USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 825 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 89 ASN : amide:sc= -0.195 K(o=-1,f=-2.4) USER MOD Set 1.2: A 94 GLN : amide:sc= -0.819 K(o=-1,f=-6.1!) USER MOD Set 2.1: A 57 THR OG1 : rot -91:sc= 0.583 USER MOD Set 2.2: A 84 THR OG1 : rot 180:sc= 0.523 USER MOD Set 3.1: A 8 THR OG1 : rot -76:sc= 0.02 USER MOD Set 3.2: A 36 THR OG1 : rot 180:sc= -0.0173 USER MOD Set 4.1: A 17 TYR OH : rot -104:sc= 0.629 USER MOD Set 4.2: A 29 HIS : no HE2:sc= -1.45 K(o=-0.83,f=-1.8!) USER MOD Set 5.1: A 14 THR OG1 : rot -51:sc= -0.139 USER MOD Set 5.2: A 16 HIS : no HD1:sc= -1.41 K(o=-1.7,f=-3.6!) USER MOD Set 5.3: A 99 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 1 MET CE :methyl -150:sc= 0 (180deg=-0.0572) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0354 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.882 K(o=-0.88,f=-4.1!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.444 F(o=-1.3,f=-0.44) USER MOD Single : A 19 TYR OH : rot 165:sc= -0.43 USER MOD Single : A 26 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 32 SER OG : rot 26:sc= 0.0378 USER MOD Single : A 37 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.0042) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= -0.0856 (180deg=-0.371) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.355 X(o=-0.36,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -72:sc= 0.0788 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0699 F(o=-0.73,f=-0.07) USER MOD Single : A 59 THR OG1 : rot -116:sc= 0.11 USER MOD Single : A 65 SER OG : rot 101:sc= 0.143 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 75 LYS NZ :NH3+ 157:sc= -0.743 (180deg=-1.25!) USER MOD Single : A 77 MET CE :methyl 157:sc= -1.01 (180deg=-1.88) USER MOD Single : A 87 SER OG : rot -171:sc= 0.179 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= -0.0399 (180deg=-0.229) USER MOD Single : A 95 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.18) USER MOD Single : A 102 TYR OH : rot 147:sc= 0.377 USER MOD Single : A 103 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.297 -25.517 3.243 1.00 0.00 N ATOM 2 CA MET A 1 22.884 -25.883 2.983 1.00 0.00 C ATOM 3 C MET A 1 22.088 -24.649 2.544 1.00 0.00 C ATOM 4 O MET A 1 22.343 -23.538 3.023 1.00 0.00 O ATOM 5 CB MET A 1 22.236 -26.529 4.236 1.00 0.00 C ATOM 6 CG MET A 1 20.830 -27.100 3.992 1.00 0.00 C ATOM 7 SD MET A 1 20.821 -28.287 2.628 1.00 0.00 S ATOM 8 CE MET A 1 19.077 -28.680 2.502 1.00 0.00 C ATOM 0 H1 MET A 1 24.652 -26.060 4.055 1.00 0.00 H new ATOM 0 H2 MET A 1 24.872 -25.733 2.404 1.00 0.00 H new ATOM 0 H3 MET A 1 24.359 -24.500 3.453 1.00 0.00 H new ATOM 0 HA MET A 1 22.865 -26.618 2.178 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.884 -27.329 4.595 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.181 -25.783 5.029 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.471 -27.585 4.900 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.139 -26.286 3.771 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.959 -29.701 2.139 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.612 -28.588 3.483 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.598 -27.990 1.807 1.00 0.00 H new ATOM 20 N ILE A 2 21.138 -24.858 1.626 1.00 0.00 N ATOM 21 CA ILE A 2 20.196 -23.832 1.168 1.00 0.00 C ATOM 22 C ILE A 2 18.775 -24.286 1.541 1.00 0.00 C ATOM 23 O ILE A 2 18.430 -25.462 1.366 1.00 0.00 O ATOM 24 CB ILE A 2 20.305 -23.625 -0.398 1.00 0.00 C ATOM 25 CG1 ILE A 2 21.744 -23.171 -0.817 1.00 0.00 C ATOM 26 CG2 ILE A 2 19.243 -22.632 -0.920 1.00 0.00 C ATOM 27 CD1 ILE A 2 22.175 -21.806 -0.299 1.00 0.00 C ATOM 0 H ILE A 2 21.000 -25.761 1.173 1.00 0.00 H new ATOM 0 HA ILE A 2 20.430 -22.881 1.646 1.00 0.00 H new ATOM 0 HB ILE A 2 20.109 -24.592 -0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 2 22.458 -23.916 -0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 2 21.801 -23.162 -1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 2 19.351 -22.517 -1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 2 18.247 -23.012 -0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 2 19.381 -21.665 -0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 2 23.185 -21.588 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 2 21.491 -21.043 -0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 2 22.158 -21.808 0.791 1.00 0.00 H new ATOM 39 N GLU A 3 17.962 -23.360 2.064 1.00 0.00 N ATOM 40 CA GLU A 3 16.519 -23.591 2.288 1.00 0.00 C ATOM 41 C GLU A 3 15.713 -22.647 1.380 1.00 0.00 C ATOM 42 O GLU A 3 16.178 -21.542 1.108 1.00 0.00 O ATOM 43 CB GLU A 3 16.125 -23.348 3.772 1.00 0.00 C ATOM 44 CG GLU A 3 16.235 -21.888 4.259 1.00 0.00 C ATOM 45 CD GLU A 3 15.456 -21.618 5.555 1.00 0.00 C ATOM 46 OE1 GLU A 3 14.234 -21.892 5.588 1.00 0.00 O ATOM 47 OE2 GLU A 3 16.039 -21.109 6.531 1.00 0.00 O ATOM 0 H GLU A 3 18.278 -22.432 2.345 1.00 0.00 H new ATOM 0 HA GLU A 3 16.296 -24.631 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 3 15.098 -23.684 3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 3 16.757 -23.972 4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 3 17.285 -21.644 4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 3 15.867 -21.223 3.477 1.00 0.00 H new ATOM 54 N PRO A 4 14.516 -23.058 0.860 1.00 0.00 N ATOM 55 CA PRO A 4 13.585 -22.108 0.226 1.00 0.00 C ATOM 56 C PRO A 4 12.838 -21.302 1.309 1.00 0.00 C ATOM 57 O PRO A 4 12.215 -21.885 2.201 1.00 0.00 O ATOM 58 CB PRO A 4 12.625 -23.028 -0.598 1.00 0.00 C ATOM 59 CG PRO A 4 13.234 -24.409 -0.523 1.00 0.00 C ATOM 60 CD PRO A 4 13.999 -24.447 0.780 1.00 0.00 C ATOM 0 HA PRO A 4 14.072 -21.366 -0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.618 -23.019 -0.181 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.546 -22.689 -1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.463 -25.179 -0.547 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.894 -24.593 -1.371 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.357 -24.695 1.625 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.802 -25.183 0.763 1.00 0.00 H new ATOM 68 N ILE A 5 12.929 -19.976 1.233 1.00 0.00 N ATOM 69 CA ILE A 5 12.204 -19.045 2.135 1.00 0.00 C ATOM 70 C ILE A 5 11.148 -18.266 1.340 1.00 0.00 C ATOM 71 O ILE A 5 10.963 -18.512 0.148 1.00 0.00 O ATOM 72 CB ILE A 5 13.191 -18.028 2.838 1.00 0.00 C ATOM 73 CG1 ILE A 5 13.990 -17.222 1.773 1.00 0.00 C ATOM 74 CG2 ILE A 5 14.129 -18.747 3.820 1.00 0.00 C ATOM 75 CD1 ILE A 5 15.072 -16.305 2.311 1.00 0.00 C ATOM 0 H ILE A 5 13.510 -19.500 0.542 1.00 0.00 H new ATOM 0 HA ILE A 5 11.722 -19.641 2.910 1.00 0.00 H new ATOM 0 HB ILE A 5 12.597 -17.323 3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.450 -17.928 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.286 -16.622 1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.794 -18.020 4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.538 -19.244 4.590 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.721 -19.488 3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.562 -15.795 1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 5 14.625 -15.567 2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.807 -16.893 2.861 1.00 0.00 H new ATOM 87 N LYS A 6 10.473 -17.327 2.017 1.00 0.00 N ATOM 88 CA LYS A 6 9.535 -16.388 1.390 1.00 0.00 C ATOM 89 C LYS A 6 9.502 -15.096 2.208 1.00 0.00 C ATOM 90 O LYS A 6 9.689 -15.127 3.435 1.00 0.00 O ATOM 91 CB LYS A 6 8.094 -16.977 1.258 1.00 0.00 C ATOM 92 CG LYS A 6 7.322 -17.188 2.583 1.00 0.00 C ATOM 93 CD LYS A 6 7.766 -18.432 3.394 1.00 0.00 C ATOM 94 CE LYS A 6 7.372 -19.755 2.713 1.00 0.00 C ATOM 95 NZ LYS A 6 7.588 -20.941 3.603 1.00 0.00 N ATOM 0 H LYS A 6 10.564 -17.197 3.025 1.00 0.00 H new ATOM 0 HA LYS A 6 9.887 -16.190 0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.509 -16.313 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.161 -17.935 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.444 -16.302 3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.259 -17.276 2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.847 -18.406 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.319 -18.392 4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.323 -19.711 2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.954 -19.878 1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.309 -21.808 3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.593 -21.001 3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.013 -20.839 4.463 1.00 0.00 H new ATOM 109 N ARG A 7 9.315 -13.957 1.528 1.00 0.00 N ATOM 110 CA ARG A 7 9.095 -12.664 2.194 1.00 0.00 C ATOM 111 C ARG A 7 7.612 -12.327 2.095 1.00 0.00 C ATOM 112 O ARG A 7 7.009 -12.518 1.033 1.00 0.00 O ATOM 113 CB ARG A 7 9.947 -11.533 1.557 1.00 0.00 C ATOM 114 CG ARG A 7 9.919 -10.191 2.328 1.00 0.00 C ATOM 115 CD ARG A 7 10.558 -10.301 3.721 1.00 0.00 C ATOM 116 NE ARG A 7 10.373 -9.090 4.523 1.00 0.00 N ATOM 117 CZ ARG A 7 10.909 -8.867 5.735 1.00 0.00 C ATOM 118 NH1 ARG A 7 11.700 -9.772 6.324 1.00 0.00 N ATOM 119 NH2 ARG A 7 10.613 -7.749 6.370 1.00 0.00 N ATOM 0 H ARG A 7 9.312 -13.904 0.509 1.00 0.00 H new ATOM 0 HA ARG A 7 9.404 -12.743 3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.980 -11.873 1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.595 -11.360 0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.445 -9.432 1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.887 -9.856 2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.126 -11.151 4.249 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.624 -10.501 3.613 1.00 0.00 H new ATOM 0 HE ARG A 7 9.788 -8.354 4.128 1.00 0.00 H new ATOM 0 HH11 ARG A 7 11.907 -10.652 5.852 1.00 0.00 H new ATOM 0 HH12 ARG A 7 12.096 -9.581 7.244 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.986 -7.069 5.940 1.00 0.00 H new ATOM 0 HH22 ARG A 7 11.011 -7.565 7.291 1.00 0.00 H new ATOM 133 N THR A 8 7.038 -11.815 3.187 1.00 0.00 N ATOM 134 CA THR A 8 5.627 -11.464 3.273 1.00 0.00 C ATOM 135 C THR A 8 5.532 -9.970 3.616 1.00 0.00 C ATOM 136 O THR A 8 5.853 -9.554 4.738 1.00 0.00 O ATOM 137 CB THR A 8 4.898 -12.345 4.343 1.00 0.00 C ATOM 138 OG1 THR A 8 5.023 -13.734 3.982 1.00 0.00 O ATOM 139 CG2 THR A 8 3.406 -11.993 4.469 1.00 0.00 C ATOM 0 H THR A 8 7.553 -11.632 4.048 1.00 0.00 H new ATOM 0 HA THR A 8 5.131 -11.654 2.321 1.00 0.00 H new ATOM 0 HB THR A 8 5.370 -12.150 5.306 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.410 -13.937 3.245 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.944 -12.631 5.223 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.302 -10.949 4.764 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.913 -12.150 3.510 1.00 0.00 H new ATOM 147 N GLN A 9 5.167 -9.171 2.613 1.00 0.00 N ATOM 148 CA GLN A 9 5.018 -7.726 2.736 1.00 0.00 C ATOM 149 C GLN A 9 3.570 -7.339 2.500 1.00 0.00 C ATOM 150 O GLN A 9 3.087 -7.399 1.373 1.00 0.00 O ATOM 151 CB GLN A 9 5.931 -7.011 1.719 1.00 0.00 C ATOM 152 CG GLN A 9 5.900 -5.470 1.729 1.00 0.00 C ATOM 153 CD GLN A 9 6.363 -4.848 3.054 1.00 0.00 C ATOM 154 OE1 GLN A 9 6.025 -5.299 4.153 1.00 0.00 O ATOM 155 NE2 GLN A 9 7.234 -3.879 2.964 1.00 0.00 N ATOM 0 H GLN A 9 4.964 -9.519 1.676 1.00 0.00 H new ATOM 0 HA GLN A 9 5.309 -7.421 3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.957 -7.332 1.897 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.660 -7.351 0.720 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.533 -5.098 0.923 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.885 -5.135 1.517 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.502 -3.518 2.049 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.646 -3.483 3.809 1.00 0.00 H new ATOM 164 N VAL A 10 2.875 -6.964 3.562 1.00 0.00 N ATOM 165 CA VAL A 10 1.520 -6.468 3.450 1.00 0.00 C ATOM 166 C VAL A 10 1.601 -4.945 3.279 1.00 0.00 C ATOM 167 O VAL A 10 2.188 -4.253 4.114 1.00 0.00 O ATOM 168 CB VAL A 10 0.630 -6.914 4.675 1.00 0.00 C ATOM 169 CG1 VAL A 10 0.697 -8.449 4.845 1.00 0.00 C ATOM 170 CG2 VAL A 10 0.998 -6.209 6.000 1.00 0.00 C ATOM 0 H VAL A 10 3.234 -6.996 4.516 1.00 0.00 H new ATOM 0 HA VAL A 10 1.022 -6.898 2.581 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.390 -6.607 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.080 -8.748 5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.329 -8.932 3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.729 -8.751 5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.344 -6.566 6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.034 -6.431 6.255 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.875 -5.132 5.885 1.00 0.00 H new ATOM 180 N VAL A 11 1.100 -4.422 2.151 1.00 0.00 N ATOM 181 CA VAL A 11 1.055 -2.974 1.926 1.00 0.00 C ATOM 182 C VAL A 11 -0.289 -2.499 2.445 1.00 0.00 C ATOM 183 O VAL A 11 -1.331 -2.972 2.003 1.00 0.00 O ATOM 184 CB VAL A 11 1.270 -2.590 0.420 1.00 0.00 C ATOM 185 CG1 VAL A 11 1.144 -1.064 0.193 1.00 0.00 C ATOM 186 CG2 VAL A 11 2.641 -3.100 -0.063 1.00 0.00 C ATOM 0 H VAL A 11 0.722 -4.979 1.384 1.00 0.00 H new ATOM 0 HA VAL A 11 1.873 -2.485 2.455 1.00 0.00 H new ATOM 0 HB VAL A 11 0.485 -3.069 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.299 -0.839 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.150 -0.733 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.894 -0.544 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.782 -2.829 -1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.430 -2.648 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.683 -4.184 0.040 1.00 0.00 H new ATOM 196 N THR A 12 -0.250 -1.622 3.440 1.00 0.00 N ATOM 197 CA THR A 12 -1.423 -1.224 4.200 1.00 0.00 C ATOM 198 C THR A 12 -1.850 0.204 3.820 1.00 0.00 C ATOM 199 O THR A 12 -1.199 1.178 4.210 1.00 0.00 O ATOM 200 CB THR A 12 -1.105 -1.345 5.722 1.00 0.00 C ATOM 201 OG1 THR A 12 -0.688 -2.695 6.021 1.00 0.00 O ATOM 202 CG2 THR A 12 -2.293 -0.975 6.614 1.00 0.00 C ATOM 0 H THR A 12 0.609 -1.163 3.744 1.00 0.00 H new ATOM 0 HA THR A 12 -2.260 -1.882 3.965 1.00 0.00 H new ATOM 0 HB THR A 12 -0.307 -0.634 5.937 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.486 -2.771 6.977 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.008 -1.079 7.661 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.587 0.056 6.419 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.131 -1.638 6.398 1.00 0.00 H new ATOM 210 N GLN A 13 -2.919 0.297 3.010 1.00 0.00 N ATOM 211 CA GLN A 13 -3.609 1.554 2.710 1.00 0.00 C ATOM 212 C GLN A 13 -4.542 1.885 3.879 1.00 0.00 C ATOM 213 O GLN A 13 -5.667 1.377 3.941 1.00 0.00 O ATOM 214 CB GLN A 13 -4.436 1.426 1.389 1.00 0.00 C ATOM 215 CG GLN A 13 -3.632 1.437 0.064 1.00 0.00 C ATOM 216 CD GLN A 13 -3.423 2.828 -0.558 1.00 0.00 C ATOM 217 OE1 GLN A 13 -3.263 3.852 0.259 1.00 0.00 O flip ATOM 218 NE2 GLN A 13 -3.361 2.967 -1.780 1.00 0.00 N flip ATOM 0 H GLN A 13 -3.329 -0.511 2.542 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.876 2.349 2.575 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.008 0.499 1.433 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.156 2.243 1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.656 0.986 0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.146 0.805 -0.660 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.488 2.161 -2.392 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.183 3.888 -2.180 1.00 0.00 H new ATOM 227 N THR A 14 -4.053 2.690 4.821 1.00 0.00 N ATOM 228 CA THR A 14 -4.894 3.286 5.855 1.00 0.00 C ATOM 229 C THR A 14 -5.459 4.580 5.265 1.00 0.00 C ATOM 230 O THR A 14 -4.698 5.489 4.911 1.00 0.00 O ATOM 231 CB THR A 14 -4.099 3.558 7.181 1.00 0.00 C ATOM 232 OG1 THR A 14 -3.014 4.464 6.955 1.00 0.00 O ATOM 233 CG2 THR A 14 -3.548 2.262 7.803 1.00 0.00 C ATOM 0 H THR A 14 -3.068 2.946 4.888 1.00 0.00 H new ATOM 0 HA THR A 14 -5.694 2.601 6.134 1.00 0.00 H new ATOM 0 HB THR A 14 -4.809 4.003 7.878 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.480 4.151 6.195 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.006 2.500 8.718 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.374 1.590 8.035 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.874 1.778 7.097 1.00 0.00 H new ATOM 241 N ILE A 15 -6.783 4.638 5.069 1.00 0.00 N ATOM 242 CA ILE A 15 -7.426 5.789 4.421 1.00 0.00 C ATOM 243 C ILE A 15 -8.268 6.587 5.418 1.00 0.00 C ATOM 244 O ILE A 15 -9.135 6.048 6.125 1.00 0.00 O ATOM 245 CB ILE A 15 -8.233 5.379 3.136 1.00 0.00 C ATOM 246 CG1 ILE A 15 -7.232 4.837 2.067 1.00 0.00 C ATOM 247 CG2 ILE A 15 -9.043 6.574 2.574 1.00 0.00 C ATOM 248 CD1 ILE A 15 -7.828 4.445 0.736 1.00 0.00 C ATOM 0 H ILE A 15 -7.430 3.901 5.350 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.633 6.451 4.072 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.950 4.601 3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.472 5.599 1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.722 3.968 2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.590 6.257 1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.748 6.923 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.362 7.384 2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.039 4.084 0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.565 3.656 0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.311 5.312 0.284 1.00 0.00 H new ATOM 260 N HIS A 16 -7.958 7.884 5.452 1.00 0.00 N ATOM 261 CA HIS A 16 -8.489 8.848 6.389 1.00 0.00 C ATOM 262 C HIS A 16 -9.517 9.679 5.633 1.00 0.00 C ATOM 263 O HIS A 16 -9.155 10.408 4.699 1.00 0.00 O ATOM 264 CB HIS A 16 -7.321 9.742 6.905 1.00 0.00 C ATOM 265 CG HIS A 16 -6.072 8.979 7.331 1.00 0.00 C ATOM 266 ND1 HIS A 16 -5.475 8.002 6.550 1.00 0.00 N ATOM 267 CD2 HIS A 16 -5.337 9.011 8.470 1.00 0.00 C ATOM 268 CE1 HIS A 16 -4.467 7.486 7.199 1.00 0.00 C ATOM 269 NE2 HIS A 16 -4.359 8.073 8.354 1.00 0.00 N ATOM 0 H HIS A 16 -7.299 8.300 4.793 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.956 8.370 7.250 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.048 10.448 6.120 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.678 10.329 7.752 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.499 9.663 9.316 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.825 6.697 6.835 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -3.654 7.864 9.060 1.00 0.00 H new ATOM 278 N TYR A 17 -10.796 9.514 5.955 1.00 0.00 N ATOM 279 CA TYR A 17 -11.834 10.363 5.389 1.00 0.00 C ATOM 280 C TYR A 17 -11.868 11.657 6.202 1.00 0.00 C ATOM 281 O TYR A 17 -12.208 11.637 7.386 1.00 0.00 O ATOM 282 CB TYR A 17 -13.198 9.637 5.380 1.00 0.00 C ATOM 283 CG TYR A 17 -13.213 8.334 4.557 1.00 0.00 C ATOM 284 CD1 TYR A 17 -12.553 8.259 3.328 1.00 0.00 C ATOM 285 CD2 TYR A 17 -13.880 7.191 4.994 1.00 0.00 C ATOM 286 CE1 TYR A 17 -12.562 7.112 2.569 1.00 0.00 C ATOM 287 CE2 TYR A 17 -13.894 6.038 4.231 1.00 0.00 C ATOM 288 CZ TYR A 17 -13.231 6.004 3.018 1.00 0.00 C ATOM 289 OH TYR A 17 -13.252 4.858 2.251 1.00 0.00 O ATOM 0 H TYR A 17 -11.136 8.803 6.602 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.616 10.598 4.347 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.482 9.408 6.407 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.955 10.314 4.983 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.021 9.126 2.964 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -14.394 7.206 5.944 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.043 7.085 1.622 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -14.423 5.164 4.582 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.127 4.769 1.819 1.00 0.00 H new ATOM 299 N ARG A 18 -11.425 12.761 5.586 1.00 0.00 N ATOM 300 CA ARG A 18 -11.423 14.095 6.215 1.00 0.00 C ATOM 301 C ARG A 18 -11.806 15.152 5.185 1.00 0.00 C ATOM 302 O ARG A 18 -11.771 14.891 3.989 1.00 0.00 O ATOM 303 CB ARG A 18 -10.042 14.455 6.846 1.00 0.00 C ATOM 304 CG ARG A 18 -9.602 13.557 8.020 1.00 0.00 C ATOM 305 CD ARG A 18 -8.510 14.207 8.885 1.00 0.00 C ATOM 306 NE ARG A 18 -7.289 14.544 8.124 1.00 0.00 N ATOM 307 CZ ARG A 18 -6.522 15.642 8.319 1.00 0.00 C ATOM 308 NH1 ARG A 18 -6.836 16.542 9.261 1.00 0.00 N ATOM 309 NH2 ARG A 18 -5.430 15.822 7.578 1.00 0.00 N ATOM 0 H ARG A 18 -11.056 12.758 4.635 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.155 14.072 7.022 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.281 14.406 6.067 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.077 15.488 7.193 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.467 13.331 8.643 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.234 12.609 7.629 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.908 15.114 9.341 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.248 13.530 9.698 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.000 13.896 7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.663 16.404 9.843 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.248 17.365 9.396 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.176 15.135 6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.848 16.647 7.720 1.00 0.00 H new ATOM 323 N TYR A 19 -12.163 16.347 5.666 1.00 0.00 N ATOM 324 CA TYR A 19 -12.515 17.491 4.812 1.00 0.00 C ATOM 325 C TYR A 19 -11.276 18.351 4.537 1.00 0.00 C ATOM 326 O TYR A 19 -10.199 18.100 5.093 1.00 0.00 O ATOM 327 CB TYR A 19 -13.611 18.341 5.501 1.00 0.00 C ATOM 328 CG TYR A 19 -14.925 17.592 5.751 1.00 0.00 C ATOM 329 CD1 TYR A 19 -15.114 16.838 6.907 1.00 0.00 C ATOM 330 CD2 TYR A 19 -15.979 17.640 4.836 1.00 0.00 C ATOM 331 CE1 TYR A 19 -16.293 16.161 7.144 1.00 0.00 C ATOM 332 CE2 TYR A 19 -17.162 16.966 5.069 1.00 0.00 C ATOM 333 CZ TYR A 19 -17.314 16.228 6.222 1.00 0.00 C ATOM 334 OH TYR A 19 -18.497 15.559 6.456 1.00 0.00 O ATOM 0 H TYR A 19 -12.217 16.551 6.664 1.00 0.00 H new ATOM 0 HA TYR A 19 -12.897 17.118 3.861 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -13.227 18.705 6.454 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.817 19.216 4.885 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.319 16.782 7.635 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.867 18.215 3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.414 15.582 8.047 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.965 17.018 4.349 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.188 15.893 5.847 1.00 0.00 H new ATOM 344 N GLU A 20 -11.446 19.386 3.696 1.00 0.00 N ATOM 345 CA GLU A 20 -10.399 20.414 3.475 1.00 0.00 C ATOM 346 C GLU A 20 -10.142 21.207 4.773 1.00 0.00 C ATOM 347 O GLU A 20 -9.049 21.734 4.988 1.00 0.00 O ATOM 348 CB GLU A 20 -10.811 21.372 2.325 1.00 0.00 C ATOM 349 CG GLU A 20 -12.082 22.195 2.611 1.00 0.00 C ATOM 350 CD GLU A 20 -12.341 23.312 1.589 1.00 0.00 C ATOM 351 OE1 GLU A 20 -11.529 24.256 1.512 1.00 0.00 O ATOM 352 OE2 GLU A 20 -13.361 23.262 0.867 1.00 0.00 O ATOM 0 H GLU A 20 -12.297 19.538 3.155 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.476 19.911 3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.986 22.056 2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.967 20.787 1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.941 21.525 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.002 22.636 3.605 1.00 0.00 H new ATOM 359 N ASP A 21 -11.178 21.243 5.626 1.00 0.00 N ATOM 360 CA ASP A 21 -11.176 21.912 6.936 1.00 0.00 C ATOM 361 C ASP A 21 -10.258 21.189 7.941 1.00 0.00 C ATOM 362 O ASP A 21 -9.900 21.760 8.977 1.00 0.00 O ATOM 363 CB ASP A 21 -12.633 21.934 7.480 1.00 0.00 C ATOM 364 CG ASP A 21 -13.634 22.582 6.504 1.00 0.00 C ATOM 365 OD1 ASP A 21 -14.039 21.908 5.529 1.00 0.00 O ATOM 366 OD2 ASP A 21 -14.007 23.762 6.694 1.00 0.00 O ATOM 0 H ASP A 21 -12.069 20.793 5.416 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.794 22.925 6.812 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.951 20.913 7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.653 22.477 8.425 1.00 0.00 H new ATOM 371 N GLY A 22 -9.899 19.921 7.630 1.00 0.00 N ATOM 372 CA GLY A 22 -9.143 19.059 8.547 1.00 0.00 C ATOM 373 C GLY A 22 -10.057 18.208 9.420 1.00 0.00 C ATOM 374 O GLY A 22 -9.598 17.258 10.064 1.00 0.00 O ATOM 0 H GLY A 22 -10.127 19.476 6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.484 18.409 7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.507 19.676 9.182 1.00 0.00 H new ATOM 378 N ALA A 23 -11.360 18.565 9.432 1.00 0.00 N ATOM 379 CA ALA A 23 -12.409 17.851 10.173 1.00 0.00 C ATOM 380 C ALA A 23 -12.503 16.386 9.722 1.00 0.00 C ATOM 381 O ALA A 23 -12.455 16.109 8.529 1.00 0.00 O ATOM 382 CB ALA A 23 -13.761 18.561 9.972 1.00 0.00 C ATOM 0 H ALA A 23 -11.712 19.372 8.917 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.152 17.859 11.232 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -14.537 18.029 10.523 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.692 19.585 10.339 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -14.012 18.572 8.911 1.00 0.00 H new ATOM 388 N VAL A 24 -12.644 15.462 10.678 1.00 0.00 N ATOM 389 CA VAL A 24 -12.647 14.016 10.400 1.00 0.00 C ATOM 390 C VAL A 24 -14.046 13.570 9.963 1.00 0.00 C ATOM 391 O VAL A 24 -14.992 13.657 10.748 1.00 0.00 O ATOM 392 CB VAL A 24 -12.198 13.188 11.662 1.00 0.00 C ATOM 393 CG1 VAL A 24 -12.072 11.680 11.336 1.00 0.00 C ATOM 394 CG2 VAL A 24 -10.887 13.749 12.253 1.00 0.00 C ATOM 0 H VAL A 24 -12.759 15.691 11.665 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.934 13.828 9.597 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.975 13.290 12.419 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.760 11.139 12.230 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -13.036 11.299 10.999 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.331 11.538 10.549 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.599 13.160 13.123 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.098 13.698 11.502 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.037 14.787 12.551 1.00 0.00 H new ATOM 404 N ALA A 25 -14.180 13.117 8.710 1.00 0.00 N ATOM 405 CA ALA A 25 -15.413 12.481 8.232 1.00 0.00 C ATOM 406 C ALA A 25 -15.524 11.066 8.844 1.00 0.00 C ATOM 407 O ALA A 25 -16.490 10.767 9.553 1.00 0.00 O ATOM 408 CB ALA A 25 -15.446 12.455 6.697 1.00 0.00 C ATOM 0 H ALA A 25 -13.445 13.180 8.006 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.279 13.059 8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.368 11.980 6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.403 13.475 6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.590 11.892 6.324 1.00 0.00 H new ATOM 414 N HIS A 26 -14.487 10.225 8.616 1.00 0.00 N ATOM 415 CA HIS A 26 -14.414 8.851 9.168 1.00 0.00 C ATOM 416 C HIS A 26 -13.006 8.246 8.913 1.00 0.00 C ATOM 417 O HIS A 26 -12.727 7.714 7.834 1.00 0.00 O ATOM 418 CB HIS A 26 -15.542 7.959 8.549 1.00 0.00 C ATOM 419 CG HIS A 26 -15.842 6.679 9.294 1.00 0.00 C ATOM 420 ND1 HIS A 26 -16.355 5.558 8.680 1.00 0.00 N ATOM 421 CD2 HIS A 26 -15.773 6.374 10.611 1.00 0.00 C ATOM 422 CE1 HIS A 26 -16.581 4.624 9.581 1.00 0.00 C ATOM 423 NE2 HIS A 26 -16.239 5.093 10.761 1.00 0.00 N ATOM 0 H HIS A 26 -13.680 10.479 8.046 1.00 0.00 H new ATOM 0 HA HIS A 26 -14.572 8.888 10.246 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -16.457 8.549 8.492 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -15.261 7.706 7.526 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.416 7.021 11.399 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -16.980 3.640 9.384 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -16.309 4.587 11.644 1.00 0.00 H new ATOM 432 N ASP A 27 -12.099 8.367 9.898 1.00 0.00 N ATOM 433 CA ASP A 27 -10.723 7.828 9.791 1.00 0.00 C ATOM 434 C ASP A 27 -10.656 6.419 10.405 1.00 0.00 C ATOM 435 O ASP A 27 -10.683 6.279 11.633 1.00 0.00 O ATOM 436 CB ASP A 27 -9.704 8.782 10.479 1.00 0.00 C ATOM 437 CG ASP A 27 -8.291 8.174 10.661 1.00 0.00 C ATOM 438 OD1 ASP A 27 -7.771 7.535 9.718 1.00 0.00 O ATOM 439 OD2 ASP A 27 -7.710 8.319 11.761 1.00 0.00 O ATOM 0 H ASP A 27 -12.291 8.835 10.784 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.457 7.758 8.736 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.622 9.695 9.889 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.093 9.068 11.456 1.00 0.00 H new ATOM 444 N ASP A 28 -10.554 5.392 9.533 1.00 0.00 N ATOM 445 CA ASP A 28 -10.521 3.963 9.947 1.00 0.00 C ATOM 446 C ASP A 28 -10.392 3.004 8.738 1.00 0.00 C ATOM 447 O ASP A 28 -10.238 1.788 8.932 1.00 0.00 O ATOM 448 CB ASP A 28 -11.813 3.581 10.741 1.00 0.00 C ATOM 449 CG ASP A 28 -13.088 3.594 9.873 1.00 0.00 C ATOM 450 OD1 ASP A 28 -13.357 4.621 9.217 1.00 0.00 O ATOM 451 OD2 ASP A 28 -13.806 2.570 9.817 1.00 0.00 O ATOM 0 H ASP A 28 -10.492 5.525 8.524 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.641 3.852 10.581 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.686 2.588 11.173 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.940 4.276 11.571 1.00 0.00 H new ATOM 456 N HIS A 29 -10.470 3.531 7.495 1.00 0.00 N ATOM 457 CA HIS A 29 -10.715 2.695 6.305 1.00 0.00 C ATOM 458 C HIS A 29 -9.412 2.051 5.789 1.00 0.00 C ATOM 459 O HIS A 29 -8.750 2.577 4.893 1.00 0.00 O ATOM 460 CB HIS A 29 -11.407 3.525 5.197 1.00 0.00 C ATOM 461 CG HIS A 29 -12.144 2.680 4.186 1.00 0.00 C ATOM 462 ND1 HIS A 29 -13.516 2.567 4.163 1.00 0.00 N ATOM 463 CD2 HIS A 29 -11.697 1.889 3.186 1.00 0.00 C ATOM 464 CE1 HIS A 29 -13.874 1.755 3.200 1.00 0.00 C ATOM 465 NE2 HIS A 29 -12.793 1.324 2.589 1.00 0.00 N ATOM 0 H HIS A 29 -10.367 4.526 7.294 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.383 1.883 6.593 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.108 4.220 5.659 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.657 4.125 4.681 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -14.156 3.043 4.799 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.665 1.731 2.908 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.889 1.484 2.949 1.00 0.00 H new ATOM 474 N VAL A 30 -9.071 0.896 6.359 1.00 0.00 N ATOM 475 CA VAL A 30 -7.815 0.192 6.081 1.00 0.00 C ATOM 476 C VAL A 30 -8.065 -1.034 5.180 1.00 0.00 C ATOM 477 O VAL A 30 -8.912 -1.873 5.496 1.00 0.00 O ATOM 478 CB VAL A 30 -7.139 -0.268 7.425 1.00 0.00 C ATOM 479 CG1 VAL A 30 -5.802 -0.985 7.164 1.00 0.00 C ATOM 480 CG2 VAL A 30 -6.958 0.920 8.399 1.00 0.00 C ATOM 0 H VAL A 30 -9.665 0.415 7.035 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.148 0.880 5.561 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.809 -0.985 7.900 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.361 -1.290 8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.976 -1.865 6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.121 -0.308 6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.488 0.569 9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.326 1.678 7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.932 1.352 8.631 1.00 0.00 H new ATOM 490 N VAL A 31 -7.345 -1.099 4.049 1.00 0.00 N ATOM 491 CA VAL A 31 -7.184 -2.326 3.247 1.00 0.00 C ATOM 492 C VAL A 31 -5.681 -2.666 3.175 1.00 0.00 C ATOM 493 O VAL A 31 -4.831 -1.765 3.160 1.00 0.00 O ATOM 494 CB VAL A 31 -7.795 -2.186 1.802 1.00 0.00 C ATOM 495 CG1 VAL A 31 -7.146 -1.037 1.004 1.00 0.00 C ATOM 496 CG2 VAL A 31 -7.725 -3.527 1.022 1.00 0.00 C ATOM 0 H VAL A 31 -6.853 -0.295 3.660 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.734 -3.133 3.731 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.847 -1.931 1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.600 -0.980 0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.302 -0.095 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.077 -1.223 0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.155 -3.393 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.685 -3.839 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.286 -4.291 1.561 1.00 0.00 H new ATOM 506 N SER A 32 -5.365 -3.962 3.159 1.00 0.00 N ATOM 507 CA SER A 32 -3.989 -4.461 3.134 1.00 0.00 C ATOM 508 C SER A 32 -3.887 -5.647 2.169 1.00 0.00 C ATOM 509 O SER A 32 -4.725 -6.560 2.217 1.00 0.00 O ATOM 510 CB SER A 32 -3.558 -4.868 4.564 1.00 0.00 C ATOM 511 OG SER A 32 -4.463 -5.809 5.151 1.00 0.00 O ATOM 0 H SER A 32 -6.066 -4.703 3.163 1.00 0.00 H new ATOM 0 HA SER A 32 -3.318 -3.677 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.557 -5.299 4.532 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.502 -3.979 5.192 1.00 0.00 H new ATOM 0 HG SER A 32 -4.918 -6.311 4.443 1.00 0.00 H new ATOM 517 N LEU A 33 -2.882 -5.623 1.279 1.00 0.00 N ATOM 518 CA LEU A 33 -2.631 -6.714 0.316 1.00 0.00 C ATOM 519 C LEU A 33 -1.344 -7.441 0.685 1.00 0.00 C ATOM 520 O LEU A 33 -0.332 -6.802 0.960 1.00 0.00 O ATOM 521 CB LEU A 33 -2.530 -6.158 -1.117 1.00 0.00 C ATOM 522 CG LEU A 33 -3.845 -5.607 -1.733 1.00 0.00 C ATOM 523 CD1 LEU A 33 -3.557 -4.996 -3.104 1.00 0.00 C ATOM 524 CD2 LEU A 33 -4.941 -6.691 -1.830 1.00 0.00 C ATOM 0 H LEU A 33 -2.221 -4.850 1.205 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.465 -7.415 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.788 -5.360 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.153 -6.949 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.229 -4.833 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.482 -4.611 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.840 -4.182 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.142 -5.759 -3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.842 -6.260 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.589 -7.509 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.167 -7.070 -0.833 1.00 0.00 H new ATOM 536 N ILE A 34 -1.384 -8.774 0.634 1.00 0.00 N ATOM 537 CA ILE A 34 -0.297 -9.626 1.094 1.00 0.00 C ATOM 538 C ILE A 34 0.590 -9.996 -0.112 1.00 0.00 C ATOM 539 O ILE A 34 0.125 -10.660 -1.050 1.00 0.00 O ATOM 540 CB ILE A 34 -0.837 -10.942 1.795 1.00 0.00 C ATOM 541 CG1 ILE A 34 -1.813 -10.633 3.001 1.00 0.00 C ATOM 542 CG2 ILE A 34 0.341 -11.828 2.266 1.00 0.00 C ATOM 543 CD1 ILE A 34 -3.231 -10.194 2.621 1.00 0.00 C ATOM 0 H ILE A 34 -2.182 -9.293 0.268 1.00 0.00 H new ATOM 0 HA ILE A 34 0.283 -9.078 1.837 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.417 -11.483 1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.884 -11.525 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.364 -9.852 3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.048 -12.727 2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.951 -12.109 1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.952 -11.273 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.810 -10.010 3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.183 -9.280 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.711 -10.979 2.037 1.00 0.00 H new ATOM 555 N PHE A 35 1.848 -9.531 -0.106 1.00 0.00 N ATOM 556 CA PHE A 35 2.847 -9.889 -1.121 1.00 0.00 C ATOM 557 C PHE A 35 3.777 -10.968 -0.533 1.00 0.00 C ATOM 558 O PHE A 35 4.737 -10.654 0.173 1.00 0.00 O ATOM 559 CB PHE A 35 3.676 -8.632 -1.549 1.00 0.00 C ATOM 560 CG PHE A 35 2.885 -7.482 -2.199 1.00 0.00 C ATOM 561 CD1 PHE A 35 1.953 -6.735 -1.471 1.00 0.00 C ATOM 562 CD2 PHE A 35 3.105 -7.126 -3.529 1.00 0.00 C ATOM 563 CE1 PHE A 35 1.275 -5.673 -2.049 1.00 0.00 C ATOM 564 CE2 PHE A 35 2.425 -6.070 -4.105 1.00 0.00 C ATOM 565 CZ PHE A 35 1.512 -5.342 -3.368 1.00 0.00 C ATOM 0 H PHE A 35 2.202 -8.893 0.607 1.00 0.00 H new ATOM 0 HA PHE A 35 2.344 -10.274 -2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.185 -8.242 -0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.449 -8.953 -2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.758 -6.990 -0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.818 -7.684 -4.118 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.563 -5.106 -1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.609 -5.813 -5.138 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.985 -4.516 -3.822 1.00 0.00 H new ATOM 575 N THR A 36 3.486 -12.236 -0.828 1.00 0.00 N ATOM 576 CA THR A 36 4.288 -13.381 -0.374 1.00 0.00 C ATOM 577 C THR A 36 4.940 -14.045 -1.592 1.00 0.00 C ATOM 578 O THR A 36 4.265 -14.717 -2.385 1.00 0.00 O ATOM 579 CB THR A 36 3.420 -14.417 0.424 1.00 0.00 C ATOM 580 OG1 THR A 36 2.817 -13.780 1.564 1.00 0.00 O ATOM 581 CG2 THR A 36 4.235 -15.631 0.903 1.00 0.00 C ATOM 0 H THR A 36 2.680 -12.503 -1.394 1.00 0.00 H new ATOM 0 HA THR A 36 5.059 -13.021 0.307 1.00 0.00 H new ATOM 0 HB THR A 36 2.655 -14.779 -0.263 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.276 -14.433 2.055 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.584 -16.314 1.449 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.661 -16.146 0.042 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.038 -15.294 1.558 1.00 0.00 H new ATOM 589 N GLN A 37 6.244 -13.803 -1.763 1.00 0.00 N ATOM 590 CA GLN A 37 7.024 -14.346 -2.887 1.00 0.00 C ATOM 591 C GLN A 37 8.309 -14.982 -2.342 1.00 0.00 C ATOM 592 O GLN A 37 8.952 -14.426 -1.439 1.00 0.00 O ATOM 593 CB GLN A 37 7.310 -13.213 -3.915 1.00 0.00 C ATOM 594 CG GLN A 37 7.541 -13.666 -5.382 1.00 0.00 C ATOM 595 CD GLN A 37 8.852 -14.418 -5.650 1.00 0.00 C ATOM 596 OE1 GLN A 37 8.901 -15.296 -6.501 1.00 0.00 O ATOM 597 NE2 GLN A 37 9.928 -14.054 -4.961 1.00 0.00 N ATOM 0 H GLN A 37 6.792 -13.224 -1.126 1.00 0.00 H new ATOM 0 HA GLN A 37 6.465 -15.122 -3.409 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.473 -12.515 -3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.190 -12.662 -3.583 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.710 -14.305 -5.680 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.512 -12.785 -6.023 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.858 -13.319 -4.257 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.824 -14.510 -5.136 1.00 0.00 H new ATOM 606 N SER A 38 8.680 -16.134 -2.912 1.00 0.00 N ATOM 607 CA SER A 38 9.714 -17.008 -2.359 1.00 0.00 C ATOM 608 C SER A 38 11.130 -16.696 -2.896 1.00 0.00 C ATOM 609 O SER A 38 11.317 -16.368 -4.074 1.00 0.00 O ATOM 610 CB SER A 38 9.338 -18.475 -2.642 1.00 0.00 C ATOM 611 OG SER A 38 9.145 -18.715 -4.025 1.00 0.00 O ATOM 0 H SER A 38 8.267 -16.486 -3.776 1.00 0.00 H new ATOM 0 HA SER A 38 9.756 -16.827 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.124 -19.130 -2.266 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.427 -18.727 -2.099 1.00 0.00 H new ATOM 0 HG SER A 38 8.910 -19.656 -4.164 1.00 0.00 H new ATOM 617 N GLY A 39 12.120 -16.795 -1.995 1.00 0.00 N ATOM 618 CA GLY A 39 13.539 -16.797 -2.356 1.00 0.00 C ATOM 619 C GLY A 39 14.232 -17.996 -1.731 1.00 0.00 C ATOM 620 O GLY A 39 13.623 -19.074 -1.637 1.00 0.00 O ATOM 0 H GLY A 39 11.954 -16.876 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.647 -16.828 -3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.011 -15.875 -2.015 1.00 0.00 H new ATOM 624 N LYS A 40 15.486 -17.823 -1.271 1.00 0.00 N ATOM 625 CA LYS A 40 16.234 -18.908 -0.605 1.00 0.00 C ATOM 626 C LYS A 40 17.284 -18.346 0.361 1.00 0.00 C ATOM 627 O LYS A 40 17.936 -17.345 0.057 1.00 0.00 O ATOM 628 CB LYS A 40 16.852 -19.870 -1.659 1.00 0.00 C ATOM 629 CG LYS A 40 17.759 -19.221 -2.736 1.00 0.00 C ATOM 630 CD LYS A 40 19.249 -19.137 -2.349 1.00 0.00 C ATOM 631 CE LYS A 40 20.094 -18.535 -3.482 1.00 0.00 C ATOM 632 NZ LYS A 40 19.891 -19.224 -4.790 1.00 0.00 N ATOM 0 H LYS A 40 16.001 -16.946 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 40 15.538 -19.491 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.434 -20.626 -1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.039 -20.390 -2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.668 -19.791 -3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.393 -18.215 -2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 40 19.359 -18.530 -1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 40 19.620 -20.133 -2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.846 -17.479 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 40 21.148 -18.588 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.653 -18.956 -5.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.904 -20.254 -4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.974 -18.943 -5.192 1.00 0.00 H new ATOM 646 N ARG A 41 17.426 -18.982 1.539 1.00 0.00 N ATOM 647 CA ARG A 41 18.383 -18.555 2.573 1.00 0.00 C ATOM 648 C ARG A 41 19.604 -19.489 2.584 1.00 0.00 C ATOM 649 O ARG A 41 19.460 -20.714 2.659 1.00 0.00 O ATOM 650 CB ARG A 41 17.718 -18.538 3.981 1.00 0.00 C ATOM 651 CG ARG A 41 18.641 -18.055 5.122 1.00 0.00 C ATOM 652 CD ARG A 41 17.981 -18.115 6.509 1.00 0.00 C ATOM 653 NE ARG A 41 16.794 -17.244 6.621 1.00 0.00 N ATOM 654 CZ ARG A 41 16.427 -16.552 7.726 1.00 0.00 C ATOM 655 NH1 ARG A 41 17.137 -16.624 8.851 1.00 0.00 N ATOM 656 NH2 ARG A 41 15.322 -15.821 7.701 1.00 0.00 N ATOM 0 H ARG A 41 16.881 -19.804 1.799 1.00 0.00 H new ATOM 0 HA ARG A 41 18.706 -17.542 2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.839 -17.895 3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 41 17.368 -19.543 4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.544 -18.665 5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 41 18.951 -17.030 4.919 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.691 -19.144 6.723 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.710 -17.825 7.265 1.00 0.00 H new ATOM 0 HE ARG A 41 16.200 -17.156 5.796 1.00 0.00 H new ATOM 0 HH11 ARG A 41 17.973 -17.208 8.890 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.845 -16.096 9.673 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.755 -15.783 6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.038 -15.297 8.529 1.00 0.00 H new ATOM 670 N ASP A 42 20.794 -18.882 2.490 1.00 0.00 N ATOM 671 CA ASP A 42 22.077 -19.555 2.702 1.00 0.00 C ATOM 672 C ASP A 42 22.260 -19.815 4.202 1.00 0.00 C ATOM 673 O ASP A 42 22.413 -18.871 4.980 1.00 0.00 O ATOM 674 CB ASP A 42 23.213 -18.661 2.172 1.00 0.00 C ATOM 675 CG ASP A 42 24.603 -19.289 2.280 1.00 0.00 C ATOM 676 OD1 ASP A 42 24.927 -20.190 1.469 1.00 0.00 O ATOM 677 OD2 ASP A 42 25.373 -18.895 3.180 1.00 0.00 O ATOM 0 H ASP A 42 20.891 -17.893 2.261 1.00 0.00 H new ATOM 0 HA ASP A 42 22.098 -20.505 2.168 1.00 0.00 H new ATOM 0 HB2 ASP A 42 23.015 -18.421 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 42 23.207 -17.720 2.722 1.00 0.00 H new ATOM 682 N LEU A 43 22.214 -21.086 4.593 1.00 0.00 N ATOM 683 CA LEU A 43 22.250 -21.505 6.007 1.00 0.00 C ATOM 684 C LEU A 43 23.672 -21.606 6.579 1.00 0.00 C ATOM 685 O LEU A 43 23.824 -21.736 7.797 1.00 0.00 O ATOM 686 CB LEU A 43 21.492 -22.849 6.158 1.00 0.00 C ATOM 687 CG LEU A 43 19.967 -22.777 5.852 1.00 0.00 C ATOM 688 CD1 LEU A 43 19.305 -24.163 5.987 1.00 0.00 C ATOM 689 CD2 LEU A 43 19.285 -21.727 6.755 1.00 0.00 C ATOM 0 H LEU A 43 22.150 -21.866 3.939 1.00 0.00 H new ATOM 0 HA LEU A 43 21.756 -20.729 6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 43 21.947 -23.583 5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 43 21.627 -23.214 7.176 1.00 0.00 H new ATOM 0 HG LEU A 43 19.838 -22.461 4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 43 18.241 -24.081 5.767 1.00 0.00 H new ATOM 0 HD12 LEU A 43 19.768 -24.857 5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 43 19.438 -24.532 7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.219 -21.689 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.424 -22.001 7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 43 19.729 -20.748 6.574 1.00 0.00 H new ATOM 701 N THR A 44 24.714 -21.545 5.722 1.00 0.00 N ATOM 702 CA THR A 44 26.110 -21.683 6.198 1.00 0.00 C ATOM 703 C THR A 44 26.635 -20.332 6.722 1.00 0.00 C ATOM 704 O THR A 44 27.444 -20.297 7.656 1.00 0.00 O ATOM 705 CB THR A 44 27.079 -22.303 5.118 1.00 0.00 C ATOM 706 OG1 THR A 44 28.432 -22.341 5.615 1.00 0.00 O ATOM 707 CG2 THR A 44 27.050 -21.564 3.780 1.00 0.00 C ATOM 0 H THR A 44 24.620 -21.404 4.716 1.00 0.00 H new ATOM 0 HA THR A 44 26.095 -22.397 7.022 1.00 0.00 H new ATOM 0 HB THR A 44 26.716 -23.314 4.935 1.00 0.00 H new ATOM 0 HG1 THR A 44 29.020 -22.730 4.934 1.00 0.00 H new ATOM 0 HG21 THR A 44 27.739 -22.043 3.085 1.00 0.00 H new ATOM 0 HG22 THR A 44 26.041 -21.594 3.369 1.00 0.00 H new ATOM 0 HG23 THR A 44 27.349 -20.527 3.931 1.00 0.00 H new ATOM 715 N ASN A 45 26.158 -19.221 6.126 1.00 0.00 N ATOM 716 CA ASN A 45 26.453 -17.854 6.612 1.00 0.00 C ATOM 717 C ASN A 45 25.254 -17.301 7.405 1.00 0.00 C ATOM 718 O ASN A 45 25.430 -16.502 8.335 1.00 0.00 O ATOM 719 CB ASN A 45 26.783 -16.915 5.419 1.00 0.00 C ATOM 720 CG ASN A 45 27.168 -15.481 5.829 1.00 0.00 C ATOM 721 OD1 ASN A 45 28.340 -15.179 6.053 1.00 0.00 O ATOM 722 ND2 ASN A 45 26.182 -14.599 5.942 1.00 0.00 N ATOM 0 H ASN A 45 25.561 -19.243 5.299 1.00 0.00 H new ATOM 0 HA ASN A 45 27.320 -17.899 7.271 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.602 -17.349 4.846 1.00 0.00 H new ATOM 0 HB3 ASN A 45 25.919 -16.871 4.756 1.00 0.00 H new ATOM 0 HD21 ASN A 45 26.386 -13.639 6.222 1.00 0.00 H new ATOM 0 HD22 ASN A 45 25.221 -14.881 5.749 1.00 0.00 H new ATOM 729 N GLY A 46 24.032 -17.733 7.026 1.00 0.00 N ATOM 730 CA GLY A 46 22.801 -17.289 7.707 1.00 0.00 C ATOM 731 C GLY A 46 22.281 -15.979 7.128 1.00 0.00 C ATOM 732 O GLY A 46 21.956 -15.030 7.857 1.00 0.00 O ATOM 0 H GLY A 46 23.874 -18.384 6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 46 22.035 -18.059 7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 46 22.998 -17.164 8.772 1.00 0.00 H new ATOM 736 N LYS A 47 22.191 -15.956 5.793 1.00 0.00 N ATOM 737 CA LYS A 47 21.838 -14.767 5.002 1.00 0.00 C ATOM 738 C LYS A 47 20.728 -15.124 4.009 1.00 0.00 C ATOM 739 O LYS A 47 20.715 -16.232 3.470 1.00 0.00 O ATOM 740 CB LYS A 47 23.087 -14.253 4.234 1.00 0.00 C ATOM 741 CG LYS A 47 23.814 -15.344 3.424 1.00 0.00 C ATOM 742 CD LYS A 47 24.941 -14.808 2.518 1.00 0.00 C ATOM 743 CE LYS A 47 24.413 -13.895 1.400 1.00 0.00 C ATOM 744 NZ LYS A 47 25.483 -13.537 0.425 1.00 0.00 N ATOM 0 H LYS A 47 22.365 -16.781 5.218 1.00 0.00 H new ATOM 0 HA LYS A 47 21.485 -13.982 5.671 1.00 0.00 H new ATOM 0 HB2 LYS A 47 22.782 -13.454 3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 47 23.786 -13.817 4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 47 24.234 -16.075 4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 47 23.085 -15.870 2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.659 -14.256 3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 47 25.477 -15.647 2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 47 23.598 -14.395 0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 47 24.001 -12.986 1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 25.088 -12.921 -0.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 26.250 -13.037 0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 25.859 -14.403 -0.011 1.00 0.00 H new ATOM 758 N GLU A 48 19.804 -14.186 3.767 1.00 0.00 N ATOM 759 CA GLU A 48 18.698 -14.375 2.815 1.00 0.00 C ATOM 760 C GLU A 48 19.064 -13.792 1.444 1.00 0.00 C ATOM 761 O GLU A 48 19.477 -12.629 1.342 1.00 0.00 O ATOM 762 CB GLU A 48 17.414 -13.711 3.358 1.00 0.00 C ATOM 763 CG GLU A 48 16.913 -14.327 4.677 1.00 0.00 C ATOM 764 CD GLU A 48 15.571 -13.756 5.159 1.00 0.00 C ATOM 765 OE1 GLU A 48 15.511 -12.545 5.478 1.00 0.00 O ATOM 766 OE2 GLU A 48 14.572 -14.511 5.227 1.00 0.00 O ATOM 0 H GLU A 48 19.800 -13.274 4.224 1.00 0.00 H new ATOM 0 HA GLU A 48 18.517 -15.443 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.601 -12.648 3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.628 -13.791 2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.813 -15.405 4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.664 -14.166 5.450 1.00 0.00 H new ATOM 773 N ILE A 49 18.912 -14.621 0.404 1.00 0.00 N ATOM 774 CA ILE A 49 19.193 -14.248 -0.989 1.00 0.00 C ATOM 775 C ILE A 49 17.855 -14.061 -1.707 1.00 0.00 C ATOM 776 O ILE A 49 16.996 -14.958 -1.685 1.00 0.00 O ATOM 777 CB ILE A 49 20.063 -15.307 -1.782 1.00 0.00 C ATOM 778 CG1 ILE A 49 21.464 -15.542 -1.127 1.00 0.00 C ATOM 779 CG2 ILE A 49 20.234 -14.872 -3.262 1.00 0.00 C ATOM 780 CD1 ILE A 49 21.450 -16.324 0.173 1.00 0.00 C ATOM 0 H ILE A 49 18.586 -15.582 0.507 1.00 0.00 H new ATOM 0 HA ILE A 49 19.784 -13.332 -0.964 1.00 0.00 H new ATOM 0 HB ILE A 49 19.523 -16.253 -1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 49 22.097 -16.068 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 49 21.928 -14.573 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 49 20.835 -15.612 -3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 49 19.255 -14.795 -3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 49 20.733 -13.904 -3.301 1.00 0.00 H new ATOM 0 HD11 ILE A 49 22.469 -16.432 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.850 -15.792 0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 49 21.021 -17.311 -0.001 1.00 0.00 H new ATOM 792 N TRP A 50 17.692 -12.892 -2.325 1.00 0.00 N ATOM 793 CA TRP A 50 16.492 -12.514 -3.070 1.00 0.00 C ATOM 794 C TRP A 50 16.914 -12.108 -4.487 1.00 0.00 C ATOM 795 O TRP A 50 17.971 -11.489 -4.651 1.00 0.00 O ATOM 796 CB TRP A 50 15.803 -11.344 -2.339 1.00 0.00 C ATOM 797 CG TRP A 50 15.455 -11.636 -0.889 1.00 0.00 C ATOM 798 CD1 TRP A 50 16.093 -11.165 0.228 1.00 0.00 C ATOM 799 CD2 TRP A 50 14.396 -12.474 -0.411 1.00 0.00 C ATOM 800 NE1 TRP A 50 15.493 -11.652 1.354 1.00 0.00 N ATOM 801 CE2 TRP A 50 14.454 -12.456 0.991 1.00 0.00 C ATOM 802 CE3 TRP A 50 13.407 -13.237 -1.037 1.00 0.00 C ATOM 803 CZ2 TRP A 50 13.563 -13.165 1.780 1.00 0.00 C ATOM 804 CZ3 TRP A 50 12.521 -13.941 -0.252 1.00 0.00 C ATOM 805 CH2 TRP A 50 12.607 -13.901 1.143 1.00 0.00 C ATOM 0 H TRP A 50 18.407 -12.165 -2.321 1.00 0.00 H new ATOM 0 HA TRP A 50 15.788 -13.344 -3.134 1.00 0.00 H new ATOM 0 HB2 TRP A 50 16.456 -10.472 -2.376 1.00 0.00 H new ATOM 0 HB3 TRP A 50 14.891 -11.082 -2.875 1.00 0.00 H new ATOM 0 HD1 TRP A 50 16.947 -10.504 0.219 1.00 0.00 H new ATOM 0 HE1 TRP A 50 15.777 -11.447 2.312 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.339 -13.274 -2.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 13.623 -13.136 2.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 11.749 -14.533 -0.721 1.00 0.00 H new ATOM 0 HH2 TRP A 50 11.899 -14.467 1.731 1.00 0.00 H new ATOM 816 N ASP A 51 16.087 -12.442 -5.500 1.00 0.00 N ATOM 817 CA ASP A 51 16.403 -12.169 -6.922 1.00 0.00 C ATOM 818 C ASP A 51 16.512 -10.656 -7.165 1.00 0.00 C ATOM 819 O ASP A 51 15.770 -9.877 -6.563 1.00 0.00 O ATOM 820 CB ASP A 51 15.328 -12.804 -7.845 1.00 0.00 C ATOM 821 CG ASP A 51 15.658 -12.692 -9.349 1.00 0.00 C ATOM 822 OD1 ASP A 51 16.421 -13.540 -9.867 1.00 0.00 O ATOM 823 OD2 ASP A 51 15.188 -11.744 -10.007 1.00 0.00 O ATOM 0 H ASP A 51 15.189 -12.904 -5.360 1.00 0.00 H new ATOM 0 HA ASP A 51 17.366 -12.621 -7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.214 -13.856 -7.584 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.369 -12.322 -7.656 1.00 0.00 H new ATOM 828 N SER A 52 17.443 -10.241 -8.029 1.00 0.00 N ATOM 829 CA SER A 52 17.711 -8.813 -8.269 1.00 0.00 C ATOM 830 C SER A 52 16.533 -8.131 -8.992 1.00 0.00 C ATOM 831 O SER A 52 16.184 -6.992 -8.676 1.00 0.00 O ATOM 832 CB SER A 52 19.033 -8.643 -9.042 1.00 0.00 C ATOM 833 OG SER A 52 19.002 -9.329 -10.283 1.00 0.00 O ATOM 0 H SER A 52 18.027 -10.873 -8.577 1.00 0.00 H new ATOM 0 HA SER A 52 17.816 -8.315 -7.305 1.00 0.00 H new ATOM 0 HB2 SER A 52 19.220 -7.583 -9.216 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.859 -9.018 -8.438 1.00 0.00 H new ATOM 0 HG SER A 52 19.854 -9.200 -10.749 1.00 0.00 H new ATOM 839 N LYS A 53 15.903 -8.844 -9.942 1.00 0.00 N ATOM 840 CA LYS A 53 14.722 -8.332 -10.665 1.00 0.00 C ATOM 841 C LYS A 53 13.408 -8.643 -9.913 1.00 0.00 C ATOM 842 O LYS A 53 12.339 -8.253 -10.396 1.00 0.00 O ATOM 843 CB LYS A 53 14.659 -8.927 -12.095 1.00 0.00 C ATOM 844 CG LYS A 53 15.827 -8.518 -13.023 1.00 0.00 C ATOM 845 CD LYS A 53 15.589 -8.947 -14.495 1.00 0.00 C ATOM 846 CE LYS A 53 14.356 -8.265 -15.117 1.00 0.00 C ATOM 847 NZ LYS A 53 14.060 -8.761 -16.495 1.00 0.00 N ATOM 0 H LYS A 53 16.192 -9.779 -10.229 1.00 0.00 H new ATOM 0 HA LYS A 53 14.828 -7.249 -10.727 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.638 -10.014 -12.020 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.721 -8.621 -12.559 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.961 -7.437 -12.979 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.751 -8.969 -12.661 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.471 -8.705 -15.088 1.00 0.00 H new ATOM 0 HD3 LYS A 53 15.462 -10.029 -14.539 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.489 -8.437 -14.479 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.519 -7.188 -15.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.222 -8.271 -16.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.875 -8.574 -17.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.877 -9.784 -16.464 1.00 0.00 H new ATOM 861 N TRP A 54 13.501 -9.336 -8.743 1.00 0.00 N ATOM 862 CA TRP A 54 12.331 -9.713 -7.904 1.00 0.00 C ATOM 863 C TRP A 54 11.399 -8.518 -7.675 1.00 0.00 C ATOM 864 O TRP A 54 11.818 -7.488 -7.176 1.00 0.00 O ATOM 865 CB TRP A 54 12.804 -10.281 -6.536 1.00 0.00 C ATOM 866 CG TRP A 54 11.731 -10.527 -5.489 1.00 0.00 C ATOM 867 CD1 TRP A 54 10.486 -11.048 -5.674 1.00 0.00 C ATOM 868 CD2 TRP A 54 11.843 -10.280 -4.085 1.00 0.00 C ATOM 869 NE1 TRP A 54 9.825 -11.126 -4.477 1.00 0.00 N ATOM 870 CE2 TRP A 54 10.642 -10.673 -3.488 1.00 0.00 C ATOM 871 CE3 TRP A 54 12.857 -9.764 -3.277 1.00 0.00 C ATOM 872 CZ2 TRP A 54 10.428 -10.576 -2.124 1.00 0.00 C ATOM 873 CZ3 TRP A 54 12.642 -9.658 -1.921 1.00 0.00 C ATOM 874 CH2 TRP A 54 11.440 -10.066 -1.354 1.00 0.00 C ATOM 0 H TRP A 54 14.392 -9.648 -8.356 1.00 0.00 H new ATOM 0 HA TRP A 54 11.775 -10.482 -8.440 1.00 0.00 H new ATOM 0 HB2 TRP A 54 13.322 -11.222 -6.720 1.00 0.00 H new ATOM 0 HB3 TRP A 54 13.536 -9.591 -6.117 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.079 -11.355 -6.626 1.00 0.00 H new ATOM 0 HE1 TRP A 54 8.873 -11.469 -4.348 1.00 0.00 H new ATOM 0 HE3 TRP A 54 13.797 -9.452 -3.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 9.495 -10.892 -1.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 13.418 -9.252 -1.289 1.00 0.00 H new ATOM 0 HH2 TRP A 54 11.301 -9.979 -0.286 1.00 0.00 H new ATOM 885 N SER A 55 10.154 -8.671 -8.103 1.00 0.00 N ATOM 886 CA SER A 55 9.093 -7.705 -7.876 1.00 0.00 C ATOM 887 C SER A 55 7.767 -8.449 -7.927 1.00 0.00 C ATOM 888 O SER A 55 7.544 -9.241 -8.854 1.00 0.00 O ATOM 889 CB SER A 55 9.163 -6.585 -8.940 1.00 0.00 C ATOM 890 OG SER A 55 9.322 -7.116 -10.252 1.00 0.00 O ATOM 0 H SER A 55 9.848 -9.489 -8.630 1.00 0.00 H new ATOM 0 HA SER A 55 9.200 -7.228 -6.902 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.254 -5.985 -8.898 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.995 -5.919 -8.713 1.00 0.00 H new ATOM 0 HG SER A 55 10.233 -7.462 -10.357 1.00 0.00 H new ATOM 896 N LEU A 56 6.909 -8.251 -6.919 1.00 0.00 N ATOM 897 CA LEU A 56 5.579 -8.872 -6.887 1.00 0.00 C ATOM 898 C LEU A 56 4.526 -7.765 -6.967 1.00 0.00 C ATOM 899 O LEU A 56 4.692 -6.711 -6.353 1.00 0.00 O ATOM 900 CB LEU A 56 5.386 -9.737 -5.608 1.00 0.00 C ATOM 901 CG LEU A 56 4.131 -10.670 -5.608 1.00 0.00 C ATOM 902 CD1 LEU A 56 4.168 -11.674 -6.781 1.00 0.00 C ATOM 903 CD2 LEU A 56 3.989 -11.402 -4.262 1.00 0.00 C ATOM 0 H LEU A 56 7.113 -7.663 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 56 5.472 -9.544 -7.738 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.275 -10.353 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.322 -9.072 -4.747 1.00 0.00 H new ATOM 0 HG LEU A 56 3.254 -10.038 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.280 -12.305 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.191 -11.130 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.059 -12.297 -6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.109 -12.044 -4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.876 -12.009 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.881 -10.672 -3.460 1.00 0.00 H new ATOM 915 N THR A 57 3.459 -8.011 -7.737 1.00 0.00 N ATOM 916 CA THR A 57 2.378 -7.042 -7.957 1.00 0.00 C ATOM 917 C THR A 57 1.092 -7.530 -7.267 1.00 0.00 C ATOM 918 O THR A 57 0.889 -8.743 -7.114 1.00 0.00 O ATOM 919 CB THR A 57 2.127 -6.849 -9.496 1.00 0.00 C ATOM 920 OG1 THR A 57 3.379 -6.626 -10.171 1.00 0.00 O ATOM 921 CG2 THR A 57 1.204 -5.657 -9.798 1.00 0.00 C ATOM 0 H THR A 57 3.320 -8.894 -8.228 1.00 0.00 H new ATOM 0 HA THR A 57 2.669 -6.083 -7.529 1.00 0.00 H new ATOM 0 HB THR A 57 1.643 -7.759 -9.850 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.566 -5.665 -10.205 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.064 -5.569 -10.875 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.238 -5.814 -9.318 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.655 -4.742 -9.415 1.00 0.00 H new ATOM 929 N GLN A 58 0.244 -6.583 -6.837 1.00 0.00 N ATOM 930 CA GLN A 58 -1.078 -6.883 -6.278 1.00 0.00 C ATOM 931 C GLN A 58 -1.990 -5.667 -6.505 1.00 0.00 C ATOM 932 O GLN A 58 -1.619 -4.537 -6.168 1.00 0.00 O ATOM 933 CB GLN A 58 -0.980 -7.246 -4.765 1.00 0.00 C ATOM 934 CG GLN A 58 -2.093 -8.186 -4.266 1.00 0.00 C ATOM 935 CD GLN A 58 -2.000 -9.603 -4.836 1.00 0.00 C ATOM 936 OE1 GLN A 58 -0.784 -10.123 -4.987 1.00 0.00 O flip ATOM 937 NE2 GLN A 58 -3.016 -10.245 -5.093 1.00 0.00 N flip ATOM 0 H GLN A 58 0.459 -5.586 -6.868 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.501 -7.753 -6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.014 -7.714 -4.577 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.008 -6.327 -4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.053 -8.238 -3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.061 -7.760 -4.529 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.934 -9.819 -4.967 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.941 -11.204 -5.432 1.00 0.00 H new ATOM 946 N THR A 59 -3.169 -5.911 -7.094 1.00 0.00 N ATOM 947 CA THR A 59 -4.104 -4.854 -7.493 1.00 0.00 C ATOM 948 C THR A 59 -4.890 -4.319 -6.285 1.00 0.00 C ATOM 949 O THR A 59 -5.711 -5.043 -5.705 1.00 0.00 O ATOM 950 CB THR A 59 -5.108 -5.387 -8.567 1.00 0.00 C ATOM 951 OG1 THR A 59 -4.385 -6.007 -9.649 1.00 0.00 O ATOM 952 CG2 THR A 59 -6.014 -4.271 -9.122 1.00 0.00 C ATOM 0 H THR A 59 -3.501 -6.852 -7.307 1.00 0.00 H new ATOM 0 HA THR A 59 -3.516 -4.040 -7.916 1.00 0.00 H new ATOM 0 HB THR A 59 -5.749 -6.120 -8.078 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.534 -5.501 -10.475 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.694 -4.690 -9.864 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.591 -3.832 -8.308 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.399 -3.501 -9.587 1.00 0.00 H new ATOM 960 N PHE A 60 -4.601 -3.072 -5.884 1.00 0.00 N ATOM 961 CA PHE A 60 -5.470 -2.324 -4.956 1.00 0.00 C ATOM 962 C PHE A 60 -6.705 -1.840 -5.721 1.00 0.00 C ATOM 963 O PHE A 60 -6.579 -1.277 -6.808 1.00 0.00 O ATOM 964 CB PHE A 60 -4.737 -1.113 -4.289 1.00 0.00 C ATOM 965 CG PHE A 60 -3.977 -1.453 -3.004 1.00 0.00 C ATOM 966 CD1 PHE A 60 -4.668 -1.716 -1.819 1.00 0.00 C ATOM 967 CD2 PHE A 60 -2.588 -1.519 -2.978 1.00 0.00 C ATOM 968 CE1 PHE A 60 -3.985 -2.033 -0.660 1.00 0.00 C ATOM 969 CE2 PHE A 60 -1.909 -1.833 -1.823 1.00 0.00 C ATOM 970 CZ PHE A 60 -2.608 -2.090 -0.666 1.00 0.00 C ATOM 0 H PHE A 60 -3.773 -2.558 -6.186 1.00 0.00 H new ATOM 0 HA PHE A 60 -5.759 -2.995 -4.147 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -4.036 -0.689 -5.008 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.472 -0.339 -4.066 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -5.747 -1.671 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.031 -1.320 -3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.530 -2.236 0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.830 -1.878 -1.825 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.076 -2.337 0.241 1.00 0.00 H new ATOM 980 N GLU A 61 -7.883 -2.098 -5.153 1.00 0.00 N ATOM 981 CA GLU A 61 -9.163 -1.571 -5.648 1.00 0.00 C ATOM 982 C GLU A 61 -10.263 -1.793 -4.598 1.00 0.00 C ATOM 983 O GLU A 61 -10.008 -2.403 -3.551 1.00 0.00 O ATOM 984 CB GLU A 61 -9.555 -2.168 -7.032 1.00 0.00 C ATOM 985 CG GLU A 61 -9.612 -3.706 -7.112 1.00 0.00 C ATOM 986 CD GLU A 61 -10.168 -4.196 -8.463 1.00 0.00 C ATOM 987 OE1 GLU A 61 -11.407 -4.308 -8.598 1.00 0.00 O ATOM 988 OE2 GLU A 61 -9.379 -4.431 -9.401 1.00 0.00 O ATOM 0 H GLU A 61 -7.981 -2.686 -4.325 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.046 -0.499 -5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.531 -1.773 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.841 -1.811 -7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.612 -4.114 -6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.236 -4.088 -6.304 1.00 0.00 H new ATOM 995 N ALA A 62 -11.466 -1.247 -4.883 1.00 0.00 N ATOM 996 CA ALA A 62 -12.648 -1.310 -3.996 1.00 0.00 C ATOM 997 C ALA A 62 -12.463 -0.439 -2.728 1.00 0.00 C ATOM 998 O ALA A 62 -12.558 -0.934 -1.595 1.00 0.00 O ATOM 999 CB ALA A 62 -13.034 -2.773 -3.654 1.00 0.00 C ATOM 0 H ALA A 62 -11.645 -0.742 -5.751 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.488 -0.886 -4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.907 -2.776 -3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.266 -3.312 -4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.201 -3.260 -3.148 1.00 0.00 H new ATOM 1005 N LEU A 63 -12.194 0.875 -2.927 1.00 0.00 N ATOM 1006 CA LEU A 63 -12.098 1.871 -1.822 1.00 0.00 C ATOM 1007 C LEU A 63 -13.260 2.901 -1.932 1.00 0.00 C ATOM 1008 O LEU A 63 -13.139 3.918 -2.628 1.00 0.00 O ATOM 1009 CB LEU A 63 -10.699 2.584 -1.777 1.00 0.00 C ATOM 1010 CG LEU A 63 -9.526 1.768 -1.127 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -9.953 1.221 0.247 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -8.998 0.646 -2.047 1.00 0.00 C ATOM 0 H LEU A 63 -12.038 1.276 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.194 1.332 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.413 2.842 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.809 3.520 -1.230 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.692 2.455 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.130 0.657 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.215 2.051 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.817 0.567 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.188 0.115 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.805 -0.051 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.627 1.081 -2.975 1.00 0.00 H new ATOM 1024 N PRO A 64 -14.415 2.627 -1.244 1.00 0.00 N ATOM 1025 CA PRO A 64 -15.633 3.466 -1.318 1.00 0.00 C ATOM 1026 C PRO A 64 -15.602 4.671 -0.342 1.00 0.00 C ATOM 1027 O PRO A 64 -15.826 4.518 0.866 1.00 0.00 O ATOM 1028 CB PRO A 64 -16.744 2.443 -0.956 1.00 0.00 C ATOM 1029 CG PRO A 64 -16.092 1.490 0.010 1.00 0.00 C ATOM 1030 CD PRO A 64 -14.619 1.462 -0.341 1.00 0.00 C ATOM 0 HA PRO A 64 -15.768 3.943 -2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.604 2.937 -0.504 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.105 1.922 -1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.239 1.819 1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.529 0.495 -0.072 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.999 1.542 0.552 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.349 0.528 -0.834 1.00 0.00 H new ATOM 1038 N SER A 65 -15.267 5.863 -0.870 1.00 0.00 N ATOM 1039 CA SER A 65 -15.324 7.125 -0.103 1.00 0.00 C ATOM 1040 C SER A 65 -16.793 7.625 -0.022 1.00 0.00 C ATOM 1041 O SER A 65 -17.438 7.755 -1.066 1.00 0.00 O ATOM 1042 CB SER A 65 -14.413 8.193 -0.762 1.00 0.00 C ATOM 1043 OG SER A 65 -13.062 7.768 -0.767 1.00 0.00 O ATOM 0 H SER A 65 -14.951 5.980 -1.833 1.00 0.00 H new ATOM 0 HA SER A 65 -14.961 6.947 0.909 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.744 8.379 -1.784 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.500 9.136 -0.222 1.00 0.00 H new ATOM 0 HG SER A 65 -12.831 7.422 -1.654 1.00 0.00 H new ATOM 1049 N PRO A 66 -17.355 7.861 1.220 1.00 0.00 N ATOM 1050 CA PRO A 66 -18.740 8.373 1.412 1.00 0.00 C ATOM 1051 C PRO A 66 -19.024 9.657 0.601 1.00 0.00 C ATOM 1052 O PRO A 66 -18.301 10.653 0.727 1.00 0.00 O ATOM 1053 CB PRO A 66 -18.830 8.634 2.953 1.00 0.00 C ATOM 1054 CG PRO A 66 -17.414 8.588 3.442 1.00 0.00 C ATOM 1055 CD PRO A 66 -16.714 7.610 2.532 1.00 0.00 C ATOM 0 HA PRO A 66 -19.487 7.664 1.054 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.288 9.601 3.163 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.442 7.878 3.446 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.949 9.573 3.395 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.366 8.263 4.481 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.639 7.789 2.497 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.856 6.580 2.860 1.00 0.00 H new ATOM 1063 N VAL A 67 -20.063 9.601 -0.255 1.00 0.00 N ATOM 1064 CA VAL A 67 -20.508 10.754 -1.050 1.00 0.00 C ATOM 1065 C VAL A 67 -21.194 11.772 -0.129 1.00 0.00 C ATOM 1066 O VAL A 67 -22.300 11.526 0.368 1.00 0.00 O ATOM 1067 CB VAL A 67 -21.496 10.318 -2.187 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -21.960 11.541 -3.018 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -20.857 9.226 -3.078 1.00 0.00 C ATOM 0 H VAL A 67 -20.613 8.757 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 67 -19.634 11.205 -1.520 1.00 0.00 H new ATOM 0 HB VAL A 67 -22.384 9.886 -1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -22.644 11.211 -3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -22.469 12.252 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -21.094 12.021 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -21.559 8.938 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -19.946 9.615 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -20.615 8.355 -2.469 1.00 0.00 H new ATOM 1079 N ILE A 68 -20.527 12.903 0.104 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.025 13.954 0.990 1.00 0.00 C ATOM 1081 C ILE A 68 -21.609 15.091 0.134 1.00 0.00 C ATOM 1082 O ILE A 68 -20.892 15.697 -0.660 1.00 0.00 O ATOM 1083 CB ILE A 68 -19.875 14.464 1.937 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -19.249 13.259 2.717 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -20.399 15.532 2.911 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.176 13.611 3.732 1.00 0.00 C ATOM 0 H ILE A 68 -19.623 13.116 -0.318 1.00 0.00 H new ATOM 0 HA ILE A 68 -21.814 13.561 1.631 1.00 0.00 H new ATOM 0 HB ILE A 68 -19.100 14.924 1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.050 12.730 3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -18.823 12.565 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -19.586 15.868 3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -20.789 16.379 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.194 15.107 3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -17.815 12.701 4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -17.348 14.109 3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -18.594 14.277 4.487 1.00 0.00 H new ATOM 1098 N ILE A 69 -22.925 15.338 0.280 1.00 0.00 N ATOM 1099 CA ILE A 69 -23.657 16.327 -0.521 1.00 0.00 C ATOM 1100 C ILE A 69 -23.277 17.755 -0.081 1.00 0.00 C ATOM 1101 O ILE A 69 -23.184 18.055 1.116 1.00 0.00 O ATOM 1102 CB ILE A 69 -25.211 16.094 -0.411 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -25.584 14.628 -0.814 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -26.009 17.106 -1.267 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -25.234 14.242 -2.253 1.00 0.00 C ATOM 0 H ILE A 69 -23.509 14.853 0.961 1.00 0.00 H new ATOM 0 HA ILE A 69 -23.377 16.205 -1.567 1.00 0.00 H new ATOM 0 HB ILE A 69 -25.486 16.253 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -25.077 13.941 -0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -26.655 14.488 -0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -27.076 16.910 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -25.792 18.119 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -25.722 17.003 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -25.531 13.209 -2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -25.762 14.899 -2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -24.159 14.343 -2.406 1.00 0.00 H new ATOM 1117 N GLY A 70 -23.048 18.617 -1.077 1.00 0.00 N ATOM 1118 CA GLY A 70 -22.502 19.951 -0.862 1.00 0.00 C ATOM 1119 C GLY A 70 -20.988 19.951 -0.909 1.00 0.00 C ATOM 1120 O GLY A 70 -20.368 21.012 -0.832 1.00 0.00 O ATOM 0 H GLY A 70 -23.238 18.404 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.890 20.630 -1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.836 20.330 0.104 1.00 0.00 H new ATOM 1124 N TYR A 71 -20.386 18.746 -1.041 1.00 0.00 N ATOM 1125 CA TYR A 71 -18.929 18.547 -1.074 1.00 0.00 C ATOM 1126 C TYR A 71 -18.538 17.676 -2.272 1.00 0.00 C ATOM 1127 O TYR A 71 -19.393 17.129 -2.983 1.00 0.00 O ATOM 1128 CB TYR A 71 -18.425 17.894 0.247 1.00 0.00 C ATOM 1129 CG TYR A 71 -18.608 18.774 1.495 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -19.836 18.844 2.160 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -17.564 19.557 1.991 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -20.012 19.649 3.262 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -17.743 20.369 3.096 1.00 0.00 C ATOM 1134 CZ TYR A 71 -18.965 20.412 3.727 1.00 0.00 C ATOM 1135 OH TYR A 71 -19.146 21.227 4.825 1.00 0.00 O ATOM 0 H TYR A 71 -20.912 17.876 -1.128 1.00 0.00 H new ATOM 0 HA TYR A 71 -18.457 19.524 -1.176 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -18.954 16.953 0.399 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -17.368 17.652 0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -20.665 18.253 1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -16.601 19.528 1.504 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -20.969 19.682 3.761 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -16.924 20.969 3.464 1.00 0.00 H new ATOM 0 HH TYR A 71 -18.310 21.697 5.025 1.00 0.00 H new ATOM 1145 N THR A 72 -17.230 17.573 -2.483 1.00 0.00 N ATOM 1146 CA THR A 72 -16.612 16.756 -3.523 1.00 0.00 C ATOM 1147 C THR A 72 -15.311 16.200 -2.950 1.00 0.00 C ATOM 1148 O THR A 72 -14.468 16.974 -2.474 1.00 0.00 O ATOM 1149 CB THR A 72 -16.296 17.603 -4.803 1.00 0.00 C ATOM 1150 OG1 THR A 72 -17.489 18.230 -5.285 1.00 0.00 O ATOM 1151 CG2 THR A 72 -15.687 16.767 -5.942 1.00 0.00 C ATOM 0 H THR A 72 -16.546 18.073 -1.915 1.00 0.00 H new ATOM 0 HA THR A 72 -17.295 15.959 -3.817 1.00 0.00 H new ATOM 0 HB THR A 72 -15.559 18.348 -4.503 1.00 0.00 H new ATOM 0 HG1 THR A 72 -17.281 18.758 -6.084 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.491 17.410 -6.800 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.753 16.317 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 72 -16.385 15.981 -6.230 1.00 0.00 H new ATOM 1159 N ALA A 73 -15.164 14.869 -2.954 1.00 0.00 N ATOM 1160 CA ALA A 73 -13.912 14.220 -2.560 1.00 0.00 C ATOM 1161 C ALA A 73 -12.832 14.540 -3.607 1.00 0.00 C ATOM 1162 O ALA A 73 -13.073 14.412 -4.812 1.00 0.00 O ATOM 1163 CB ALA A 73 -14.118 12.710 -2.413 1.00 0.00 C ATOM 0 H ALA A 73 -15.902 14.220 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.586 14.600 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.179 12.241 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.873 12.518 -1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.450 12.294 -3.364 1.00 0.00 H new ATOM 1169 N ASP A 74 -11.655 14.969 -3.127 1.00 0.00 N ATOM 1170 CA ASP A 74 -10.526 15.397 -3.978 1.00 0.00 C ATOM 1171 C ASP A 74 -9.938 14.173 -4.691 1.00 0.00 C ATOM 1172 O ASP A 74 -9.543 14.227 -5.860 1.00 0.00 O ATOM 1173 CB ASP A 74 -9.457 16.109 -3.109 1.00 0.00 C ATOM 1174 CG ASP A 74 -8.269 16.663 -3.918 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -7.303 15.914 -4.175 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -8.294 17.849 -4.301 1.00 0.00 O ATOM 0 H ASP A 74 -11.455 15.030 -2.129 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.872 16.103 -4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.929 16.928 -2.567 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.082 15.408 -2.364 1.00 0.00 H new ATOM 1181 N LYS A 75 -9.894 13.072 -3.938 1.00 0.00 N ATOM 1182 CA LYS A 75 -9.584 11.746 -4.443 1.00 0.00 C ATOM 1183 C LYS A 75 -10.647 10.768 -3.877 1.00 0.00 C ATOM 1184 O LYS A 75 -10.428 10.154 -2.843 1.00 0.00 O ATOM 1185 CB LYS A 75 -8.103 11.312 -4.120 1.00 0.00 C ATOM 1186 CG LYS A 75 -7.642 11.413 -2.639 1.00 0.00 C ATOM 1187 CD LYS A 75 -7.285 12.847 -2.157 1.00 0.00 C ATOM 1188 CE LYS A 75 -5.875 13.323 -2.577 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.727 13.487 -4.050 1.00 0.00 N ATOM 0 H LYS A 75 -10.079 13.085 -2.935 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.632 11.737 -5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.975 10.279 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.432 11.922 -4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.432 11.018 -2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.771 10.772 -2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.024 13.545 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.360 12.882 -1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.659 14.273 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.135 12.606 -2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.950 14.149 -4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.515 12.565 -4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.612 13.861 -4.448 1.00 0.00 H new ATOM 1203 N PRO A 76 -11.850 10.636 -4.549 1.00 0.00 N ATOM 1204 CA PRO A 76 -12.946 9.714 -4.096 1.00 0.00 C ATOM 1205 C PRO A 76 -12.570 8.223 -4.205 1.00 0.00 C ATOM 1206 O PRO A 76 -13.337 7.336 -3.788 1.00 0.00 O ATOM 1207 CB PRO A 76 -14.127 10.082 -5.037 1.00 0.00 C ATOM 1208 CG PRO A 76 -13.465 10.613 -6.265 1.00 0.00 C ATOM 1209 CD PRO A 76 -12.245 11.365 -5.788 1.00 0.00 C ATOM 0 HA PRO A 76 -13.177 9.840 -3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.743 9.212 -5.262 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.781 10.827 -4.583 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.185 9.803 -6.939 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -14.137 11.270 -6.818 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.449 11.352 -6.532 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -12.473 12.411 -5.583 1.00 0.00 H new ATOM 1217 N MET A 77 -11.385 7.974 -4.762 1.00 0.00 N ATOM 1218 CA MET A 77 -10.773 6.664 -4.825 1.00 0.00 C ATOM 1219 C MET A 77 -9.256 6.821 -4.655 1.00 0.00 C ATOM 1220 O MET A 77 -8.657 7.748 -5.224 1.00 0.00 O ATOM 1221 CB MET A 77 -11.096 5.995 -6.178 1.00 0.00 C ATOM 1222 CG MET A 77 -10.493 4.606 -6.324 1.00 0.00 C ATOM 1223 SD MET A 77 -11.116 3.475 -5.072 1.00 0.00 S ATOM 1224 CE MET A 77 -10.188 1.999 -5.450 1.00 0.00 C ATOM 0 H MET A 77 -10.816 8.704 -5.191 1.00 0.00 H new ATOM 0 HA MET A 77 -11.166 6.031 -4.029 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.178 5.927 -6.292 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.729 6.629 -6.985 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.720 4.213 -7.315 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.408 4.671 -6.248 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.139 1.364 -4.566 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.679 1.458 -6.259 1.00 0.00 H new ATOM 0 HE3 MET A 77 -9.178 2.273 -5.757 1.00 0.00 H new ATOM 1234 N VAL A 78 -8.650 5.939 -3.844 1.00 0.00 N ATOM 1235 CA VAL A 78 -7.187 5.820 -3.718 1.00 0.00 C ATOM 1236 C VAL A 78 -6.789 4.357 -3.987 1.00 0.00 C ATOM 1237 O VAL A 78 -7.325 3.444 -3.352 1.00 0.00 O ATOM 1238 CB VAL A 78 -6.661 6.267 -2.302 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -5.127 6.118 -2.214 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -7.099 7.714 -1.969 1.00 0.00 C ATOM 0 H VAL A 78 -9.163 5.284 -3.254 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.729 6.489 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.109 5.609 -1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.787 6.433 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.853 5.076 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.657 6.740 -2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.720 7.992 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.699 8.397 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.187 7.774 -1.968 1.00 0.00 H new ATOM 1250 N GLY A 79 -5.852 4.164 -4.933 1.00 0.00 N ATOM 1251 CA GLY A 79 -5.402 2.835 -5.357 1.00 0.00 C ATOM 1252 C GLY A 79 -6.489 2.057 -6.099 1.00 0.00 C ATOM 1253 O GLY A 79 -7.065 1.136 -5.529 1.00 0.00 O ATOM 0 H GLY A 79 -5.388 4.929 -5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.530 2.939 -6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.085 2.266 -4.483 1.00 0.00 H new ATOM 1257 N PRO A 80 -6.839 2.443 -7.364 1.00 0.00 N ATOM 1258 CA PRO A 80 -7.815 1.709 -8.196 1.00 0.00 C ATOM 1259 C PRO A 80 -7.181 0.721 -9.199 1.00 0.00 C ATOM 1260 O PRO A 80 -7.854 0.340 -10.172 1.00 0.00 O ATOM 1261 CB PRO A 80 -8.498 2.879 -8.936 1.00 0.00 C ATOM 1262 CG PRO A 80 -7.376 3.844 -9.211 1.00 0.00 C ATOM 1263 CD PRO A 80 -6.381 3.678 -8.067 1.00 0.00 C ATOM 0 HA PRO A 80 -8.470 1.068 -7.606 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.972 2.545 -9.859 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.277 3.336 -8.326 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.905 3.630 -10.170 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.746 4.868 -9.259 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.361 3.571 -8.437 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.390 4.542 -7.402 1.00 0.00 H new ATOM 1271 N ASP A 81 -5.936 0.261 -8.947 1.00 0.00 N ATOM 1272 CA ASP A 81 -5.178 -0.528 -9.941 1.00 0.00 C ATOM 1273 C ASP A 81 -3.942 -1.236 -9.312 1.00 0.00 C ATOM 1274 O ASP A 81 -3.777 -1.259 -8.091 1.00 0.00 O ATOM 1275 CB ASP A 81 -4.761 0.376 -11.144 1.00 0.00 C ATOM 1276 CG ASP A 81 -3.696 1.433 -10.785 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -4.035 2.451 -10.155 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -2.508 1.239 -11.126 1.00 0.00 O ATOM 0 H ASP A 81 -5.438 0.421 -8.071 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.835 -1.317 -10.308 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.378 -0.255 -11.946 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.646 0.881 -11.531 1.00 0.00 H new ATOM 1283 N GLU A 82 -3.085 -1.781 -10.203 1.00 0.00 N ATOM 1284 CA GLU A 82 -1.944 -2.659 -9.860 1.00 0.00 C ATOM 1285 C GLU A 82 -0.844 -1.890 -9.103 1.00 0.00 C ATOM 1286 O GLU A 82 -0.460 -0.793 -9.510 1.00 0.00 O ATOM 1287 CB GLU A 82 -1.346 -3.300 -11.144 1.00 0.00 C ATOM 1288 CG GLU A 82 -2.268 -4.288 -11.899 1.00 0.00 C ATOM 1289 CD GLU A 82 -3.529 -3.653 -12.506 1.00 0.00 C ATOM 1290 OE1 GLU A 82 -3.400 -2.741 -13.349 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -4.654 -4.067 -12.157 1.00 0.00 O ATOM 0 H GLU A 82 -3.170 -1.618 -11.206 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.322 -3.444 -9.206 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.065 -2.500 -11.829 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.430 -3.824 -10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.695 -4.761 -12.697 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.570 -5.079 -11.212 1.00 0.00 H new ATOM 1298 N VAL A 83 -0.354 -2.483 -8.003 1.00 0.00 N ATOM 1299 CA VAL A 83 0.741 -1.930 -7.185 1.00 0.00 C ATOM 1300 C VAL A 83 1.888 -2.952 -7.119 1.00 0.00 C ATOM 1301 O VAL A 83 1.730 -4.019 -6.526 1.00 0.00 O ATOM 1302 CB VAL A 83 0.223 -1.552 -5.736 1.00 0.00 C ATOM 1303 CG1 VAL A 83 1.376 -1.177 -4.773 1.00 0.00 C ATOM 1304 CG2 VAL A 83 -0.818 -0.412 -5.827 1.00 0.00 C ATOM 0 H VAL A 83 -0.711 -3.371 -7.651 1.00 0.00 H new ATOM 0 HA VAL A 83 1.111 -1.014 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.253 -2.438 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.966 -0.927 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.058 -2.022 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.917 -0.318 -5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.169 -0.159 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.358 0.465 -6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.662 -0.737 -6.436 1.00 0.00 H new ATOM 1314 N THR A 84 3.020 -2.637 -7.770 1.00 0.00 N ATOM 1315 CA THR A 84 4.191 -3.521 -7.809 1.00 0.00 C ATOM 1316 C THR A 84 5.199 -3.096 -6.731 1.00 0.00 C ATOM 1317 O THR A 84 5.700 -1.974 -6.768 1.00 0.00 O ATOM 1318 CB THR A 84 4.880 -3.466 -9.212 1.00 0.00 C ATOM 1319 OG1 THR A 84 3.913 -3.713 -10.250 1.00 0.00 O ATOM 1320 CG2 THR A 84 6.029 -4.480 -9.331 1.00 0.00 C ATOM 0 H THR A 84 3.146 -1.764 -8.282 1.00 0.00 H new ATOM 0 HA THR A 84 3.857 -4.541 -7.621 1.00 0.00 H new ATOM 0 HB THR A 84 5.300 -2.467 -9.326 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.354 -3.675 -11.124 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.478 -4.406 -10.321 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.783 -4.266 -8.574 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.642 -5.488 -9.182 1.00 0.00 H new ATOM 1328 N VAL A 85 5.464 -3.978 -5.764 1.00 0.00 N ATOM 1329 CA VAL A 85 6.522 -3.767 -4.765 1.00 0.00 C ATOM 1330 C VAL A 85 7.776 -4.540 -5.216 1.00 0.00 C ATOM 1331 O VAL A 85 7.742 -5.769 -5.336 1.00 0.00 O ATOM 1332 CB VAL A 85 6.062 -4.218 -3.329 1.00 0.00 C ATOM 1333 CG1 VAL A 85 7.118 -3.871 -2.259 1.00 0.00 C ATOM 1334 CG2 VAL A 85 4.704 -3.589 -2.972 1.00 0.00 C ATOM 0 H VAL A 85 4.956 -4.855 -5.649 1.00 0.00 H new ATOM 0 HA VAL A 85 6.748 -2.703 -4.697 1.00 0.00 H new ATOM 0 HB VAL A 85 5.951 -5.302 -3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.765 -4.197 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.054 -4.377 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.281 -2.793 -2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.404 -3.913 -1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.790 -2.503 -2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.955 -3.905 -3.698 1.00 0.00 H new ATOM 1344 N ASP A 86 8.862 -3.802 -5.500 1.00 0.00 N ATOM 1345 CA ASP A 86 10.113 -4.360 -6.054 1.00 0.00 C ATOM 1346 C ASP A 86 11.086 -4.719 -4.942 1.00 0.00 C ATOM 1347 O ASP A 86 10.981 -4.167 -3.858 1.00 0.00 O ATOM 1348 CB ASP A 86 10.780 -3.330 -6.987 1.00 0.00 C ATOM 1349 CG ASP A 86 10.005 -3.091 -8.285 1.00 0.00 C ATOM 1350 OD1 ASP A 86 8.891 -2.530 -8.227 1.00 0.00 O ATOM 1351 OD2 ASP A 86 10.519 -3.444 -9.368 1.00 0.00 O ATOM 0 H ASP A 86 8.900 -2.794 -5.351 1.00 0.00 H new ATOM 0 HA ASP A 86 9.861 -5.262 -6.612 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.884 -2.384 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.786 -3.671 -7.231 1.00 0.00 H new ATOM 1356 N SER A 87 12.092 -5.557 -5.274 1.00 0.00 N ATOM 1357 CA SER A 87 13.142 -6.020 -4.338 1.00 0.00 C ATOM 1358 C SER A 87 13.897 -4.835 -3.741 1.00 0.00 C ATOM 1359 O SER A 87 14.259 -4.846 -2.563 1.00 0.00 O ATOM 1360 CB SER A 87 14.126 -6.960 -5.076 1.00 0.00 C ATOM 1361 OG SER A 87 14.650 -6.345 -6.251 1.00 0.00 O ATOM 0 H SER A 87 12.200 -5.937 -6.214 1.00 0.00 H new ATOM 0 HA SER A 87 12.665 -6.566 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.944 -7.229 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.616 -7.885 -5.344 1.00 0.00 H new ATOM 0 HG SER A 87 15.158 -7.005 -6.767 1.00 0.00 H new ATOM 1367 N LYS A 88 14.061 -3.804 -4.589 1.00 0.00 N ATOM 1368 CA LYS A 88 14.687 -2.519 -4.241 1.00 0.00 C ATOM 1369 C LYS A 88 14.085 -1.938 -2.945 1.00 0.00 C ATOM 1370 O LYS A 88 14.807 -1.563 -2.011 1.00 0.00 O ATOM 1371 CB LYS A 88 14.458 -1.509 -5.401 1.00 0.00 C ATOM 1372 CG LYS A 88 14.942 -1.982 -6.786 1.00 0.00 C ATOM 1373 CD LYS A 88 14.633 -0.958 -7.908 1.00 0.00 C ATOM 1374 CE LYS A 88 13.126 -0.739 -8.118 1.00 0.00 C ATOM 1375 NZ LYS A 88 12.839 0.339 -9.108 1.00 0.00 N ATOM 0 H LYS A 88 13.753 -3.844 -5.561 1.00 0.00 H new ATOM 0 HA LYS A 88 15.752 -2.688 -4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.393 -1.286 -5.462 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.966 -0.576 -5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 88 16.016 -2.162 -6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.468 -2.933 -7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.103 -0.005 -7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.079 -1.303 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.670 -1.670 -8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.662 -0.485 -7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.810 0.448 -9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 13.249 1.235 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.257 0.087 -10.026 1.00 0.00 H new ATOM 1389 N ASN A 89 12.745 -1.903 -2.921 1.00 0.00 N ATOM 1390 CA ASN A 89 11.958 -1.249 -1.867 1.00 0.00 C ATOM 1391 C ASN A 89 11.065 -2.248 -1.119 1.00 0.00 C ATOM 1392 O ASN A 89 10.157 -1.821 -0.421 1.00 0.00 O ATOM 1393 CB ASN A 89 11.098 -0.124 -2.512 1.00 0.00 C ATOM 1394 CG ASN A 89 9.941 -0.642 -3.384 1.00 0.00 C ATOM 1395 OD1 ASN A 89 10.120 -0.942 -4.564 1.00 0.00 O ATOM 1396 ND2 ASN A 89 8.749 -0.732 -2.805 1.00 0.00 N ATOM 0 H ASN A 89 12.170 -2.335 -3.644 1.00 0.00 H new ATOM 0 HA ASN A 89 12.641 -0.823 -1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 89 10.690 0.505 -1.721 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.744 0.508 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.945 -1.059 -3.341 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.638 -0.475 -1.824 1.00 0.00 H new ATOM 1403 N PHE A 90 11.324 -3.565 -1.247 1.00 0.00 N ATOM 1404 CA PHE A 90 10.359 -4.613 -0.820 1.00 0.00 C ATOM 1405 C PHE A 90 10.144 -4.628 0.700 1.00 0.00 C ATOM 1406 O PHE A 90 9.081 -5.008 1.179 1.00 0.00 O ATOM 1407 CB PHE A 90 10.775 -6.022 -1.336 1.00 0.00 C ATOM 1408 CG PHE A 90 9.595 -7.001 -1.421 1.00 0.00 C ATOM 1409 CD1 PHE A 90 9.159 -7.688 -0.296 1.00 0.00 C ATOM 1410 CD2 PHE A 90 8.897 -7.191 -2.621 1.00 0.00 C ATOM 1411 CE1 PHE A 90 8.072 -8.542 -0.357 1.00 0.00 C ATOM 1412 CE2 PHE A 90 7.809 -8.050 -2.684 1.00 0.00 C ATOM 1413 CZ PHE A 90 7.395 -8.726 -1.549 1.00 0.00 C ATOM 0 H PHE A 90 12.190 -3.933 -1.641 1.00 0.00 H new ATOM 0 HA PHE A 90 9.404 -4.355 -1.277 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.229 -5.923 -2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 90 11.536 -6.435 -0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 90 9.677 -7.554 0.642 1.00 0.00 H new ATOM 0 HD2 PHE A 90 9.210 -6.662 -3.509 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.751 -9.067 0.530 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.285 -8.191 -3.618 1.00 0.00 H new ATOM 0 HZ PHE A 90 6.547 -9.394 -1.594 1.00 0.00 H new ATOM 1423 N LEU A 91 11.154 -4.182 1.438 1.00 0.00 N ATOM 1424 CA LEU A 91 11.115 -4.145 2.902 1.00 0.00 C ATOM 1425 C LEU A 91 10.285 -2.924 3.369 1.00 0.00 C ATOM 1426 O LEU A 91 9.843 -2.858 4.516 1.00 0.00 O ATOM 1427 CB LEU A 91 12.565 -4.130 3.469 1.00 0.00 C ATOM 1428 CG LEU A 91 13.454 -5.398 3.163 1.00 0.00 C ATOM 1429 CD1 LEU A 91 12.728 -6.696 3.565 1.00 0.00 C ATOM 1430 CD2 LEU A 91 13.916 -5.467 1.683 1.00 0.00 C ATOM 0 H LEU A 91 12.027 -3.834 1.041 1.00 0.00 H new ATOM 0 HA LEU A 91 10.627 -5.040 3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 91 13.076 -3.252 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.507 -4.007 4.550 1.00 0.00 H new ATOM 0 HG LEU A 91 14.353 -5.296 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 91 13.364 -7.553 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.508 -6.674 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.797 -6.781 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.523 -6.360 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 91 13.043 -5.508 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.506 -4.582 1.444 1.00 0.00 H new ATOM 1442 N ASP A 92 10.075 -1.970 2.438 1.00 0.00 N ATOM 1443 CA ASP A 92 9.183 -0.802 2.605 1.00 0.00 C ATOM 1444 C ASP A 92 7.854 -1.032 1.847 1.00 0.00 C ATOM 1445 O ASP A 92 7.792 -1.835 0.903 1.00 0.00 O ATOM 1446 CB ASP A 92 9.882 0.484 2.074 1.00 0.00 C ATOM 1447 CG ASP A 92 9.101 1.786 2.346 1.00 0.00 C ATOM 1448 OD1 ASP A 92 9.064 2.232 3.513 1.00 0.00 O ATOM 1449 OD2 ASP A 92 8.541 2.376 1.397 1.00 0.00 O ATOM 0 H ASP A 92 10.532 -1.991 1.526 1.00 0.00 H new ATOM 0 HA ASP A 92 8.966 -0.676 3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 92 10.868 0.563 2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.036 0.383 1.000 1.00 0.00 H new ATOM 1454 N LYS A 93 6.787 -0.342 2.279 1.00 0.00 N ATOM 1455 CA LYS A 93 5.507 -0.288 1.550 1.00 0.00 C ATOM 1456 C LYS A 93 5.325 1.149 1.021 1.00 0.00 C ATOM 1457 O LYS A 93 5.443 2.122 1.782 1.00 0.00 O ATOM 1458 CB LYS A 93 4.327 -0.725 2.470 1.00 0.00 C ATOM 1459 CG LYS A 93 4.091 0.175 3.701 1.00 0.00 C ATOM 1460 CD LYS A 93 2.994 -0.349 4.649 1.00 0.00 C ATOM 1461 CE LYS A 93 3.392 -1.658 5.338 1.00 0.00 C ATOM 1462 NZ LYS A 93 4.631 -1.515 6.157 1.00 0.00 N ATOM 0 H LYS A 93 6.786 0.196 3.146 1.00 0.00 H new ATOM 0 HA LYS A 93 5.515 -0.984 0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.413 -0.749 1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.512 -1.743 2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.024 0.269 4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.820 1.175 3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.781 0.406 5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.074 -0.504 4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.574 -1.993 5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.545 -2.430 4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.748 -2.355 6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.454 -1.423 5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.556 -0.668 6.755 1.00 0.00 H new ATOM 1476 N GLN A 94 5.080 1.281 -0.295 1.00 0.00 N ATOM 1477 CA GLN A 94 4.986 2.608 -0.959 1.00 0.00 C ATOM 1478 C GLN A 94 3.630 3.297 -0.700 1.00 0.00 C ATOM 1479 O GLN A 94 3.474 4.486 -0.988 1.00 0.00 O ATOM 1480 CB GLN A 94 5.278 2.522 -2.490 1.00 0.00 C ATOM 1481 CG GLN A 94 4.399 1.529 -3.301 1.00 0.00 C ATOM 1482 CD GLN A 94 5.001 0.126 -3.465 1.00 0.00 C ATOM 1483 OE1 GLN A 94 5.754 -0.361 -2.620 1.00 0.00 O ATOM 1484 NE2 GLN A 94 4.669 -0.530 -4.560 1.00 0.00 N ATOM 0 H GLN A 94 4.943 0.491 -0.925 1.00 0.00 H new ATOM 0 HA GLN A 94 5.762 3.226 -0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.156 3.517 -2.919 1.00 0.00 H new ATOM 0 HB3 GLN A 94 6.323 2.243 -2.624 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.430 1.439 -2.810 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.218 1.950 -4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.043 -0.101 -5.242 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.038 -1.467 -4.725 1.00 0.00 H new ATOM 1493 N ASN A 95 2.653 2.547 -0.168 1.00 0.00 N ATOM 1494 CA ASN A 95 1.352 3.095 0.277 1.00 0.00 C ATOM 1495 C ASN A 95 1.240 2.886 1.796 1.00 0.00 C ATOM 1496 O ASN A 95 1.437 1.764 2.279 1.00 0.00 O ATOM 1497 CB ASN A 95 0.171 2.390 -0.446 1.00 0.00 C ATOM 1498 CG ASN A 95 0.232 2.496 -1.973 1.00 0.00 C ATOM 1499 OD1 ASN A 95 0.865 1.671 -2.641 1.00 0.00 O ATOM 1500 ND2 ASN A 95 -0.438 3.492 -2.534 1.00 0.00 N ATOM 0 H ASN A 95 2.738 1.540 -0.032 1.00 0.00 H new ATOM 0 HA ASN A 95 1.301 4.156 0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.160 1.337 -0.164 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.767 2.823 -0.098 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.442 3.596 -3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.950 4.155 -1.951 1.00 0.00 H new ATOM 1507 N ARG A 96 0.941 3.969 2.542 1.00 0.00 N ATOM 1508 CA ARG A 96 0.861 3.957 4.017 1.00 0.00 C ATOM 1509 C ARG A 96 -0.432 4.667 4.469 1.00 0.00 C ATOM 1510 O ARG A 96 -1.495 4.046 4.540 1.00 0.00 O ATOM 1511 CB ARG A 96 2.109 4.647 4.644 1.00 0.00 C ATOM 1512 CG ARG A 96 3.485 4.051 4.295 1.00 0.00 C ATOM 1513 CD ARG A 96 4.623 4.972 4.769 1.00 0.00 C ATOM 1514 NE ARG A 96 4.592 6.282 4.087 1.00 0.00 N ATOM 1515 CZ ARG A 96 5.355 7.342 4.400 1.00 0.00 C ATOM 1516 NH1 ARG A 96 6.237 7.287 5.409 1.00 0.00 N ATOM 1517 NH2 ARG A 96 5.225 8.467 3.707 1.00 0.00 N ATOM 0 H ARG A 96 0.747 4.884 2.134 1.00 0.00 H new ATOM 0 HA ARG A 96 0.841 2.923 4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.106 5.694 4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.997 4.630 5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.589 3.071 4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.558 3.902 3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.544 5.121 5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.582 4.489 4.583 1.00 0.00 H new ATOM 0 HE ARG A 96 3.936 6.391 3.313 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.337 6.430 5.953 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.808 8.102 5.632 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.550 8.521 2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.800 9.277 3.937 1.00 0.00 H new ATOM 1531 N GLU A 97 -0.338 5.987 4.750 1.00 0.00 N ATOM 1532 CA GLU A 97 -1.464 6.805 5.194 1.00 0.00 C ATOM 1533 C GLU A 97 -1.859 7.736 4.055 1.00 0.00 C ATOM 1534 O GLU A 97 -1.146 8.703 3.758 1.00 0.00 O ATOM 1535 CB GLU A 97 -1.095 7.637 6.468 1.00 0.00 C ATOM 1536 CG GLU A 97 -1.002 6.841 7.792 1.00 0.00 C ATOM 1537 CD GLU A 97 0.142 5.807 7.836 1.00 0.00 C ATOM 1538 OE1 GLU A 97 1.321 6.208 7.744 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -0.131 4.590 7.975 1.00 0.00 O ATOM 0 H GLU A 97 0.535 6.509 4.671 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.298 6.155 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.137 8.127 6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.838 8.425 6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.872 7.543 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.948 6.325 7.959 1.00 0.00 H new ATOM 1546 N GLU A 98 -2.969 7.418 3.395 1.00 0.00 N ATOM 1547 CA GLU A 98 -3.557 8.249 2.341 1.00 0.00 C ATOM 1548 C GLU A 98 -4.878 8.844 2.860 1.00 0.00 C ATOM 1549 O GLU A 98 -5.658 8.159 3.510 1.00 0.00 O ATOM 1550 CB GLU A 98 -3.750 7.419 1.032 1.00 0.00 C ATOM 1551 CG GLU A 98 -2.479 7.292 0.135 1.00 0.00 C ATOM 1552 CD GLU A 98 -1.224 6.725 0.838 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -1.223 5.538 1.210 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -0.230 7.470 1.008 1.00 0.00 O ATOM 0 H GLU A 98 -3.495 6.564 3.578 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.887 9.071 2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.087 6.418 1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.546 7.876 0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.718 6.653 -0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.237 8.277 -0.264 1.00 0.00 H new ATOM 1561 N THR A 99 -5.090 10.134 2.609 1.00 0.00 N ATOM 1562 CA THR A 99 -6.254 10.869 3.100 1.00 0.00 C ATOM 1563 C THR A 99 -7.037 11.456 1.927 1.00 0.00 C ATOM 1564 O THR A 99 -6.470 12.204 1.112 1.00 0.00 O ATOM 1565 CB THR A 99 -5.790 12.011 4.059 1.00 0.00 C ATOM 1566 OG1 THR A 99 -5.034 11.440 5.135 1.00 0.00 O ATOM 1567 CG2 THR A 99 -6.958 12.836 4.630 1.00 0.00 C ATOM 0 H THR A 99 -4.452 10.704 2.054 1.00 0.00 H new ATOM 0 HA THR A 99 -6.903 10.185 3.647 1.00 0.00 H new ATOM 0 HB THR A 99 -5.179 12.697 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.738 12.152 5.740 1.00 0.00 H new ATOM 0 HG21 THR A 99 -6.568 13.612 5.288 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.511 13.298 3.812 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.623 12.183 5.195 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.322 11.092 1.819 1.00 0.00 N ATOM 1576 CA VAL A 100 -9.225 11.737 0.856 1.00 0.00 C ATOM 1577 C VAL A 100 -9.758 13.039 1.488 1.00 0.00 C ATOM 1578 O VAL A 100 -9.997 13.094 2.706 1.00 0.00 O ATOM 1579 CB VAL A 100 -10.395 10.802 0.359 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -9.910 9.349 0.147 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -11.633 10.852 1.256 1.00 0.00 C ATOM 0 H VAL A 100 -8.757 10.361 2.381 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.657 11.962 -0.046 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.706 11.199 -0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.742 8.734 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.117 9.336 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.528 8.952 1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.398 10.186 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.365 10.534 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.019 11.871 1.287 1.00 0.00 H new ATOM 1591 N ILE A 101 -9.894 14.086 0.666 1.00 0.00 N ATOM 1592 CA ILE A 101 -10.246 15.440 1.137 1.00 0.00 C ATOM 1593 C ILE A 101 -11.601 15.881 0.568 1.00 0.00 C ATOM 1594 O ILE A 101 -11.724 16.135 -0.628 1.00 0.00 O ATOM 1595 CB ILE A 101 -9.105 16.465 0.758 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -7.781 16.132 1.526 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -9.538 17.928 1.000 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -7.876 16.214 3.051 1.00 0.00 C ATOM 0 H ILE A 101 -9.764 14.024 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 101 -10.337 15.418 2.223 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.916 16.362 -0.310 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -7.463 15.126 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.002 16.816 1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.723 18.599 0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -10.414 18.154 0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -9.783 18.066 2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.909 15.966 3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.159 17.225 3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.627 15.509 3.407 1.00 0.00 H new ATOM 1610 N TYR A 102 -12.617 15.980 1.440 1.00 0.00 N ATOM 1611 CA TYR A 102 -13.948 16.441 1.053 1.00 0.00 C ATOM 1612 C TYR A 102 -13.963 17.960 1.125 1.00 0.00 C ATOM 1613 O TYR A 102 -14.130 18.565 2.190 1.00 0.00 O ATOM 1614 CB TYR A 102 -15.044 15.830 1.952 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.031 14.301 1.979 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -15.562 13.555 0.927 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -14.477 13.609 3.051 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -15.532 12.178 0.948 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -14.452 12.237 3.075 1.00 0.00 C ATOM 1620 CZ TYR A 102 -14.978 11.526 2.024 1.00 0.00 C ATOM 1621 OH TYR A 102 -14.928 10.160 2.045 1.00 0.00 O ATOM 0 H TYR A 102 -12.533 15.742 2.428 1.00 0.00 H new ATOM 0 HA TYR A 102 -14.165 16.114 0.036 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -14.919 16.204 2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -16.019 16.171 1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -16.003 14.065 0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -14.059 14.161 3.880 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -15.942 11.614 0.123 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -14.020 11.718 3.918 1.00 0.00 H new ATOM 0 HH TYR A 102 -14.121 9.869 2.518 1.00 0.00 H new ATOM 1631 N SER A 103 -13.743 18.554 -0.020 1.00 0.00 N ATOM 1632 CA SER A 103 -13.699 19.993 -0.194 1.00 0.00 C ATOM 1633 C SER A 103 -15.053 20.417 -0.750 1.00 0.00 C ATOM 1634 O SER A 103 -15.594 19.697 -1.594 1.00 0.00 O ATOM 1635 CB SER A 103 -12.542 20.327 -1.158 1.00 0.00 C ATOM 1636 OG SER A 103 -12.610 19.530 -2.334 1.00 0.00 O ATOM 0 H SER A 103 -13.584 18.039 -0.886 1.00 0.00 H new ATOM 0 HA SER A 103 -13.518 20.527 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 103 -12.582 21.382 -1.427 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.588 20.162 -0.657 1.00 0.00 H new ATOM 0 HG SER A 103 -11.867 19.762 -2.930 1.00 0.00 H new ATOM 1642 N ALA A 104 -15.602 21.560 -0.280 1.00 0.00 N ATOM 1643 CA ALA A 104 -16.936 22.044 -0.702 1.00 0.00 C ATOM 1644 C ALA A 104 -17.052 22.058 -2.236 1.00 0.00 C ATOM 1645 O ALA A 104 -16.083 22.377 -2.917 1.00 0.00 O ATOM 1646 CB ALA A 104 -17.237 23.422 -0.099 1.00 0.00 C ATOM 0 H ALA A 104 -15.138 22.167 0.396 1.00 0.00 H new ATOM 0 HA ALA A 104 -17.687 21.352 -0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -18.223 23.754 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -17.218 23.355 0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -16.485 24.137 -0.432 1.00 0.00 H new ATOM 1652 N ASN A 105 -18.242 21.698 -2.740 1.00 0.00 N ATOM 1653 CA ASN A 105 -18.484 21.278 -4.150 1.00 0.00 C ATOM 1654 C ASN A 105 -18.132 22.384 -5.182 1.00 0.00 C ATOM 1655 O ASN A 105 -17.604 23.444 -4.828 1.00 0.00 O ATOM 1656 CB ASN A 105 -19.989 20.825 -4.256 1.00 0.00 C ATOM 1657 CG ASN A 105 -20.277 19.669 -5.236 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -19.715 19.584 -6.325 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -21.162 18.757 -4.843 1.00 0.00 N ATOM 0 H ASN A 105 -19.090 21.687 -2.174 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.820 20.450 -4.401 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -20.330 20.528 -3.264 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -20.587 21.686 -4.554 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -21.385 17.968 -5.450 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -21.617 18.846 -3.935 1.00 0.00 H new