1.022 3.935 2.055 1.00 1.00 C ATOM 143 C ILE A 9 1.197 4.920 0.889 1.00 1.00 C ATOM 144 O ILE A 9 0.361 5.788 0.636 1.00 1.00 O ATOM 145 CB ILE A 9 0.108 2.749 1.624 1.00 1.00 C ATOM 146 CG1 ILE A 9 -0.127 1.804 2.845 1.00 1.00 C ATOM 147 CG2 ILE A 9 0.776 1.954 0.467 1.00 1.00 C ATOM 148 CD1 ILE A 9 -1.155 0.707 2.505 1.00 1.00 C ATOM 0 H ILE A 9 -0.571 4.824 3.111 1.00 1.00 H new ATOM 0 HA ILE A 9 2.001 3.547 2.334 1.00 1.00 H new ATOM 0 HB ILE A 9 -0.848 3.141 1.277 1.00 1.00 H new ATOM 0 HG12 ILE A 9 0.816 1.344 3.140 1.00 1.00 H new ATOM 0 HG13 ILE A 9 -0.479 2.386 3.697 1.00 1.00 H new ATOM 0 HG21 ILE A 9 0.129 1.127 0.173 1.00 1.00 H new ATOM 0 HG22 ILE A 9 0.931 2.614 -0.386 1.00 1.00 H new ATOM 0 HG23 ILE A 9 1.736 1.562 0.802 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -1.300 0.063 3.372 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -2.104 1.169 2.234 1.00 1.00 H new ATOM 0 HD13 ILE A 9 -0.789 0.112 1.668 1.00 1.00 H new ATOM 160 N VAL A 10 2.297 4.759 0.160 1.00 1.00 N ATOM 161 CA VAL A 10 2.602 5.625 -1.004 1.00 1.00 C ATOM 162 C VAL A 10 2.172 4.930 -2.295 1.00 1.00 C ATOM 163 O VAL A 10 2.437 3.748 -2.509 1.00 1.00 O ATOM 164 CB VAL A 10 4.120 5.957 -1.049 1.00 1.00 C ATOM 165 CG1 VAL A 10 4.411 7.008 -2.159 1.00 1.00 C ATOM 166 CG2 VAL A 10 4.562 6.522 0.321 1.00 1.00 C ATOM 0 H VAL A 10 2.999 4.042 0.344 1.00 1.00 H new ATOM 0 HA VAL A 10 2.049 6.559 -0.904 1.00 1.00 H new ATOM 0 HB VAL A 10 4.675 5.046 -1.271 1.00 1.00 H new ATOM 0 HG11 VAL A 10 5.478 7.231 -2.179 1.00 1.00 H new ATOM 0 HG12 VAL A 10 4.106 6.609 -3.126 1.00 1.00 H new ATOM 0 HG13 VAL A 10 3.854 7.921 -1.951 1.00 1.00 H new ATOM 0 HG21 VAL A 10 5.626 6.756 0.292 1.00 1.00 H new ATOM 0 HG22 VAL A 10 3.997 7.428 0.540 1.00 1.00 H new ATOM 0 HG23 VAL A 10 4.374 5.781 1.098 1.00 1.00 H new ATOM 176 N LEU A 11 1.514 5.673 -3.180 1.00 1.00 N ATOM 177 CA LEU A 11 1.037 5.120 -4.465 1.00 1.00 C ATOM 178 C LEU A 11 2.063 5.417 -5.577 1.00 1.00 C ATOM 179 O LEU A 11 2.267 6.563 -5.982 1.00 1.00 O ATOM 180 CB LEU A 11 -0.358 5.746 -4.796 1.00 1.00 C ATOM 181 CG LEU A 11 -1.229 4.806 -5.710 1.00 1.00 C ATOM 182 CD1 LEU A 11 -0.453 4.410 -6.995 1.00 1.00 C ATOM 183 CD2 LEU A 11 -1.703 3.515 -4.937 1.00 1.00 C ATOM 0 H LEU A 11 1.294 6.659 -3.041 1.00 1.00 H new ATOM 0 HA LEU A 11 0.929 4.038 -4.394 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.894 5.946 -3.868 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -0.215 6.705 -5.295 1.00 1.00 H new ATOM 0 HG LEU A 11 -2.118 5.368 -5.997 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -1.076 3.760 -7.610 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -0.199 5.308 -7.558 1.00 1.00 H new ATOM 0 HD13 LEU A 11 0.461 3.883 -6.720 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -2.301 2.892 -5.602 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -0.832 2.953 -4.599 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -2.303 3.807 -4.075 1.00 1.00 H new ATOM 195 N ARG A 12 2.706 4.365 -6.072 1.00 1.00 N ATOM 196 CA ARG A 12 3.718 4.494 -7.152 1.00 1.00 C ATOM 197 C ARG A 12 3.120 4.110 -8.501 1.00 1.00 C ATOM 198 O ARG A 12 2.204 3.291 -8.581 1.00 1.00 O ATOM 199 CB ARG A 12 4.936 3.594 -6.843 1.00 1.00 C ATOM 200 CG ARG A 12 6.134 3.947 -7.765 1.00 1.00 C ATOM 201 CD ARG A 12 7.361 3.099 -7.388 1.00 1.00 C ATOM 202 NE ARG A 12 7.788 3.433 -6.027 1.00 1.00 N ATOM 203 CZ ARG A 12 8.821 2.826 -5.429 1.00 1.00 C ATOM 204 NH1 ARG A 12 9.503 1.901 -6.053 1.00 1.00 N ATOM 205 NH2 ARG A 12 9.151 3.165 -4.212 1.00 1.00 N ATOM 0 H ARG A 12 2.555 3.408 -5.753 1.00 1.00 H new ATOM 0 HA ARG A 12 4.040 5.534 -7.200 1.00 1.00 H new ATOM 0 HB2 ARG A 12 5.227 3.715 -5.800 1.00 1.00 H new ATOM 0 HB3 ARG A 12 4.664 2.547 -6.979 1.00 1.00 H new ATOM 0 HG2 ARG A 12 5.866 3.769 -8.806 1.00 1.00 H new ATOM 0 HG3 ARG A 12 6.373 5.007 -7.674 1.00 1.00 H new ATOM 0 HD2 ARG A 12 7.117 2.039 -7.454 1.00 1.00 H new ATOM 0 HD3 ARG A 12 8.173 3.284 -8.091 1.00 1.00 H new ATOM 0 HE ARG A 12 7.280 4.155 -5.516 1.00 1.00 H new ATOM 0 HH11 ARG A 12 9.250 1.635 -7.005 1.00 1.00 H new ATOM 0 HH12 ARG A 12 10.288 1.445 -5.588 1.00 1.00 H new ATOM 0 HH21 ARG A 12 8.623 3.888 -3.723 1.00 1.00 H new ATOM 0 HH22 ARG A 12 9.937 2.707 -3.750 1.00 1.00 H new ATOM 219 N ASN A 13 3.636 4.707 -9.569 1.00 1.00 N ATOM 220 CA ASN A 13 3.165 4.435 -10.925 1.00 1.00 C ATOM 221 C ASN A 13 1.668 4.704 -11.028 1.00 1.00 C ATOM 222 O ASN A 13 0.918 3.899 -11.578 1.00 1.00 O ATOM 223 CB ASN A 13 3.479 2.974 -11.324 1.00 1.00 C ATOM 224 CG ASN A 13 4.971 2.692 -11.164 1.00 1.00 C ATOM 225 OD1 ASN A 13 5.798 3.372 -11.772 1.00 1.00 O ATOM 226 ND2 ASN A 13 5.368 1.730 -10.373 1.00 1.00 N ATOM 0 H ASN A 13 4.391 5.392 -9.522 1.00 1.00 H new ATOM 0 HA ASN A 13 3.687 5.100 -11.613 1.00 1.00 H new ATOM 0 HB2 ASN A 13 2.903 2.288 -10.703 1.00 1.00 H new ATOM 0 HB3 ASN A 13 3.177 2.799 -12.357 1.00 1.00 H new ATOM 0 HD21 ASN A 13 6.364 1.542 -10.259 1.00 1.00 H new ATOM 0 HD22 ASN A 13 4.682 1.167 -9.870 1.00 1.00 H new ATOM 233 N LEU A 14 1.234 5.842 -10.497 1.00 1.00 N ATOM 234 CA LEU A 14 -0.199 6.213 -10.517 1.00 1.00 C ATOM 235 C LEU A 14 -0.654 6.600 -11.954 1.00 1.00 C ATOM 236 O LEU A 14 -0.251 7.662 -12.430 1.00 1.00 O ATOM 237 CB LEU A 14 -0.462 7.409 -9.533 1.00 1.00 C ATOM 238 CG LEU A 14 -1.963 7.444 -9.026 1.00 1.00 C ATOM 239 CD1 LEU A 14 -2.092 8.408 -7.829 1.00 1.00 C ATOM 240 CD2 LEU A 14 -2.940 7.884 -10.166 1.00 1.00 C ATOM 0 H LEU A 14 1.840 6.528 -10.047 1.00 1.00 H new ATOM 0 HA LEU A 14 -0.778 5.348 -10.194 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.208 7.328 -8.677 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.227 8.348 -10.034 1.00 1.00 H new ATOM 0 HG LEU A 14 -2.236 6.435 -8.715 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -3.127 8.426 -7.486 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -1.447 8.069 -7.018 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -1.793 9.411 -8.135 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -3.961 7.898 -9.785 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -2.669 8.881 -10.513 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -2.872 7.180 -10.996 1.00 1.00 H new ATOM 252 N PRO A 15 -1.495 5.835 -12.593 1.00 1.00 N ATOM 253 CA PRO A 15 -1.977 6.226 -13.976 1.00 1.00 C ATOM 254 C PRO A 15 -2.462 7.702 -14.026 1.00 1.00 C ATOM 255 O PRO A 15 -3.070 8.225 -13.092 1.00 1.00 O ATOM 256 CB PRO A 15 -3.132 5.238 -14.253 1.00 1.00 C ATOM 257 CG PRO A 15 -2.778 4.015 -13.449 1.00 1.00 C ATOM 258 CD PRO A 15 -2.110 4.544 -12.170 1.00 1.00 C ATOM 0 HA PRO A 15 -1.186 6.170 -14.724 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -4.092 5.652 -13.945 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -3.211 5.006 -15.315 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -3.667 3.429 -13.214 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -2.103 3.363 -14.003 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -2.837 4.691 -11.371 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.360 3.848 -11.794 1.00 1.00 H new ATOM 266 N GLU A 16 -2.153 8.389 -15.120 1.00 1.00 N ATOM 267 CA GLU A 16 -2.527 9.806 -15.296 1.00 1.00 C ATOM 268 C GLU A 16 -3.994 9.970 -15.712 1.00 1.00 C ATOM 269 O GLU A 16 -4.623 10.988 -15.421 1.00 1.00 O ATOM 270 CB GLU A 16 -1.588 10.459 -16.336 1.00 1.00 C ATOM 271 CG GLU A 16 -1.670 9.714 -17.686 1.00 1.00 C ATOM 272 CD GLU A 16 -0.718 10.351 -18.704 1.00 1.00 C ATOM 273 OE1 GLU A 16 -0.547 11.558 -18.653 1.00 1.00 O ATOM 274 OE2 GLU A 16 -0.178 9.618 -19.517 1.00 1.00 O ATOM 0 H GLU A 16 -1.641 7.993 -15.909 1.00 1.00 H new ATOM 0 HA GLU A 16 -2.415 10.308 -14.335 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -1.861 11.505 -16.475 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -0.562 10.444 -15.968 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -1.414 8.664 -17.546 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -2.692 9.745 -18.065 1.00 1.00 H new ATOM 281 N ASP A 17 -4.535 8.978 -16.411 1.00 1.00 N ATOM 282 CA ASP A 17 -5.930 9.028 -16.901 1.00 1.00 C ATOM 283 C ASP A 17 -6.904 8.426 -15.887 1.00 1.00 C ATOM 284 O ASP A 17 -8.119 8.486 -16.063 1.00 1.00 O ATOM 285 CB ASP A 17 -6.014 8.242 -18.228 1.00 1.00 C ATOM 286 CG ASP A 17 -5.440 6.834 -18.053 1.00 1.00 C ATOM 287 OD1 ASP A 17 -4.313 6.725 -17.600 1.00 1.00 O ATOM 288 OD2 ASP A 17 -6.132 5.883 -18.385 1.00 1.00 O ATOM 0 H ASP A 17 -4.037 8.123 -16.657 1.00 1.00 H new ATOM 0 HA ASP A 17 -6.210 10.071 -17.051 1.00 1.00 H new ATOM 0 HB2 ASP A 17 -7.052 8.180 -18.556 1.00 1.00 H new ATOM 0 HB3 ASP A 17 -5.465 8.771 -19.007 1.00 1.00 H new ATOM 293 N LEU A 18 -6.371 7.839 -14.819 1.00 1.00 N ATOM 294 CA LEU A 18 -7.220 7.204 -13.769 1.00 1.00 C ATOM 295 C LEU A 18 -6.911 7.851 -12.416 1.00 1.00 C ATOM 296 O LEU A 18 -5.806 8.331 -12.172 1.00 1.00 O ATOM 297 CB LEU A 18 -6.982 5.658 -13.711 1.00 1.00 C ATOM 298 CG LEU A 18 -6.924 5.034 -15.152 1.00 1.00 C ATOM 299 CD1 LEU A 18 -6.504 3.551 -15.075 1.00 1.00 C ATOM 300 CD2 LEU A 18 -8.303 5.149 -15.876 1.00 1.00 C ATOM 0 H LEU A 18 -5.368 7.780 -14.642 1.00 1.00 H new ATOM 0 HA LEU A 18 -8.270 7.363 -14.016 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -6.050 5.451 -13.185 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -7.782 5.186 -13.140 1.00 1.00 H new ATOM 0 HG LEU A 18 -6.185 5.593 -15.726 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -6.468 3.130 -16.080 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -5.519 3.475 -14.614 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -7.228 2.998 -14.476 1.00 1.00 H new ATOM 0 HD21 LEU A 18 -8.230 4.708 -16.870 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -9.062 4.620 -15.300 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -8.581 6.199 -15.964 1.00 1.00 H new ATOM 312 N VAL A 19 -7.896 7.867 -11.524 1.00 1.00 N ATOM 313 CA VAL A 19 -7.721 8.472 -10.174 1.00 1.00 C ATOM 314 C VAL A 19 -8.489 7.686 -9.113 1.00 1.00 C ATOM 315 O VAL A 19 -9.413 6.930 -9.411 1.00 1.00 O ATOM 316 CB VAL A 19 -8.195 9.956 -10.171 1.00 1.00 C ATOM 317 CG1 VAL A 19 -7.338 10.800 -11.148 1.00 1.00 C ATOM 318 CG2 VAL A 19 -9.692 10.046 -10.577 1.00 1.00 C ATOM 0 H VAL A 19 -8.823 7.476 -11.693 1.00 1.00 H new ATOM 0 HA VAL A 19 -6.659 8.435 -9.933 1.00 1.00 H new ATOM 0 HB VAL A 19 -8.075 10.351 -9.162 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -7.682 11.834 -11.134 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -6.293 10.761 -10.842 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -7.435 10.399 -12.157 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -10.009 11.089 -10.570 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -9.823 9.633 -11.577 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -10.296 9.479 -9.869 1.00 1.00 H new ATOM 328 N LEU A 20 -8.097 7.887 -7.860 1.00 1.00 N ATOM 329 CA LEU A 20 -8.724 7.223 -6.709 1.00 1.00 C ATOM 330 C LEU A 20 -9.950 8.028 -6.261 1.00 1.00 C ATOM 331 O LEU A 20 -9.869 9.235 -6.037 1.00 1.00 O ATOM 332 CB LEU A 20 -7.659 7.105 -5.531 1.00 1.00 C ATOM 333 CG LEU A 20 -7.151 5.622 -5.331 1.00 1.00 C ATOM 334 CD1 LEU A 20 -5.798 5.595 -4.585 1.00 1.00 C ATOM 335 CD2 LEU A 20 -8.198 4.803 -4.537 1.00 1.00 C ATOM 0 H LEU A 20 -7.334 8.515 -7.607 1.00 1.00 H new ATOM 0 HA LEU A 20 -9.053 6.221 -6.985 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -6.809 7.752 -5.746 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -8.105 7.463 -4.603 1.00 1.00 H new ATOM 0 HG LEU A 20 -7.013 5.177 -6.317 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -5.472 4.562 -4.461 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -5.054 6.144 -5.162 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -5.913 6.059 -3.606 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -7.838 3.783 -4.405 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -8.355 5.262 -3.561 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -9.140 4.787 -5.086 1.00 1.00 H new ATOM 347 N GLU A 21 -11.088 7.356 -6.109 1.00 1.00 N ATOM 348 CA GLU A 21 -12.324 8.001 -5.678 1.00 1.00 C ATOM 349 C GLU A 21 -12.220 8.465 -4.232 1.00 1.00 C ATOM 350 O GLU A 21 -12.817 9.470 -3.851 1.00 1.00 O ATOM 351 CB GLU A 21 -13.510 7.023 -5.844 1.00 1.00 C ATOM 352 CG GLU A 21 -13.254 5.710 -5.067 1.00 1.00 C ATOM 353 CD GLU A 21 -14.445 4.763 -5.229 1.00 1.00 C ATOM 354 OE1 GLU A 21 -15.005 4.734 -6.309 1.00 1.00 O ATOM 355 OE2 GLU A 21 -14.776 4.085 -4.270 1.00 1.00 O ATOM 0 H GLU A 21 -11.179 6.355 -6.280 1.00 1.00 H new ATOM 0 HA GLU A 21 -12.493 8.879 -6.302 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -14.426 7.491 -5.484 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -13.659 6.802 -6.901 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -12.346 5.232 -5.435 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -13.094 5.928 -4.011 1.00 1.00 H new ATOM 362 N LYS A 22 -11.477 7.729 -3.411 1.00 1.00 N ATOM 363 CA LYS A 22 -11.333 8.096 -1.974 1.00 1.00 C ATOM 364 C LYS A 22 -9.918 7.731 -1.440 1.00 1.00 C ATOM 365 O LYS A 22 -9.312 6.788 -1.949 1.00 1.00 O ATOM 366 CB LYS A 22 -12.435 7.382 -1.125 1.00 1.00 C ATOM 367 CG LYS A 22 -13.836 8.006 -1.374 1.00 1.00 C ATOM 368 CD LYS A 22 -14.892 7.317 -0.477 1.00 1.00 C ATOM 369 CE LYS A 22 -16.279 7.946 -0.715 1.00 1.00 C ATOM 370 NZ LYS A 22 -16.222 9.405 -0.415 1.00 1.00 N ATOM 0 H LYS A 22 -10.969 6.890 -3.691 1.00 1.00 H new ATOM 0 HA LYS A 22 -11.457 9.175 -1.884 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -12.458 6.321 -1.374 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -12.185 7.455 -0.067 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -13.809 9.075 -1.162 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -14.111 7.895 -2.423 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -14.926 6.250 -0.695 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -14.613 7.419 0.572 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -16.589 7.788 -1.748 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -17.023 7.463 -0.082 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -17.185 9.765 -0.259 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -15.651 9.562 0.440 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -15.790 9.908 -1.216 1.00 1.00 H new ATOM 384 N PRO A 23 -9.399 8.422 -0.462 1.00 1.00 N ATOM 385 CA PRO A 23 -8.036 8.100 0.101 1.00 1.00 C ATOM 386 C PRO A 23 -7.897 6.640 0.550 1.00 1.00 C ATOM 387 O PRO A 23 -8.863 5.978 0.929 1.00 1.00 O ATOM 388 CB PRO A 23 -7.878 9.062 1.317 1.00 1.00 C ATOM 389 CG PRO A 23 -8.781 10.212 0.998 1.00 1.00 C ATOM 390 CD PRO A 23 -9.985 9.595 0.259 1.00 1.00 C ATOM 0 HA PRO A 23 -7.265 8.232 -0.658 1.00 1.00 H new ATOM 0 HB2 PRO A 23 -8.167 8.576 2.249 1.00 1.00 H new ATOM 0 HB3 PRO A 23 -6.845 9.388 1.435 1.00 1.00 H new ATOM 0 HG2 PRO A 23 -9.098 10.726 1.905 1.00 1.00 H new ATOM 0 HG3 PRO A 23 -8.274 10.949 0.375 1.00 1.00 H new ATOM 0 HD2 PRO A 23 -10.766 9.288 0.954 1.00 1.00 H new ATOM 0 HD3 PRO A 23 -10.436 10.306 -0.434 1.00 1.00 H new ATOM 398 N LEU A 24 -6.663 6.146 0.510 1.00 1.00 N ATOM 399 CA LEU A 24 -6.312 4.773 0.917 1.00 1.00 C ATOM 400 C LEU A 24 -7.125 4.295 2.165 1.00 1.00 C ATOM 401 O LEU A 24 -7.545 5.130 2.965 1.00 1.00 O ATOM 402 CB LEU A 24 -4.781 4.770 1.212 1.00 1.00 C ATOM 403 CG LEU A 24 -3.944 4.889 -0.132 1.00 1.00 C ATOM 404 CD1 LEU A 24 -2.624 5.658 0.110 1.00 1.00 C ATOM 405 CD2 LEU A 24 -3.634 3.478 -0.703 1.00 1.00 C ATOM 0 H LEU A 24 -5.861 6.690 0.191 1.00 1.00 H new ATOM 0 HA LEU A 24 -6.563 4.074 0.120 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -4.533 5.599 1.874 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -4.509 3.853 1.734 1.00 1.00 H new ATOM 0 HG LEU A 24 -4.543 5.442 -0.855 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -2.067 5.727 -0.824 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -2.848 6.661 0.474 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -2.025 5.129 0.851 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -3.060 3.576 -1.624 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -3.056 2.909 0.026 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -4.568 2.957 -0.912 1.00 1.00 H new ATOM 417 N PRO A 25 -7.342 3.020 2.334 1.00 1.00 N ATOM 418 CA PRO A 25 -8.147 2.510 3.506 1.00 1.00 C ATOM 419 C PRO A 25 -7.362 2.552 4.806 1.00 1.00 C ATOM 420 O PRO A 25 -7.906 2.818 5.877 1.00 1.00 O ATOM 421 CB PRO A 25 -8.489 1.055 3.088 1.00 1.00 C ATOM 422 CG PRO A 25 -7.282 0.632 2.298 1.00 1.00 C ATOM 423 CD PRO A 25 -6.871 1.884 1.488 1.00 1.00 C ATOM 0 HA PRO A 25 -9.029 3.118 3.707 1.00 1.00 H new ATOM 0 HB2 PRO A 25 -8.648 0.414 3.955 1.00 1.00 H new ATOM 0 HB3 PRO A 25 -9.398 1.011 2.488 1.00 1.00 H new ATOM 0 HG2 PRO A 25 -6.476 0.305 2.955 1.00 1.00 H new ATOM 0 HG3 PRO A 25 -7.515 -0.205 1.639 1.00 1.00 H new ATOM 0 HD2 PRO A 25 -5.793 1.923 1.329 1.00 1.00 H new ATOM 0 HD3 PRO A 25 -7.339 1.896 0.504 1.00 1.00 H new ATOM 431 N GLU A 26 -6.067 2.264 4.715 1.00 1.00 N ATOM 432 CA GLU A 26 -5.172 2.253 5.876 1.00 1.00 C ATOM 433 C GLU A 26 -5.589 1.152 6.854 1.00 1.00 C ATOM 434 O GLU A 26 -6.757 1.029 7.223 1.00 1.00 O ATOM 435 CB GLU A 26 -5.161 3.629 6.584 1.00 1.00 C ATOM 436 CG GLU A 26 -4.077 3.667 7.685 1.00 1.00 C ATOM 437 CD GLU A 26 -4.073 5.020 8.394 1.00 1.00 C ATOM 438 OE1 GLU A 26 -4.626 5.969 7.853 1.00 1.00 O ATOM 439 OE2 GLU A 26 -3.535 5.079 9.481 1.00 1.00 O ATOM 0 H GLU A 26 -5.605 2.031 3.836 1.00 1.00 H new ATOM 0 HA GLU A 26 -4.161 2.048 5.524 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -4.974 4.417 5.855 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -6.139 3.826 7.023 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.259 2.872 8.409 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -3.098 3.479 7.245 1.00 1.00 H new ATOM 446 N VAL A 27 -4.623 0.342 7.278 1.00 1.00 N ATOM 447 CA VAL A 27 -4.878 -0.767 8.209 1.00 1.00 C ATOM 448 C VAL A 27 -3.617 -1.072 9.029 1.00 1.00 C ATOM 449 O VAL A 27 -2.538 -0.529 8.791 1.00 1.00 O ATOM 450 CB VAL A 27 -5.324 -2.031 7.414 1.00 1.00 C ATOM 451 CG1 VAL A 27 -6.750 -1.846 6.803 1.00 1.00 C ATOM 452 CG2 VAL A 27 -4.310 -2.305 6.280 1.00 1.00 C ATOM 0 H VAL A 27 -3.648 0.429 6.992 1.00 1.00 H new ATOM 0 HA VAL A 27 -5.675 -0.480 8.894 1.00 1.00 H new ATOM 0 HB VAL A 27 -5.357 -2.875 8.103 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -7.031 -2.746 6.255 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -7.469 -1.670 7.603 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -6.747 -0.994 6.124 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -4.619 -3.189 5.722 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -4.273 -1.446 5.609 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -3.322 -2.473 6.708 1.00 1.00 H new ATOM 462 N SER A 28 -3.758 -1.948 10.016 1.00 1.00 N ATOM 463 CA SER A 28 -2.638 -2.345 10.893 1.00 1.00 C ATOM 464 C SER A 28 -1.879 -3.539 10.306 1.00 1.00 C ATOM 465 O SER A 28 -2.304 -4.180 9.344 1.00 1.00 O ATOM 466 CB SER A 28 -3.178 -2.720 12.281 1.00 1.00 C ATOM 467 OG SER A 28 -3.976 -3.891 12.173 1.00 1.00 O ATOM 0 H SER A 28 -4.641 -2.407 10.239 1.00 1.00 H new ATOM 0 HA SER A 28 -1.952 -1.502 10.975 1.00 1.00 H new ATOM 0 HB2 SER A 28 -2.352 -2.891 12.971 1.00 1.00 H new ATOM 0 HB3 SER A 28 -3.769 -1.899 12.688 1.00 1.00 H new ATOM 0 HG SER A 28 -4.321 -4.134 13.057 1.00 1.00 H new ATOM 473 N VAL A 29 -0.730 -3.841 10.899 1.00 1.00 N ATOM 474 CA VAL A 29 0.131 -4.971 10.446 1.00 1.00 C ATOM 475 C VAL A 29 0.714 -5.713 11.652 1.00 1.00 C ATOM 476 O VAL A 29 0.868 -5.122 12.719 1.00 1.00 O ATOM 477 CB VAL A 29 1.278 -4.417 9.524 1.00 1.00 C ATOM 478 CG1 VAL A 29 0.681 -3.446 8.470 1.00 1.00 C ATOM 479 CG2 VAL A 29 2.361 -3.645 10.347 1.00 1.00 C ATOM 0 H VAL A 29 -0.357 -3.329 11.698 1.00 1.00 H new ATOM 0 HA VAL A 29 -0.471 -5.678 9.875 1.00 1.00 H new ATOM 0 HB VAL A 29 1.749 -5.273 9.040 1.00 1.00 H new ATOM 0 HG11 VAL A 29 1.479 -3.065 7.833 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -0.049 -3.977 7.858 1.00 1.00 H new ATOM 0 HG13 VAL A 29 0.193 -2.614 8.977 1.00 1.00 H new ATOM 0 HG21 VAL A 29 3.136 -3.278 9.674 1.00 1.00 H new ATOM 0 HG22 VAL A 29 1.897 -2.803 10.859 1.00 1.00 H new ATOM 0 HG23 VAL A 29 2.806 -4.316 11.082 1.00 1.00 H new ATOM 489 N THR A 30 1.075 -6.984 11.504 1.00 1.00 N ATOM 490 CA THR A 30 1.675 -7.754 12.622 1.00 1.00 C ATOM 491 C THR A 30 3.093 -8.205 12.245 1.00 1.00 C ATOM 492 O THR A 30 3.286 -8.890 11.240 1.00 1.00 O ATOM 493 CB THR A 30 0.786 -8.984 12.927 1.00 1.00 C ATOM 494 OG1 THR A 30 -0.567 -8.554 12.998 1.00 1.00 O ATOM 495 CG2 THR A 30 1.172 -9.612 14.285 1.00 1.00 C ATOM 0 H THR A 30 0.970 -7.510 10.637 1.00 1.00 H new ATOM 0 HA THR A 30 1.736 -7.124 13.509 1.00 1.00 H new ATOM 0 HB THR A 30 0.923 -9.726 12.141 1.00 1.00 H new ATOM 0 HG1 THR A 30 -1.145 -9.322 13.189 1.00 1.00 H new ATOM 0 HG21 THR A 30 0.536 -10.475 14.481 1.00 1.00 H new ATOM 0 HG22 THR A 30 2.214 -9.929 14.256 1.00 1.00 H new ATOM 0 HG23 THR A 30 1.039 -8.876 15.077 1.00 1.00 H new ATOM 503 N ILE A 31 4.084 -7.846 13.052 1.00 1.00 N ATOM 504 CA ILE A 31 5.500 -8.211 12.827 1.00 1.00 C ATOM 505 C ILE A 31 6.041 -8.971 14.042 1.00 1.00 C ATOM 506 O ILE A 31 5.552 -8.846 15.165 1.00 1.00 O ATOM 507 CB ILE A 31 6.310 -6.911 12.552 1.00 1.00 C ATOM 508 CG1 ILE A 31 5.776 -6.232 11.245 1.00 1.00 C ATOM 509 CG2 ILE A 31 7.825 -7.192 12.411 1.00 1.00 C ATOM 510 CD1 ILE A 31 5.910 -7.126 9.978 1.00 1.00 C ATOM 0 H ILE A 31 3.938 -7.287 13.893 1.00 1.00 H new ATOM 0 HA ILE A 31 5.594 -8.869 11.963 1.00 1.00 H new ATOM 0 HB ILE A 31 6.176 -6.246 13.405 1.00 1.00 H new ATOM 0 HG12 ILE A 31 4.727 -5.969 11.385 1.00 1.00 H new ATOM 0 HG13 ILE A 31 6.319 -5.301 11.081 1.00 1.00 H new ATOM 0 HG21 ILE A 31 8.352 -6.257 12.220 1.00 1.00 H new ATOM 0 HG22 ILE A 31 8.200 -7.638 13.332 1.00 1.00 H new ATOM 0 HG23 ILE A 31 7.992 -7.879 11.581 1.00 1.00 H new ATOM 0 HD11 ILE A 31 5.520 -6.591 9.112 1.00 1.00 H new ATOM 0 HD12 ILE A 31 6.960 -7.368 9.813 1.00 1.00 H new ATOM 0 HD13 ILE A 31 5.344 -8.046 10.121 1.00 1.00 H new ATOM 522 N ARG A 32 7.075 -9.774 13.810 1.00 1.00 N ATOM 523 CA ARG A 32 7.725 -10.586 14.866 1.00 1.00 C ATOM 524 C ARG A 32 9.248 -10.358 14.832 1.00 1.00 C ATOM 525 O ARG A 32 9.925 -10.699 13.862 1.00 1.00 O ATOM 526 CB ARG A 32 7.393 -12.094 14.645 1.00 1.00 C ATOM 527 CG ARG A 32 7.570 -12.496 13.157 1.00 1.00 C ATOM 528 CD ARG A 32 7.310 -14.006 12.992 1.00 1.00 C ATOM 529 NE ARG A 32 5.950 -14.328 13.429 1.00 1.00 N ATOM 530 CZ ARG A 32 5.517 -15.590 13.541 1.00 1.00 C ATOM 531 NH1 ARG A 32 6.320 -16.591 13.282 1.00 1.00 N ATOM 532 NH2 ARG A 32 4.291 -15.824 13.921 1.00 1.00 N ATOM 0 H ARG A 32 7.496 -9.889 12.888 1.00 1.00 H new ATOM 0 HA ARG A 32 7.349 -10.284 15.843 1.00 1.00 H new ATOM 0 HB2 ARG A 32 8.042 -12.707 15.270 1.00 1.00 H new ATOM 0 HB3 ARG A 32 6.368 -12.293 14.959 1.00 1.00 H new ATOM 0 HG2 ARG A 32 6.880 -11.928 12.532 1.00 1.00 H new ATOM 0 HG3 ARG A 32 8.578 -12.252 12.822 1.00 1.00 H new ATOM 0 HD2 ARG A 32 7.445 -14.295 11.950 1.00 1.00 H new ATOM 0 HD3 ARG A 32 8.033 -14.574 13.577 1.00 1.00 H new ATOM 0 HE ARG A 32 5.311 -13.566 13.656 1.00 1.00 H new ATOM 0 HH11 ARG A 32 7.282 -16.412 12.993 1.00 1.00 H new ATOM 0 HH12 ARG A 32 5.984 -17.550 13.369 1.00 1.00 H new ATOM 0 HH21 ARG A 32 3.665 -15.047 14.132 1.00 1.00 H new ATOM 0 HH22 ARG A 32 3.958 -16.784 14.007 1.00 1.00 H new ATOM 546 N ALA A 33 9.782 -9.790 15.907 1.00 1.00 N ATOM 547 CA ALA A 33 11.215 -9.520 16.001 1.00 1.00 C ATOM 548 C ALA A 33 11.598 -9.144 17.433 1.00 1.00 C ATOM 549 O ALA A 33 10.753 -9.080 18.327 1.00 1.00 O ATOM 550 CB ALA A 33 11.618 -8.413 15.016 1.00 1.00 C ATOM 0 H ALA A 33 9.245 -9.507 16.727 1.00 1.00 H new ATOM 0 HA ALA A 33 11.757 -10.427 15.734 1.00 1.00 H new ATOM 0 HB1 ALA A 33 12.688 -8.224 15.099 1.00 1.00 H new ATOM 0 HB2 ALA A 33 11.383 -8.727 13.999 1.00 1.00 H new ATOM 0 HB3 ALA A 33 11.069 -7.501 15.250 1.00 1.00 H new ATOM 556 N TYR A 34 12.883 -8.880 17.642 1.00 1.00 N ATOM 557 CA TYR A 34 13.397 -8.518 18.967 1.00 1.00 C ATOM 558 C TYR A 34 12.926 -7.091 19.370 1.00 1.00 C ATOM 559 O TYR A 34 12.763 -6.249 18.489 1.00 1.00 O ATOM 560 CB TYR A 34 14.946 -8.587 18.939 1.00 1.00 C ATOM 561 CG TYR A 34 15.416 -10.049 18.904 1.00 1.00 C ATOM 562 CD1 TYR A 34 15.613 -10.753 20.110 1.00 1.00 C ATOM 563 CD2 TYR A 34 15.646 -10.700 17.677 1.00 1.00 C ATOM 564 CE1 TYR A 34 16.037 -12.086 20.084 1.00 1.00 C ATOM 565 CE2 TYR A 34 16.070 -12.032 17.660 1.00 1.00 C ATOM 566 CZ TYR A 34 16.265 -12.724 18.859 1.00 1.00 C ATOM 567 OH TYR A 34 16.683 -14.037 18.838 1.00 1.00 O ATOM 0 H TYR A 34 13.594 -8.909 16.911 1.00 1.00 H new ATOM 0 HA TYR A 34 13.010 -9.218 19.708 1.00 1.00 H new ATOM 0 HB2 TYR A 34 15.324 -8.056 18.066 1.00 1.00 H new ATOM 0 HB3 TYR A 34 15.355 -8.088 19.818 1.00 1.00 H new ATOM 0 HD1 TYR A 34 15.436 -10.262 21.056 1.00 1.00 H new ATOM 0 HD2 TYR A 34 15.495 -10.170 16.748 1.00 1.00 H new ATOM 0 HE1 TYR A 34 16.188 -12.623 21.009 1.00 1.00 H new ATOM 0 HE2 TYR A 34 16.248 -12.528 16.717 1.00 1.00 H new ATOM 0 HH TYR A 34 16.794 -14.330 17.909 1.00 1.00 H new ATOM 577 N PRO A 35 12.720 -6.811 20.629 1.00 1.00 N ATOM 578 CA PRO A 35 12.278 -5.441 21.076 1.00 1.00 C ATOM 579 C PRO A 35 13.395 -4.391 20.930 1.00 1.00 C ATOM 580 O PRO A 35 13.125 -3.196 20.811 1.00 1.00 O ATOM 581 CB PRO A 35 11.872 -5.659 22.561 1.00 1.00 C ATOM 582 CG PRO A 35 12.761 -6.782 23.015 1.00 1.00 C ATOM 583 CD PRO A 35 12.869 -7.723 21.802 1.00 1.00 C ATOM 0 HA PRO A 35 11.463 -5.046 20.470 1.00 1.00 H new ATOM 0 HB2 PRO A 35 12.030 -4.759 23.155 1.00 1.00 H new ATOM 0 HB3 PRO A 35 10.818 -5.921 22.653 1.00 1.00 H new ATOM 0 HG2 PRO A 35 13.741 -6.412 23.315 1.00 1.00 H new ATOM 0 HG3 PRO A 35 12.337 -7.297 23.877 1.00 1.00 H new ATOM 0 HD2 PRO A 35 13.826 -8.244 21.784 1.00 1.00 H new ATOM 0 HD3 PRO A 35 12.091 -8.486 21.817 1.00 1.00 H new ATOM 591 N GLU A 36 14.643 -4.846 20.964 1.00 1.00 N ATOM 592 CA GLU A 36 15.806 -3.949 20.855 1.00 1.00 C ATOM 593 C GLU A 36 15.826 -3.239 19.488 1.00 1.00 C ATOM 594 O GLU A 36 16.135 -2.051 19.384 1.00 1.00 O ATOM 595 CB GLU A 36 17.108 -4.785 21.092 1.00 1.00 C ATOM 596 CG GLU A 36 17.520 -5.599 19.828 1.00 1.00 C ATOM 597 CD GLU A 36 18.539 -6.688 20.177 1.00 1.00 C ATOM 598 OE1 GLU A 36 18.114 -7.759 20.579 1.00 1.00 O ATOM 599 OE2 GLU A 36 19.724 -6.434 20.036 1.00 1.00 O ATOM 0 H GLU A 36 14.884 -5.832 21.066 1.00 1.00 H new ATOM 0 HA GLU A 36 15.743 -3.168 21.613 1.00 1.00 H new ATOM 0 HB2 GLU A 36 17.922 -4.116 21.373 1.00 1.00 H new ATOM 0 HB3 GLU A 36 16.953 -5.467 21.928 1.00 1.00 H new ATOM 0 HG2 GLU A 36 16.636 -6.054 19.382 1.00 1.00 H new ATOM 0 HG3 GLU A 36 17.944 -4.927 19.082 1.00 1.00 H new ATOM 606 N ILE A 37 15.490 -3.975 18.433 1.00 1.00 N ATOM 607 CA ILE A 37 15.472 -3.390 17.065 1.00 1.00 C ATOM 608 C ILE A 37 14.122 -2.730 16.793 1.00 1.00 C ATOM 609 O ILE A 37 14.041 -1.717 16.096 1.00 1.00 O ATOM 610 CB ILE A 37 15.808 -4.456 15.973 1.00 1.00 C ATOM 611 CG1 ILE A 37 14.730 -5.585 15.949 1.00 1.00 C ATOM 612 CG2 ILE A 37 17.224 -5.069 16.238 1.00 1.00 C ATOM 613 CD1 ILE A 37 15.056 -6.713 14.925 1.00 1.00 C ATOM 0 H ILE A 37 15.229 -4.960 18.479 1.00 1.00 H new ATOM 0 HA ILE A 37 16.250 -2.628 17.015 1.00 1.00 H new ATOM 0 HB ILE A 37 15.809 -3.963 15.001 1.00 1.00 H new ATOM 0 HG12 ILE A 37 14.644 -6.019 16.945 1.00 1.00 H new ATOM 0 HG13 ILE A 37 13.761 -5.150 15.706 1.00 1.00 H new ATOM 0 HG21 ILE A 37 17.449 -5.811 15.472 1.00 1.00 H new ATOM 0 HG22 ILE A 37 17.974 -4.279 16.209 1.00 1.00 H new ATOM 0 HG23 ILE A 37 17.237 -5.545 17.218 1.00 1.00 H new ATOM 0 HD11 ILE A 37 14.271 -7.469 14.954 1.00 1.00 H new ATOM 0 HD12 ILE A 37 15.114 -6.289 13.923 1.00 1.00 H new ATOM 0 HD13 ILE A 37 16.011 -7.172 15.181 1.00 1.00 H new ATOM 625 N LEU A 38 13.056 -3.299 17.345 1.00 1.00 N ATOM 626 CA LEU A 38 11.703 -2.723 17.130 1.00 1.00 C ATOM 627 C LEU A 38 11.601 -1.365 17.837 1.00 1.00 C ATOM 628 O LEU A 38 10.946 -0.440 17.356 1.00 1.00 O ATOM 629 CB LEU A 38 10.603 -3.690 17.647 1.00 1.00 C ATOM 630 CG LEU A 38 10.342 -4.898 16.666 1.00 1.00 C ATOM 631 CD1 LEU A 38 9.596 -6.032 17.425 1.00 1.00 C ATOM 632 CD2 LEU A 38 9.482 -4.453 15.445 1.00 1.00 C ATOM 0 H LEU A 38 13.082 -4.134 17.930 1.00 1.00 H new ATOM 0 HA LEU A 38 11.548 -2.580 16.061 1.00 1.00 H new ATOM 0 HB2 LEU A 38 10.895 -4.077 18.623 1.00 1.00 H new ATOM 0 HB3 LEU A 38 9.675 -3.136 17.789 1.00 1.00 H new ATOM 0 HG LEU A 38 11.305 -5.256 16.303 1.00 1.00 H new ATOM 0 HD11 LEU A 38 9.416 -6.866 16.747 1.00 1.00 H new ATOM 0 HD12 LEU A 38 10.205 -6.371 18.263 1.00 1.00 H new ATOM 0 HD13 LEU A 38 8.644 -5.655 17.798 1.00 1.00 H new ATOM 0 HD21 LEU A 38 9.318 -5.305 14.786 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.522 -4.075 15.795 1.00 1.00 H new ATOM 0 HD23 LEU A 38 10.004 -3.667 14.899 1.00 1.00 H new ATOM 644 N ASN A 39 12.258 -1.254 18.988 1.00 1.00 N ATOM 645 CA ASN A 39 12.248 -0.015 19.780 1.00 1.00 C ATOM 646 C ASN A 39 13.220 1.000 19.183 1.00 1.00 C ATOM 647 O ASN A 39 13.243 2.170 19.563 1.00 1.00 O ATOM 648 CB ASN A 39 12.654 -0.348 21.231 1.00 1.00 C ATOM 649 CG ASN A 39 12.559 0.892 22.128 1.00 1.00 C ATOM 650 OD1 ASN A 39 11.520 1.552 22.163 1.00 1.00 O ATOM 651 ND2 ASN A 39 13.587 1.248 22.850 1.00 1.00 N ATOM 0 H ASN A 39 12.808 -2.008 19.400 1.00 1.00 H new ATOM 0 HA ASN A 39 11.248 0.419 19.768 1.00 1.00 H new ATOM 0 HB2 ASN A 39 12.008 -1.134 21.622 1.00 1.00 H new ATOM 0 HB3 ASN A 39 13.673 -0.736 21.247 1.00 1.00 H new ATOM 0 HD21 ASN A 39 13.531 2.075 23.445 1.00 1.00 H new ATOM 0 HD22 ASN A 39 14.446 0.699 22.819 1.00 1.00 H new ATOM 658 N ASN A 40 14.046 0.539 18.249 1.00 1.00 N ATOM 659 CA ASN A 40 15.054 1.393 17.583 1.00 1.00 C ATOM 660 C ASN A 40 14.619 1.734 16.158 1.00 1.00 C ATOM 661 O ASN A 40 14.877 2.835 15.674 1.00 1.00 O ATOM 662 CB ASN A 40 16.409 0.649 17.556 1.00 1.00 C ATOM 663 CG ASN A 40 17.529 1.557 17.039 1.00 1.00 C ATOM 664 OD1 ASN A 40 17.454 2.777 17.179 1.00 1.00 O ATOM 665 ND2 ASN A 40 18.564 1.026 16.452 1.00 1.00 N ATOM 0 H ASN A 40 14.045 -0.429 17.926 1.00 1.00 H new ATOM 0 HA ASN A 40 15.154 2.325 18.140 1.00 1.00 H new ATOM 0 HB2 ASN A 40 16.655 0.299 18.559 1.00 1.00 H new ATOM 0 HB3 ASN A 40 16.330 -0.233 16.921 1.00 1.00 H new ATOM 0 HD21 ASN A 40 19.316 1.622 16.107 1.00 1.00 H new ATOM 0 HD22 ASN A 40 18.622 0.014 16.338 1.00 1.00 H new ATOM 672 N LEU A 41 13.976 0.790 15.480 1.00 1.00 N ATOM 673 CA LEU A 41 13.525 0.978 14.096 1.00 1.00 C ATOM 674 C LEU A 41 12.407 2.017 14.060 1.00 1.00 C ATOM 675 O LEU A 41 11.560 2.095 14.951 1.00 1.00 O ATOM 676 CB LEU A 41 13.029 -0.394 13.470 1.00 1.00 C ATOM 677 CG LEU A 41 13.699 -0.700 12.094 1.00 1.00 C ATOM 678 CD1 LEU A 41 13.323 -2.118 11.632 1.00 1.00 C ATOM 679 CD2 LEU A 41 13.261 0.338 11.038 1.00 1.00 C ATOM 0 H LEU A 41 13.751 -0.126 15.868 1.00 1.00 H new ATOM 0 HA LEU A 41 14.365 1.333 13.498 1.00 1.00 H new ATOM 0 HB2 LEU A 41 13.246 -1.206 14.164 1.00 1.00 H new ATOM 0 HB3 LEU A 41 11.947 -0.362 13.344 1.00 1.00 H new ATOM 0 HG LEU A 41 14.781 -0.639 12.210 1.00 1.00 H new ATOM 0 HD11 LEU A 41 13.794 -2.324 10.671 1.00 1.00 H new ATOM 0 HD12 LEU A 41 13.667 -2.844 12.369 1.00 1.00 H new ATOM 0 HD13 LEU A 41 12.240 -2.192 11.529 1.00 1.00 H new ATOM 0 HD21 LEU A 41 13.737 0.110 10.084 1.00 1.00 H new ATOM 0 HD22 LEU A 41 12.178 0.303 10.920 1.00 1.00 H new ATOM 0 HD23 LEU A 41 13.558 1.335 11.363 1.00 1.00 H new ATOM 691 N THR A 42 12.404 2.840 13.017 1.00 1.00 N ATOM 692 CA THR A 42 11.387 3.886 12.832 1.00 1.00 C ATOM 693 C THR A 42 10.566 3.585 11.580 1.00 1.00 C ATOM 694 O THR A 42 10.927 2.756 10.745 1.00 1.00 O ATOM 695 CB THR A 42 12.063 5.268 12.711 1.00 1.00 C ATOM 696 OG1 THR A 42 11.098 6.222 12.294 1.00 1.00 O ATOM 697 CG2 THR A 42 13.205 5.222 11.689 1.00 1.00 C ATOM 0 H THR A 42 13.102 2.807 12.274 1.00 1.00 H new ATOM 0 HA THR A 42 10.724 3.900 13.697 1.00 1.00 H new ATOM 0 HB THR A 42 12.473 5.547 13.681 1.00 1.00 H new ATOM 0 HG1 THR A 42 11.521 7.103 12.217 1.00 1.00 H new ATOM 0 HG21 THR A 42 13.669 6.206 11.618 1.00 1.00 H new ATOM 0 HG22 THR A 42 13.949 4.492 12.007 1.00 1.00 H new ATOM 0 HG23 THR A 42 12.810 4.936 10.714 1.00 1.00 H new ATOM 705 N LYS A 43 9.432 4.265 11.459 1.00 1.00 N ATOM 706 CA LYS A 43 8.532 4.072 10.317 1.00 1.00 C ATOM 707 C LYS A 43 9.155 4.599 9.025 1.00 1.00 C ATOM 708 O LYS A 43 8.933 4.051 7.945 1.00 1.00 O ATOM 709 CB LYS A 43 7.197 4.789 10.602 1.00 1.00 C ATOM 710 CG LYS A 43 6.496 4.179 11.896 1.00 1.00 C ATOM 711 CD LYS A 43 6.058 5.293 12.901 1.00 1.00 C ATOM 712 CE LYS A 43 7.266 5.831 13.698 1.00 1.00 C ATOM 713 NZ LYS A 43 7.825 4.734 14.532 1.00 1.00 N ATOM 0 H LYS A 43 9.109 4.957 12.136 1.00 1.00 H new ATOM 0 HA LYS A 43 8.356 3.005 10.183 1.00 1.00 H new ATOM 0 HB2 LYS A 43 7.374 5.855 10.747 1.00 1.00 H new ATOM 0 HB3 LYS A 43 6.534 4.690 9.742 1.00 1.00 H new ATOM 0 HG2 LYS A 43 5.624 3.597 11.596 1.00 1.00 H new ATOM 0 HG3 LYS A 43 7.183 3.493 12.391 1.00 1.00 H new ATOM 0 HD2 LYS A 43 5.584 6.111 12.358 1.00 1.00 H new ATOM 0 HD3 LYS A 43 5.313 4.893 13.589 1.00 1.00 H new ATOM 0 HE2 LYS A 43 8.027 6.211 13.017 1.00 1.00 H new ATOM 0 HE3 LYS A 43 6.959 6.665 14.330 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 8.308 5.139 15.359 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 7.054 4.113 14.851 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 8.504 4.182 13.970 1.00 1.00 H new ATOM 727 N GLU A 44 9.921 5.682 9.122 1.00 1.00 N ATOM 728 CA GLU A 44 10.561 6.313 7.965 1.00 1.00 C ATOM 729 C GLU A 44 11.529 5.349 7.271 1.00 1.00 C ATOM 730 O GLU A 44 11.865 5.525 6.101 1.00 1.00 O ATOM 731 CB GLU A 44 11.320 7.578 8.427 1.00 1.00 C ATOM 732 CG GLU A 44 10.358 8.567 9.130 1.00 1.00 C ATOM 733 CD GLU A 44 9.280 9.079 8.172 1.00 1.00 C ATOM 734 OE1 GLU A 44 9.563 9.176 6.987 1.00 1.00 O ATOM 735 OE2 GLU A 44 8.190 9.366 8.637 1.00 1.00 O ATOM 0 H GLU A 44 10.118 6.150 10.007 1.00 1.00 H new ATOM 0 HA GLU A 44 9.787 6.586 7.248 1.00 1.00 H new ATOM 0 HB2 GLU A 44 12.123 7.298 9.108 1.00 1.00 H new ATOM 0 HB3 GLU A 44 11.785 8.063 7.569 1.00 1.00 H new ATOM 0 HG2 GLU A 44 9.886 8.075 9.980 1.00 1.00 H new ATOM 0 HG3 GLU A 44 10.926 9.410 9.524 1.00 1.00 H new ATOM 742 N GLN A 45 11.972 4.318 7.983 1.00 1.00 N ATOM 743 CA GLN A 45 12.909 3.318 7.430 1.00 1.00 C ATOM 744 C GLN A 45 12.153 2.253 6.637 1.00 1.00 C ATOM 745 O GLN A 45 12.657 1.756 5.631 1.00 1.00 O ATOM 746 CB GLN A 45 13.719 2.651 8.579 1.00 1.00 C ATOM 747 CG GLN A 45 14.971 3.482 8.963 1.00 1.00 C ATOM 748 CD GLN A 45 15.716 2.821 10.126 1.00 1.00 C ATOM 749 OE1 GLN A 45 15.916 1.606 10.120 1.00 1.00 O ATOM 750 NE2 GLN A 45 16.144 3.550 11.118 1.00 1.00 N ATOM 0 H GLN A 45 11.701 4.143 8.951 1.00 1.00 H new ATOM 0 HA GLN A 45 13.599 3.827 6.757 1.00 1.00 H new ATOM 0 HB2 GLN A 45 13.079 2.534 9.454 1.00 1.00 H new ATOM 0 HB3 GLN A 45 14.027 1.651 8.273 1.00 1.00 H new ATOM 0 HG2 GLN A 45 15.634 3.571 8.102 1.00 1.00 H new ATOM 0 HG3 GLN A 45 14.673 4.493 9.242 1.00 1.00 H new ATOM 0 HE21 GLN A 45 15.977 4.556 11.121 1.00 1.00 H new ATOM 0 HE22 GLN A 45 16.646 3.114 11.892 1.00 1.00 H new ATOM 759 N ILE A 46 10.952 1.899 7.081 1.00 1.00 N ATOM 760 CA ILE A 46 10.157 0.866 6.417 1.00 1.00 C ATOM 761 C ILE A 46 9.672 1.364 5.052 1.00 1.00 C ATOM 762 O ILE A 46 9.099 2.449 4.934 1.00 1.00 O ATOM 763 CB ILE A 46 8.934 0.479 7.311 1.00 1.00 C ATOM 764 CG1 ILE A 46 9.383 0.282 8.795 1.00 1.00 C ATOM 765 CG2 ILE A 46 8.274 -0.820 6.787 1.00 1.00 C ATOM 766 CD1 ILE A 46 10.540 -0.729 8.940 1.00 1.00 C ATOM 0 H ILE A 46 10.505 2.312 7.900 1.00 1.00 H new ATOM 0 HA ILE A 46 10.781 -0.015 6.266 1.00 1.00 H new ATOM 0 HB ILE A 46 8.207 1.290 7.267 1.00 1.00 H new ATOM 0 HG12 ILE A 46 9.692 1.243 9.207 1.00 1.00 H new ATOM 0 HG13 ILE A 46 8.532 -0.059 9.385 1.00 1.00 H new ATOM 0 HG21 ILE A 46 7.424 -1.077 7.419 1.00 1.00 H new ATOM 0 HG22 ILE A 46 7.932 -0.667 5.764 1.00 1.00 H new ATOM 0 HG23 ILE A 46 9.001 -1.632 6.809 1.00 1.00 H new ATOM 0 HD11 ILE A 46 10.809 -0.825 9.992 1.00 1.00 H new ATOM 0 HD12 ILE A 46 10.226 -1.699 8.556 1.00 1.00 H new ATOM 0 HD13 ILE A 46 11.403 -0.377 8.375 1.00 1.00 H new ATOM 778 N SER A 47 9.892 0.569 4.010 1.00 1.00 N ATOM 779 CA SER A 47 9.474 0.916 2.645 1.00 1.00 C ATOM 780 C SER A 47 8.122 0.273 2.335 1.00 1.00 C ATOM 781 O SER A 47 8.017 -0.941 2.163 1.00 1.00 O ATOM 782 CB SER A 47 10.523 0.414 1.651 1.00 1.00 C ATOM 783 OG SER A 47 10.217 0.922 0.362 1.00 1.00 O ATOM 0 H SER A 47 10.363 -0.333 4.081 1.00 1.00 H new ATOM 0 HA SER A 47 9.380 1.999 2.561 1.00 1.00 H new ATOM 0 HB2 SER A 47 11.518 0.738 1.957 1.00 1.00 H new ATOM 0 HB3 SER A 47 10.534 -0.676 1.633 1.00 1.00 H new ATOM 0 HG SER A 47 9.419 0.472 0.014 1.00 1.00 H new ATOM 789 N LEU A 48 7.079 1.094 2.258 1.00 1.00 N ATOM 790 CA LEU A 48 5.703 0.594 1.967 1.00 1.00 C ATOM 791 C LEU A 48 5.071 1.377 0.811 1.00 1.00 C ATOM 792 O LEU A 48 4.854 2.586 0.903 1.00 1.00 O ATOM 793 CB LEU A 48 4.800 0.705 3.270 1.00 1.00 C ATOM 794 CG LEU A 48 4.305 -0.694 3.797 1.00 1.00 C ATOM 795 CD1 LEU A 48 3.236 -1.266 2.846 1.00 1.00 C ATOM 796 CD2 LEU A 48 5.492 -1.710 3.974 1.00 1.00 C ATOM 0 H LEU A 48 7.140 2.104 2.389 1.00 1.00 H new ATOM 0 HA LEU A 48 5.770 -0.452 1.669 1.00 1.00 H new ATOM 0 HB2 LEU A 48 5.367 1.204 4.057 1.00 1.00 H new ATOM 0 HB3 LEU A 48 3.935 1.332 3.054 1.00 1.00 H new ATOM 0 HG LEU A 48 3.864 -0.543 4.782 1.00 1.00 H new ATOM 0 HD11 LEU A 48 2.899 -2.234 3.218 1.00 1.00 H new ATOM 0 HD12 LEU A 48 2.389 -0.581 2.796 1.00 1.00 H new ATOM 0 HD13 LEU A 48 3.663 -1.388 1.850 1.00 1.00 H new ATOM 0 HD21 LEU A 48 5.105 -2.661 4.339 1.00 1.00 H new ATOM 0 HD22 LEU A 48 5.986 -1.863 3.014 1.00 1.00 H new ATOM 0 HD23 LEU A 48 6.209 -1.311 4.691 1.00 1.00 H new ATOM 808 N TRP A 49 4.748 0.673 -0.268 1.00 1.00 N ATOM 809 CA TRP A 49 4.117 1.279 -1.433 1.00 1.00 C ATOM 810 C TRP A 49 3.399 0.199 -2.250 1.00 1.00 C ATOM 811 O TRP A 49 3.347 -0.969 -1.863 1.00 1.00 O ATOM 812 CB TRP A 49 5.182 2.031 -2.275 1.00 1.00 C ATOM 813 CG TRP A 49 6.007 1.058 -3.084 1.00 1.00 C ATOM 814 CD1 TRP A 49 5.862 0.834 -4.408 1.00 1.00 C ATOM 815 CD2 TRP A 49 7.058 0.160 -2.635 1.00 1.00 C ATOM 816 NE1 TRP A 49 6.772 -0.120 -4.810 1.00 1.00 N ATOM 817 CE2 TRP A 49 7.531 -0.572 -3.751 1.00 1.00 C ATOM 818 CE3 TRP A 49 7.646 -0.084 -1.385 1.00 1.00 C ATOM 819 CZ2 TRP A 49 8.551 -1.513 -3.629 1.00 1.00 C ATOM 820 CZ3 TRP A 49 8.672 -1.034 -1.258 1.00 1.00 C ATOM 821 CH2 TRP A 49 9.125 -1.747 -2.376 1.00 1.00 C ATOM 0 H TRP A 49 4.915 -0.329 -0.359 1.00 1.00 H new ATOM 0 HA TRP A 49 3.371 2.008 -1.117 1.00 1.00 H new ATOM 0 HB2 TRP A 49 4.691 2.741 -2.941 1.00 1.00 H new ATOM 0 HB3 TRP A 49 5.832 2.608 -1.617 1.00 1.00 H new ATOM 0 HD1 TRP A 49 5.146 1.325 -5.050 1.00 1.00 H new ATOM 0 HE1 TRP A 49 6.872 -0.450 -5.770 1.00 1.00 H new ATOM 0 HE3 TRP A 49 7.308 0.461 -0.516 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 8.896 -2.057 -4.496 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 9.116 -1.217 -0.291 1.00 1.00 H new ATOM 0 HH2 TRP A 49 9.915 -2.475 -2.270 1.00 1.00 H new ATOM 832 N ILE A 50 2.835 0.595 -3.386 1.00 1.00 N ATOM 833 CA ILE A 50 2.098 -0.336 -4.275 1.00 1.00 C ATOM 834 C ILE A 50 2.353 0.031 -5.737 1.00 1.00 C ATOM 835 O ILE A 50 2.783 1.137 -6.071 1.00 1.00 O ATOM 836 CB ILE A 50 0.558 -0.287 -3.978 1.00 1.00 C ATOM 837 CG1 ILE A 50 0.299 -0.622 -2.474 1.00 1.00 C ATOM 838 CG2 ILE A 50 -0.212 -1.311 -4.898 1.00 1.00 C ATOM 839 CD1 ILE A 50 -1.173 -0.406 -2.112 1.00 1.00 C ATOM 0 H ILE A 50 2.867 1.556 -3.726 1.00 1.00 H new ATOM 0 HA ILE A 50 2.456 -1.348 -4.086 1.00 1.00 H new ATOM 0 HB ILE A 50 0.191 0.717 -4.191 1.00 1.00 H new ATOM 0 HG12 ILE A 50 0.579 -1.656 -2.274 1.00 1.00 H new ATOM 0 HG13 ILE A 50 0.929 0.006 -1.844 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -1.279 -1.265 -4.680 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -0.044 -1.057 -5.945 1.00 1.00 H new ATOM 0 HG23 ILE A 50 0.154 -2.319 -4.706 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -1.328 -0.646 -1.060 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -1.443 0.635 -2.290 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -1.798 -1.053 -2.728 1.00 1.00 H new ATOM 851 N ASP A 51 2.065 -0.920 -6.621 1.00 1.00 N ATOM 852 CA ASP A 51 2.242 -0.740 -8.077 1.00 1.00 C ATOM 853 C ASP A 51 0.884 -0.747 -8.802 1.00 1.00 C ATOM 854 O ASP A 51 0.277 -1.802 -8.982 1.00 1.00 O ATOM 855 CB ASP A 51 3.127 -1.893 -8.600 1.00 1.00 C ATOM 856 CG ASP A 51 2.473 -3.251 -8.329 1.00 1.00 C ATOM 857 OD1 ASP A 51 1.873 -3.396 -7.277 1.00 1.00 O ATOM 858 OD2 ASP A 51 2.579 -4.120 -9.178 1.00 1.00 O ATOM 0 H ASP A 51 1.703 -1.837 -6.360 1.00 1.00 H new ATOM 0 HA ASP A 51 2.715 0.223 -8.271 1.00 1.00 H new ATOM 0 HB2 ASP A 51 3.293 -1.772 -9.670 1.00 1.00 H new ATOM 0 HB3 ASP A 51 4.104 -1.853 -8.119 1.00 1.00 H new ATOM 863 N ALA A 52 0.424 0.423 -9.237 1.00 1.00 N ATOM 864 CA ALA A 52 -0.857 0.534 -9.952 1.00 1.00 C ATOM 865 C ALA A 52 -0.650 0.299 -11.445 1.00 1.00 C ATOM 866 O ALA A 52 -1.602 0.334 -12.227 1.00 1.00 O ATOM 867 CB ALA A 52 -1.470 1.921 -9.695 1.00 1.00 C ATOM 0 H ALA A 52 0.913 1.309 -9.110 1.00 1.00 H new ATOM 0 HA ALA A 52 -1.545 -0.227 -9.583 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -2.419 2.003 -10.225 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -1.639 2.052 -8.626 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -0.787 2.692 -10.052 1.00 1.00 H new ATOM 873 N THR A 53 0.588 0.038 -11.849 1.00 1.00 N ATOM 874 CA THR A 53 0.903 -0.227 -13.257 1.00 1.00 C ATOM 875 C THR A 53 0.325 -1.577 -13.640 1.00 1.00 C ATOM 876 O THR A 53 -0.010 -2.399 -12.787 1.00 1.00 O ATOM 877 CB THR A 53 2.441 -0.215 -13.516 1.00 1.00 C ATOM 878 OG1 THR A 53 2.740 -0.960 -14.692 1.00 1.00 O ATOM 879 CG2 THR A 53 3.208 -0.831 -12.330 1.00 1.00 C ATOM 0 H THR A 53 1.394 0.003 -11.225 1.00 1.00 H new ATOM 0 HA THR A 53 0.463 0.562 -13.867 1.00 1.00 H new ATOM 0 HB THR A 53 2.751 0.823 -13.638 1.00 1.00 H new ATOM 0 HG1 THR A 53 3.707 -0.947 -14.850 1.00 1.00 H new ATOM 0 HG21 THR A 53 4.278 -0.810 -12.538 1.00 1.00 H new ATOM 0 HG22 THR A 53 3.002 -0.257 -11.426 1.00 1.00 H new ATOM 0 HG23 THR A 53 2.887 -1.863 -12.186 1.00 1.00 H new ATOM 887 N GLY A 54 0.214 -1.817 -14.943 1.00 1.00 N ATOM 888 CA GLY A 54 -0.350 -3.074 -15.455 1.00 1.00 C ATOM 889 C GLY A 54 -1.851 -3.187 -15.120 1.00 1.00 C ATOM 890 O GLY A 54 -2.658 -3.580 -15.965 1.00 1.00 O ATOM 0 H GLY A 54 0.505 -1.161 -15.668 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -0.211 -3.125 -16.535 1.00 1.00 H new ATOM 0 HA3 GLY A 54 0.187 -3.919 -15.024 1.00 1.00 H new ATOM 894 N LYS A 55 -2.212 -2.843 -13.890 1.00 1.00 N ATOM 895 CA LYS A 55 -3.605 -2.919 -13.430 1.00 1.00 C ATOM 896 C LYS A 55 -4.504 -2.068 -14.333 1.00 1.00 C ATOM 897 O LYS A 55 -4.053 -1.133 -14.991 1.00 1.00 O ATOM 898 CB LYS A 55 -3.718 -2.435 -11.944 1.00 1.00 C ATOM 899 CG LYS A 55 -3.342 -3.556 -10.926 1.00 1.00 C ATOM 900 CD LYS A 55 -1.831 -3.877 -10.992 1.00 1.00 C ATOM 901 CE LYS A 55 -1.482 -4.982 -9.983 1.00 1.00 C ATOM 902 NZ LYS A 55 -2.240 -6.214 -10.338 1.00 1.00 N ATOM 0 H LYS A 55 -1.558 -2.505 -13.184 1.00 1.00 H new ATOM 0 HA LYS A 55 -3.933 -3.957 -13.482 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -3.064 -1.576 -11.793 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -4.736 -2.098 -11.750 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -3.607 -3.240 -9.917 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -3.919 -4.456 -11.140 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -1.562 -4.195 -11.999 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -1.251 -2.980 -10.776 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -0.410 -5.181 -9.997 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -1.733 -4.663 -8.972 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -1.813 -7.034 -9.862 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -3.229 -6.113 -10.033 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -2.208 -6.356 -11.368 1.00 1.00 H new ATOM 916 N ALA A 56 -5.787 -2.414 -14.360 1.00 1.00 N ATOM 917 CA ALA A 56 -6.799 -1.716 -15.172 1.00 1.00 C ATOM 918 C ALA A 56 -7.911 -1.186 -14.272 1.00 1.00 C ATOM 919 O ALA A 56 -7.935 -1.407 -13.063 1.00 1.00 O ATOM 920 CB ALA A 56 -7.384 -2.699 -16.203 1.00 1.00 C ATOM 0 H ALA A 56 -6.165 -3.191 -13.818 1.00 1.00 H new ATOM 0 HA ALA A 56 -6.336 -0.876 -15.690 1.00 1.00 H new ATOM 0 HB1 ALA A 56 -8.134 -2.189 -16.807 1.00 1.00 H new ATOM 0 HB2 ALA A 56 -6.586 -3.067 -16.849 1.00 1.00 H new ATOM 0 HB3 ALA A 56 -7.846 -3.538 -15.684 1.00 1.00 H new ATOM 926 N VAL A 57 -8.842 -0.457 -14.881 1.00 1.00 N ATOM 927 CA VAL A 57 -9.971 0.128 -14.172 1.00 1.00 C ATOM 928 C VAL A 57 -10.828 -0.976 -13.546 1.00 1.00 C ATOM 929 O VAL A 57 -11.031 -2.047 -14.120 1.00 1.00 O ATOM 930 CB VAL A 57 -10.835 0.974 -15.155 1.00 1.00 C ATOM 931 CG1 VAL A 57 -11.874 1.810 -14.367 1.00 1.00 C ATOM 932 CG2 VAL A 57 -9.924 1.924 -15.969 1.00 1.00 C ATOM 0 H VAL A 57 -8.833 -0.256 -15.881 1.00 1.00 H new ATOM 0 HA VAL A 57 -9.593 0.775 -13.381 1.00 1.00 H new ATOM 0 HB VAL A 57 -11.357 0.299 -15.833 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -12.472 2.397 -15.064 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -12.525 1.143 -13.803 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -11.357 2.479 -13.680 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -10.533 2.513 -16.655 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -9.394 2.591 -15.289 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -9.202 1.337 -16.537 1.00 1.00 H new ATOM 942 N GLY A 58 -11.344 -0.708 -12.351 1.00 1.00 N ATOM 943 CA GLY A 58 -12.196 -1.653 -11.609 1.00 1.00 C ATOM 944 C GLY A 58 -11.570 -1.979 -10.274 1.00 1.00 C ATOM 945 O GLY A 58 -10.500 -1.478 -9.932 1.00 1.00 O ATOM 0 H GLY A 58 -11.187 0.173 -11.861 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -13.186 -1.222 -11.460 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -12.330 -2.566 -12.189 1.00 1.00 H new ATOM 949 N GLU A 59 -12.248 -2.828 -9.509 1.00 1.00 N ATOM 950 CA GLU A 59 -11.771 -3.233 -8.173 1.00 1.00 C ATOM 951 C GLU A 59 -11.043 -4.592 -8.211 1.00 1.00 C ATOM 952 O GLU A 59 -11.558 -5.589 -8.719 1.00 1.00 O ATOM 953 CB GLU A 59 -12.966 -3.277 -7.183 1.00 1.00 C ATOM 954 CG GLU A 59 -14.098 -4.179 -7.721 1.00 1.00 C ATOM 955 CD GLU A 59 -15.282 -4.181 -6.752 1.00 1.00 C ATOM 956 OE1 GLU A 59 -16.031 -3.218 -6.767 1.00 1.00 O ATOM 957 OE2 GLU A 59 -15.421 -5.143 -6.015 1.00 1.00 O ATOM 0 H GLU A 59 -13.133 -3.255 -9.784 1.00 1.00 H new ATOM 0 HA GLU A 59 -11.047 -2.493 -7.832 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -12.628 -3.649 -6.216 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -13.346 -2.268 -7.021 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -14.421 -3.824 -8.700 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -13.729 -5.196 -7.857 1.00 1.00 H new ATOM 964 N HIS A 60 -9.839 -4.603 -7.648 1.00 1.00 N ATOM 965 CA HIS A 60 -9.016 -5.813 -7.592 1.00 1.00 C ATOM 966 C HIS A 60 -8.217 -5.847 -6.298 1.00 1.00 C ATOM 967 O HIS A 60 -7.873 -4.819 -5.714 1.00 1.00 O ATOM 968 CB HIS A 60 -8.067 -5.845 -8.805 1.00 1.00 C ATOM 969 CG HIS A 60 -8.879 -5.806 -10.070 1.00 1.00 C ATOM 970 ND1 HIS A 60 -9.165 -4.619 -10.727 1.00 1.00 N ATOM 971 CD2 HIS A 60 -9.489 -6.795 -10.801 1.00 1.00 C ATOM 972 CE1 HIS A 60 -9.920 -4.922 -11.799 1.00 1.00 C ATOM 973 NE2 HIS A 60 -10.149 -6.235 -11.890 1.00 1.00 N ATOM 0 H HIS A 60 -9.407 -3.784 -7.221 1.00 1.00 H new ATOM 0 HA HIS A 60 -9.664 -6.689 -7.620 1.00 1.00 H new ATOM 0 HB2 HIS A 60 -7.385 -4.996 -8.770 1.00 1.00 H new ATOM 0 HB3 HIS A 60 -7.455 -6.747 -8.779 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -9.461 -7.849 -10.566 1.00 1.00 H new ATOM 0 HE1 HIS A 60 -10.295 -4.192 -12.501 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -10.691 -6.722 -12.604 1.00 1.00 H new ATOM 982 N THR A 61 -7.905 -7.056 -5.844 1.00 1.00 N ATOM 983 CA THR A 61 -7.124 -7.280 -4.612 1.00 1.00 C ATOM 984 C THR A 61 -5.751 -7.856 -4.967 1.00 1.00 C ATOM 985 O THR A 61 -5.655 -8.796 -5.757 1.00 1.00 O ATOM 986 CB THR A 61 -7.890 -8.244 -3.678 1.00 1.00 C ATOM 987 OG1 THR A 61 -9.194 -7.723 -3.457 1.00 1.00 O ATOM 988 CG2 THR A 61 -7.174 -8.376 -2.320 1.00 1.00 C ATOM 0 H THR A 61 -8.183 -7.917 -6.315 1.00 1.00 H new ATOM 0 HA THR A 61 -6.981 -6.331 -4.095 1.00 1.00 H new ATOM 0 HB THR A 61 -7.937 -9.227 -4.148 1.00 1.00 H new ATOM 0 HG1 THR A 61 -9.692 -8.326 -2.867 1.00 1.00 H new ATOM 0 HG21 THR A 61 -7.732 -9.059 -1.680 1.00 1.00 H new ATOM 0 HG22 THR A 61 -6.167 -8.764 -2.476 1.00 1.00 H new ATOM 0 HG23 THR A 61 -7.116 -7.398 -1.843 1.00 1.00 H new ATOM 996 N VAL A 62 -4.687 -7.300 -4.395 1.00 1.00 N ATOM 997 CA VAL A 62 -3.307 -7.754 -4.688 1.00 1.00 C ATOM 998 C VAL A 62 -2.428 -7.696 -3.446 1.00 1.00 C ATOM 999 O VAL A 62 -2.842 -7.282 -2.363 1.00 1.00 O ATOM 1000 CB VAL A 62 -2.686 -6.881 -5.821 1.00 1.00 C ATOM 1001 CG1 VAL A 62 -3.494 -7.051 -7.135 1.00 1.00 C ATOM 1002 CG2 VAL A 62 -2.677 -5.384 -5.406 1.00 1.00 C ATOM 0 H VAL A 62 -4.741 -6.534 -3.724 1.00 1.00 H new ATOM 0 HA VAL A 62 -3.358 -8.792 -5.017 1.00 1.00 H new ATOM 0 HB VAL A 62 -1.661 -7.211 -5.986 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -3.050 -6.436 -7.918 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -3.475 -8.097 -7.441 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -4.526 -6.740 -6.971 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -2.241 -4.787 -6.207 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -3.698 -5.052 -5.221 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -2.086 -5.262 -4.499 1.00 1.00 H new ATOM 1012 N LYS A 63 -1.181 -8.127 -3.614 1.00 1.00 N ATOM 1013 CA LYS A 63 -0.200 -8.147 -2.523 1.00 1.00 C ATOM 1014 C LYS A 63 0.587 -6.832 -2.476 1.00 1.00 C ATOM 1015 O LYS A 63 0.834 -6.158 -3.477 1.00 1.00 O ATOM 1016 CB LYS A 63 0.770 -9.336 -2.716 1.00 1.00 C ATOM 1017 CG LYS A 63 -0.020 -10.678 -2.725 1.00 1.00 C ATOM 1018 CD LYS A 63 0.945 -11.893 -2.695 1.00 1.00 C ATOM 1019 CE LYS A 63 1.842 -11.946 -3.955 1.00 1.00 C ATOM 1020 NZ LYS A 63 2.454 -13.300 -4.049 1.00 1.00 N ATOM 0 H LYS A 63 -0.819 -8.471 -4.503 1.00 1.00 H new ATOM 0 HA LYS A 63 -0.732 -8.263 -1.579 1.00 1.00 H new ATOM 0 HB2 LYS A 63 1.316 -9.221 -3.652 1.00 1.00 H new ATOM 0 HB3 LYS A 63 1.509 -9.346 -1.915 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -0.686 -10.717 -1.863 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -0.647 -10.729 -3.615 1.00 1.00 H new ATOM 0 HD2 LYS A 63 1.572 -11.838 -1.805 1.00 1.00 H new ATOM 0 HD3 LYS A 63 0.367 -12.814 -2.621 1.00 1.00 H new ATOM 0 HE2 LYS A 63 1.253 -11.735 -4.847 1.00 1.00 H new ATOM 0 HE3 LYS A 63 2.619 -11.183 -3.898 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 3.060 -13.349 -4.893 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 3.027 -13.482 -3.200 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 1.703 -14.016 -4.120 1.00 1.00 H new ATOM 1034 N ILE A 64 0.987 -6.455 -1.265 1.00 1.00 N ATOM 1035 CA ILE A 64 1.760 -5.211 -1.033 1.00 1.00 C ATOM 1036 C ILE A 64 3.223 -5.578 -0.784 1.00 1.00 C ATOM 1037 O ILE A 64 3.527 -6.392 0.087 1.00 1.00 O ATOM 1038 CB ILE A 64 1.187 -4.444 0.197 1.00 1.00 C ATOM 1039 CG1 ILE A 64 -0.331 -4.108 -0.037 1.00 1.00 C ATOM 1040 CG2 ILE A 64 1.984 -3.126 0.429 1.00 1.00 C ATOM 1041 CD1 ILE A 64 -1.248 -5.358 0.012 1.00 1.00 C ATOM 0 H ILE A 64 0.794 -6.988 -0.417 1.00 1.00 H new ATOM 0 HA ILE A 64 1.685 -4.565 -1.908 1.00 1.00 H new ATOM 0 HB ILE A 64 1.283 -5.078 1.078 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -0.659 -3.395 0.719 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -0.444 -3.621 -1.005 1.00 1.00 H new ATOM 0 HG21 ILE A 64 1.574 -2.600 1.291 1.00 1.00 H new ATOM 0 HG22 ILE A 64 3.032 -3.362 0.613 1.00 1.00 H new ATOM 0 HG23 ILE A 64 1.905 -2.492 -0.454 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -2.282 -5.057 -0.157 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -0.944 -6.063 -0.762 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -1.163 -5.833 0.989 1.00 1.00 H new ATOM 1053 N TYR A 65 4.149 -4.984 -1.532 1.00 1.00 N ATOM 1054 CA TYR A 65 5.577 -5.255 -1.364 1.00 1.00 C ATOM 1055 C TYR A 65 6.021 -4.831 0.036 1.00 1.00 C ATOM 1056 O TYR A 65 5.420 -3.956 0.662 1.00 1.00 O ATOM 1057 CB TYR A 65 6.408 -4.483 -2.417 1.00 1.00 C ATOM 1058 CG TYR A 65 6.084 -4.988 -3.829 1.00 1.00 C ATOM 1059 CD1 TYR A 65 6.574 -6.241 -4.250 1.00 1.00 C ATOM 1060 CD2 TYR A 65 5.314 -4.214 -4.721 1.00 1.00 C ATOM 1061 CE1 TYR A 65 6.299 -6.707 -5.542 1.00 1.00 C ATOM 1062 CE2 TYR A 65 5.046 -4.690 -6.009 1.00 1.00 C ATOM 1063 CZ TYR A 65 5.537 -5.933 -6.417 1.00 1.00 C ATOM 1064 OH TYR A 65 5.271 -6.395 -7.689 1.00 1.00 O ATOM 0 H TYR A 65 3.936 -4.308 -2.265 1.00 1.00 H new ATOM 0 HA TYR A 65 5.742 -6.324 -1.498 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.194 -3.416 -2.347 1.00 1.00 H new ATOM 0 HB3 TYR A 65 7.471 -4.609 -2.214 1.00 1.00 H new ATOM 0 HD1 TYR A 65 7.163 -6.843 -3.574 1.00 1.00 H new ATOM 0 HD2 TYR A 65 4.931 -3.253 -4.410 1.00 1.00 H new ATOM 0 HE1 TYR A 65 6.677 -7.667 -5.861 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.457 -4.094 -6.691 1.00 1.00 H new ATOM 0 HH TYR A 65 4.727 -5.736 -8.169 1.00 1.00 H new ATOM 1074 N TRP A 66 7.087 -5.456 0.524 1.00 1.00 N ATOM 1075 CA TRP A 66 7.622 -5.141 1.858 1.00 1.00 C ATOM 1076 C TRP A 66 9.144 -5.358 1.891 1.00 1.00 C ATOM 1077 O TRP A 66 9.652 -6.353 1.376 1.00 1.00 O ATOM 1078 CB TRP A 66 6.881 -6.009 2.927 1.00 1.00 C ATOM 1079 CG TRP A 66 7.435 -7.419 2.987 1.00 1.00 C ATOM 1080 CD1 TRP A 66 8.234 -7.898 3.971 1.00 1.00 C ATOM 1081 CD2 TRP A 66 7.254 -8.518 2.043 1.00 1.00 C ATOM 1082 NE1 TRP A 66 8.556 -9.210 3.693 1.00 1.00 N ATOM 1083 CE2 TRP A 66 7.976 -9.641 2.514 1.00 1.00 C ATOM 1084 CE3 TRP A 66 6.541 -8.648 0.837 1.00 1.00 C ATOM 1085 CZ2 TRP A 66 7.992 -10.848 1.812 1.00 1.00 C ATOM 1086 CZ3 TRP A 66 6.554 -9.862 0.127 1.00 1.00 C ATOM 1087 CH2 TRP A 66 7.279 -10.960 0.614 1.00 1.00 C ATOM 0 H TRP A 66 7.601 -6.182 0.024 1.00 1.00 H new ATOM 0 HA TRP A 66 7.446 -4.091 2.091 1.00 1.00 H new ATOM 0 HB2 TRP A 66 6.975 -5.539 3.906 1.00 1.00 H new ATOM 0 HB3 TRP A 66 5.817 -6.046 2.692 1.00 1.00 H new ATOM 0 HD1 TRP A 66 8.566 -7.341 4.835 1.00 1.00 H new ATOM 0 HE1 TRP A 66 9.149 -9.791 4.285 1.00 1.00 H new ATOM 0 HE3 TRP A 66 5.979 -7.809 0.454 1.00 1.00 H new ATOM 0 HZ2 TRP A 66 8.552 -11.690 2.192 1.00 1.00 H new ATOM 0 HZ3 TRP A 66 6.003 -9.949 -0.798 1.00 1.00 H new ATOM 0 HH2 TRP A 66 7.287 -11.890 0.065 1.00 1.00 H new ATOM 1098 N GLN A 67 9.858 -4.434 2.525 1.00 1.00 N ATOM 1099 CA GLN A 67 11.340 -4.526 2.631 1.00 1.00 C ATOM 1100 C GLN A 67 11.797 -4.056 4.013 1.00 1.00 C ATOM 1101 O GLN A 67 11.481 -2.956 4.468 1.00 1.00 O ATOM 1102 CB GLN A 67 12.007 -3.672 1.530 1.00 1.00 C ATOM 1103 CG GLN A 67 13.540 -3.912 1.496 1.00 1.00 C ATOM 1104 CD GLN A 67 14.190 -3.075 0.396 1.00 1.00 C ATOM 1105 OE1 GLN A 67 13.513 -2.617 -0.527 1.00 1.00 O ATOM 1106 NE2 GLN A 67 15.472 -2.848 0.440 1.00 1.00 N ATOM 0 H GLN A 67 9.454 -3.613 2.975 1.00 1.00 H new ATOM 0 HA GLN A 67 11.639 -5.566 2.496 1.00 1.00 H new ATOM 0 HB2 GLN A 67 11.575 -3.919 0.560 1.00 1.00 H new ATOM 0 HB3 GLN A 67 11.804 -2.616 1.710 1.00 1.00 H new ATOM 0 HG2 GLN A 67 13.975 -3.655 2.462 1.00 1.00 H new ATOM 0 HG3 GLN A 67 13.745 -4.969 1.325 1.00 1.00 H new ATOM 0 HE21 GLN A 67 16.031 -3.227 1.204 1.00 1.00 H new ATOM 0 HE22 GLN A 67 15.917 -2.291 -0.290 1.00 1.00 H new ATOM 1115 N LEU A 68 12.554 -4.915 4.688 1.00 1.00 N ATOM 1116 CA LEU A 68 13.053 -4.628 6.054 1.00 1.00 C ATOM 1117 C LEU A 68 14.613 -4.577 6.065 1.00 1.00 C ATOM 1118 O LEU A 68 15.250 -5.575 5.726 1.00 1.00 O ATOM 1119 CB LEU A 68 12.515 -5.705 7.061 1.00 1.00 C ATOM 1120 CG LEU A 68 11.147 -6.343 6.587 1.00 1.00 C ATOM 1121 CD1 LEU A 68 10.029 -5.264 6.327 1.00 1.00 C ATOM 1122 CD2 LEU A 68 11.343 -7.315 5.353 1.00 1.00 C ATOM 0 H LEU A 68 12.843 -5.822 4.321 1.00 1.00 H new ATOM 0 HA LEU A 68 12.684 -3.652 6.368 1.00 1.00 H new ATOM 0 HB2 LEU A 68 13.259 -6.493 7.178 1.00 1.00 H new ATOM 0 HB3 LEU A 68 12.379 -5.247 8.041 1.00 1.00 H new ATOM 0 HG LEU A 68 10.789 -6.953 7.416 1.00 1.00 H new ATOM 0 HD11 LEU A 68 9.113 -5.759 6.004 1.00 1.00 H new ATOM 0 HD12 LEU A 68 9.837 -4.710 7.246 1.00 1.00 H new ATOM 0 HD13 LEU A 68 10.362 -4.575 5.551 1.00 1.00 H new ATOM 0 HD21 LEU A 68 10.379 -7.731 5.061 1.00 1.00 H new ATOM 0 HD22 LEU A 68 11.768 -6.760 4.517 1.00 1.00 H new ATOM 0 HD23 LEU A 68 12.018 -8.125 5.631 1.00 1.00 H new ATOM 1134 N PRO A 69 15.220 -3.482 6.431 1.00 1.00 N ATOM 1135 CA PRO A 69 16.734 -3.405 6.433 1.00 1.00 C ATOM 1136 C PRO A 69 17.367 -4.067 7.661 1.00 1.00 C ATOM 1137 O PRO A 69 18.283 -3.523 8.278 1.00 1.00 O ATOM 1138 CB PRO A 69 16.979 -1.880 6.380 1.00 1.00 C ATOM 1139 CG PRO A 69 15.886 -1.335 7.252 1.00 1.00 C ATOM 1140 CD PRO A 69 14.642 -2.178 6.895 1.00 1.00 C ATOM 0 HA PRO A 69 17.194 -3.948 5.607 1.00 1.00 H new ATOM 0 HB2 PRO A 69 17.967 -1.616 6.758 1.00 1.00 H new ATOM 0 HB3 PRO A 69 16.914 -1.495 5.362 1.00 1.00 H new ATOM 0 HG2 PRO A 69 16.138 -1.429 8.308 1.00 1.00 H new ATOM 0 HG3 PRO A 69 15.716 -0.276 7.058 1.00 1.00 H new ATOM 0 HD2 PRO A 69 13.989 -2.313 7.757 1.00 1.00 H new ATOM 0 HD3 PRO A 69 14.047 -1.703 6.115 1.00 1.00 H new ATOM 1148 N ALA A 70 16.892 -5.263 7.998 1.00 1.00 N ATOM 1149 CA ALA A 70 17.415 -6.011 9.155 1.00 1.00 C ATOM 1150 C ALA A 70 17.045 -7.504 9.074 1.00 1.00 C ATOM 1151 O ALA A 70 17.000 -8.100 7.997 1.00 1.00 O ATOM 1152 CB ALA A 70 16.858 -5.358 10.440 1.00 1.00 C ATOM 0 H ALA A 70 16.147 -5.741 7.492 1.00 1.00 H new ATOM 0 HA ALA A 70 18.504 -5.966 9.162 1.00 1.00 H new ATOM 0 HB1 ALA A 70 17.231 -5.895 11.312 1.00 1.00 H new ATOM 0 HB2 ALA A 70 17.180 -4.318 10.489 1.00 1.00 H new ATOM 0 HB3 ALA A 70 15.769 -5.400 10.427 1.00 1.00 H new ATOM 1158 N GLY A 71 16.780 -8.105 10.229 1.00 1.00 N ATOM 1159 CA GLY A 71 16.415 -9.544 10.333 1.00 1.00 C ATOM 1160 C GLY A 71 14.972 -9.704 10.782 1.00 1.00 C ATOM 1161 O GLY A 71 14.672 -10.428 11.731 1.00 1.00 O ATOM 0 H GLY A 71 16.808 -7.623 11.128 1.00 1.00 H new ATOM 0 HA2 GLY A 71 16.556 -10.030 9.368 1.00 1.00 H new ATOM 0 HA3 GLY A 71 17.078 -10.042 11.041 1.00 1.00 H new ATOM 1165 N ILE A 72 14.074 -9.006 10.095 1.00 1.00 N ATOM 1166 CA ILE A 72 12.630 -9.037 10.407 1.00 1.00 C ATOM 1167 C ILE A 72 11.876 -9.902 9.390 1.00 1.00 C ATOM 1168 O ILE A 72 12.136 -9.873 8.186 1.00 1.00 O ATOM 1169 CB ILE A 72 12.081 -7.590 10.375 1.00 1.00 C ATOM 1170 CG1 ILE A 72 12.816 -6.732 11.457 1.00 1.00 C ATOM 1171 CG2 ILE A 72 10.555 -7.572 10.658 1.00 1.00 C ATOM 1172 CD1 ILE A 72 12.475 -5.230 11.341 1.00 1.00 C ATOM 0 H ILE A 72 14.314 -8.403 9.308 1.00 1.00 H new ATOM 0 HA ILE A 72 12.485 -9.470 11.397 1.00 1.00 H new ATOM 0 HB ILE A 72 12.257 -7.174 9.383 1.00 1.00 H new ATOM 0 HG12 ILE A 72 12.542 -7.089 12.450 1.00 1.00 H new ATOM 0 HG13 ILE A 72 13.893 -6.867 11.356 1.00 1.00 H new ATOM 0 HG21 ILE A 72 10.192 -6.545 10.630 1.00 1.00 H new ATOM 0 HG22 ILE A 72 10.037 -8.160 9.900 1.00 1.00 H new ATOM 0 HG23 ILE A 72 10.362 -7.998 11.642 1.00 1.00 H new ATOM 0 HD11 ILE A 72 13.009 -4.675 12.113 1.00 1.00 H new ATOM 0 HD12 ILE A 72 12.774 -4.864 10.359 1.00 1.00 H new ATOM 0 HD13 ILE A 72 11.402 -5.090 11.470 1.00 1.00 H new ATOM 1184 N GLU A 73 10.915 -10.667 9.898 1.00 1.00 N ATOM 1185 CA GLU A 73 10.075 -11.550 9.059 1.00 1.00 C ATOM 1186 C GLU A 73 8.675 -10.949 8.914 1.00 1.00 C ATOM 1187 O GLU A 73 8.232 -10.114 9.705 1.00 1.00 O ATOM 1188 CB GLU A 73 9.988 -12.954 9.698 1.00 1.00 C ATOM 1189 CG GLU A 73 11.398 -13.582 9.799 1.00 1.00 C ATOM 1190 CD GLU A 73 11.318 -14.980 10.414 1.00 1.00 C ATOM 1191 OE1 GLU A 73 11.346 -15.074 11.629 1.00 1.00 O ATOM 1192 OE2 GLU A 73 11.230 -15.934 9.658 1.00 1.00 O ATOM 0 H GLU A 73 10.689 -10.701 10.892 1.00 1.00 H new ATOM 0 HA GLU A 73 10.525 -11.640 8.070 1.00 1.00 H new ATOM 0 HB2 GLU A 73 9.541 -12.883 10.690 1.00 1.00 H new ATOM 0 HB3 GLU A 73 9.339 -13.594 9.101 1.00 1.00 H new ATOM 0 HG2 GLU A 73 11.849 -13.639 8.808 1.00 1.00 H new ATOM 0 HG3 GLU A 73 12.043 -12.947 10.407 1.00 1.00 H new ATOM 1199 N MET A 74 7.961 -11.383 7.882 1.00 1.00 N ATOM 1200 CA MET A 74 6.583 -10.895 7.610 1.00 1.00 C ATOM 1201 C MET A 74 5.562 -11.940 8.065 1.00 1.00 C ATOM 1202 O MET A 74 5.460 -13.029 7.501 1.00 1.00 O ATOM 1203 CB MET A 74 6.417 -10.614 6.092 1.00 1.00 C ATOM 1204 CG MET A 74 6.653 -11.907 5.224 1.00 1.00 C ATOM 1205 SD MET A 74 5.070 -12.652 4.721 1.00 1.00 S ATOM 1206 CE MET A 74 5.744 -13.867 3.567 1.00 1.00 C ATOM 0 H MET A 74 8.300 -12.072 7.210 1.00 1.00 H new ATOM 0 HA MET A 74 6.413 -9.971 8.163 1.00 1.00 H new ATOM 0 HB2 MET A 74 5.416 -10.228 5.902 1.00 1.00 H new ATOM 0 HB3 MET A 74 7.121 -9.839 5.787 1.00 1.00 H new ATOM 0 HG2 MET A 74 7.237 -11.654 4.339 1.00 1.00 H new ATOM 0 HG3 MET A 74 7.235 -12.631 5.794 1.00 1.00 H new ATOM 0 HE1 MET A 74 4.930 -14.447 3.133 1.00 1.00 H new ATOM 0 HE2 MET A 74 6.287 -13.353 2.774 1.00 1.00 H new ATOM 0 HE3 MET A 74 6.423 -14.535 4.097 1.00 1.00 H new ATOM 1216 N VAL A 75 4.784 -11.605 9.089 1.00 1.00 N ATOM 1217 CA VAL A 75 3.774 -12.539 9.608 1.00 1.00 C ATOM 1218 C VAL A 75 2.779 -12.874 8.517 1.00 1.00 C ATOM 1219 O VAL A 75 2.879 -13.926 7.888 1.00 1.00 O ATOM 1220 CB VAL A 75 3.040 -11.923 10.832 1.00 1.00 C ATOM 1221 CG1 VAL A 75 1.968 -12.894 11.406 1.00 1.00 C ATOM 1222 CG2 VAL A 75 4.076 -11.606 11.930 1.00 1.00 C ATOM 0 H VAL A 75 4.826 -10.709 9.574 1.00 1.00 H new ATOM 0 HA VAL A 75 4.273 -13.453 9.931 1.00 1.00 H new ATOM 0 HB VAL A 75 2.533 -11.015 10.505 1.00 1.00 H new ATOM 0 HG11 VAL A 75 1.476 -12.429 12.260 1.00 1.00 H new ATOM 0 HG12 VAL A 75 1.228 -13.115 10.637 1.00 1.00 H new ATOM 0 HG13 VAL A 75 2.448 -13.820 11.724 1.00 1.00 H new ATOM 0 HG21 VAL A 75 3.570 -11.173 12.793 1.00 1.00 H new ATOM 0 HG22 VAL A 75 4.582 -12.524 12.229 1.00 1.00 H new ATOM 0 HG23 VAL A 75 4.808 -10.896 11.545 1.00 1.00 H new ATOM 1232 N SER A 76 1.804 -11.998 8.286 1.00 1.00 N ATOM 1233 CA SER A 76 0.771 -12.226 7.286 1.00 1.00 C ATOM 1234 C SER A 76 -0.084 -10.982 7.152 1.00 1.00 C ATOM 1235 O SER A 76 -0.149 -10.165 8.070 1.00 1.00 O ATOM 1236 CB SER A 76 -0.140 -13.353 7.785 1.00 1.00 C ATOM 1237 OG SER A 76 0.542 -14.601 7.721 1.00 1.00 O ATOM 0 H SER A 76 1.710 -11.114 8.786 1.00 1.00 H new ATOM 0 HA SER A 76 1.235 -12.476 6.332 1.00 1.00 H new ATOM 0 HB2 SER A 76 -0.451 -13.152 8.810 1.00 1.00 H new ATOM 0 HB3 SER A 76 -1.045 -13.394 7.180 1.00 1.00 H new ATOM 0 HG SER A 76 1.422 -14.472 7.309 1.00 1.00 H new ATOM 1243 N ILE A 77 -0.764 -10.850 6.018 1.00 1.00 N ATOM 1244 CA ILE A 77 -1.703 -9.729 5.814 1.00 1.00 C ATOM 1245 C ILE A 77 -0.954 -8.372 5.884 1.00 1.00 C ATOM 1246 O ILE A 77 0.193 -8.367 6.332 1.00 1.00 O ATOM 1247 CB ILE A 77 -2.929 -9.869 6.884 1.00 1.00 C ATOM 1248 CG1 ILE A 77 -2.796 -8.881 8.118 1.00 1.00 C ATOM 1249 CG2 ILE A 77 -3.103 -11.342 7.389 1.00 1.00 C ATOM 1250 CD1 ILE A 77 -3.998 -9.001 9.063 1.00 1.00 C ATOM 0 H ILE A 77 -0.691 -11.492 5.229 1.00 1.00 H new ATOM 0 HA ILE A 77 -2.141 -9.764 4.816 1.00 1.00 H new ATOM 0 HB ILE A 77 -3.825 -9.582 6.333 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -1.879 -9.100 8.664 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.715 -7.855 7.758 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.929 -11.388 8.098 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -3.315 -11.994 6.542 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -2.186 -11.670 7.878 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -3.875 -8.311 9.898 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -4.912 -8.757 8.522 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.062 -10.021 9.442 1.00 1.00 H new ATOM 1262 N PRO A 78 -1.552 -7.264 5.544 1.00 1.00 N ATOM 1263 CA PRO A 78 -2.944 -7.116 4.986 1.00 1.00 C ATOM 1264 C PRO A 78 -2.941 -6.962 3.470 1.00 1.00 C ATOM 1265 O PRO A 78 -1.959 -6.547 2.856 1.00 1.00 O ATOM 1266 CB PRO A 78 -3.445 -5.833 5.672 1.00 1.00 C ATOM 1267 CG PRO A 78 -2.191 -4.981 5.856 1.00 1.00 C ATOM 1268 CD PRO A 78 -0.958 -5.921 5.631 1.00 1.00 C ATOM 0 HA PRO A 78 -3.570 -7.989 5.172 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -4.187 -5.320 5.060 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -3.918 -6.054 6.629 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -2.180 -4.154 5.146 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -2.165 -4.544 6.854 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -0.419 -5.662 4.720 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -0.246 -5.851 6.453 1.00 1.00 H new ATOM 1276 N ASP A 79 -4.084 -7.278 2.869 1.00 1.00 N ATOM 1277 CA ASP A 79 -4.287 -7.172 1.423 1.00 1.00 C ATOM 1278 C ASP A 79 -4.934 -5.826 1.133 1.00 1.00 C ATOM 1279 O ASP A 79 -5.591 -5.204 1.970 1.00 1.00 O ATOM 1280 CB ASP A 79 -5.185 -8.336 0.902 1.00 1.00 C ATOM 1281 CG ASP A 79 -6.254 -8.705 1.933 1.00 1.00 C ATOM 1282 OD1 ASP A 79 -5.944 -9.483 2.822 1.00 1.00 O ATOM 1283 OD2 ASP A 79 -7.360 -8.203 1.822 1.00 1.00 O ATOM 0 H ASP A 79 -4.903 -7.618 3.373 1.00 1.00 H new ATOM 0 HA ASP A 79 -3.329 -7.245 0.909 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -5.662 -8.042 -0.033 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -4.568 -9.208 0.685 1.00 1.00 H new ATOM 1288 N VAL A 80 -4.746 -5.339 -0.090 1.00 1.00 N ATOM 1289 CA VAL A 80 -5.305 -4.039 -0.511 1.00 1.00 C ATOM 1290 C VAL A 80 -6.432 -4.240 -1.522 1.00 1.00 C ATOM 1291 O VAL A 80 -6.270 -4.913 -2.540 1.00 1.00 O ATOM 1292 CB VAL A 80 -4.183 -3.160 -1.134 1.00 1.00 C ATOM 1293 CG1 VAL A 80 -3.631 -3.779 -2.458 1.00 1.00 C ATOM 1294 CG2 VAL A 80 -4.721 -1.720 -1.394 1.00 1.00 C ATOM 0 H VAL A 80 -4.212 -5.819 -0.814 1.00 1.00 H new ATOM 0 HA VAL A 80 -5.713 -3.535 0.365 1.00 1.00 H new ATOM 0 HB VAL A 80 -3.358 -3.116 -0.424 1.00 1.00 H new ATOM 0 HG11 VAL A 80 -2.849 -3.136 -2.862 1.00 1.00 H new ATOM 0 HG12 VAL A 80 -3.218 -4.767 -2.253 1.00 1.00 H new ATOM 0 HG13 VAL A 80 -4.440 -3.867 -3.183 1.00 1.00 H new ATOM 0 HG21 VAL A 80 -3.930 -1.109 -1.830 1.00 1.00 H new ATOM 0 HG22 VAL A 80 -5.565 -1.766 -2.082 1.00 1.00 H new ATOM 0 HG23 VAL A 80 -5.044 -1.277 -0.452 1.00 1.00 H new ATOM 1304 N THR A 81 -7.577 -3.623 -1.251 1.00 1.00 N ATOM 1305 CA THR A 81 -8.747 -3.707 -2.161 1.00 1.00 C ATOM 1306 C THR A 81 -9.432 -2.343 -2.250 1.00 1.00 C ATOM 1307 O THR A 81 -9.895 -1.801 -1.246 1.00 1.00 O ATOM 1308 CB THR A 81 -9.740 -4.778 -1.648 1.00 1.00 C ATOM 1309 OG1 THR A 81 -9.020 -5.965 -1.354 1.00 1.00 O ATOM 1310 CG2 THR A 81 -10.806 -5.092 -2.721 1.00 1.00 C ATOM 0 H THR A 81 -7.734 -3.058 -0.416 1.00 1.00 H new ATOM 0 HA THR A 81 -8.409 -3.995 -3.156 1.00 1.00 H new ATOM 0 HB THR A 81 -10.240 -4.399 -0.756 1.00 1.00 H new ATOM 0 HG1 THR A 81 -9.142 -6.610 -2.081 1.00 1.00 H new ATOM 0 HG21 THR A 81 -11.494 -5.847 -2.340 1.00 1.00 H new ATOM 0 HG22 THR A 81 -11.360 -4.184 -2.960 1.00 1.00 H new ATOM 0 HG23 THR A 81 -10.317 -5.467 -3.620 1.00 1.00 H new ATOM 1318 N TYR A 82 -9.499 -1.784 -3.455 1.00 1.00 N ATOM 1319 CA TYR A 82 -10.130 -0.473 -3.664 1.00 1.00 C ATOM 1320 C TYR A 82 -10.808 -0.428 -5.018 1.00 1.00 C ATOM 1321 O TYR A 82 -10.897 -1.415 -5.750 1.00 1.00 O ATOM 1322 CB TYR A 82 -9.057 0.660 -3.517 1.00 1.00 C ATOM 1323 CG TYR A 82 -9.596 1.786 -2.618 1.00 1.00 C ATOM 1324 CD1 TYR A 82 -9.496 1.671 -1.223 1.00 1.00 C ATOM 1325 CD2 TYR A 82 -10.182 2.929 -3.178 1.00 1.00 C ATOM 1326 CE1 TYR A 82 -9.969 2.696 -0.400 1.00 1.00 C ATOM 1327 CE2 TYR A 82 -10.659 3.951 -2.351 1.00 1.00 C ATOM 1328 CZ TYR A 82 -10.544 3.835 -0.962 1.00 1.00 C ATOM 1329 OH TYR A 82 -10.997 4.843 -0.141 1.00 1.00 O ATOM 0 H TYR A 82 -9.127 -2.212 -4.303 1.00 1.00 H new ATOM 0 HA TYR A 82 -10.897 -0.313 -2.907 1.00 1.00 H new ATOM 0 HB2 TYR A 82 -8.141 0.251 -3.091 1.00 1.00 H new ATOM 0 HB3 TYR A 82 -8.801 1.059 -4.499 1.00 1.00 H new ATOM 0 HD1 TYR A 82 -9.053 0.789 -0.785 1.00 1.00 H new ATOM 0 HD2 TYR A 82 -10.266 3.021 -4.251 1.00 1.00 H new ATOM 0 HE1 TYR A 82 -9.889 2.606 0.673 1.00 1.00 H new ATOM 0 HE2 TYR A 82 -11.116 4.829 -2.784 1.00 1.00 H new ATOM 0 HH TYR A 82 -10.233 5.332 0.229 1.00 1.00 H new ATOM 1339 N THR A 83 -11.313 0.743 -5.383 1.00 1.00 N ATOM 1340 CA THR A 83 -12.017 0.935 -6.679 1.00 1.00 C ATOM 1341 C THR A 83 -11.339 2.030 -7.508 1.00 1.00 C ATOM 1342 O THR A 83 -11.184 3.171 -7.072 1.00 1.00 O ATOM 1343 CB THR A 83 -13.487 1.313 -6.386 1.00 1.00 C ATOM 1344 OG1 THR A 83 -14.044 0.327 -5.528 1.00 1.00 O ATOM 1345 CG2 THR A 83 -14.319 1.367 -7.683 1.00 1.00 C ATOM 0 H THR A 83 -11.257 1.585 -4.811 1.00 1.00 H new ATOM 0 HA THR A 83 -11.978 0.012 -7.257 1.00 1.00 H new ATOM 0 HB THR A 83 -13.508 2.298 -5.920 1.00 1.00 H new ATOM 0 HG1 THR A 83 -14.977 0.554 -5.331 1.00 1.00 H new ATOM 0 HG21 THR A 83 -15.348 1.635 -7.444 1.00 1.00 H new ATOM 0 HG22 THR A 83 -13.896 2.113 -8.356 1.00 1.00 H new ATOM 0 HG23 THR A 83 -14.302 0.391 -8.167 1.00 1.00 H new ATOM 1353 N LEU A 84 -10.949 1.679 -8.728 1.00 1.00 N ATOM 1354 CA LEU A 84 -10.282 2.626 -9.649 1.00 1.00 C ATOM 1355 C LEU A 84 -11.274 3.094 -10.709 1.00 1.00 C ATOM 1356 O LEU A 84 -12.002 2.291 -11.296 1.00 1.00 O ATOM 1357 CB LEU A 84 -9.068 1.927 -10.314 1.00 1.00 C ATOM 1358 CG LEU A 84 -8.199 2.918 -11.165 1.00 1.00 C ATOM 1359 CD1 LEU A 84 -7.656 4.113 -10.309 1.00 1.00 C ATOM 1360 CD2 LEU A 84 -7.005 2.142 -11.797 1.00 1.00 C ATOM 0 H LEU A 84 -11.079 0.744 -9.115 1.00 1.00 H new ATOM 0 HA LEU A 84 -9.929 3.495 -9.093 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -8.446 1.473 -9.542 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -9.423 1.119 -10.953 1.00 1.00 H new ATOM 0 HG LEU A 84 -8.836 3.337 -11.944 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -7.060 4.772 -10.941 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -8.494 4.671 -9.891 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -7.036 3.728 -9.499 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -6.399 2.827 -12.389 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -6.394 1.708 -11.006 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -7.386 1.348 -12.439 1.00 1.00 H new ATOM 1372 N LYS A 85 -11.312 4.396 -10.970 1.00 1.00 N ATOM 1373 CA LYS A 85 -12.223 4.992 -11.963 1.00 1.00 C ATOM 1374 C LYS A 85 -11.463 5.958 -12.866 1.00 1.00 C ATOM 1375 O LYS A 85 -10.351 6.403 -12.579 1.00 1.00 O ATOM 1376 CB LYS A 85 -13.381 5.720 -11.236 1.00 1.00 C ATOM 1377 CG LYS A 85 -14.301 4.688 -10.533 1.00 1.00 C ATOM 1378 CD LYS A 85 -15.464 5.406 -9.815 1.00 1.00 C ATOM 1379 CE LYS A 85 -16.400 4.374 -9.154 1.00 1.00 C ATOM 1380 NZ LYS A 85 -17.507 5.086 -8.457 1.00 1.00 N ATOM 0 H LYS A 85 -10.714 5.077 -10.502 1.00 1.00 H new ATOM 0 HA LYS A 85 -12.640 4.201 -12.587 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -12.978 6.419 -10.503 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -13.958 6.306 -11.951 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -14.696 3.985 -11.266 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -13.724 4.107 -9.813 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -15.070 6.087 -9.060 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -16.024 6.011 -10.529 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -16.805 3.699 -9.908 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -15.842 3.763 -8.445 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -18.140 4.392 -8.010 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -17.111 5.713 -7.728 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -18.044 5.651 -9.145 1.00 1.00 H new ATOM 1394 N ALA A 86 -12.083 6.282 -13.996 1.00 1.00 N ATOM 1395 CA ALA A 86 -11.499 7.186 -14.990 1.00 1.00 C ATOM 1396 C ALA A 86 -11.545 8.629 -14.512 1.00 1.00 C ATOM 1397 O ALA A 86 -12.432 9.026 -13.755 1.00 1.00 O ATOM 1398 CB ALA A 86 -12.268 7.040 -16.320 1.00 1.00 C ATOM 0 H ALA A 86 -13.004 5.927 -14.252 1.00 1.00 H new ATOM 0 HA ALA A 86 -10.453 6.918 -15.138 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -11.838 7.710 -17.064 1.00 1.00 H new ATOM 0 HB2 ALA A 86 -12.194 6.011 -16.672 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -13.316 7.295 -16.164 1.00 1.00 H new ATOM 1404 N LYS A 87 -10.581 9.425 -14.963 1.00 1.00 N ATOM 1405 CA LYS A 87 -10.502 10.833 -14.591 1.00 1.00 C ATOM 1406 C LYS A 87 -11.794 11.559 -14.995 1.00 1.00 C ATOM 1407 O LYS A 87 -12.201 11.543 -16.157 1.00 1.00 O ATOM 1408 CB LYS A 87 -9.280 11.482 -15.292 1.00 1.00 C ATOM 1409 CG LYS A 87 -9.126 13.003 -14.954 1.00 1.00 C ATOM 1410 CD LYS A 87 -8.700 13.216 -13.482 1.00 1.00 C ATOM 1411 CE LYS A 87 -8.506 14.710 -13.183 1.00 1.00 C ATOM 1412 NZ LYS A 87 -8.154 14.871 -11.744 1.00 1.00 N ATOM 0 H LYS A 87 -9.839 9.116 -15.591 1.00 1.00 H new ATOM 0 HA LYS A 87 -10.382 10.916 -13.511 1.00 1.00 H new ATOM 0 HB2 LYS A 87 -8.374 10.955 -14.995 1.00 1.00 H new ATOM 0 HB3 LYS A 87 -9.379 11.362 -16.371 1.00 1.00 H new ATOM 0 HG2 LYS A 87 -8.386 13.451 -15.617 1.00 1.00 H new ATOM 0 HG3 LYS A 87 -10.070 13.515 -15.138 1.00 1.00 H new ATOM 0 HD2 LYS A 87 -9.457 12.802 -12.816 1.00 1.00 H new ATOM 0 HD3 LYS A 87 -7.773 12.677 -13.285 1.00 1.00 H new ATOM 0 HE2 LYS A 87 -7.717 15.121 -13.813 1.00 1.00 H new ATOM 0 HE3 LYS A 87 -9.417 15.262 -13.412 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 -8.503 15.789 -11.402 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 -8.592 14.106 -11.192 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 -7.121 14.830 -11.633 1.00 1.00 H new ATOM 1426 N GLU A 88 -12.434 12.200 -14.023 1.00 1.00 N ATOM 1427 CA GLU A 88 -13.678 12.937 -14.277 1.00 1.00 C ATOM 1428 C GLU A 88 -14.002 13.825 -13.077 1.00 1.00 C ATOM 1429 O GLU A 88 -14.885 13.521 -12.276 1.00 1.00 O ATOM 1430 CB GLU A 88 -14.829 11.939 -14.553 1.00 1.00 C ATOM 1431 CG GLU A 88 -16.115 12.677 -14.997 1.00 1.00 C ATOM 1432 CD GLU A 88 -17.236 11.681 -15.320 1.00 1.00 C ATOM 1433 OE1 GLU A 88 -16.941 10.506 -15.497 1.00 1.00 O ATOM 1434 OE2 GLU A 88 -18.373 12.111 -15.394 1.00 1.00 O ATOM 0 H GLU A 88 -12.118 12.227 -13.054 1.00 1.00 H new ATOM 0 HA GLU A 88 -13.556 13.573 -15.154 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -14.525 11.234 -15.327 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -15.032 11.357 -13.654 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -16.441 13.354 -14.207 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -15.903 13.289 -15.874 1.00 1.00 H new ATOM 1441 N ASP A 89 -13.286 14.940 -12.971 1.00 1.00 N ATOM 1442 CA ASP A 89 -13.470 15.891 -11.862 1.00 1.00 C ATOM 1443 C ASP A 89 -14.476 17.018 -12.234 1.00 1.00 C ATOM 1444 O ASP A 89 -14.379 17.559 -13.335 1.00 1.00 O ATOM 1445 CB ASP A 89 -12.104 16.511 -11.518 1.00 1.00 C ATOM 1446 CG ASP A 89 -11.128 15.415 -11.069 1.00 1.00 C ATOM 1447 OD1 ASP A 89 -11.103 14.377 -11.710 1.00 1.00 O ATOM 1448 OD2 ASP A 89 -10.437 15.627 -10.086 1.00 1.00 O ATOM 0 H ASP A 89 -12.567 15.215 -13.640 1.00 1.00 H new ATOM 0 HA ASP A 89 -13.878 15.355 -11.005 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -11.703 17.033 -12.387 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -12.221 17.252 -10.727 1.00 1.00 H new ATOM 1453 N PRO A 90 -15.370 17.389 -11.357 1.00 1.00 N ATOM 1454 CA PRO A 90 -16.358 18.489 -11.656 1.00 1.00 C ATOM 1455 C PRO A 90 -15.758 19.861 -11.381 1.00 1.00 C ATOM 1456 O PRO A 90 -16.234 20.877 -11.886 1.00 1.00 O ATOM 1457 CB PRO A 90 -17.506 18.160 -10.682 1.00 1.00 C ATOM 1458 CG PRO A 90 -16.766 17.743 -9.443 1.00 1.00 C ATOM 1459 CD PRO A 90 -15.596 16.880 -9.974 1.00 1.00 C ATOM 0 HA PRO A 90 -16.672 18.532 -12.699 1.00 1.00 H new ATOM 0 HB2 PRO A 90 -18.146 19.024 -10.502 1.00 1.00 H new ATOM 0 HB3 PRO A 90 -18.145 17.363 -11.061 1.00 1.00 H new ATOM 0 HG2 PRO A 90 -16.403 18.607 -8.886 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -17.406 17.175 -8.769 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -14.705 16.993 -9.357 1.00 1.00 H new ATOM 0 HD3 PRO A 90 -15.851 15.820 -9.976 1.00 1.00 H new ATOM 1467 N LEU A 91 -14.716 19.886 -10.555 1.00 1.00 N ATOM 1468 CA LEU A 91 -14.043 21.135 -10.175 1.00 1.00 C ATOM 1469 C LEU A 91 -13.415 21.819 -11.390 1.00 1.00 C ATOM 1470 O LEU A 91 -13.459 23.044 -11.503 1.00 1.00 O ATOM 1471 CB LEU A 91 -12.947 20.841 -9.121 1.00 1.00 C ATOM 1472 CG LEU A 91 -13.525 20.024 -7.926 1.00 1.00 C ATOM 1473 CD1 LEU A 91 -12.387 19.698 -6.928 1.00 1.00 C ATOM 1474 CD2 LEU A 91 -14.657 20.812 -7.197 1.00 1.00 C ATOM 0 H LEU A 91 -14.313 19.051 -10.130 1.00 1.00 H new ATOM 0 HA LEU A 91 -14.791 21.807 -9.753 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -12.131 20.286 -9.585 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -12.528 21.779 -8.756 1.00 1.00 H new ATOM 0 HG LEU A 91 -13.954 19.101 -8.315 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -12.789 19.127 -6.091 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -11.618 19.112 -7.432 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -11.951 20.626 -6.557 1.00 1.00 H new ATOM 0 HD21 LEU A 91 -15.040 20.216 -6.369 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -14.258 21.751 -6.814 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -15.465 21.020 -7.898 1.00 1.00 H new ATOM 1486 N GLU A 92 -12.834 21.027 -12.285 1.00 1.00 N ATOM 1487 CA GLU A 92 -12.190 21.571 -13.497 1.00 1.00 C ATOM 1488 C GLU A 92 -12.167 20.513 -14.603 1.00 1.00 C ATOM 1489 O GLU A 92 -12.108 19.311 -14.347 1.00 1.00 O ATOM 1490 CB GLU A 92 -10.751 22.041 -13.159 1.00 1.00 C ATOM 1491 CG GLU A 92 -10.114 22.776 -14.365 1.00 1.00 C ATOM 1492 CD GLU A 92 -8.716 23.282 -14.007 1.00 1.00 C ATOM 1493 OE1 GLU A 92 -7.947 22.506 -13.466 1.00 1.00 O ATOM 1494 OE2 GLU A 92 -8.433 24.440 -14.282 1.00 1.00 O ATOM 0 H GLU A 92 -12.791 20.011 -12.204 1.00 1.00 H new ATOM 0 HA GLU A 92 -12.763 22.427 -13.855 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -10.774 22.704 -12.294 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -10.138 21.182 -12.886 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -10.055 22.102 -15.219 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -10.745 23.613 -14.663 1.00 1.00 H new ATOM 1501 N HIS A 93 -12.223 20.959 -15.853 1.00 1.00 N ATOM 1502 CA HIS A 93 -12.213 20.055 -17.015 1.00 1.00 C ATOM 1503 C HIS A 93 -11.669 20.775 -18.256 1.00 1.00 C ATOM 1504 O HIS A 93 -11.580 22.002 -18.296 1.00 1.00 O ATOM 1505 CB HIS A 93 -13.646 19.546 -17.274 1.00 1.00 C ATOM 1506 CG HIS A 93 -14.573 20.720 -17.472 1.00 1.00 C ATOM 1507 ND1 HIS A 93 -14.839 21.247 -18.726 1.00 1.00 N ATOM 1508 CD2 HIS A 93 -15.294 21.478 -16.584 1.00 1.00 C ATOM 1509 CE1 HIS A 93 -15.686 22.279 -18.560 1.00 1.00 C ATOM 1510 NE2 HIS A 93 -15.997 22.462 -17.274 1.00 1.00 N ATOM 0 H HIS A 93 -12.276 21.948 -16.097 1.00 1.00 H new ATOM 0 HA HIS A 93 -11.560 19.208 -16.804 1.00 1.00 H new ATOM 0 HB2 HIS A 93 -13.661 18.905 -18.156 1.00 1.00 H new ATOM 0 HB3 HIS A 93 -13.985 18.940 -16.434 1.00 1.00 H new ATOM 0 HD2 HIS A 93 -15.313 21.333 -15.514 1.00 1.00 H new ATOM 0 HE1 HIS A 93 -16.068 22.885 -19.368 1.00 1.00 H new ATOM 0 HE2 HIS A 93 -16.617 23.171 -16.882 1.00 1.00 H new ATOM 1519 N HIS A 94 -11.318 19.992 -19.272 1.00 1.00 N ATOM 1520 CA HIS A 94 -10.780 20.523 -20.541 1.00 1.00 C ATOM 1521 C HIS A 94 -11.255 19.663 -21.724 1.00 1.00 C ATOM 1522 O HIS A 94 -10.798 18.539 -21.921 1.00 1.00 O ATOM 1523 CB HIS A 94 -9.237 20.523 -20.485 1.00 1.00 C ATOM 1524 CG HIS A 94 -8.769 21.372 -19.333 1.00 1.00 C ATOM 1525 ND1 HIS A 94 -8.396 20.826 -18.116 1.00 1.00 N ATOM 1526 CD2 HIS A 94 -8.609 22.729 -19.201 1.00 1.00 C ATOM 1527 CE1 HIS A 94 -8.033 21.841 -17.312 1.00 1.00 C ATOM 1528 NE2 HIS A 94 -8.145 23.024 -17.923 1.00 1.00 N ATOM 0 H HIS A 94 -11.394 18.975 -19.249 1.00 1.00 H new ATOM 0 HA HIS A 94 -11.142 21.542 -20.681 1.00 1.00 H new ATOM 0 HB2 HIS A 94 -8.868 19.504 -20.371 1.00 1.00 H new ATOM 0 HB3 HIS A 94 -8.830 20.907 -21.421 1.00 1.00 H new ATOM 0 HD2 HIS A 94 -8.812 23.457 -19.972 1.00 1.00 H new ATOM 0 HE1 HIS A 94 -7.692 21.715 -16.295 1.00 1.00 H new ATOM 0 HE2 HIS A 94 -7.936 23.944 -17.536 1.00 1.00 H new ATOM 1537 N HIS A 95 -12.168 20.203 -22.523 1.00 1.00 N ATOM 1538 CA HIS A 95 -12.712 19.505 -23.695 1.00 1.00 C ATOM 1539 C HIS A 95 -13.308 18.141 -23.311 1.00 1.00 C ATOM 1540 O HIS A 95 -12.757 17.087 -23.626 1.00 1.00 O ATOM 1541 CB HIS A 95 -11.614 19.333 -24.773 1.00 1.00 C ATOM 1542 CG HIS A 95 -12.210 18.767 -26.042 1.00 1.00 C ATOM 1543 ND1 HIS A 95 -13.043 19.512 -26.860 1.00 1.00 N ATOM 1544 CD2 HIS A 95 -12.114 17.529 -26.629 1.00 1.00 C ATOM 1545 CE1 HIS A 95 -13.417 18.723 -27.884 1.00 1.00 C ATOM 1546 NE2 HIS A 95 -12.879 17.504 -27.792 1.00 1.00 N ATOM 0 H HIS A 95 -12.555 21.136 -22.382 1.00 1.00 H new ATOM 0 HA HIS A 95 -13.518 20.114 -24.104 1.00 1.00 H new ATOM 0 HB2 HIS A 95 -11.145 20.295 -24.981 1.00 1.00 H new ATOM 0 HB3 HIS A 95 -10.832 18.670 -24.403 1.00 1.00 H new ATOM 0 HD2 HIS A 95 -11.534 16.702 -26.247 1.00 1.00 H new ATOM 0 HE1 HIS A 95 -14.072 19.037 -28.683 1.00 1.00 H new ATOM 0 HE2 HIS A 95 -13.002 16.722 -28.436 1.00 1.00 H new ATOM 1555 N HIS A 96 -14.452 18.170 -22.633 1.00 1.00 N ATOM 1556 CA HIS A 96 -15.137 16.932 -22.211 1.00 1.00 C ATOM 1557 C HIS A 96 -16.645 17.167 -22.076 1.00 1.00 C ATOM 1558 O HIS A 96 -17.103 18.255 -21.724 1.00 1.00 O ATOM 1559 CB HIS A 96 -14.549 16.435 -20.873 1.00 1.00 C ATOM 1560 CG HIS A 96 -13.102 16.052 -21.062 1.00 1.00 C ATOM 1561 ND1 HIS A 96 -12.713 15.097 -21.988 1.00 1.00 N ATOM 1562 CD2 HIS A 96 -11.948 16.477 -20.453 1.00 1.00 C ATOM 1563 CE1 HIS A 96 -11.377 14.979 -21.913 1.00 1.00 C ATOM 1564 NE2 HIS A 96 -10.858 15.796 -20.993 1.00 1.00 N ATOM 0 H HIS A 96 -14.930 19.029 -22.361 1.00 1.00 H new ATOM 0 HA HIS A 96 -14.978 16.169 -22.973 1.00 1.00 H new ATOM 0 HB2 HIS A 96 -14.632 17.215 -20.116 1.00 1.00 H new ATOM 0 HB3 HIS A 96 -15.117 15.578 -20.511 1.00 1.00 H new ATOM 0 HD2 HIS A 96 -11.893 17.224 -19.675 1.00 1.00 H new ATOM 0 HE1 HIS A 96 -10.793 14.305 -22.523 1.00 1.00 H new ATOM 0 HE2 HIS A 96 -9.875 15.900 -20.740 1.00 1.00 H new ATOM 1573 N HIS A 97 -17.419 16.126 -22.361 1.00 1.00 N ATOM 1574 CA HIS A 97 -18.884 16.188 -22.282 1.00 1.00 C ATOM 1575 C HIS A 97 -19.424 17.339 -23.139 1.00 1.00 C ATOM 1576 O HIS A 97 -20.559 17.783 -22.972 1.00 1.00 O ATOM 1577 CB HIS A 97 -19.334 16.357 -20.817 1.00 1.00 C ATOM 1578 CG HIS A 97 -18.758 15.248 -19.976 1.00 1.00 C ATOM 1579 ND1 HIS A 97 -18.985 13.910 -20.257 1.00 1.00 N ATOM 1580 CD2 HIS A 97 -17.960 15.266 -18.859 1.00 1.00 C ATOM 1581 CE1 HIS A 97 -18.333 13.185 -19.330 1.00 1.00 C ATOM 1582 NE2 HIS A 97 -17.693 13.962 -18.452 1.00 1.00 N ATOM 0 H HIS A 97 -17.057 15.218 -22.652 1.00 1.00 H new ATOM 0 HA HIS A 97 -19.288 15.252 -22.668 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -19.006 17.324 -20.435 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -20.422 16.344 -20.757 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -17.595 16.157 -18.370 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -18.328 12.105 -19.299 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -17.130 13.664 -17.655 1.00 1.00 H new ATOM 1591 N HIS A 98 -18.591 17.822 -24.056 1.00 1.00 N ATOM 1592 CA HIS A 98 -18.956 18.927 -24.958 1.00 1.00 C ATOM 1593 C HIS A 98 -18.121 18.835 -26.240 1.00 1.00 C ATOM 1594 O HIS A 98 -16.997 19.310 -26.229 1.00 1.00 O ATOM 1595 CB HIS A 98 -18.699 20.283 -24.262 1.00 1.00 C ATOM 1596 CG HIS A 98 -19.525 20.383 -23.004 1.00 1.00 C ATOM 1597 ND1 HIS A 98 -20.909 20.390 -23.030 1.00 1.00 N ATOM 1598 CD2 HIS A 98 -19.173 20.486 -21.680 1.00 1.00 C ATOM 1599 CE1 HIS A 98 -21.337 20.495 -21.758 1.00 1.00 C ATOM 1600 NE2 HIS A 98 -20.321 20.555 -20.895 1.00 1.00 N ATOM 1601 OXT HIS A 98 -18.620 18.289 -27.212 1.00 1.00 O ATOM 0 H HIS A 98 -17.646 17.465 -24.200 1.00 1.00 H new ATOM 0 HA HIS A 98 -20.014 18.853 -25.208 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -17.641 20.382 -24.021 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -18.950 21.101 -24.937 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -18.160 20.510 -21.305 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -22.378 20.527 -21.471 1.00 1.00 H new ATOM 0 HE2 HIS A 98 -20.374 20.634 -19.879 1.00 1.00 H new TER 1610 HIS A 98