USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 703 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 77 TYR OH : rot -108:sc= 0.464 USER MOD Set 1.2: A 80 GLN : amide:sc= 0 X(o=0.46,f=0.46) USER MOD Set 2.1: A 13 MET CE :methyl -171:sc= -1.85 (180deg=0) USER MOD Set 2.2: A 72 HIS : no HD1:sc= -2.09 K(o=-3.9,f=-4.7) USER MOD Set 3.1: A 55 HIS : no HE2:sc= -1.33 K(o=-0.58,f=-1.9!) USER MOD Set 3.2: A 88 SER OG : rot -14:sc= 0.748! USER MOD Set 4.1: A 9 LYS NZ :NH3+ 141:sc= -0.226! (180deg=-2.8!) USER MOD Set 4.2: A 61 ASN : amide:sc= -0.305 K(o=-0.14,f=-2.2!) USER MOD Set 4.3: A 75 TYR OH : rot 1:sc= 0.394 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 54:sc= 0.117 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.4 K(o=-0.4,f=-3.3!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0457 USER MOD Single : A 17 MET CE :methyl -159:sc= -2.48 (180deg=-3.43!) USER MOD Single : A 18 GLN :FLIP amide:sc= -1.78 F(o=-2.4!,f=-1.8) USER MOD Single : A 19 GLN :FLIP amide:sc= -4.22! C(o=-5.3!,f=-4.2!) USER MOD Single : A 24 CYS SG : rot -31:sc= -5.72! USER MOD Single : A 26 THR OG1 : rot 81:sc= -0.15 USER MOD Single : A 27 GLN : amide:sc= -0.0162 K(o=-0.016,f=-1.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0549 USER MOD Single : A 51 ASN : amide:sc=-0.00716 X(o=-0.0072,f=-0.084) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0457 USER MOD Single : A 56 CYS SG : rot -170:sc= -3.06! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 2:sc= 0.975 USER MOD Single : A 68 HIS : no HD1:sc= -0.0492 X(o=-0.049,f=-0.23) USER MOD Single : A 70 THR OG1 : rot 24:sc= -2.08! USER MOD Single : A 87 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0934) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.216 21.148 -7.612 1.00 0.00 N ATOM 2 CA MET A 1 -14.025 20.808 -8.372 1.00 0.00 C ATOM 3 C MET A 1 -12.890 20.367 -7.445 1.00 0.00 C ATOM 4 O MET A 1 -11.990 21.150 -7.144 1.00 0.00 O ATOM 5 CB MET A 1 -13.575 22.023 -9.188 1.00 0.00 C ATOM 6 CG MET A 1 -14.316 22.089 -10.525 1.00 0.00 C ATOM 7 SD MET A 1 -13.809 23.541 -11.432 1.00 0.00 S ATOM 8 CE MET A 1 -15.142 23.648 -12.615 1.00 0.00 C ATOM 0 H1 MET A 1 -15.971 21.444 -8.263 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.531 20.318 -7.071 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.999 21.926 -6.957 1.00 0.00 H new ATOM 0 HA MET A 1 -14.267 19.980 -9.039 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.759 22.935 -8.621 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.501 21.969 -9.365 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.108 21.193 -11.110 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.392 22.115 -10.353 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.982 24.507 -13.266 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.170 22.738 -13.215 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.089 23.764 -12.087 1.00 0.00 H new ATOM 18 N SER A 2 -12.969 19.115 -7.021 1.00 0.00 N ATOM 19 CA SER A 2 -11.960 18.560 -6.134 1.00 0.00 C ATOM 20 C SER A 2 -11.887 17.044 -6.309 1.00 0.00 C ATOM 21 O SER A 2 -12.371 16.293 -5.462 1.00 0.00 O ATOM 22 CB SER A 2 -12.253 18.914 -4.675 1.00 0.00 C ATOM 23 OG SER A 2 -13.603 18.627 -4.318 1.00 0.00 O ATOM 0 H SER A 2 -13.716 18.468 -7.275 1.00 0.00 H new ATOM 0 HA SER A 2 -10.996 18.996 -6.397 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.579 18.357 -4.024 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.052 19.973 -4.511 1.00 0.00 H new ATOM 0 HG SER A 2 -13.806 17.692 -4.530 1.00 0.00 H new ATOM 29 N ASP A 3 -11.278 16.634 -7.413 1.00 0.00 N ATOM 30 CA ASP A 3 -11.136 15.219 -7.709 1.00 0.00 C ATOM 31 C ASP A 3 -9.746 14.750 -7.278 1.00 0.00 C ATOM 32 O ASP A 3 -8.759 15.004 -7.965 1.00 0.00 O ATOM 33 CB ASP A 3 -11.282 14.952 -9.209 1.00 0.00 C ATOM 34 CG ASP A 3 -10.592 15.973 -10.115 1.00 0.00 C ATOM 35 OD1 ASP A 3 -9.475 15.742 -10.604 1.00 0.00 O ATOM 36 OD2 ASP A 3 -11.256 17.059 -10.319 1.00 0.00 O ATOM 0 H ASP A 3 -10.877 17.258 -8.113 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.916 14.682 -7.170 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.879 13.963 -9.428 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.343 14.926 -9.457 1.00 0.00 H new ATOM 42 N ARG A 4 -9.712 14.072 -6.139 1.00 0.00 N ATOM 43 CA ARG A 4 -8.459 13.564 -5.608 1.00 0.00 C ATOM 44 C ARG A 4 -8.677 12.202 -4.944 1.00 0.00 C ATOM 45 O ARG A 4 -7.981 11.854 -3.991 1.00 0.00 O ATOM 46 CB ARG A 4 -7.862 14.533 -4.585 1.00 0.00 C ATOM 47 CG ARG A 4 -7.186 15.715 -5.281 1.00 0.00 C ATOM 48 CD ARG A 4 -7.623 17.042 -4.656 1.00 0.00 C ATOM 49 NE ARG A 4 -6.506 18.012 -4.692 1.00 0.00 N ATOM 50 CZ ARG A 4 -6.022 18.568 -5.823 1.00 0.00 C ATOM 51 NH1 ARG A 4 -6.556 18.254 -7.024 1.00 0.00 N ATOM 52 NH2 ARG A 4 -5.022 19.423 -5.738 1.00 0.00 N ATOM 0 H ARG A 4 -10.532 13.863 -5.570 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.764 13.459 -6.441 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.647 14.897 -3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.137 14.009 -3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.103 15.614 -5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.436 15.709 -6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.481 17.443 -5.196 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.942 16.881 -3.626 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.075 18.277 -3.807 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -7.330 17.593 -7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.185 18.678 -7.874 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.626 19.655 -4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.645 19.852 -6.583 1.00 0.00 H new ATOM 65 N LYS A 5 -9.644 11.469 -5.474 1.00 0.00 N ATOM 66 CA LYS A 5 -9.962 10.153 -4.945 1.00 0.00 C ATOM 67 C LYS A 5 -8.680 9.324 -4.849 1.00 0.00 C ATOM 68 O LYS A 5 -7.649 9.701 -5.403 1.00 0.00 O ATOM 69 CB LYS A 5 -11.062 9.493 -5.779 1.00 0.00 C ATOM 70 CG LYS A 5 -12.209 9.011 -4.888 1.00 0.00 C ATOM 71 CD LYS A 5 -13.393 9.979 -4.949 1.00 0.00 C ATOM 72 CE LYS A 5 -13.806 10.428 -3.546 1.00 0.00 C ATOM 73 NZ LYS A 5 -14.839 9.521 -2.996 1.00 0.00 N ATOM 0 H LYS A 5 -10.218 11.761 -6.265 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.365 10.234 -3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.441 10.202 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.648 8.650 -6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.529 8.019 -5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.862 8.920 -3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.126 10.849 -5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.236 9.497 -5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.936 10.438 -2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.190 11.447 -3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.109 9.839 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.675 9.532 -3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.460 8.554 -2.944 1.00 0.00 H new ATOM 85 N ALA A 6 -8.787 8.209 -4.143 1.00 0.00 N ATOM 86 CA ALA A 6 -7.649 7.323 -3.966 1.00 0.00 C ATOM 87 C ALA A 6 -7.258 6.727 -5.320 1.00 0.00 C ATOM 88 O ALA A 6 -7.899 5.793 -5.799 1.00 0.00 O ATOM 89 CB ALA A 6 -7.994 6.247 -2.934 1.00 0.00 C ATOM 0 H ALA A 6 -9.645 7.898 -3.686 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.789 7.875 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.140 5.583 -2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.237 6.720 -1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.851 5.671 -3.282 1.00 0.00 H new ATOM 95 N VAL A 7 -6.208 7.291 -5.898 1.00 0.00 N ATOM 96 CA VAL A 7 -5.726 6.828 -7.188 1.00 0.00 C ATOM 97 C VAL A 7 -4.795 5.630 -6.979 1.00 0.00 C ATOM 98 O VAL A 7 -4.349 5.375 -5.862 1.00 0.00 O ATOM 99 CB VAL A 7 -5.056 7.979 -7.941 1.00 0.00 C ATOM 100 CG1 VAL A 7 -4.360 7.476 -9.207 1.00 0.00 C ATOM 101 CG2 VAL A 7 -6.067 9.080 -8.271 1.00 0.00 C ATOM 0 H VAL A 7 -5.678 8.064 -5.497 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.557 6.492 -7.808 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.295 8.407 -7.289 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.892 8.315 -9.723 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.598 6.745 -8.937 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.093 7.009 -9.864 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.565 9.886 -8.806 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.861 8.670 -8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.496 9.469 -7.347 1.00 0.00 H new ATOM 111 N ILE A 8 -4.532 4.929 -8.071 1.00 0.00 N ATOM 112 CA ILE A 8 -3.663 3.765 -8.021 1.00 0.00 C ATOM 113 C ILE A 8 -2.813 3.715 -9.292 1.00 0.00 C ATOM 114 O ILE A 8 -3.314 3.956 -10.389 1.00 0.00 O ATOM 115 CB ILE A 8 -4.481 2.496 -7.777 1.00 0.00 C ATOM 116 CG1 ILE A 8 -4.715 2.275 -6.282 1.00 0.00 C ATOM 117 CG2 ILE A 8 -3.825 1.285 -8.441 1.00 0.00 C ATOM 118 CD1 ILE A 8 -6.102 2.766 -5.864 1.00 0.00 C ATOM 0 H ILE A 8 -4.905 5.144 -8.996 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.975 3.838 -7.179 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.459 2.625 -8.240 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.615 1.215 -6.048 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.951 2.801 -5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.427 0.396 -8.252 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.754 1.453 -9.516 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.826 1.141 -8.029 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.241 2.597 -4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.190 3.831 -6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.864 2.220 -6.420 1.00 0.00 H new ATOM 130 N LYS A 9 -1.540 3.398 -9.103 1.00 0.00 N ATOM 131 CA LYS A 9 -0.616 3.312 -10.220 1.00 0.00 C ATOM 132 C LYS A 9 -0.537 1.862 -10.701 1.00 0.00 C ATOM 133 O LYS A 9 -1.417 1.396 -11.423 1.00 0.00 O ATOM 134 CB LYS A 9 0.742 3.909 -9.840 1.00 0.00 C ATOM 135 CG LYS A 9 0.726 5.433 -9.969 1.00 0.00 C ATOM 136 CD LYS A 9 0.563 6.096 -8.599 1.00 0.00 C ATOM 137 CE LYS A 9 1.888 6.688 -8.115 1.00 0.00 C ATOM 138 NZ LYS A 9 2.179 6.247 -6.733 1.00 0.00 N ATOM 0 H LYS A 9 -1.127 3.198 -8.192 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.977 3.907 -11.059 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.993 3.630 -8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.518 3.494 -10.483 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.652 5.772 -10.434 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.090 5.738 -10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.190 6.882 -8.659 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.203 5.363 -7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.695 6.379 -8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.842 7.776 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.196 6.051 -6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.907 6.996 -6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.639 5.383 -6.523 1.00 0.00 H new ATOM 150 N ASN A 10 0.525 1.189 -10.283 1.00 0.00 N ATOM 151 CA ASN A 10 0.730 -0.198 -10.662 1.00 0.00 C ATOM 152 C ASN A 10 0.599 -1.085 -9.422 1.00 0.00 C ATOM 153 O ASN A 10 1.342 -0.920 -8.456 1.00 0.00 O ATOM 154 CB ASN A 10 2.126 -0.408 -11.249 1.00 0.00 C ATOM 155 CG ASN A 10 2.045 -0.979 -12.667 1.00 0.00 C ATOM 156 OD1 ASN A 10 0.984 -1.093 -13.257 1.00 0.00 O ATOM 157 ND2 ASN A 10 3.222 -1.327 -13.178 1.00 0.00 N ATOM 0 H ASN A 10 1.253 1.579 -9.685 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.018 -0.457 -11.411 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.664 0.540 -11.265 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.694 -1.086 -10.612 1.00 0.00 H new ATOM 0 HD21 ASN A 10 3.274 -1.716 -14.119 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.073 -1.205 -12.629 1.00 0.00 H new ATOM 164 N ALA A 11 -0.350 -2.007 -9.491 1.00 0.00 N ATOM 165 CA ALA A 11 -0.587 -2.921 -8.386 1.00 0.00 C ATOM 166 C ALA A 11 -1.215 -4.208 -8.921 1.00 0.00 C ATOM 167 O ALA A 11 -2.375 -4.503 -8.635 1.00 0.00 O ATOM 168 CB ALA A 11 -1.465 -2.236 -7.337 1.00 0.00 C ATOM 0 H ALA A 11 -0.964 -2.141 -10.295 1.00 0.00 H new ATOM 0 HA ALA A 11 0.352 -3.189 -7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.643 -2.921 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.961 -1.343 -6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.417 -1.955 -7.787 1.00 0.00 H new ATOM 174 N ASP A 12 -0.422 -4.942 -9.689 1.00 0.00 N ATOM 175 CA ASP A 12 -0.886 -6.191 -10.266 1.00 0.00 C ATOM 176 C ASP A 12 -1.397 -7.105 -9.150 1.00 0.00 C ATOM 177 O ASP A 12 -0.611 -7.766 -8.474 1.00 0.00 O ATOM 178 CB ASP A 12 0.250 -6.918 -10.989 1.00 0.00 C ATOM 179 CG ASP A 12 0.054 -7.085 -12.497 1.00 0.00 C ATOM 180 OD1 ASP A 12 -0.515 -6.211 -13.167 1.00 0.00 O ATOM 181 OD2 ASP A 12 0.522 -8.182 -12.991 1.00 0.00 O ATOM 0 H ASP A 12 0.539 -4.695 -9.925 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.678 -5.960 -10.978 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.178 -6.373 -10.817 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.372 -7.905 -10.542 1.00 0.00 H new ATOM 187 N MET A 13 -2.713 -7.113 -8.993 1.00 0.00 N ATOM 188 CA MET A 13 -3.339 -7.933 -7.971 1.00 0.00 C ATOM 189 C MET A 13 -4.847 -8.047 -8.206 1.00 0.00 C ATOM 190 O MET A 13 -5.386 -7.419 -9.115 1.00 0.00 O ATOM 191 CB MET A 13 -3.083 -7.319 -6.593 1.00 0.00 C ATOM 192 CG MET A 13 -2.673 -8.390 -5.582 1.00 0.00 C ATOM 193 SD MET A 13 -1.105 -9.104 -6.051 1.00 0.00 S ATOM 194 CE MET A 13 -1.574 -10.822 -6.183 1.00 0.00 C ATOM 0 H MET A 13 -3.362 -6.564 -9.557 1.00 0.00 H new ATOM 0 HA MET A 13 -2.905 -8.932 -8.019 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.299 -6.565 -6.667 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.982 -6.811 -6.245 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.600 -7.953 -4.586 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.436 -9.167 -5.533 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.681 -11.434 -6.312 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.095 -11.128 -5.276 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.232 -10.955 -7.042 1.00 0.00 H new ATOM 204 N SER A 14 -5.485 -8.853 -7.371 1.00 0.00 N ATOM 205 CA SER A 14 -6.920 -9.058 -7.476 1.00 0.00 C ATOM 206 C SER A 14 -7.660 -8.027 -6.623 1.00 0.00 C ATOM 207 O SER A 14 -7.176 -7.631 -5.564 1.00 0.00 O ATOM 208 CB SER A 14 -7.307 -10.475 -7.052 1.00 0.00 C ATOM 209 OG SER A 14 -8.715 -10.615 -6.876 1.00 0.00 O ATOM 0 H SER A 14 -5.034 -9.373 -6.618 1.00 0.00 H new ATOM 0 HA SER A 14 -7.208 -8.930 -8.519 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.964 -11.185 -7.804 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.799 -10.726 -6.121 1.00 0.00 H new ATOM 0 HG SER A 14 -8.921 -11.535 -6.607 1.00 0.00 H new ATOM 215 N GLU A 15 -8.822 -7.622 -7.114 1.00 0.00 N ATOM 216 CA GLU A 15 -9.633 -6.646 -6.408 1.00 0.00 C ATOM 217 C GLU A 15 -9.761 -7.028 -4.932 1.00 0.00 C ATOM 218 O GLU A 15 -10.036 -6.177 -4.088 1.00 0.00 O ATOM 219 CB GLU A 15 -11.010 -6.504 -7.060 1.00 0.00 C ATOM 220 CG GLU A 15 -11.520 -5.066 -6.956 1.00 0.00 C ATOM 221 CD GLU A 15 -12.312 -4.672 -8.205 1.00 0.00 C ATOM 222 OE1 GLU A 15 -11.728 -4.166 -9.175 1.00 0.00 O ATOM 223 OE2 GLU A 15 -13.578 -4.913 -8.147 1.00 0.00 O ATOM 0 H GLU A 15 -9.221 -7.952 -7.993 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.136 -5.678 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.952 -6.798 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.716 -7.180 -6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.152 -4.964 -6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.678 -4.386 -6.826 1.00 0.00 H new ATOM 231 N GLU A 16 -9.554 -8.309 -4.667 1.00 0.00 N ATOM 232 CA GLU A 16 -9.643 -8.815 -3.307 1.00 0.00 C ATOM 233 C GLU A 16 -8.636 -8.096 -2.407 1.00 0.00 C ATOM 234 O GLU A 16 -9.022 -7.409 -1.462 1.00 0.00 O ATOM 235 CB GLU A 16 -9.430 -10.330 -3.270 1.00 0.00 C ATOM 236 CG GLU A 16 -10.554 -11.023 -2.499 1.00 0.00 C ATOM 237 CD GLU A 16 -11.041 -12.268 -3.242 1.00 0.00 C ATOM 238 OE1 GLU A 16 -10.418 -13.335 -3.138 1.00 0.00 O ATOM 239 OE2 GLU A 16 -12.108 -12.099 -3.948 1.00 0.00 O ATOM 0 H GLU A 16 -9.325 -9.012 -5.370 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.646 -8.614 -2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.388 -10.720 -4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.471 -10.555 -2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.201 -11.302 -1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.384 -10.331 -2.359 1.00 0.00 H new ATOM 247 N MET A 17 -7.365 -8.279 -2.731 1.00 0.00 N ATOM 248 CA MET A 17 -6.299 -7.658 -1.963 1.00 0.00 C ATOM 249 C MET A 17 -6.124 -6.190 -2.359 1.00 0.00 C ATOM 250 O MET A 17 -5.769 -5.358 -1.524 1.00 0.00 O ATOM 251 CB MET A 17 -4.989 -8.411 -2.205 1.00 0.00 C ATOM 252 CG MET A 17 -3.854 -7.819 -1.368 1.00 0.00 C ATOM 253 SD MET A 17 -2.284 -8.457 -1.930 1.00 0.00 S ATOM 254 CE MET A 17 -1.200 -7.159 -1.358 1.00 0.00 C ATOM 0 H MET A 17 -7.049 -8.849 -3.516 1.00 0.00 H new ATOM 0 HA MET A 17 -6.564 -7.702 -0.907 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.119 -9.464 -1.955 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.728 -8.364 -3.262 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.863 -6.732 -1.445 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.000 -8.065 -0.316 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.268 -7.188 -1.922 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.682 -6.192 -1.503 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.987 -7.303 -0.299 1.00 0.00 H new ATOM 264 N GLN A 18 -6.382 -5.917 -3.628 1.00 0.00 N ATOM 265 CA GLN A 18 -6.258 -4.564 -4.143 1.00 0.00 C ATOM 266 C GLN A 18 -7.287 -3.647 -3.481 1.00 0.00 C ATOM 267 O GLN A 18 -6.959 -2.539 -3.058 1.00 0.00 O ATOM 268 CB GLN A 18 -6.402 -4.542 -5.666 1.00 0.00 C ATOM 269 CG GLN A 18 -6.085 -3.154 -6.227 1.00 0.00 C ATOM 270 CD GLN A 18 -4.842 -3.192 -7.119 1.00 0.00 C ATOM 271 OE1 GLN A 18 -4.878 -2.335 -8.135 1.00 0.00 O flip ATOM 272 NE2 GLN A 18 -3.912 -3.950 -6.898 1.00 0.00 N flip ATOM 0 H GLN A 18 -6.677 -6.610 -4.316 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.262 -4.194 -3.900 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.732 -5.279 -6.109 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.417 -4.827 -5.943 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.936 -2.786 -6.800 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.927 -2.454 -5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.949 -4.583 -6.099 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.097 -3.950 -7.512 1.00 0.00 H new ATOM 281 N GLN A 19 -8.514 -4.142 -3.412 1.00 0.00 N ATOM 282 CA GLN A 19 -9.595 -3.381 -2.808 1.00 0.00 C ATOM 283 C GLN A 19 -9.417 -3.319 -1.290 1.00 0.00 C ATOM 284 O GLN A 19 -9.427 -2.237 -0.704 1.00 0.00 O ATOM 285 CB GLN A 19 -10.956 -3.975 -3.177 1.00 0.00 C ATOM 286 CG GLN A 19 -12.079 -2.961 -2.944 1.00 0.00 C ATOM 287 CD GLN A 19 -11.940 -2.295 -1.574 1.00 0.00 C ATOM 288 OE1 GLN A 19 -11.720 -0.984 -1.630 1.00 0.00 O flip ATOM 289 NE2 GLN A 19 -12.027 -2.928 -0.535 1.00 0.00 N flip ATOM 0 H GLN A 19 -8.784 -5.060 -3.764 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.561 -2.364 -3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.951 -4.283 -4.222 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.140 -4.870 -2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.056 -2.202 -3.726 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.045 -3.461 -3.013 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.197 -3.933 -0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.930 -2.452 0.362 1.00 0.00 H new ATOM 298 N ASP A 20 -9.258 -4.492 -0.696 1.00 0.00 N ATOM 299 CA ASP A 20 -9.078 -4.585 0.743 1.00 0.00 C ATOM 300 C ASP A 20 -7.889 -3.717 1.160 1.00 0.00 C ATOM 301 O ASP A 20 -7.999 -2.907 2.079 1.00 0.00 O ATOM 302 CB ASP A 20 -8.787 -6.025 1.170 1.00 0.00 C ATOM 303 CG ASP A 20 -9.035 -6.323 2.651 1.00 0.00 C ATOM 304 OD1 ASP A 20 -9.590 -5.491 3.385 1.00 0.00 O ATOM 305 OD2 ASP A 20 -8.624 -7.479 3.050 1.00 0.00 O ATOM 0 H ASP A 20 -9.250 -5.387 -1.185 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.997 -4.247 1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.402 -6.697 0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.747 -6.254 0.938 1.00 0.00 H new ATOM 311 N ALA A 21 -6.780 -3.917 0.464 1.00 0.00 N ATOM 312 CA ALA A 21 -5.571 -3.164 0.750 1.00 0.00 C ATOM 313 C ALA A 21 -5.863 -1.668 0.619 1.00 0.00 C ATOM 314 O ALA A 21 -5.902 -0.948 1.616 1.00 0.00 O ATOM 315 CB ALA A 21 -4.450 -3.621 -0.184 1.00 0.00 C ATOM 0 H ALA A 21 -6.693 -4.590 -0.298 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.239 -3.348 1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.544 -3.055 0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.260 -4.683 -0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.747 -3.451 -1.219 1.00 0.00 H new ATOM 321 N VAL A 22 -6.064 -1.244 -0.620 1.00 0.00 N ATOM 322 CA VAL A 22 -6.353 0.155 -0.895 1.00 0.00 C ATOM 323 C VAL A 22 -7.347 0.679 0.144 1.00 0.00 C ATOM 324 O VAL A 22 -7.375 1.873 0.433 1.00 0.00 O ATOM 325 CB VAL A 22 -6.852 0.313 -2.332 1.00 0.00 C ATOM 326 CG1 VAL A 22 -8.364 0.092 -2.416 1.00 0.00 C ATOM 327 CG2 VAL A 22 -6.465 1.680 -2.899 1.00 0.00 C ATOM 0 H VAL A 22 -6.033 -1.843 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.448 0.756 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.368 -0.451 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.692 0.210 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.604 -0.914 -2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.874 0.822 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.832 1.767 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.907 2.466 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.380 1.783 -2.893 1.00 0.00 H new ATOM 337 N ASP A 23 -8.138 -0.241 0.677 1.00 0.00 N ATOM 338 CA ASP A 23 -9.130 0.114 1.678 1.00 0.00 C ATOM 339 C ASP A 23 -8.420 0.602 2.943 1.00 0.00 C ATOM 340 O ASP A 23 -8.646 1.724 3.392 1.00 0.00 O ATOM 341 CB ASP A 23 -9.990 -1.094 2.054 1.00 0.00 C ATOM 342 CG ASP A 23 -11.496 -0.831 2.080 1.00 0.00 C ATOM 343 OD1 ASP A 23 -12.218 -1.148 1.122 1.00 0.00 O ATOM 344 OD2 ASP A 23 -11.933 -0.268 3.156 1.00 0.00 O ATOM 0 H ASP A 23 -8.112 -1.231 0.435 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.767 0.893 1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.789 -1.899 1.347 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.681 -1.449 3.037 1.00 0.00 H new ATOM 350 N CYS A 24 -7.577 -0.267 3.481 1.00 0.00 N ATOM 351 CA CYS A 24 -6.832 0.061 4.686 1.00 0.00 C ATOM 352 C CYS A 24 -5.906 1.236 4.373 1.00 0.00 C ATOM 353 O CYS A 24 -5.716 2.120 5.208 1.00 0.00 O ATOM 354 CB CYS A 24 -6.062 -1.148 5.220 1.00 0.00 C ATOM 355 SG CYS A 24 -4.759 -1.636 4.031 1.00 0.00 S ATOM 0 H CYS A 24 -7.393 -1.197 3.105 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.523 0.347 5.479 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.614 -0.907 6.184 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.746 -1.981 5.385 1.00 0.00 H new ATOM 0 HG CYS A 24 -5.146 -1.352 2.823 1.00 0.00 H new ATOM 361 N ALA A 25 -5.354 1.209 3.169 1.00 0.00 N ATOM 362 CA ALA A 25 -4.451 2.262 2.736 1.00 0.00 C ATOM 363 C ALA A 25 -5.194 3.599 2.739 1.00 0.00 C ATOM 364 O ALA A 25 -4.955 4.445 3.599 1.00 0.00 O ATOM 365 CB ALA A 25 -3.883 1.914 1.358 1.00 0.00 C ATOM 0 H ALA A 25 -5.515 0.475 2.480 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.609 2.351 3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.206 2.704 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.339 0.971 1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.699 1.819 0.642 1.00 0.00 H new ATOM 371 N THR A 26 -6.083 3.749 1.767 1.00 0.00 N ATOM 372 CA THR A 26 -6.863 4.968 1.646 1.00 0.00 C ATOM 373 C THR A 26 -7.462 5.352 3.001 1.00 0.00 C ATOM 374 O THR A 26 -7.337 6.497 3.436 1.00 0.00 O ATOM 375 CB THR A 26 -7.914 4.752 0.556 1.00 0.00 C ATOM 376 OG1 THR A 26 -7.150 4.483 -0.615 1.00 0.00 O ATOM 377 CG2 THR A 26 -8.680 6.032 0.218 1.00 0.00 C ATOM 0 H THR A 26 -6.280 3.045 1.056 1.00 0.00 H new ATOM 0 HA THR A 26 -6.238 5.811 1.350 1.00 0.00 H new ATOM 0 HB THR A 26 -8.617 3.984 0.878 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.866 3.545 -0.612 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.413 5.822 -0.561 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.191 6.396 1.109 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.982 6.791 -0.135 1.00 0.00 H new ATOM 385 N GLN A 27 -8.100 4.377 3.629 1.00 0.00 N ATOM 386 CA GLN A 27 -8.718 4.599 4.925 1.00 0.00 C ATOM 387 C GLN A 27 -7.699 5.178 5.907 1.00 0.00 C ATOM 388 O GLN A 27 -8.005 6.112 6.648 1.00 0.00 O ATOM 389 CB GLN A 27 -9.332 3.308 5.469 1.00 0.00 C ATOM 390 CG GLN A 27 -9.823 3.496 6.905 1.00 0.00 C ATOM 391 CD GLN A 27 -10.853 2.428 7.277 1.00 0.00 C ATOM 392 OE1 GLN A 27 -11.150 1.522 6.515 1.00 0.00 O ATOM 393 NE2 GLN A 27 -11.381 2.583 8.488 1.00 0.00 N ATOM 0 H GLN A 27 -8.203 3.430 3.264 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.525 5.321 4.801 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.163 3.001 4.834 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.593 2.508 5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.978 3.446 7.591 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.265 4.486 7.015 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.088 3.364 9.076 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.078 1.921 8.829 1.00 0.00 H new ATOM 402 N ALA A 28 -6.507 4.599 5.884 1.00 0.00 N ATOM 403 CA ALA A 28 -5.440 5.045 6.764 1.00 0.00 C ATOM 404 C ALA A 28 -5.201 6.541 6.549 1.00 0.00 C ATOM 405 O ALA A 28 -5.234 7.322 7.500 1.00 0.00 O ATOM 406 CB ALA A 28 -4.184 4.211 6.507 1.00 0.00 C ATOM 0 H ALA A 28 -6.257 3.824 5.269 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.718 4.902 7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.384 4.546 7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.399 3.160 6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.873 4.332 5.469 1.00 0.00 H new ATOM 412 N LEU A 29 -4.966 6.896 5.295 1.00 0.00 N ATOM 413 CA LEU A 29 -4.720 8.286 4.943 1.00 0.00 C ATOM 414 C LEU A 29 -5.991 9.101 5.191 1.00 0.00 C ATOM 415 O LEU A 29 -5.949 10.331 5.216 1.00 0.00 O ATOM 416 CB LEU A 29 -4.194 8.391 3.511 1.00 0.00 C ATOM 417 CG LEU A 29 -3.069 9.403 3.285 1.00 0.00 C ATOM 418 CD1 LEU A 29 -1.742 8.694 3.000 1.00 0.00 C ATOM 419 CD2 LEU A 29 -3.437 10.394 2.178 1.00 0.00 C ATOM 0 H LEU A 29 -4.940 6.246 4.509 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.940 8.707 5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.840 7.408 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.026 8.650 2.857 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.938 9.977 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.959 9.436 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.478 8.062 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.843 8.079 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.620 11.102 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.612 9.853 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.341 10.934 2.459 1.00 0.00 H new ATOM 431 N GLU A 30 -7.092 8.384 5.370 1.00 0.00 N ATOM 432 CA GLU A 30 -8.372 9.027 5.616 1.00 0.00 C ATOM 433 C GLU A 30 -8.684 9.030 7.114 1.00 0.00 C ATOM 434 O GLU A 30 -9.759 9.465 7.526 1.00 0.00 O ATOM 435 CB GLU A 30 -9.488 8.344 4.825 1.00 0.00 C ATOM 436 CG GLU A 30 -10.378 9.376 4.131 1.00 0.00 C ATOM 437 CD GLU A 30 -11.425 9.936 5.098 1.00 0.00 C ATOM 438 OE1 GLU A 30 -12.370 9.226 5.468 1.00 0.00 O ATOM 439 OE2 GLU A 30 -11.226 11.156 5.467 1.00 0.00 O ATOM 0 H GLU A 30 -7.124 7.365 5.350 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.310 10.061 5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.055 7.674 4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.091 7.731 5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.764 10.189 3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.875 8.917 3.277 1.00 0.00 H new ATOM 447 N LYS A 31 -7.726 8.542 7.887 1.00 0.00 N ATOM 448 CA LYS A 31 -7.886 8.484 9.330 1.00 0.00 C ATOM 449 C LYS A 31 -6.652 9.092 10.001 1.00 0.00 C ATOM 450 O LYS A 31 -6.772 9.992 10.830 1.00 0.00 O ATOM 451 CB LYS A 31 -8.187 7.052 9.779 1.00 0.00 C ATOM 452 CG LYS A 31 -7.960 6.891 11.283 1.00 0.00 C ATOM 453 CD LYS A 31 -8.693 5.659 11.818 1.00 0.00 C ATOM 454 CE LYS A 31 -10.026 6.050 12.458 1.00 0.00 C ATOM 455 NZ LYS A 31 -10.193 5.373 13.765 1.00 0.00 N ATOM 0 H LYS A 31 -6.836 8.183 7.542 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.745 9.079 9.642 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.219 6.799 9.534 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.550 6.355 9.235 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.893 6.801 11.486 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.309 7.782 11.805 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.868 4.954 11.005 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.068 5.150 12.552 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.068 7.131 12.594 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.848 5.780 11.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.103 5.650 14.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.174 4.342 13.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.419 5.651 14.401 1.00 0.00 H new ATOM 467 N TYR A 32 -5.495 8.575 9.616 1.00 0.00 N ATOM 468 CA TYR A 32 -4.239 9.055 10.169 1.00 0.00 C ATOM 469 C TYR A 32 -3.606 10.109 9.259 1.00 0.00 C ATOM 470 O TYR A 32 -3.931 10.186 8.074 1.00 0.00 O ATOM 471 CB TYR A 32 -3.315 7.836 10.238 1.00 0.00 C ATOM 472 CG TYR A 32 -3.475 7.007 11.514 1.00 0.00 C ATOM 473 CD1 TYR A 32 -4.401 5.985 11.562 1.00 0.00 C ATOM 474 CD2 TYR A 32 -2.692 7.278 12.617 1.00 0.00 C ATOM 475 CE1 TYR A 32 -4.552 5.204 12.761 1.00 0.00 C ATOM 476 CE2 TYR A 32 -2.842 6.498 13.817 1.00 0.00 C ATOM 477 CZ TYR A 32 -3.765 5.499 13.830 1.00 0.00 C ATOM 478 OH TYR A 32 -3.906 4.761 14.964 1.00 0.00 O ATOM 0 H TYR A 32 -5.400 7.828 8.928 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.400 9.514 11.145 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.507 7.198 9.376 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.281 8.172 10.162 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -5.013 5.771 10.698 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.966 8.076 12.580 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.274 4.402 12.811 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -2.236 6.701 14.687 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.278 5.083 15.644 1.00 0.00 H new ATOM 488 N ASN A 33 -2.715 10.893 9.847 1.00 0.00 N ATOM 489 CA ASN A 33 -2.034 11.940 9.103 1.00 0.00 C ATOM 490 C ASN A 33 -0.547 11.593 8.988 1.00 0.00 C ATOM 491 O ASN A 33 0.117 11.999 8.037 1.00 0.00 O ATOM 492 CB ASN A 33 -2.150 13.288 9.816 1.00 0.00 C ATOM 493 CG ASN A 33 -2.322 14.427 8.810 1.00 0.00 C ATOM 494 OD1 ASN A 33 -3.407 14.945 8.598 1.00 0.00 O ATOM 495 ND2 ASN A 33 -1.195 14.787 8.204 1.00 0.00 N ATOM 0 H ASN A 33 -2.449 10.825 10.829 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.499 12.011 8.120 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.999 13.270 10.499 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.259 13.462 10.419 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.204 15.539 7.515 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.321 14.312 8.428 1.00 0.00 H new ATOM 502 N ILE A 34 -0.070 10.845 9.972 1.00 0.00 N ATOM 503 CA ILE A 34 1.325 10.439 9.995 1.00 0.00 C ATOM 504 C ILE A 34 1.514 9.227 9.079 1.00 0.00 C ATOM 505 O ILE A 34 1.491 8.087 9.541 1.00 0.00 O ATOM 506 CB ILE A 34 1.791 10.203 11.433 1.00 0.00 C ATOM 507 CG1 ILE A 34 1.519 11.429 12.307 1.00 0.00 C ATOM 508 CG2 ILE A 34 3.264 9.788 11.470 1.00 0.00 C ATOM 509 CD1 ILE A 34 0.939 11.016 13.662 1.00 0.00 C ATOM 0 H ILE A 34 -0.625 10.509 10.759 1.00 0.00 H new ATOM 0 HA ILE A 34 1.960 11.235 9.606 1.00 0.00 H new ATOM 0 HB ILE A 34 1.212 9.378 11.848 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.444 11.986 12.457 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.824 12.097 11.798 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.571 9.626 12.503 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.397 8.866 10.904 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.875 10.576 11.029 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.754 11.905 14.265 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.002 10.480 13.509 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.647 10.368 14.179 1.00 0.00 H new ATOM 521 N GLU A 35 1.696 9.516 7.800 1.00 0.00 N ATOM 522 CA GLU A 35 1.888 8.464 6.816 1.00 0.00 C ATOM 523 C GLU A 35 2.681 7.305 7.426 1.00 0.00 C ATOM 524 O GLU A 35 2.339 6.141 7.224 1.00 0.00 O ATOM 525 CB GLU A 35 2.583 9.005 5.564 1.00 0.00 C ATOM 526 CG GLU A 35 2.741 7.908 4.508 1.00 0.00 C ATOM 527 CD GLU A 35 3.913 6.984 4.849 1.00 0.00 C ATOM 528 OE1 GLU A 35 3.812 5.761 4.668 1.00 0.00 O ATOM 529 OE2 GLU A 35 4.957 7.579 5.318 1.00 0.00 O ATOM 0 H GLU A 35 1.715 10.463 7.422 1.00 0.00 H new ATOM 0 HA GLU A 35 0.909 8.091 6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.005 9.832 5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.562 9.402 5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.822 7.326 4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.903 8.360 3.530 1.00 0.00 H new ATOM 537 N LYS A 36 3.725 7.665 8.157 1.00 0.00 N ATOM 538 CA LYS A 36 4.569 6.670 8.796 1.00 0.00 C ATOM 539 C LYS A 36 3.687 5.631 9.491 1.00 0.00 C ATOM 540 O LYS A 36 3.852 4.430 9.280 1.00 0.00 O ATOM 541 CB LYS A 36 5.577 7.343 9.731 1.00 0.00 C ATOM 542 CG LYS A 36 6.675 6.363 10.150 1.00 0.00 C ATOM 543 CD LYS A 36 7.377 6.838 11.424 1.00 0.00 C ATOM 544 CE LYS A 36 8.895 6.858 11.239 1.00 0.00 C ATOM 545 NZ LYS A 36 9.314 8.086 10.528 1.00 0.00 N ATOM 0 H LYS A 36 4.006 8.632 8.321 1.00 0.00 H new ATOM 0 HA LYS A 36 5.163 6.140 8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.023 8.203 9.232 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.063 7.719 10.616 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.243 5.376 10.315 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.403 6.262 9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.026 7.836 11.686 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.117 6.180 12.253 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.386 6.808 12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.210 5.979 10.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.347 8.084 10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.859 8.118 9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.030 8.921 11.080 1.00 0.00 H new ATOM 557 N ASP A 37 2.769 6.129 10.306 1.00 0.00 N ATOM 558 CA ASP A 37 1.860 5.258 11.033 1.00 0.00 C ATOM 559 C ASP A 37 0.853 4.649 10.054 1.00 0.00 C ATOM 560 O ASP A 37 0.302 3.579 10.310 1.00 0.00 O ATOM 561 CB ASP A 37 1.078 6.037 12.092 1.00 0.00 C ATOM 562 CG ASP A 37 0.606 5.209 13.289 1.00 0.00 C ATOM 563 OD1 ASP A 37 -0.189 4.270 13.139 1.00 0.00 O ATOM 564 OD2 ASP A 37 1.098 5.566 14.426 1.00 0.00 O ATOM 0 H ASP A 37 2.635 7.125 10.479 1.00 0.00 H new ATOM 0 HA ASP A 37 2.453 4.484 11.520 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.703 6.852 12.457 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.208 6.491 11.618 1.00 0.00 H new ATOM 570 N ILE A 38 0.642 5.357 8.955 1.00 0.00 N ATOM 571 CA ILE A 38 -0.290 4.899 7.937 1.00 0.00 C ATOM 572 C ILE A 38 0.268 3.641 7.271 1.00 0.00 C ATOM 573 O ILE A 38 -0.278 2.551 7.440 1.00 0.00 O ATOM 574 CB ILE A 38 -0.604 6.027 6.954 1.00 0.00 C ATOM 575 CG1 ILE A 38 -1.008 7.305 7.694 1.00 0.00 C ATOM 576 CG2 ILE A 38 -1.667 5.593 5.942 1.00 0.00 C ATOM 577 CD1 ILE A 38 -1.576 8.346 6.726 1.00 0.00 C ATOM 0 H ILE A 38 1.100 6.244 8.746 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.244 4.625 8.388 1.00 0.00 H new ATOM 0 HB ILE A 38 0.303 6.252 6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.751 7.068 8.456 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.142 7.719 8.211 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.872 6.414 5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.305 4.732 5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.583 5.324 6.469 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.855 9.243 7.279 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.822 8.599 5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.456 7.938 6.229 1.00 0.00 H new ATOM 589 N ALA A 39 1.348 3.832 6.528 1.00 0.00 N ATOM 590 CA ALA A 39 1.986 2.725 5.835 1.00 0.00 C ATOM 591 C ALA A 39 2.312 1.620 6.841 1.00 0.00 C ATOM 592 O ALA A 39 2.171 0.436 6.536 1.00 0.00 O ATOM 593 CB ALA A 39 3.229 3.230 5.100 1.00 0.00 C ATOM 0 H ALA A 39 1.798 4.737 6.390 1.00 0.00 H new ATOM 0 HA ALA A 39 1.315 2.303 5.087 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.707 2.399 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.939 3.992 4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.928 3.659 5.819 1.00 0.00 H new ATOM 599 N ALA A 40 2.742 2.044 8.020 1.00 0.00 N ATOM 600 CA ALA A 40 3.089 1.105 9.072 1.00 0.00 C ATOM 601 C ALA A 40 1.825 0.380 9.540 1.00 0.00 C ATOM 602 O ALA A 40 1.884 -0.782 9.940 1.00 0.00 O ATOM 603 CB ALA A 40 3.789 1.849 10.211 1.00 0.00 C ATOM 0 H ALA A 40 2.858 3.026 8.270 1.00 0.00 H new ATOM 0 HA ALA A 40 3.783 0.352 8.700 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.049 1.144 11.000 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.696 2.322 9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.122 2.612 10.612 1.00 0.00 H new ATOM 609 N TYR A 41 0.712 1.095 9.474 1.00 0.00 N ATOM 610 CA TYR A 41 -0.563 0.534 9.886 1.00 0.00 C ATOM 611 C TYR A 41 -1.110 -0.421 8.824 1.00 0.00 C ATOM 612 O TYR A 41 -1.758 -1.415 9.152 1.00 0.00 O ATOM 613 CB TYR A 41 -1.519 1.721 10.028 1.00 0.00 C ATOM 614 CG TYR A 41 -2.999 1.345 9.919 1.00 0.00 C ATOM 615 CD1 TYR A 41 -3.570 1.145 8.679 1.00 0.00 C ATOM 616 CD2 TYR A 41 -3.761 1.204 11.062 1.00 0.00 C ATOM 617 CE1 TYR A 41 -4.962 0.792 8.577 1.00 0.00 C ATOM 618 CE2 TYR A 41 -5.153 0.850 10.959 1.00 0.00 C ATOM 619 CZ TYR A 41 -5.684 0.661 9.721 1.00 0.00 C ATOM 620 OH TYR A 41 -6.999 0.328 9.625 1.00 0.00 O ATOM 0 H TYR A 41 0.667 2.058 9.141 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.454 -0.029 10.813 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.346 2.200 10.992 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.284 2.457 9.259 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.973 1.253 7.785 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.313 1.359 12.032 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.422 0.635 7.613 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.761 0.737 11.844 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.388 0.269 10.523 1.00 0.00 H new ATOM 630 N ILE A 42 -0.830 -0.088 7.572 1.00 0.00 N ATOM 631 CA ILE A 42 -1.287 -0.903 6.461 1.00 0.00 C ATOM 632 C ILE A 42 -0.583 -2.262 6.508 1.00 0.00 C ATOM 633 O ILE A 42 -1.236 -3.304 6.476 1.00 0.00 O ATOM 634 CB ILE A 42 -1.098 -0.160 5.137 1.00 0.00 C ATOM 635 CG1 ILE A 42 -1.757 1.220 5.185 1.00 0.00 C ATOM 636 CG2 ILE A 42 -1.603 -0.997 3.960 1.00 0.00 C ATOM 637 CD1 ILE A 42 -0.995 2.221 4.315 1.00 0.00 C ATOM 0 H ILE A 42 -0.292 0.736 7.303 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.357 -1.093 6.544 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.031 -0.002 4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.789 1.146 4.842 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.788 1.577 6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.457 -0.445 3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.049 -1.935 3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.664 -1.209 4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.484 3.194 4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.030 2.310 4.676 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.987 1.873 3.282 1.00 0.00 H new ATOM 649 N LYS A 43 0.738 -2.206 6.584 1.00 0.00 N ATOM 650 CA LYS A 43 1.536 -3.419 6.637 1.00 0.00 C ATOM 651 C LYS A 43 1.157 -4.221 7.883 1.00 0.00 C ATOM 652 O LYS A 43 0.921 -5.425 7.803 1.00 0.00 O ATOM 653 CB LYS A 43 3.026 -3.083 6.553 1.00 0.00 C ATOM 654 CG LYS A 43 3.883 -4.263 7.016 1.00 0.00 C ATOM 655 CD LYS A 43 4.685 -3.901 8.266 1.00 0.00 C ATOM 656 CE LYS A 43 4.114 -4.595 9.505 1.00 0.00 C ATOM 657 NZ LYS A 43 5.101 -4.578 10.610 1.00 0.00 N ATOM 0 H LYS A 43 1.276 -1.340 6.610 1.00 0.00 H new ATOM 0 HA LYS A 43 1.325 -4.051 5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.286 -2.821 5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.240 -2.210 7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.244 -5.121 7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.562 -4.559 6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.727 -4.191 8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.671 -2.821 8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.198 -4.095 9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.848 -5.624 9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.698 -5.053 11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.964 -5.075 10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.335 -3.594 10.852 1.00 0.00 H new ATOM 669 N LYS A 44 1.109 -3.520 9.007 1.00 0.00 N ATOM 670 CA LYS A 44 0.762 -4.152 10.269 1.00 0.00 C ATOM 671 C LYS A 44 -0.637 -4.764 10.159 1.00 0.00 C ATOM 672 O LYS A 44 -0.868 -5.878 10.629 1.00 0.00 O ATOM 673 CB LYS A 44 0.909 -3.159 11.424 1.00 0.00 C ATOM 674 CG LYS A 44 0.315 -3.727 12.714 1.00 0.00 C ATOM 675 CD LYS A 44 0.194 -2.641 13.785 1.00 0.00 C ATOM 676 CE LYS A 44 -1.244 -2.126 13.884 1.00 0.00 C ATOM 677 NZ LYS A 44 -1.831 -2.477 15.196 1.00 0.00 N ATOM 0 H LYS A 44 1.305 -2.521 9.070 1.00 0.00 H new ATOM 0 HA LYS A 44 1.452 -4.967 10.490 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.963 -2.926 11.576 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.410 -2.224 11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.667 -4.153 12.510 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.944 -4.538 13.082 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.508 -3.040 14.749 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.864 -1.815 13.548 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.259 -1.044 13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.846 -2.555 13.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.807 -2.120 15.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.834 -3.511 15.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.265 -2.047 15.956 1.00 0.00 H new ATOM 689 N GLU A 45 -1.531 -4.010 9.538 1.00 0.00 N ATOM 690 CA GLU A 45 -2.900 -4.465 9.361 1.00 0.00 C ATOM 691 C GLU A 45 -2.925 -5.790 8.597 1.00 0.00 C ATOM 692 O GLU A 45 -3.623 -6.724 8.988 1.00 0.00 O ATOM 693 CB GLU A 45 -3.742 -3.404 8.649 1.00 0.00 C ATOM 694 CG GLU A 45 -5.208 -3.836 8.562 1.00 0.00 C ATOM 695 CD GLU A 45 -5.729 -3.720 7.130 1.00 0.00 C ATOM 696 OE1 GLU A 45 -4.936 -3.738 6.177 1.00 0.00 O ATOM 697 OE2 GLU A 45 -7.010 -3.608 7.022 1.00 0.00 O ATOM 0 H GLU A 45 -1.335 -3.087 9.151 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.338 -4.629 10.345 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.669 -2.457 9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.349 -3.235 7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.309 -4.865 8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.813 -3.217 9.224 1.00 0.00 H new ATOM 705 N PHE A 46 -2.155 -5.828 7.518 1.00 0.00 N ATOM 706 CA PHE A 46 -2.079 -7.023 6.695 1.00 0.00 C ATOM 707 C PHE A 46 -1.259 -8.114 7.385 1.00 0.00 C ATOM 708 O PHE A 46 -1.804 -9.135 7.803 1.00 0.00 O ATOM 709 CB PHE A 46 -1.383 -6.624 5.392 1.00 0.00 C ATOM 710 CG PHE A 46 -2.326 -6.509 4.194 1.00 0.00 C ATOM 711 CD1 PHE A 46 -3.501 -5.832 4.313 1.00 0.00 C ATOM 712 CD2 PHE A 46 -1.992 -7.083 3.007 1.00 0.00 C ATOM 713 CE1 PHE A 46 -4.375 -5.724 3.200 1.00 0.00 C ATOM 714 CE2 PHE A 46 -2.866 -6.975 1.894 1.00 0.00 C ATOM 715 CZ PHE A 46 -4.040 -6.298 2.014 1.00 0.00 C ATOM 0 H PHE A 46 -1.579 -5.051 7.195 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.080 -7.417 6.518 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.880 -5.668 5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.611 -7.359 5.165 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.768 -5.377 5.255 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.061 -7.622 2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.306 -5.186 3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.599 -7.430 0.952 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.706 -6.217 1.167 1.00 0.00 H new ATOM 725 N ASP A 47 0.037 -7.861 7.483 1.00 0.00 N ATOM 726 CA ASP A 47 0.939 -8.810 8.115 1.00 0.00 C ATOM 727 C ASP A 47 0.231 -9.468 9.301 1.00 0.00 C ATOM 728 O ASP A 47 0.410 -10.658 9.552 1.00 0.00 O ATOM 729 CB ASP A 47 2.193 -8.110 8.644 1.00 0.00 C ATOM 730 CG ASP A 47 2.300 -8.036 10.168 1.00 0.00 C ATOM 731 OD1 ASP A 47 2.340 -6.944 10.753 1.00 0.00 O ATOM 732 OD2 ASP A 47 2.341 -9.178 10.767 1.00 0.00 O ATOM 0 H ASP A 47 0.485 -7.013 7.136 1.00 0.00 H new ATOM 0 HA ASP A 47 1.226 -9.550 7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.070 -8.629 8.258 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.221 -7.097 8.244 1.00 0.00 H new ATOM 738 N LYS A 48 -0.560 -8.664 9.998 1.00 0.00 N ATOM 739 CA LYS A 48 -1.296 -9.154 11.150 1.00 0.00 C ATOM 740 C LYS A 48 -1.658 -10.624 10.932 1.00 0.00 C ATOM 741 O LYS A 48 -0.958 -11.516 11.409 1.00 0.00 O ATOM 742 CB LYS A 48 -2.503 -8.258 11.434 1.00 0.00 C ATOM 743 CG LYS A 48 -3.343 -8.818 12.585 1.00 0.00 C ATOM 744 CD LYS A 48 -3.041 -8.081 13.891 1.00 0.00 C ATOM 745 CE LYS A 48 -4.055 -6.961 14.136 1.00 0.00 C ATOM 746 NZ LYS A 48 -4.752 -7.168 15.426 1.00 0.00 N ATOM 0 H LYS A 48 -0.707 -7.677 9.786 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.676 -9.109 12.046 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.164 -7.252 11.682 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.117 -8.175 10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.402 -8.724 12.346 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.137 -9.881 12.707 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.063 -8.785 14.723 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.035 -7.664 13.853 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.547 -5.997 14.141 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.781 -6.935 13.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.437 -6.400 15.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.253 -8.079 15.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.057 -7.170 16.200 1.00 0.00 H new ATOM 758 N LYS A 49 -2.750 -10.831 10.212 1.00 0.00 N ATOM 759 CA LYS A 49 -3.212 -12.178 9.924 1.00 0.00 C ATOM 760 C LYS A 49 -3.469 -12.315 8.422 1.00 0.00 C ATOM 761 O LYS A 49 -4.615 -12.440 7.992 1.00 0.00 O ATOM 762 CB LYS A 49 -4.427 -12.523 10.789 1.00 0.00 C ATOM 763 CG LYS A 49 -4.535 -14.033 11.006 1.00 0.00 C ATOM 764 CD LYS A 49 -5.725 -14.375 11.906 1.00 0.00 C ATOM 765 CE LYS A 49 -5.537 -15.742 12.567 1.00 0.00 C ATOM 766 NZ LYS A 49 -4.758 -15.610 13.818 1.00 0.00 N ATOM 0 H LYS A 49 -3.329 -10.088 9.819 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.445 -12.907 10.184 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.347 -12.019 11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.335 -12.155 10.311 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.646 -14.535 10.045 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.615 -14.406 11.456 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.838 -13.609 12.673 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.643 -14.375 11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.509 -16.185 12.782 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.024 -16.416 11.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.640 -16.547 14.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.823 -15.207 13.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.263 -14.983 14.477 1.00 0.00 H new ATOM 778 N TYR A 50 -2.382 -12.288 7.664 1.00 0.00 N ATOM 779 CA TYR A 50 -2.475 -12.408 6.218 1.00 0.00 C ATOM 780 C TYR A 50 -1.309 -13.225 5.661 1.00 0.00 C ATOM 781 O TYR A 50 -1.498 -14.348 5.195 1.00 0.00 O ATOM 782 CB TYR A 50 -2.391 -10.981 5.671 1.00 0.00 C ATOM 783 CG TYR A 50 -2.949 -10.824 4.255 1.00 0.00 C ATOM 784 CD1 TYR A 50 -2.446 -11.593 3.225 1.00 0.00 C ATOM 785 CD2 TYR A 50 -3.958 -9.915 4.008 1.00 0.00 C ATOM 786 CE1 TYR A 50 -2.970 -11.445 1.893 1.00 0.00 C ATOM 787 CE2 TYR A 50 -4.482 -9.767 2.676 1.00 0.00 C ATOM 788 CZ TYR A 50 -3.964 -10.540 1.684 1.00 0.00 C ATOM 789 OH TYR A 50 -4.461 -10.401 0.425 1.00 0.00 O ATOM 0 H TYR A 50 -1.433 -12.185 8.023 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.399 -12.911 5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.934 -10.314 6.340 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.349 -10.661 5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.659 -12.306 3.419 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.354 -9.315 4.814 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.583 -12.039 1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.269 -9.058 2.469 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.166 -9.720 0.425 1.00 0.00 H new ATOM 799 N ASN A 51 -0.126 -12.630 5.725 1.00 0.00 N ATOM 800 CA ASN A 51 1.072 -13.289 5.232 1.00 0.00 C ATOM 801 C ASN A 51 2.288 -12.406 5.518 1.00 0.00 C ATOM 802 O ASN A 51 2.844 -11.798 4.606 1.00 0.00 O ATOM 803 CB ASN A 51 0.993 -13.514 3.722 1.00 0.00 C ATOM 804 CG ASN A 51 1.652 -14.837 3.329 1.00 0.00 C ATOM 805 OD1 ASN A 51 2.761 -15.151 3.731 1.00 0.00 O ATOM 806 ND2 ASN A 51 0.913 -15.592 2.522 1.00 0.00 N ATOM 0 H ASN A 51 0.028 -11.698 6.111 1.00 0.00 H new ATOM 0 HA ASN A 51 1.160 -14.252 5.735 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.050 -13.515 3.405 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.483 -12.691 3.202 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.266 -16.494 2.202 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.007 -15.270 2.223 1.00 0.00 H new ATOM 813 N PRO A 52 2.675 -12.365 6.820 1.00 0.00 N ATOM 814 CA PRO A 52 3.816 -11.567 7.238 1.00 0.00 C ATOM 815 C PRO A 52 5.131 -12.236 6.833 1.00 0.00 C ATOM 816 O PRO A 52 5.166 -13.439 6.579 1.00 0.00 O ATOM 817 CB PRO A 52 3.663 -11.420 8.743 1.00 0.00 C ATOM 818 CG PRO A 52 2.709 -12.521 9.176 1.00 0.00 C ATOM 819 CD PRO A 52 2.040 -13.073 7.928 1.00 0.00 C ATOM 0 HA PRO A 52 3.845 -10.589 6.757 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.626 -11.518 9.245 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.268 -10.437 9.001 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.249 -13.309 9.701 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.963 -12.130 9.868 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.186 -14.150 7.845 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.964 -12.897 7.945 1.00 0.00 H new ATOM 827 N THR A 53 6.179 -11.428 6.784 1.00 0.00 N ATOM 828 CA THR A 53 6.050 -10.016 7.100 1.00 0.00 C ATOM 829 C THR A 53 5.967 -9.187 5.817 1.00 0.00 C ATOM 830 O THR A 53 6.466 -9.604 4.772 1.00 0.00 O ATOM 831 CB THR A 53 7.222 -9.623 8.002 1.00 0.00 C ATOM 832 OG1 THR A 53 7.046 -8.226 8.213 1.00 0.00 O ATOM 833 CG2 THR A 53 8.571 -9.725 7.287 1.00 0.00 C ATOM 0 H THR A 53 7.122 -11.724 6.530 1.00 0.00 H new ATOM 0 HA THR A 53 5.124 -9.816 7.640 1.00 0.00 H new ATOM 0 HB THR A 53 7.230 -10.262 8.885 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.763 -7.889 8.790 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.368 -9.435 7.971 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.731 -10.751 6.957 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.576 -9.061 6.423 1.00 0.00 H new ATOM 841 N TRP A 54 5.334 -8.030 5.937 1.00 0.00 N ATOM 842 CA TRP A 54 5.181 -7.140 4.799 1.00 0.00 C ATOM 843 C TRP A 54 6.150 -5.969 4.980 1.00 0.00 C ATOM 844 O TRP A 54 6.700 -5.777 6.063 1.00 0.00 O ATOM 845 CB TRP A 54 3.726 -6.693 4.645 1.00 0.00 C ATOM 846 CG TRP A 54 2.742 -7.842 4.414 1.00 0.00 C ATOM 847 CD1 TRP A 54 2.368 -8.794 5.281 1.00 0.00 C ATOM 848 CD2 TRP A 54 2.019 -8.123 3.198 1.00 0.00 C ATOM 849 NE1 TRP A 54 1.461 -9.665 4.713 1.00 0.00 N ATOM 850 CE2 TRP A 54 1.241 -9.243 3.406 1.00 0.00 C ATOM 851 CE3 TRP A 54 2.021 -7.452 1.962 1.00 0.00 C ATOM 852 CZ2 TRP A 54 0.409 -9.793 2.424 1.00 0.00 C ATOM 853 CZ3 TRP A 54 1.184 -8.014 0.990 1.00 0.00 C ATOM 854 CH2 TRP A 54 0.396 -9.142 1.185 1.00 0.00 C ATOM 0 H TRP A 54 4.921 -7.688 6.805 1.00 0.00 H new ATOM 0 HA TRP A 54 5.428 -7.655 3.871 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.428 -6.148 5.540 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.657 -5.996 3.810 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.731 -8.869 6.295 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.031 -10.470 5.168 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.621 -6.573 1.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.190 -10.672 2.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.148 -7.538 0.021 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.224 -9.515 0.383 1.00 0.00 H new ATOM 865 N HIS A 55 6.328 -5.218 3.903 1.00 0.00 N ATOM 866 CA HIS A 55 7.220 -4.072 3.929 1.00 0.00 C ATOM 867 C HIS A 55 6.613 -2.928 3.113 1.00 0.00 C ATOM 868 O HIS A 55 6.470 -3.040 1.896 1.00 0.00 O ATOM 869 CB HIS A 55 8.620 -4.462 3.452 1.00 0.00 C ATOM 870 CG HIS A 55 9.240 -5.599 4.230 1.00 0.00 C ATOM 871 ND1 HIS A 55 10.110 -5.398 5.288 1.00 0.00 N ATOM 872 CD2 HIS A 55 9.105 -6.951 4.094 1.00 0.00 C ATOM 873 CE1 HIS A 55 10.476 -6.581 5.759 1.00 0.00 C ATOM 874 NE2 HIS A 55 9.852 -7.542 5.017 1.00 0.00 N ATOM 0 H HIS A 55 5.869 -5.381 3.007 1.00 0.00 H new ATOM 0 HA HIS A 55 7.333 -3.720 4.954 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.569 -4.741 2.399 1.00 0.00 H new ATOM 0 HB3 HIS A 55 9.272 -3.591 3.520 1.00 0.00 H new ATOM 0 HD1 HIS A 55 10.417 -4.493 5.644 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.494 -7.454 3.359 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.150 -6.755 6.585 1.00 0.00 H new ATOM 882 N CYS A 56 6.273 -1.859 3.815 1.00 0.00 N ATOM 883 CA CYS A 56 5.685 -0.697 3.171 1.00 0.00 C ATOM 884 C CYS A 56 6.705 0.442 3.207 1.00 0.00 C ATOM 885 O CYS A 56 7.472 0.562 4.161 1.00 0.00 O ATOM 886 CB CYS A 56 4.360 -0.298 3.824 1.00 0.00 C ATOM 887 SG CYS A 56 3.439 0.842 2.728 1.00 0.00 S ATOM 0 H CYS A 56 6.393 -1.772 4.824 1.00 0.00 H new ATOM 0 HA CYS A 56 5.446 -0.936 2.135 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.761 -1.187 4.023 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.549 0.181 4.785 1.00 0.00 H new ATOM 0 HG CYS A 56 2.424 1.337 3.372 1.00 0.00 H new ATOM 893 N ILE A 57 6.683 1.249 2.157 1.00 0.00 N ATOM 894 CA ILE A 57 7.597 2.373 2.057 1.00 0.00 C ATOM 895 C ILE A 57 6.825 3.614 1.598 1.00 0.00 C ATOM 896 O ILE A 57 5.764 3.498 0.988 1.00 0.00 O ATOM 897 CB ILE A 57 8.783 2.021 1.159 1.00 0.00 C ATOM 898 CG1 ILE A 57 9.810 1.174 1.913 1.00 0.00 C ATOM 899 CG2 ILE A 57 9.411 3.282 0.560 1.00 0.00 C ATOM 900 CD1 ILE A 57 11.190 1.274 1.261 1.00 0.00 C ATOM 0 H ILE A 57 6.046 1.146 1.367 1.00 0.00 H new ATOM 0 HA ILE A 57 8.023 2.605 3.033 1.00 0.00 H new ATOM 0 HB ILE A 57 8.415 1.418 0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.869 1.506 2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.486 0.133 1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.252 3.003 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.667 3.811 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.761 3.931 1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 57 11.900 0.662 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.133 0.919 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 57 11.522 2.312 1.268 1.00 0.00 H new ATOM 912 N VAL A 58 7.390 4.771 1.911 1.00 0.00 N ATOM 913 CA VAL A 58 6.768 6.031 1.540 1.00 0.00 C ATOM 914 C VAL A 58 7.826 6.960 0.942 1.00 0.00 C ATOM 915 O VAL A 58 8.529 7.657 1.673 1.00 0.00 O ATOM 916 CB VAL A 58 6.052 6.637 2.748 1.00 0.00 C ATOM 917 CG1 VAL A 58 6.969 6.665 3.972 1.00 0.00 C ATOM 918 CG2 VAL A 58 5.524 8.038 2.426 1.00 0.00 C ATOM 0 H VAL A 58 8.271 4.862 2.417 1.00 0.00 H new ATOM 0 HA VAL A 58 6.007 5.872 0.776 1.00 0.00 H new ATOM 0 HB VAL A 58 5.198 6.003 2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.435 7.101 4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.275 5.649 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.852 7.266 3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.019 8.447 3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.356 8.686 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.820 7.980 1.596 1.00 0.00 H new ATOM 928 N GLY A 59 7.907 6.941 -0.379 1.00 0.00 N ATOM 929 CA GLY A 59 8.868 7.773 -1.083 1.00 0.00 C ATOM 930 C GLY A 59 8.203 8.521 -2.240 1.00 0.00 C ATOM 931 O GLY A 59 7.639 9.597 -2.045 1.00 0.00 O ATOM 0 H GLY A 59 7.322 6.362 -0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.311 8.488 -0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.680 7.154 -1.465 1.00 0.00 H new ATOM 935 N ARG A 60 8.289 7.921 -3.418 1.00 0.00 N ATOM 936 CA ARG A 60 7.704 8.518 -4.606 1.00 0.00 C ATOM 937 C ARG A 60 7.412 7.440 -5.653 1.00 0.00 C ATOM 938 O ARG A 60 6.358 7.453 -6.286 1.00 0.00 O ATOM 939 CB ARG A 60 8.635 9.569 -5.212 1.00 0.00 C ATOM 940 CG ARG A 60 8.053 10.975 -5.054 1.00 0.00 C ATOM 941 CD ARG A 60 9.076 11.926 -4.432 1.00 0.00 C ATOM 942 NE ARG A 60 9.496 12.939 -5.425 1.00 0.00 N ATOM 943 CZ ARG A 60 10.376 12.704 -6.422 1.00 0.00 C ATOM 944 NH1 ARG A 60 10.937 11.485 -6.565 1.00 0.00 N ATOM 945 NH2 ARG A 60 10.677 13.684 -7.253 1.00 0.00 N ATOM 0 H ARG A 60 8.755 7.027 -3.575 1.00 0.00 H new ATOM 0 HA ARG A 60 6.774 9.003 -4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.610 9.519 -4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.793 9.354 -6.269 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.743 11.355 -6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.161 10.935 -4.428 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.645 12.417 -3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.943 11.364 -4.085 1.00 0.00 H new ATOM 0 HE ARG A 60 9.096 13.874 -5.352 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.697 10.734 -5.918 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.601 11.315 -7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.247 14.602 -7.137 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.340 13.524 -8.012 1.00 0.00 H new ATOM 958 N ASN A 61 8.365 6.532 -5.802 1.00 0.00 N ATOM 959 CA ASN A 61 8.224 5.449 -6.760 1.00 0.00 C ATOM 960 C ASN A 61 8.037 4.130 -6.009 1.00 0.00 C ATOM 961 O ASN A 61 7.819 4.126 -4.798 1.00 0.00 O ATOM 962 CB ASN A 61 9.473 5.321 -7.635 1.00 0.00 C ATOM 963 CG ASN A 61 9.171 5.715 -9.082 1.00 0.00 C ATOM 964 OD1 ASN A 61 8.167 6.337 -9.387 1.00 0.00 O ATOM 965 ND2 ASN A 61 10.095 5.319 -9.954 1.00 0.00 N ATOM 0 H ASN A 61 9.238 6.524 -5.275 1.00 0.00 H new ATOM 0 HA ASN A 61 7.362 5.668 -7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 61 10.265 5.956 -7.239 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.841 4.295 -7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.986 5.533 -10.945 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.912 4.801 -9.631 1.00 0.00 H new ATOM 972 N PHE A 62 8.129 3.040 -6.758 1.00 0.00 N ATOM 973 CA PHE A 62 7.973 1.718 -6.177 1.00 0.00 C ATOM 974 C PHE A 62 9.288 0.937 -6.228 1.00 0.00 C ATOM 975 O PHE A 62 9.429 0.005 -7.016 1.00 0.00 O ATOM 976 CB PHE A 62 6.924 0.982 -7.015 1.00 0.00 C ATOM 977 CG PHE A 62 7.024 1.258 -8.516 1.00 0.00 C ATOM 978 CD1 PHE A 62 6.449 2.374 -9.042 1.00 0.00 C ATOM 979 CD2 PHE A 62 7.686 0.389 -9.326 1.00 0.00 C ATOM 980 CE1 PHE A 62 6.541 2.630 -10.436 1.00 0.00 C ATOM 981 CE2 PHE A 62 7.778 0.645 -10.720 1.00 0.00 C ATOM 982 CZ PHE A 62 7.204 1.760 -11.245 1.00 0.00 C ATOM 0 H PHE A 62 8.310 3.046 -7.762 1.00 0.00 H new ATOM 0 HA PHE A 62 7.673 1.804 -5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.025 -0.090 -6.845 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.931 1.268 -6.668 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.923 3.065 -8.400 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.142 -0.497 -8.909 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.085 3.515 -10.854 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.304 -0.046 -11.363 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.274 1.955 -12.305 1.00 0.00 H new ATOM 992 N GLY A 63 10.216 1.349 -5.376 1.00 0.00 N ATOM 993 CA GLY A 63 11.514 0.700 -5.314 1.00 0.00 C ATOM 994 C GLY A 63 11.989 0.288 -6.709 1.00 0.00 C ATOM 995 O GLY A 63 11.755 1.001 -7.684 1.00 0.00 O ATOM 0 H GLY A 63 10.094 2.124 -4.724 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.241 1.376 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.455 -0.179 -4.672 1.00 0.00 H new ATOM 999 N SER A 64 12.645 -0.862 -6.760 1.00 0.00 N ATOM 1000 CA SER A 64 13.154 -1.378 -8.020 1.00 0.00 C ATOM 1001 C SER A 64 12.097 -2.257 -8.691 1.00 0.00 C ATOM 1002 O SER A 64 11.889 -2.169 -9.900 1.00 0.00 O ATOM 1003 CB SER A 64 14.447 -2.169 -7.808 1.00 0.00 C ATOM 1004 OG SER A 64 15.461 -1.380 -7.192 1.00 0.00 O ATOM 0 H SER A 64 12.836 -1.451 -5.949 1.00 0.00 H new ATOM 0 HA SER A 64 13.379 -0.533 -8.670 1.00 0.00 H new ATOM 0 HB2 SER A 64 14.241 -3.042 -7.189 1.00 0.00 H new ATOM 0 HB3 SER A 64 14.808 -2.538 -8.768 1.00 0.00 H new ATOM 0 HG SER A 64 16.269 -1.921 -7.072 1.00 0.00 H new ATOM 1010 N TYR A 65 11.458 -3.083 -7.877 1.00 0.00 N ATOM 1011 CA TYR A 65 10.427 -3.978 -8.377 1.00 0.00 C ATOM 1012 C TYR A 65 10.995 -4.939 -9.422 1.00 0.00 C ATOM 1013 O TYR A 65 11.144 -6.131 -9.159 1.00 0.00 O ATOM 1014 CB TYR A 65 9.379 -3.082 -9.041 1.00 0.00 C ATOM 1015 CG TYR A 65 8.725 -3.702 -10.278 1.00 0.00 C ATOM 1016 CD1 TYR A 65 7.978 -4.856 -10.159 1.00 0.00 C ATOM 1017 CD2 TYR A 65 8.883 -3.106 -11.513 1.00 0.00 C ATOM 1018 CE1 TYR A 65 7.363 -5.439 -11.323 1.00 0.00 C ATOM 1019 CE2 TYR A 65 8.269 -3.690 -12.677 1.00 0.00 C ATOM 1020 CZ TYR A 65 7.539 -4.827 -12.525 1.00 0.00 C ATOM 1021 OH TYR A 65 6.958 -5.378 -13.625 1.00 0.00 O ATOM 0 H TYR A 65 11.633 -3.152 -6.875 1.00 0.00 H new ATOM 0 HA TYR A 65 10.012 -4.578 -7.567 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.604 -2.846 -8.312 1.00 0.00 H new ATOM 0 HB3 TYR A 65 9.848 -2.140 -9.324 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.855 -5.322 -9.193 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.467 -2.202 -11.606 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.775 -6.342 -11.244 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.386 -3.235 -13.649 1.00 0.00 H new ATOM 0 HH TYR A 65 7.167 -4.834 -14.413 1.00 0.00 H new ATOM 1031 N VAL A 66 11.298 -4.385 -10.587 1.00 0.00 N ATOM 1032 CA VAL A 66 11.847 -5.178 -11.673 1.00 0.00 C ATOM 1033 C VAL A 66 13.338 -5.416 -11.423 1.00 0.00 C ATOM 1034 O VAL A 66 14.173 -5.075 -12.259 1.00 0.00 O ATOM 1035 CB VAL A 66 11.567 -4.495 -13.013 1.00 0.00 C ATOM 1036 CG1 VAL A 66 12.189 -3.096 -13.056 1.00 0.00 C ATOM 1037 CG2 VAL A 66 12.064 -5.352 -14.180 1.00 0.00 C ATOM 0 H VAL A 66 11.173 -3.396 -10.802 1.00 0.00 H new ATOM 0 HA VAL A 66 11.365 -6.155 -11.714 1.00 0.00 H new ATOM 0 HB VAL A 66 10.487 -4.385 -13.114 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.975 -2.632 -14.019 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.767 -2.485 -12.258 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.268 -3.173 -12.922 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.853 -4.844 -15.121 1.00 0.00 H new ATOM 0 HG22 VAL A 66 13.139 -5.508 -14.085 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.555 -6.316 -14.166 1.00 0.00 H new ATOM 1047 N THR A 67 13.625 -6.000 -10.270 1.00 0.00 N ATOM 1048 CA THR A 67 15.001 -6.287 -9.898 1.00 0.00 C ATOM 1049 C THR A 67 15.054 -7.459 -8.915 1.00 0.00 C ATOM 1050 O THR A 67 15.666 -8.486 -9.200 1.00 0.00 O ATOM 1051 CB THR A 67 15.620 -5.002 -9.346 1.00 0.00 C ATOM 1052 OG1 THR A 67 15.893 -4.222 -10.507 1.00 0.00 O ATOM 1053 CG2 THR A 67 16.997 -5.236 -8.723 1.00 0.00 C ATOM 0 H THR A 67 12.929 -6.283 -9.580 1.00 0.00 H new ATOM 0 HA THR A 67 15.587 -6.601 -10.762 1.00 0.00 H new ATOM 0 HB THR A 67 14.953 -4.569 -8.600 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.588 -4.704 -11.304 1.00 0.00 H new ATOM 0 HG21 THR A 67 17.391 -4.292 -8.347 1.00 0.00 H new ATOM 0 HG22 THR A 67 16.908 -5.946 -7.900 1.00 0.00 H new ATOM 0 HG23 THR A 67 17.674 -5.637 -9.477 1.00 0.00 H new ATOM 1061 N HIS A 68 14.403 -7.263 -7.776 1.00 0.00 N ATOM 1062 CA HIS A 68 14.369 -8.291 -6.750 1.00 0.00 C ATOM 1063 C HIS A 68 13.006 -8.987 -6.765 1.00 0.00 C ATOM 1064 O HIS A 68 12.914 -10.184 -6.504 1.00 0.00 O ATOM 1065 CB HIS A 68 14.720 -7.702 -5.381 1.00 0.00 C ATOM 1066 CG HIS A 68 15.331 -8.698 -4.423 1.00 0.00 C ATOM 1067 ND1 HIS A 68 16.452 -9.446 -4.736 1.00 0.00 N ATOM 1068 CD2 HIS A 68 14.969 -9.055 -3.158 1.00 0.00 C ATOM 1069 CE1 HIS A 68 16.740 -10.220 -3.699 1.00 0.00 C ATOM 1070 NE2 HIS A 68 15.820 -9.976 -2.723 1.00 0.00 N ATOM 0 H HIS A 68 13.896 -6.409 -7.542 1.00 0.00 H new ATOM 0 HA HIS A 68 15.125 -9.047 -6.961 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.415 -6.874 -5.520 1.00 0.00 H new ATOM 0 HB3 HIS A 68 13.817 -7.288 -4.932 1.00 0.00 H new ATOM 0 HD2 HIS A 68 14.132 -8.656 -2.604 1.00 0.00 H new ATOM 0 HE1 HIS A 68 17.560 -10.921 -3.638 1.00 0.00 H new ATOM 0 HE2 HIS A 68 15.790 -10.427 -1.809 1.00 0.00 H new ATOM 1078 N GLU A 69 11.982 -8.204 -7.071 1.00 0.00 N ATOM 1079 CA GLU A 69 10.629 -8.730 -7.124 1.00 0.00 C ATOM 1080 C GLU A 69 10.235 -9.320 -5.768 1.00 0.00 C ATOM 1081 O GLU A 69 11.093 -9.770 -5.011 1.00 0.00 O ATOM 1082 CB GLU A 69 10.487 -9.771 -8.236 1.00 0.00 C ATOM 1083 CG GLU A 69 10.333 -9.099 -9.601 1.00 0.00 C ATOM 1084 CD GLU A 69 9.297 -9.829 -10.458 1.00 0.00 C ATOM 1085 OE1 GLU A 69 8.207 -10.161 -9.968 1.00 0.00 O ATOM 1086 OE2 GLU A 69 9.657 -10.051 -11.677 1.00 0.00 O ATOM 0 H GLU A 69 12.062 -7.210 -7.285 1.00 0.00 H new ATOM 0 HA GLU A 69 9.950 -7.908 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.362 -10.421 -8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.621 -10.403 -8.038 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.032 -8.060 -9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.294 -9.089 -10.116 1.00 0.00 H new ATOM 1094 N THR A 70 8.937 -9.295 -5.502 1.00 0.00 N ATOM 1095 CA THR A 70 8.419 -9.822 -4.250 1.00 0.00 C ATOM 1096 C THR A 70 7.266 -10.792 -4.517 1.00 0.00 C ATOM 1097 O THR A 70 7.260 -11.491 -5.527 1.00 0.00 O ATOM 1098 CB THR A 70 8.025 -8.636 -3.367 1.00 0.00 C ATOM 1099 OG1 THR A 70 6.958 -8.013 -4.077 1.00 0.00 O ATOM 1100 CG2 THR A 70 9.113 -7.561 -3.309 1.00 0.00 C ATOM 0 H THR A 70 8.229 -8.918 -6.132 1.00 0.00 H new ATOM 0 HA THR A 70 9.174 -10.403 -3.721 1.00 0.00 H new ATOM 0 HB THR A 70 7.812 -8.990 -2.359 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.530 -8.669 -4.666 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.782 -6.743 -2.669 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.028 -7.991 -2.903 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.304 -7.182 -4.313 1.00 0.00 H new ATOM 1108 N ARG A 71 6.319 -10.802 -3.591 1.00 0.00 N ATOM 1109 CA ARG A 71 5.164 -11.674 -3.712 1.00 0.00 C ATOM 1110 C ARG A 71 3.900 -10.850 -3.966 1.00 0.00 C ATOM 1111 O ARG A 71 3.353 -10.868 -5.068 1.00 0.00 O ATOM 1112 CB ARG A 71 4.971 -12.512 -2.447 1.00 0.00 C ATOM 1113 CG ARG A 71 6.035 -13.608 -2.346 1.00 0.00 C ATOM 1114 CD ARG A 71 5.791 -14.704 -3.383 1.00 0.00 C ATOM 1115 NE ARG A 71 7.082 -15.271 -3.835 1.00 0.00 N ATOM 1116 CZ ARG A 71 7.811 -16.158 -3.123 1.00 0.00 C ATOM 1117 NH1 ARG A 71 7.380 -16.586 -1.917 1.00 0.00 N ATOM 1118 NH2 ARG A 71 8.950 -16.596 -3.623 1.00 0.00 N ATOM 0 H ARG A 71 6.328 -10.220 -2.753 1.00 0.00 H new ATOM 0 HA ARG A 71 5.342 -12.343 -4.554 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.023 -11.868 -1.569 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.979 -12.963 -2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.024 -13.175 -2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.024 -14.040 -1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.170 -15.490 -2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.246 -14.296 -4.234 1.00 0.00 H new ATOM 0 HE ARG A 71 7.444 -14.973 -4.741 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.499 -16.240 -1.538 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.936 -17.256 -1.385 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.268 -16.265 -4.534 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.513 -17.266 -3.099 1.00 0.00 H new ATOM 1131 N HIS A 72 3.472 -10.147 -2.928 1.00 0.00 N ATOM 1132 CA HIS A 72 2.283 -9.317 -3.026 1.00 0.00 C ATOM 1133 C HIS A 72 2.650 -7.859 -2.742 1.00 0.00 C ATOM 1134 O HIS A 72 2.980 -7.506 -1.610 1.00 0.00 O ATOM 1135 CB HIS A 72 1.179 -9.840 -2.104 1.00 0.00 C ATOM 1136 CG HIS A 72 0.437 -11.034 -2.655 1.00 0.00 C ATOM 1137 ND1 HIS A 72 -0.346 -11.861 -1.865 1.00 0.00 N ATOM 1138 CD2 HIS A 72 0.364 -11.533 -3.921 1.00 0.00 C ATOM 1139 CE1 HIS A 72 -0.859 -12.810 -2.633 1.00 0.00 C ATOM 1140 NE2 HIS A 72 -0.419 -12.605 -3.907 1.00 0.00 N ATOM 0 H HIS A 72 3.927 -10.135 -2.015 1.00 0.00 H new ATOM 0 HA HIS A 72 1.884 -9.364 -4.039 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.618 -10.109 -1.143 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.466 -9.037 -1.915 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.860 -11.125 -4.789 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.511 -13.607 -2.307 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.653 -13.180 -4.716 1.00 0.00 H new ATOM 1148 N PHE A 73 2.581 -7.049 -3.788 1.00 0.00 N ATOM 1149 CA PHE A 73 2.900 -5.638 -3.666 1.00 0.00 C ATOM 1150 C PHE A 73 1.852 -4.774 -4.370 1.00 0.00 C ATOM 1151 O PHE A 73 1.085 -5.271 -5.194 1.00 0.00 O ATOM 1152 CB PHE A 73 4.256 -5.426 -4.344 1.00 0.00 C ATOM 1153 CG PHE A 73 4.530 -6.388 -5.502 1.00 0.00 C ATOM 1154 CD1 PHE A 73 4.674 -7.719 -5.260 1.00 0.00 C ATOM 1155 CD2 PHE A 73 4.628 -5.913 -6.771 1.00 0.00 C ATOM 1156 CE1 PHE A 73 4.929 -8.612 -6.334 1.00 0.00 C ATOM 1157 CE2 PHE A 73 4.882 -6.806 -7.846 1.00 0.00 C ATOM 1158 CZ PHE A 73 5.027 -8.137 -7.605 1.00 0.00 C ATOM 0 H PHE A 73 2.308 -7.344 -4.725 1.00 0.00 H new ATOM 0 HA PHE A 73 2.920 -5.352 -2.614 1.00 0.00 H new ATOM 0 HB2 PHE A 73 4.309 -4.403 -4.715 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.044 -5.536 -3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.594 -8.096 -4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.513 -4.856 -6.962 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.045 -9.668 -6.142 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.960 -6.428 -8.855 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.220 -8.816 -8.422 1.00 0.00 H new ATOM 1168 N ILE A 74 1.851 -3.496 -4.020 1.00 0.00 N ATOM 1169 CA ILE A 74 0.909 -2.560 -4.607 1.00 0.00 C ATOM 1170 C ILE A 74 1.431 -1.133 -4.421 1.00 0.00 C ATOM 1171 O ILE A 74 1.669 -0.697 -3.295 1.00 0.00 O ATOM 1172 CB ILE A 74 -0.493 -2.781 -4.037 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -1.345 -1.517 -4.172 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -0.425 -3.274 -2.590 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -2.802 -1.793 -3.791 1.00 0.00 C ATOM 0 H ILE A 74 2.488 -3.087 -3.337 1.00 0.00 H new ATOM 0 HA ILE A 74 0.822 -2.731 -5.680 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.980 -3.562 -4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.941 -0.732 -3.533 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.297 -1.150 -5.197 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.435 -3.423 -2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.120 -4.217 -2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.089 -2.533 -1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.385 -0.878 -3.896 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.211 -2.561 -4.448 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.849 -2.137 -2.758 1.00 0.00 H new ATOM 1187 N TYR A 75 1.596 -0.446 -5.542 1.00 0.00 N ATOM 1188 CA TYR A 75 2.086 0.921 -5.516 1.00 0.00 C ATOM 1189 C TYR A 75 1.001 1.901 -5.968 1.00 0.00 C ATOM 1190 O TYR A 75 0.494 1.799 -7.084 1.00 0.00 O ATOM 1191 CB TYR A 75 3.249 0.972 -6.509 1.00 0.00 C ATOM 1192 CG TYR A 75 3.655 2.388 -6.920 1.00 0.00 C ATOM 1193 CD1 TYR A 75 4.206 3.246 -5.989 1.00 0.00 C ATOM 1194 CD2 TYR A 75 3.469 2.808 -8.221 1.00 0.00 C ATOM 1195 CE1 TYR A 75 4.589 4.579 -6.377 1.00 0.00 C ATOM 1196 CE2 TYR A 75 3.851 4.143 -8.608 1.00 0.00 C ATOM 1197 CZ TYR A 75 4.392 4.962 -7.667 1.00 0.00 C ATOM 1198 OH TYR A 75 4.753 6.221 -8.032 1.00 0.00 O ATOM 0 H TYR A 75 1.399 -0.811 -6.474 1.00 0.00 H new ATOM 0 HA TYR A 75 2.386 1.202 -4.506 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.111 0.471 -6.069 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.976 0.410 -7.402 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.350 2.918 -4.970 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.037 2.137 -8.949 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.023 5.259 -5.659 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.711 4.485 -9.623 1.00 0.00 H new ATOM 0 HH TYR A 75 5.143 6.685 -7.262 1.00 0.00 H new ATOM 1208 N PHE A 76 0.678 2.827 -5.078 1.00 0.00 N ATOM 1209 CA PHE A 76 -0.339 3.825 -5.373 1.00 0.00 C ATOM 1210 C PHE A 76 -0.064 5.126 -4.616 1.00 0.00 C ATOM 1211 O PHE A 76 0.919 5.227 -3.883 1.00 0.00 O ATOM 1212 CB PHE A 76 -1.678 3.251 -4.906 1.00 0.00 C ATOM 1213 CG PHE A 76 -1.650 2.683 -3.484 1.00 0.00 C ATOM 1214 CD1 PHE A 76 -0.910 1.577 -3.207 1.00 0.00 C ATOM 1215 CD2 PHE A 76 -2.366 3.287 -2.498 1.00 0.00 C ATOM 1216 CE1 PHE A 76 -0.884 1.052 -1.889 1.00 0.00 C ATOM 1217 CE2 PHE A 76 -2.340 2.762 -1.179 1.00 0.00 C ATOM 1218 CZ PHE A 76 -1.600 1.655 -0.903 1.00 0.00 C ATOM 0 H PHE A 76 1.101 2.908 -4.153 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.343 4.049 -6.440 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.435 4.033 -4.959 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.984 2.464 -5.595 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.342 1.098 -3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.954 4.166 -2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.296 0.174 -1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.908 3.242 -0.395 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.581 1.255 0.100 1.00 0.00 H new ATOM 1228 N TYR A 77 -0.949 6.090 -4.821 1.00 0.00 N ATOM 1229 CA TYR A 77 -0.815 7.381 -4.168 1.00 0.00 C ATOM 1230 C TYR A 77 -1.980 7.635 -3.209 1.00 0.00 C ATOM 1231 O TYR A 77 -3.122 7.790 -3.642 1.00 0.00 O ATOM 1232 CB TYR A 77 -0.852 8.424 -5.285 1.00 0.00 C ATOM 1233 CG TYR A 77 -0.042 9.688 -4.985 1.00 0.00 C ATOM 1234 CD1 TYR A 77 1.318 9.599 -4.763 1.00 0.00 C ATOM 1235 CD2 TYR A 77 -0.671 10.915 -4.936 1.00 0.00 C ATOM 1236 CE1 TYR A 77 2.079 10.788 -4.480 1.00 0.00 C ATOM 1237 CE2 TYR A 77 0.092 12.104 -4.652 1.00 0.00 C ATOM 1238 CZ TYR A 77 1.428 11.981 -4.438 1.00 0.00 C ATOM 1239 OH TYR A 77 2.149 13.104 -4.172 1.00 0.00 O ATOM 0 H TYR A 77 -1.762 6.003 -5.430 1.00 0.00 H new ATOM 0 HA TYR A 77 0.106 7.423 -3.587 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.474 7.972 -6.202 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.889 8.705 -5.471 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.810 8.639 -4.802 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.735 10.984 -5.110 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.143 10.734 -4.305 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.387 13.071 -4.610 1.00 0.00 H new ATOM 0 HH TYR A 77 1.935 13.424 -3.271 1.00 0.00 H new ATOM 1249 N LEU A 78 -1.653 7.670 -1.926 1.00 0.00 N ATOM 1250 CA LEU A 78 -2.658 7.903 -0.903 1.00 0.00 C ATOM 1251 C LEU A 78 -2.822 9.408 -0.688 1.00 0.00 C ATOM 1252 O LEU A 78 -1.876 10.090 -0.296 1.00 0.00 O ATOM 1253 CB LEU A 78 -2.312 7.132 0.373 1.00 0.00 C ATOM 1254 CG LEU A 78 -2.607 5.632 0.352 1.00 0.00 C ATOM 1255 CD1 LEU A 78 -2.350 5.004 1.723 1.00 0.00 C ATOM 1256 CD2 LEU A 78 -4.027 5.358 -0.148 1.00 0.00 C ATOM 0 H LEU A 78 -0.705 7.541 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.626 7.521 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.251 7.270 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.860 7.578 1.203 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.922 5.159 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.567 3.937 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.306 5.151 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.993 5.476 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.210 4.283 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.745 5.846 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.139 5.750 -1.159 1.00 0.00 H new ATOM 1268 N GLY A 79 -4.029 9.884 -0.954 1.00 0.00 N ATOM 1269 CA GLY A 79 -4.329 11.297 -0.794 1.00 0.00 C ATOM 1270 C GLY A 79 -3.417 12.154 -1.675 1.00 0.00 C ATOM 1271 O GLY A 79 -3.801 12.543 -2.778 1.00 0.00 O ATOM 0 H GLY A 79 -4.811 9.316 -1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.371 11.483 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.205 11.583 0.251 1.00 0.00 H new ATOM 1275 N GLN A 80 -2.228 12.423 -1.156 1.00 0.00 N ATOM 1276 CA GLN A 80 -1.260 13.226 -1.882 1.00 0.00 C ATOM 1277 C GLN A 80 0.162 12.770 -1.551 1.00 0.00 C ATOM 1278 O GLN A 80 1.078 13.587 -1.471 1.00 0.00 O ATOM 1279 CB GLN A 80 -1.443 14.713 -1.577 1.00 0.00 C ATOM 1280 CG GLN A 80 -1.418 15.545 -2.862 1.00 0.00 C ATOM 1281 CD GLN A 80 -0.185 16.450 -2.906 1.00 0.00 C ATOM 1282 OE1 GLN A 80 0.763 16.215 -3.638 1.00 0.00 O ATOM 1283 NE2 GLN A 80 -0.249 17.494 -2.084 1.00 0.00 N ATOM 0 H GLN A 80 -1.913 12.099 -0.241 1.00 0.00 H new ATOM 0 HA GLN A 80 -1.427 13.084 -2.950 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.389 14.867 -1.058 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.653 15.050 -0.906 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.419 14.883 -3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.321 16.152 -2.924 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.072 17.632 -1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.525 18.157 -2.040 1.00 0.00 H new ATOM 1292 N VAL A 81 0.303 11.466 -1.367 1.00 0.00 N ATOM 1293 CA VAL A 81 1.598 10.890 -1.047 1.00 0.00 C ATOM 1294 C VAL A 81 1.723 9.519 -1.714 1.00 0.00 C ATOM 1295 O VAL A 81 0.717 8.884 -2.026 1.00 0.00 O ATOM 1296 CB VAL A 81 1.787 10.837 0.471 1.00 0.00 C ATOM 1297 CG1 VAL A 81 3.043 10.046 0.840 1.00 0.00 C ATOM 1298 CG2 VAL A 81 1.829 12.245 1.067 1.00 0.00 C ATOM 0 H VAL A 81 -0.459 10.791 -1.433 1.00 0.00 H new ATOM 0 HA VAL A 81 2.400 11.515 -1.439 1.00 0.00 H new ATOM 0 HB VAL A 81 0.929 10.319 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.154 10.024 1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.955 9.027 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.917 10.523 0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.964 12.179 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.659 12.800 0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.894 12.760 0.849 1.00 0.00 H new ATOM 1308 N ALA A 82 2.964 9.101 -1.910 1.00 0.00 N ATOM 1309 CA ALA A 82 3.232 7.815 -2.534 1.00 0.00 C ATOM 1310 C ALA A 82 3.301 6.735 -1.453 1.00 0.00 C ATOM 1311 O ALA A 82 3.683 7.010 -0.318 1.00 0.00 O ATOM 1312 CB ALA A 82 4.522 7.905 -3.353 1.00 0.00 C ATOM 0 H ALA A 82 3.796 9.629 -1.648 1.00 0.00 H new ATOM 0 HA ALA A 82 2.429 7.544 -3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.724 6.942 -3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.411 8.667 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.351 8.171 -2.697 1.00 0.00 H new ATOM 1318 N ILE A 83 2.924 5.527 -1.846 1.00 0.00 N ATOM 1319 CA ILE A 83 2.937 4.402 -0.926 1.00 0.00 C ATOM 1320 C ILE A 83 3.159 3.109 -1.712 1.00 0.00 C ATOM 1321 O ILE A 83 2.375 2.777 -2.601 1.00 0.00 O ATOM 1322 CB ILE A 83 1.670 4.394 -0.072 1.00 0.00 C ATOM 1323 CG1 ILE A 83 1.918 3.707 1.272 1.00 0.00 C ATOM 1324 CG2 ILE A 83 0.501 3.762 -0.831 1.00 0.00 C ATOM 1325 CD1 ILE A 83 0.897 4.159 2.318 1.00 0.00 C ATOM 0 H ILE A 83 2.608 5.303 -2.789 1.00 0.00 H new ATOM 0 HA ILE A 83 3.765 4.494 -0.223 1.00 0.00 H new ATOM 0 HB ILE A 83 1.396 5.427 0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.861 2.626 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.925 3.935 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.388 3.769 -0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.306 4.332 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.751 2.734 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.097 3.655 3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.973 5.237 2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.108 3.907 1.978 1.00 0.00 H new ATOM 1337 N LEU A 84 4.228 2.413 -1.357 1.00 0.00 N ATOM 1338 CA LEU A 84 4.562 1.162 -2.018 1.00 0.00 C ATOM 1339 C LEU A 84 4.658 0.048 -0.973 1.00 0.00 C ATOM 1340 O LEU A 84 5.574 0.039 -0.154 1.00 0.00 O ATOM 1341 CB LEU A 84 5.826 1.323 -2.863 1.00 0.00 C ATOM 1342 CG LEU A 84 6.673 0.062 -3.052 1.00 0.00 C ATOM 1343 CD1 LEU A 84 6.468 -0.531 -4.447 1.00 0.00 C ATOM 1344 CD2 LEU A 84 8.148 0.342 -2.758 1.00 0.00 C ATOM 0 H LEU A 84 4.875 2.691 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 84 3.775 0.878 -2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.537 1.693 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.450 2.090 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 84 6.339 -0.685 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.081 -1.426 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.418 -0.792 -4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.759 0.201 -5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.727 -0.571 -2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.514 1.113 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.255 0.683 -1.728 1.00 0.00 H new ATOM 1356 N LEU A 85 3.698 -0.864 -1.038 1.00 0.00 N ATOM 1357 CA LEU A 85 3.664 -1.980 -0.108 1.00 0.00 C ATOM 1358 C LEU A 85 4.017 -3.269 -0.853 1.00 0.00 C ATOM 1359 O LEU A 85 3.634 -3.448 -2.008 1.00 0.00 O ATOM 1360 CB LEU A 85 2.316 -2.035 0.612 1.00 0.00 C ATOM 1361 CG LEU A 85 2.096 -3.236 1.536 1.00 0.00 C ATOM 1362 CD1 LEU A 85 1.824 -2.782 2.971 1.00 0.00 C ATOM 1363 CD2 LEU A 85 0.986 -4.143 1.001 1.00 0.00 C ATOM 0 H LEU A 85 2.939 -0.853 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 85 4.412 -1.848 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.203 -1.124 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.525 -2.030 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 85 3.013 -3.825 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.671 -3.655 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.676 -2.210 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.931 -2.157 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.850 -4.988 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.056 -3.579 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.260 -4.509 0.012 1.00 0.00 H new ATOM 1375 N PHE A 86 4.741 -4.135 -0.160 1.00 0.00 N ATOM 1376 CA PHE A 86 5.150 -5.403 -0.741 1.00 0.00 C ATOM 1377 C PHE A 86 5.511 -6.415 0.349 1.00 0.00 C ATOM 1378 O PHE A 86 6.049 -6.045 1.391 1.00 0.00 O ATOM 1379 CB PHE A 86 6.390 -5.126 -1.593 1.00 0.00 C ATOM 1380 CG PHE A 86 7.597 -4.631 -0.794 1.00 0.00 C ATOM 1381 CD1 PHE A 86 7.704 -3.313 -0.472 1.00 0.00 C ATOM 1382 CD2 PHE A 86 8.562 -5.506 -0.406 1.00 0.00 C ATOM 1383 CE1 PHE A 86 8.824 -2.854 0.270 1.00 0.00 C ATOM 1384 CE2 PHE A 86 9.682 -5.046 0.337 1.00 0.00 C ATOM 1385 CZ PHE A 86 9.788 -3.730 0.658 1.00 0.00 C ATOM 0 H PHE A 86 5.055 -3.984 0.799 1.00 0.00 H new ATOM 0 HA PHE A 86 4.335 -5.821 -1.332 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.666 -6.039 -2.121 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.139 -4.383 -2.350 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.938 -2.617 -0.781 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.477 -6.552 -0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.910 -1.808 0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 86 10.448 -5.741 0.646 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.640 -3.380 1.222 1.00 0.00 H new ATOM 1395 N LYS A 87 5.200 -7.672 0.072 1.00 0.00 N ATOM 1396 CA LYS A 87 5.484 -8.740 1.015 1.00 0.00 C ATOM 1397 C LYS A 87 6.744 -9.485 0.571 1.00 0.00 C ATOM 1398 O LYS A 87 6.768 -10.088 -0.501 1.00 0.00 O ATOM 1399 CB LYS A 87 4.262 -9.646 1.184 1.00 0.00 C ATOM 1400 CG LYS A 87 4.170 -10.181 2.615 1.00 0.00 C ATOM 1401 CD LYS A 87 5.266 -11.215 2.884 1.00 0.00 C ATOM 1402 CE LYS A 87 4.923 -12.559 2.238 1.00 0.00 C ATOM 1403 NZ LYS A 87 6.140 -13.196 1.688 1.00 0.00 N ATOM 0 H LYS A 87 4.753 -7.975 -0.793 1.00 0.00 H new ATOM 0 HA LYS A 87 5.687 -8.330 2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.356 -9.090 0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.323 -10.479 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.261 -9.357 3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.191 -10.633 2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.217 -10.852 2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.392 -11.346 3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.463 -13.217 2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.192 -12.411 1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.016 -14.229 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.302 -12.855 0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.958 -12.952 2.282 1.00 0.00 H new ATOM 1415 N SER A 88 7.761 -9.418 1.418 1.00 0.00 N ATOM 1416 CA SER A 88 9.023 -10.079 1.125 1.00 0.00 C ATOM 1417 C SER A 88 9.537 -10.800 2.372 1.00 0.00 C ATOM 1418 O SER A 88 9.882 -10.161 3.365 1.00 0.00 O ATOM 1419 CB SER A 88 10.066 -9.077 0.624 1.00 0.00 C ATOM 1420 OG SER A 88 10.819 -8.511 1.693 1.00 0.00 O ATOM 0 H SER A 88 7.738 -8.917 2.306 1.00 0.00 H new ATOM 0 HA SER A 88 8.851 -10.810 0.335 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.742 -9.574 -0.072 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.568 -8.281 0.070 1.00 0.00 H new ATOM 0 HG SER A 88 10.377 -8.709 2.545 1.00 0.00 H new ATOM 1426 N GLY A 89 9.569 -12.121 2.281 1.00 0.00 N ATOM 1427 CA GLY A 89 10.035 -12.937 3.390 1.00 0.00 C ATOM 1428 C GLY A 89 8.903 -13.804 3.946 1.00 0.00 C ATOM 1429 O GLY A 89 8.931 -15.026 3.812 1.00 0.00 O ATOM 0 H GLY A 89 9.280 -12.647 1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.856 -13.573 3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.427 -12.295 4.179 1.00 0.00 H new TER 1433 GLY A 89