USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 569 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 67 CYS SG : rot -129:sc= -3.53! USER MOD Set 1.2: A 72 MET CE :methyl -167:sc= -0.132 (180deg=-0.719) USER MOD Set 2.1: A 48 GLN : amide:sc= -5.45! C(o=-5.5!,f=-7.5!) USER MOD Set 2.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 34 SER OG : rot -178:sc= 1.69! USER MOD Set 3.2: A 39 ASN :FLIP amide:sc= -7.11! C(o=-14!,f=-6.7!) USER MOD Set 3.3: A 41 TYR OH : rot -77:sc= -1.26! USER MOD Set 4.1: A 19 TYR OH : rot 0:sc= -2.22 USER MOD Set 4.2: A 32 LYS NZ :NH3+ 152:sc= -0.349 (180deg=-1.35!) USER MOD Set 5.1: A 18 HIS : no HE2:sc= -4.41! C(o=-5.6!,f=-5.1!) USER MOD Set 5.2: A 23 SER OG : rot -165:sc= -1.15 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0931 (180deg=-0.52) USER MOD Single : A 2 LYS NZ :NH3+ -137:sc= -0.26 (180deg=-1.29!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 129:sc= 0.131 USER MOD Single : A 11 ASN : amide:sc= -2.96! C(o=-3!,f=-6.9!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 147:sc= -0.405 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc=-0.00226 X(o=-0.0023,f=-0.11) USER MOD Single : A 42 MET CE :methyl -177:sc=-0.00391 (180deg=-0.0416) USER MOD Single : A 46 THR OG1 : rot -56:sc= 0.104 USER MOD Single : A 47 ASN :FLIP amide:sc= -2.26 F(o=-3.4!,f=-2.3) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.232) USER MOD Single : A 54 ASN : amide:sc= -3.06! C(o=-3.1!,f=-3.7!) USER MOD Single : A 57 LYS NZ :NH3+ -110:sc= -2.21 (180deg=-4.83!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0726 USER MOD Single : A 60 GLN :FLIP amide:sc= 0.823 F(o=-0.13,f=0.82) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 169:sc= -5.06! USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -150:sc= -0.14 (180deg=-0.963) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.268 -12.555 -24.755 1.00 0.00 N ATOM 2 CA MET A 1 -4.710 -13.908 -24.523 1.00 0.00 C ATOM 3 C MET A 1 -4.538 -14.152 -23.028 1.00 0.00 C ATOM 4 O MET A 1 -4.366 -15.274 -22.596 1.00 0.00 O ATOM 5 CB MET A 1 -3.332 -14.029 -25.201 1.00 0.00 C ATOM 6 CG MET A 1 -3.409 -13.431 -26.609 1.00 0.00 C ATOM 7 SD MET A 1 -4.769 -13.975 -27.671 1.00 0.00 S ATOM 8 CE MET A 1 -4.303 -13.025 -29.141 1.00 0.00 C ATOM 0 H1 MET A 1 -5.587 -12.475 -25.742 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.074 -12.398 -24.117 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.535 -11.841 -24.569 1.00 0.00 H new ATOM 0 HA MET A 1 -5.397 -14.643 -24.941 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.577 -13.508 -24.612 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.030 -15.075 -25.253 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.470 -12.347 -26.512 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.473 -13.653 -27.121 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.021 -13.214 -29.939 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.298 -11.962 -28.901 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.308 -13.327 -29.469 1.00 0.00 H new ATOM 20 N LYS A 2 -4.588 -13.093 -22.265 1.00 0.00 N ATOM 21 CA LYS A 2 -4.430 -13.240 -20.795 1.00 0.00 C ATOM 22 C LYS A 2 -5.724 -13.726 -20.152 1.00 0.00 C ATOM 23 O LYS A 2 -6.786 -13.193 -20.408 1.00 0.00 O ATOM 24 CB LYS A 2 -4.074 -11.863 -20.209 1.00 0.00 C ATOM 25 CG LYS A 2 -3.689 -12.025 -18.729 1.00 0.00 C ATOM 26 CD LYS A 2 -3.439 -10.635 -18.100 1.00 0.00 C ATOM 27 CE LYS A 2 -2.001 -10.184 -18.393 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.025 -11.170 -17.850 1.00 0.00 N ATOM 0 H LYS A 2 -4.731 -12.139 -22.596 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.647 -13.971 -20.593 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.248 -11.421 -20.765 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.922 -11.184 -20.304 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.484 -12.541 -18.191 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.794 -12.641 -18.641 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.147 -9.910 -18.503 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.605 -10.677 -17.023 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.859 -10.077 -19.468 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.823 -9.205 -17.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.242 -10.665 -17.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.500 -11.783 -17.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.651 -11.752 -18.627 1.00 0.00 H new ATOM 42 N GLU A 3 -5.607 -14.739 -19.318 1.00 0.00 N ATOM 43 CA GLU A 3 -6.817 -15.296 -18.628 1.00 0.00 C ATOM 44 C GLU A 3 -6.764 -14.994 -17.135 1.00 0.00 C ATOM 45 O GLU A 3 -5.708 -14.752 -16.596 1.00 0.00 O ATOM 46 CB GLU A 3 -6.817 -16.820 -18.820 1.00 0.00 C ATOM 47 CG GLU A 3 -6.653 -17.136 -20.309 1.00 0.00 C ATOM 48 CD GLU A 3 -6.865 -18.635 -20.535 1.00 0.00 C ATOM 49 OE1 GLU A 3 -7.936 -19.091 -20.168 1.00 0.00 O ATOM 50 OE2 GLU A 3 -5.945 -19.238 -21.062 1.00 0.00 O ATOM 0 H GLU A 3 -4.728 -15.201 -19.087 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.715 -14.845 -19.049 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.006 -17.271 -18.248 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.747 -17.246 -18.445 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.371 -16.563 -20.895 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.659 -16.843 -20.647 1.00 0.00 H new ATOM 57 N THR A 4 -7.916 -15.016 -16.502 1.00 0.00 N ATOM 58 CA THR A 4 -7.972 -14.733 -15.033 1.00 0.00 C ATOM 59 C THR A 4 -7.375 -13.368 -14.706 1.00 0.00 C ATOM 60 O THR A 4 -6.283 -13.052 -15.113 1.00 0.00 O ATOM 61 CB THR A 4 -7.166 -15.815 -14.278 1.00 0.00 C ATOM 62 OG1 THR A 4 -7.828 -17.032 -14.550 1.00 0.00 O ATOM 63 CG2 THR A 4 -7.296 -15.640 -12.752 1.00 0.00 C ATOM 0 H THR A 4 -8.815 -15.217 -16.939 1.00 0.00 H new ATOM 0 HA THR A 4 -9.018 -14.740 -14.726 1.00 0.00 H new ATOM 0 HB THR A 4 -6.119 -15.768 -14.579 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.362 -17.766 -14.098 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.719 -16.414 -12.247 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.917 -14.659 -12.465 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.344 -15.722 -12.464 1.00 0.00 H new ATOM 71 N ARG A 5 -8.119 -12.569 -13.986 1.00 0.00 N ATOM 72 CA ARG A 5 -7.601 -11.220 -13.621 1.00 0.00 C ATOM 73 C ARG A 5 -6.890 -11.310 -12.296 1.00 0.00 C ATOM 74 O ARG A 5 -6.903 -12.341 -11.656 1.00 0.00 O ATOM 75 CB ARG A 5 -8.779 -10.241 -13.498 1.00 0.00 C ATOM 76 CG ARG A 5 -9.763 -10.489 -14.646 1.00 0.00 C ATOM 77 CD ARG A 5 -9.023 -10.373 -15.983 1.00 0.00 C ATOM 78 NE ARG A 5 -10.021 -10.195 -17.075 1.00 0.00 N ATOM 79 CZ ARG A 5 -9.636 -9.710 -18.224 1.00 0.00 C ATOM 80 NH1 ARG A 5 -8.740 -10.359 -18.915 1.00 0.00 N ATOM 81 NH2 ARG A 5 -10.159 -8.590 -18.642 1.00 0.00 N ATOM 0 H ARG A 5 -9.052 -12.790 -13.639 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.912 -10.868 -14.388 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.280 -10.375 -12.539 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.418 -9.213 -13.529 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.210 -11.478 -14.550 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.578 -9.766 -14.604 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -8.335 -9.528 -15.960 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -8.425 -11.267 -16.161 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.997 -10.450 -16.926 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.352 -11.231 -18.555 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.428 -9.995 -19.815 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.856 -8.109 -18.073 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.871 -8.195 -19.537 1.00 0.00 H new ATOM 95 N TYR A 6 -6.291 -10.234 -11.889 1.00 0.00 N ATOM 96 CA TYR A 6 -5.563 -10.253 -10.590 1.00 0.00 C ATOM 97 C TYR A 6 -5.478 -8.851 -9.981 1.00 0.00 C ATOM 98 O TYR A 6 -5.934 -7.893 -10.572 1.00 0.00 O ATOM 99 CB TYR A 6 -4.135 -10.774 -10.861 1.00 0.00 C ATOM 100 CG TYR A 6 -4.162 -11.853 -11.953 1.00 0.00 C ATOM 101 CD1 TYR A 6 -4.430 -13.169 -11.634 1.00 0.00 C ATOM 102 CD2 TYR A 6 -3.882 -11.530 -13.266 1.00 0.00 C ATOM 103 CE1 TYR A 6 -4.414 -14.143 -12.607 1.00 0.00 C ATOM 104 CE2 TYR A 6 -3.861 -12.507 -14.237 1.00 0.00 C ATOM 105 CZ TYR A 6 -4.125 -13.820 -13.915 1.00 0.00 C ATOM 106 OH TYR A 6 -4.078 -14.799 -14.885 1.00 0.00 O ATOM 0 H TYR A 6 -6.271 -9.347 -12.392 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.095 -10.893 -9.886 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.492 -9.950 -11.170 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.710 -11.184 -9.945 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.654 -13.437 -10.612 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.678 -10.504 -13.534 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.630 -15.168 -12.343 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.636 -12.241 -15.259 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.639 -14.535 -15.644 1.00 0.00 H new ATOM 116 N CYS A 7 -4.891 -8.751 -8.802 1.00 0.00 N ATOM 117 CA CYS A 7 -4.788 -7.426 -8.181 1.00 0.00 C ATOM 118 C CYS A 7 -4.148 -6.442 -9.128 1.00 0.00 C ATOM 119 O CYS A 7 -2.973 -6.525 -9.427 1.00 0.00 O ATOM 120 CB CYS A 7 -3.947 -7.494 -6.882 1.00 0.00 C ATOM 121 SG CYS A 7 -3.789 -5.934 -5.950 1.00 0.00 S ATOM 0 H CYS A 7 -4.493 -9.525 -8.270 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.798 -7.094 -7.942 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.389 -8.243 -6.225 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.947 -7.844 -7.138 1.00 0.00 H new ATOM 126 N ALA A 8 -4.937 -5.525 -9.583 1.00 0.00 N ATOM 127 CA ALA A 8 -4.421 -4.512 -10.515 1.00 0.00 C ATOM 128 C ALA A 8 -3.350 -3.676 -9.841 1.00 0.00 C ATOM 129 O ALA A 8 -2.791 -2.780 -10.444 1.00 0.00 O ATOM 130 CB ALA A 8 -5.588 -3.584 -10.871 1.00 0.00 C ATOM 0 H ALA A 8 -5.925 -5.435 -9.346 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.999 -4.998 -11.395 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.244 -2.816 -11.563 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.384 -4.163 -11.338 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.967 -3.112 -9.965 1.00 0.00 H new ATOM 136 N VAL A 9 -3.081 -3.986 -8.587 1.00 0.00 N ATOM 137 CA VAL A 9 -2.031 -3.203 -7.828 1.00 0.00 C ATOM 138 C VAL A 9 -0.817 -3.991 -7.285 1.00 0.00 C ATOM 139 O VAL A 9 0.293 -3.543 -7.458 1.00 0.00 O ATOM 140 CB VAL A 9 -2.719 -2.583 -6.604 1.00 0.00 C ATOM 141 CG1 VAL A 9 -1.697 -1.750 -5.808 1.00 0.00 C ATOM 142 CG2 VAL A 9 -3.858 -1.692 -7.055 1.00 0.00 C ATOM 0 H VAL A 9 -3.533 -4.734 -8.061 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.629 -2.500 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.113 -3.377 -5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.185 -1.309 -4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.881 -2.393 -5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.301 -0.957 -6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.344 -1.254 -6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.468 -0.897 -7.691 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.582 -2.283 -7.615 1.00 0.00 H new ATOM 152 N CYS A 10 -1.010 -5.135 -6.645 1.00 0.00 N ATOM 153 CA CYS A 10 0.230 -5.846 -6.123 1.00 0.00 C ATOM 154 C CYS A 10 0.179 -7.375 -5.849 1.00 0.00 C ATOM 155 O CYS A 10 1.069 -8.091 -6.264 1.00 0.00 O ATOM 156 CB CYS A 10 0.455 -5.230 -4.746 1.00 0.00 C ATOM 157 SG CYS A 10 -0.678 -5.795 -3.424 1.00 0.00 S ATOM 0 H CYS A 10 -1.907 -5.587 -6.467 1.00 0.00 H new ATOM 0 HA CYS A 10 0.977 -5.726 -6.908 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.478 -5.443 -4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.368 -4.147 -4.835 1.00 0.00 H new ATOM 162 N ASN A 11 -0.830 -7.850 -5.170 1.00 0.00 N ATOM 163 CA ASN A 11 -0.882 -9.285 -4.884 1.00 0.00 C ATOM 164 C ASN A 11 -1.072 -10.140 -6.103 1.00 0.00 C ATOM 165 O ASN A 11 -0.156 -10.363 -6.870 1.00 0.00 O ATOM 166 CB ASN A 11 -2.043 -9.517 -3.888 1.00 0.00 C ATOM 167 CG ASN A 11 -2.203 -11.017 -3.621 1.00 0.00 C ATOM 168 OD1 ASN A 11 -1.450 -11.832 -4.117 1.00 0.00 O ATOM 169 ND2 ASN A 11 -3.171 -11.422 -2.845 1.00 0.00 N ATOM 0 H ASN A 11 -1.609 -7.299 -4.809 1.00 0.00 H new ATOM 0 HA ASN A 11 0.080 -9.583 -4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.844 -8.991 -2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.969 -9.109 -4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.292 -12.417 -2.658 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.806 -10.743 -2.426 1.00 0.00 H new ATOM 176 N ASP A 12 -2.247 -10.583 -6.259 1.00 0.00 N ATOM 177 CA ASP A 12 -2.562 -11.437 -7.407 1.00 0.00 C ATOM 178 C ASP A 12 -4.057 -11.692 -7.450 1.00 0.00 C ATOM 179 O ASP A 12 -4.836 -10.777 -7.312 1.00 0.00 O ATOM 180 CB ASP A 12 -1.826 -12.783 -7.226 1.00 0.00 C ATOM 181 CG ASP A 12 -1.817 -13.550 -8.551 1.00 0.00 C ATOM 182 OD1 ASP A 12 -2.294 -12.977 -9.513 1.00 0.00 O ATOM 183 OD2 ASP A 12 -1.329 -14.668 -8.525 1.00 0.00 O ATOM 0 H ASP A 12 -3.029 -10.392 -5.632 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.250 -10.953 -8.332 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.804 -12.607 -6.890 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.318 -13.376 -6.455 1.00 0.00 H new ATOM 188 N TYR A 13 -4.450 -12.935 -7.609 1.00 0.00 N ATOM 189 CA TYR A 13 -5.906 -13.212 -7.655 1.00 0.00 C ATOM 190 C TYR A 13 -6.627 -12.463 -6.538 1.00 0.00 C ATOM 191 O TYR A 13 -6.552 -12.824 -5.380 1.00 0.00 O ATOM 192 CB TYR A 13 -6.158 -14.709 -7.483 1.00 0.00 C ATOM 193 CG TYR A 13 -5.124 -15.525 -8.275 1.00 0.00 C ATOM 194 CD1 TYR A 13 -3.924 -15.878 -7.691 1.00 0.00 C ATOM 195 CD2 TYR A 13 -5.400 -15.974 -9.558 1.00 0.00 C ATOM 196 CE1 TYR A 13 -3.019 -16.669 -8.369 1.00 0.00 C ATOM 197 CE2 TYR A 13 -4.495 -16.768 -10.231 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.297 -17.120 -9.644 1.00 0.00 C ATOM 199 OH TYR A 13 -2.392 -17.911 -10.320 1.00 0.00 O ATOM 0 H TYR A 13 -3.837 -13.745 -7.706 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.286 -12.879 -8.621 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.106 -14.973 -6.427 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.163 -14.956 -7.824 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.691 -15.532 -6.695 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.330 -15.700 -10.033 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.085 -16.938 -7.898 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.726 -17.117 -11.226 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.751 -18.137 -11.203 1.00 0.00 H new ATOM 209 N ALA A 14 -7.304 -11.444 -6.923 1.00 0.00 N ATOM 210 CA ALA A 14 -8.051 -10.627 -5.936 1.00 0.00 C ATOM 211 C ALA A 14 -9.168 -11.449 -5.302 1.00 0.00 C ATOM 212 O ALA A 14 -9.837 -12.213 -5.970 1.00 0.00 O ATOM 213 CB ALA A 14 -8.642 -9.431 -6.687 1.00 0.00 C ATOM 0 H ALA A 14 -7.379 -11.129 -7.890 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.388 -10.294 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.201 -8.805 -5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.837 -8.848 -7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.310 -9.788 -7.471 1.00 0.00 H new ATOM 219 N SER A 15 -9.348 -11.277 -4.023 1.00 0.00 N ATOM 220 CA SER A 15 -10.413 -12.041 -3.322 1.00 0.00 C ATOM 221 C SER A 15 -11.798 -11.470 -3.605 1.00 0.00 C ATOM 222 O SER A 15 -12.777 -11.913 -3.037 1.00 0.00 O ATOM 223 CB SER A 15 -10.147 -11.961 -1.811 1.00 0.00 C ATOM 224 OG SER A 15 -10.543 -10.646 -1.456 1.00 0.00 O ATOM 0 H SER A 15 -8.806 -10.643 -3.436 1.00 0.00 H new ATOM 0 HA SER A 15 -10.392 -13.071 -3.679 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.721 -12.710 -1.266 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.096 -12.136 -1.582 1.00 0.00 H new ATOM 0 HG SER A 15 -10.903 -10.648 -0.544 1.00 0.00 H new ATOM 230 N GLY A 16 -11.862 -10.501 -4.472 1.00 0.00 N ATOM 231 CA GLY A 16 -13.190 -9.902 -4.790 1.00 0.00 C ATOM 232 C GLY A 16 -13.023 -8.556 -5.489 1.00 0.00 C ATOM 233 O GLY A 16 -11.990 -7.923 -5.392 1.00 0.00 O ATOM 0 H GLY A 16 -11.066 -10.101 -4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.757 -10.580 -5.428 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.765 -9.772 -3.873 1.00 0.00 H new ATOM 237 N TYR A 17 -14.049 -8.148 -6.183 1.00 0.00 N ATOM 238 CA TYR A 17 -13.980 -6.852 -6.898 1.00 0.00 C ATOM 239 C TYR A 17 -14.100 -5.686 -5.910 1.00 0.00 C ATOM 240 O TYR A 17 -14.772 -5.788 -4.902 1.00 0.00 O ATOM 241 CB TYR A 17 -15.169 -6.803 -7.917 1.00 0.00 C ATOM 242 CG TYR A 17 -14.679 -6.382 -9.318 1.00 0.00 C ATOM 243 CD1 TYR A 17 -14.250 -7.325 -10.225 1.00 0.00 C ATOM 244 CD2 TYR A 17 -14.737 -5.062 -9.717 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.901 -6.954 -11.507 1.00 0.00 C ATOM 246 CE2 TYR A 17 -14.376 -4.705 -11.006 1.00 0.00 C ATOM 247 CZ TYR A 17 -13.959 -5.648 -11.899 1.00 0.00 C ATOM 248 OH TYR A 17 -13.602 -5.286 -13.182 1.00 0.00 O ATOM 0 H TYR A 17 -14.927 -8.657 -6.283 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.024 -6.762 -7.414 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.645 -7.782 -7.973 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -15.925 -6.101 -7.566 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -14.186 -8.362 -9.931 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -15.065 -4.304 -9.021 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -13.577 -7.707 -12.210 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -14.425 -3.669 -11.307 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.705 -4.317 -13.289 1.00 0.00 H new ATOM 258 N HIS A 18 -13.443 -4.601 -6.224 1.00 0.00 N ATOM 259 CA HIS A 18 -13.499 -3.409 -5.326 1.00 0.00 C ATOM 260 C HIS A 18 -13.522 -2.141 -6.156 1.00 0.00 C ATOM 261 O HIS A 18 -12.784 -2.015 -7.106 1.00 0.00 O ATOM 262 CB HIS A 18 -12.247 -3.396 -4.440 1.00 0.00 C ATOM 263 CG HIS A 18 -12.168 -4.705 -3.651 1.00 0.00 C ATOM 264 ND1 HIS A 18 -11.157 -5.434 -3.574 1.00 0.00 N ATOM 265 CD2 HIS A 18 -13.134 -5.335 -2.889 1.00 0.00 C ATOM 266 CE1 HIS A 18 -11.372 -6.453 -2.851 1.00 0.00 C ATOM 267 NE2 HIS A 18 -12.614 -6.479 -2.366 1.00 0.00 N ATOM 0 H HIS A 18 -12.871 -4.488 -7.061 1.00 0.00 H new ATOM 0 HA HIS A 18 -14.399 -3.459 -4.713 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.355 -3.275 -5.054 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.281 -2.548 -3.756 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -10.269 -5.235 -4.035 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -14.141 -4.977 -2.733 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.633 -7.214 -2.650 1.00 0.00 H new ATOM 275 N TYR A 19 -14.377 -1.229 -5.772 1.00 0.00 N ATOM 276 CA TYR A 19 -14.497 0.064 -6.508 1.00 0.00 C ATOM 277 C TYR A 19 -14.808 -0.201 -7.978 1.00 0.00 C ATOM 278 O TYR A 19 -15.928 -0.023 -8.411 1.00 0.00 O ATOM 279 CB TYR A 19 -13.150 0.858 -6.400 1.00 0.00 C ATOM 280 CG TYR A 19 -12.943 1.447 -4.973 1.00 0.00 C ATOM 281 CD1 TYR A 19 -14.023 1.855 -4.174 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.661 1.464 -4.406 1.00 0.00 C ATOM 283 CE1 TYR A 19 -13.828 2.232 -2.872 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.503 1.850 -3.084 1.00 0.00 C ATOM 285 CZ TYR A 19 -12.580 2.234 -2.320 1.00 0.00 C ATOM 286 OH TYR A 19 -12.406 2.617 -1.015 1.00 0.00 O ATOM 0 H TYR A 19 -15.003 -1.326 -4.972 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.304 0.649 -6.068 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.318 0.198 -6.646 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.144 1.666 -7.132 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.019 1.872 -4.591 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.802 1.178 -4.995 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -14.675 2.532 -2.273 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.516 1.849 -2.646 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.273 2.857 -0.626 1.00 0.00 H new ATOM 296 N GLY A 20 -13.824 -0.619 -8.725 1.00 0.00 N ATOM 297 CA GLY A 20 -14.082 -0.892 -10.164 1.00 0.00 C ATOM 298 C GLY A 20 -13.004 -1.767 -10.763 1.00 0.00 C ATOM 299 O GLY A 20 -12.556 -1.512 -11.852 1.00 0.00 O ATOM 0 H GLY A 20 -12.868 -0.781 -8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.051 -1.379 -10.275 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.134 0.050 -10.711 1.00 0.00 H new ATOM 303 N VAL A 21 -12.642 -2.823 -10.051 1.00 0.00 N ATOM 304 CA VAL A 21 -11.587 -3.742 -10.574 1.00 0.00 C ATOM 305 C VAL A 21 -11.432 -4.978 -9.683 1.00 0.00 C ATOM 306 O VAL A 21 -12.044 -5.083 -8.644 1.00 0.00 O ATOM 307 CB VAL A 21 -10.199 -3.023 -10.498 1.00 0.00 C ATOM 308 CG1 VAL A 21 -10.003 -1.999 -11.645 1.00 0.00 C ATOM 309 CG2 VAL A 21 -10.141 -2.318 -9.146 1.00 0.00 C ATOM 0 H VAL A 21 -13.032 -3.077 -9.143 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.878 -4.019 -11.587 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.400 -3.757 -10.606 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.025 -1.527 -11.548 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.065 -2.512 -12.605 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.781 -1.237 -11.590 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.187 -1.800 -9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.955 -1.596 -9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.240 -3.053 -8.348 1.00 0.00 H new ATOM 319 N TRP A 22 -10.589 -5.887 -10.130 1.00 0.00 N ATOM 320 CA TRP A 22 -10.339 -7.129 -9.346 1.00 0.00 C ATOM 321 C TRP A 22 -9.154 -6.820 -8.418 1.00 0.00 C ATOM 322 O TRP A 22 -8.037 -7.186 -8.728 1.00 0.00 O ATOM 323 CB TRP A 22 -9.874 -8.251 -10.306 1.00 0.00 C ATOM 324 CG TRP A 22 -11.048 -8.889 -11.032 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.270 -8.742 -12.317 1.00 0.00 C ATOM 326 CD2 TRP A 22 -11.893 -9.736 -10.494 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.308 -9.569 -12.560 1.00 0.00 N ATOM 328 CE2 TRP A 22 -12.765 -10.240 -11.441 1.00 0.00 C ATOM 329 CE3 TRP A 22 -11.992 -10.146 -9.181 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -13.732 -11.151 -11.073 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -12.961 -11.059 -8.814 1.00 0.00 C ATOM 332 CH2 TRP A 22 -13.830 -11.560 -9.759 1.00 0.00 C ATOM 0 H TRP A 22 -10.068 -5.815 -11.004 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.236 -7.437 -8.808 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.175 -7.841 -11.034 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.336 -9.013 -9.742 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.745 -8.108 -13.016 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.719 -9.688 -13.486 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -11.312 -9.753 -8.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -14.413 -11.545 -11.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -13.038 -11.381 -7.786 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -14.588 -12.273 -9.471 1.00 0.00 H new ATOM 343 N SER A 23 -9.401 -6.154 -7.298 1.00 0.00 N ATOM 344 CA SER A 23 -8.253 -5.822 -6.362 1.00 0.00 C ATOM 345 C SER A 23 -8.273 -6.612 -5.079 1.00 0.00 C ATOM 346 O SER A 23 -9.301 -7.066 -4.618 1.00 0.00 O ATOM 347 CB SER A 23 -8.309 -4.305 -6.032 1.00 0.00 C ATOM 348 OG SER A 23 -9.607 -3.916 -6.418 1.00 0.00 O ATOM 0 H SER A 23 -10.321 -5.833 -6.996 1.00 0.00 H new ATOM 0 HA SER A 23 -7.329 -6.090 -6.875 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.137 -4.121 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.547 -3.750 -6.579 1.00 0.00 H new ATOM 0 HG SER A 23 -9.656 -2.938 -6.462 1.00 0.00 H new ATOM 354 N CYS A 24 -7.106 -6.728 -4.517 1.00 0.00 N ATOM 355 CA CYS A 24 -6.968 -7.480 -3.248 1.00 0.00 C ATOM 356 C CYS A 24 -7.436 -6.608 -2.082 1.00 0.00 C ATOM 357 O CYS A 24 -7.254 -5.406 -2.093 1.00 0.00 O ATOM 358 CB CYS A 24 -5.479 -7.858 -3.044 1.00 0.00 C ATOM 359 SG CYS A 24 -4.364 -6.624 -2.308 1.00 0.00 S ATOM 0 H CYS A 24 -6.241 -6.333 -4.884 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.577 -8.383 -3.289 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.446 -8.750 -2.418 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.071 -8.136 -4.016 1.00 0.00 H new ATOM 364 N GLU A 25 -8.025 -7.223 -1.100 1.00 0.00 N ATOM 365 CA GLU A 25 -8.510 -6.435 0.070 1.00 0.00 C ATOM 366 C GLU A 25 -7.391 -5.610 0.694 1.00 0.00 C ATOM 367 O GLU A 25 -7.549 -4.430 0.936 1.00 0.00 O ATOM 368 CB GLU A 25 -9.043 -7.415 1.126 1.00 0.00 C ATOM 369 CG GLU A 25 -10.348 -8.037 0.622 1.00 0.00 C ATOM 370 CD GLU A 25 -10.977 -8.870 1.742 1.00 0.00 C ATOM 371 OE1 GLU A 25 -10.600 -8.623 2.876 1.00 0.00 O ATOM 372 OE2 GLU A 25 -11.798 -9.705 1.399 1.00 0.00 O ATOM 0 H GLU A 25 -8.192 -8.228 -1.053 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.288 -5.752 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.306 -8.194 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.214 -6.895 2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.038 -7.255 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.153 -8.664 -0.248 1.00 0.00 H new ATOM 379 N GLY A 26 -6.284 -6.241 0.942 1.00 0.00 N ATOM 380 CA GLY A 26 -5.137 -5.501 1.556 1.00 0.00 C ATOM 381 C GLY A 26 -4.930 -4.150 0.869 1.00 0.00 C ATOM 382 O GLY A 26 -4.596 -3.173 1.510 1.00 0.00 O ATOM 0 H GLY A 26 -6.117 -7.229 0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.324 -5.348 2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.229 -6.098 1.475 1.00 0.00 H new ATOM 386 N CYS A 27 -5.127 -4.118 -0.419 1.00 0.00 N ATOM 387 CA CYS A 27 -4.943 -2.838 -1.145 1.00 0.00 C ATOM 388 C CYS A 27 -6.089 -1.895 -0.850 1.00 0.00 C ATOM 389 O CYS A 27 -5.902 -0.887 -0.217 1.00 0.00 O ATOM 390 CB CYS A 27 -4.883 -3.140 -2.659 1.00 0.00 C ATOM 391 SG CYS A 27 -3.249 -3.367 -3.365 1.00 0.00 S ATOM 0 H CYS A 27 -5.404 -4.915 -0.992 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.018 -2.360 -0.821 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.466 -4.041 -2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.374 -2.324 -3.190 1.00 0.00 H new ATOM 396 N LYS A 28 -7.262 -2.245 -1.323 1.00 0.00 N ATOM 397 CA LYS A 28 -8.454 -1.373 -1.078 1.00 0.00 C ATOM 398 C LYS A 28 -8.403 -0.798 0.337 1.00 0.00 C ATOM 399 O LYS A 28 -8.942 0.254 0.608 1.00 0.00 O ATOM 400 CB LYS A 28 -9.722 -2.243 -1.226 1.00 0.00 C ATOM 401 CG LYS A 28 -10.970 -1.340 -1.228 1.00 0.00 C ATOM 402 CD LYS A 28 -12.206 -2.179 -0.886 1.00 0.00 C ATOM 403 CE LYS A 28 -13.466 -1.367 -1.198 1.00 0.00 C ATOM 404 NZ LYS A 28 -14.670 -2.039 -0.636 1.00 0.00 N ATOM 0 H LYS A 28 -7.444 -3.090 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.463 -0.549 -1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.675 -2.818 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.781 -2.960 -0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.851 -0.535 -0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.093 -0.873 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.203 -3.104 -1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.191 -2.459 0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.373 -0.365 -0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.575 -1.254 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.516 -1.476 -0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.766 -2.986 -1.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.570 -2.125 0.396 1.00 0.00 H new ATOM 418 N ALA A 29 -7.742 -1.517 1.213 1.00 0.00 N ATOM 419 CA ALA A 29 -7.630 -1.045 2.607 1.00 0.00 C ATOM 420 C ALA A 29 -6.607 0.075 2.664 1.00 0.00 C ATOM 421 O ALA A 29 -6.864 1.133 3.201 1.00 0.00 O ATOM 422 CB ALA A 29 -7.159 -2.223 3.490 1.00 0.00 C ATOM 0 H ALA A 29 -7.281 -2.405 1.013 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.592 -0.678 2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.071 -1.890 4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.884 -3.035 3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.189 -2.576 3.139 1.00 0.00 H new ATOM 428 N PHE A 30 -5.457 -0.183 2.105 1.00 0.00 N ATOM 429 CA PHE A 30 -4.399 0.853 2.108 1.00 0.00 C ATOM 430 C PHE A 30 -4.850 2.006 1.252 1.00 0.00 C ATOM 431 O PHE A 30 -4.821 3.153 1.653 1.00 0.00 O ATOM 432 CB PHE A 30 -3.108 0.254 1.466 1.00 0.00 C ATOM 433 CG PHE A 30 -2.154 1.407 1.050 1.00 0.00 C ATOM 434 CD1 PHE A 30 -1.239 1.936 1.950 1.00 0.00 C ATOM 435 CD2 PHE A 30 -2.275 1.995 -0.206 1.00 0.00 C ATOM 436 CE1 PHE A 30 -0.473 3.041 1.604 1.00 0.00 C ATOM 437 CE2 PHE A 30 -1.506 3.095 -0.550 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.611 3.622 0.357 1.00 0.00 C ATOM 0 H PHE A 30 -5.210 -1.062 1.650 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.204 1.183 3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.609 -0.407 2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.368 -0.349 0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.122 1.486 2.925 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.976 1.589 -0.920 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.234 3.448 2.312 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.608 3.540 -1.529 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.019 4.486 0.094 1.00 0.00 H new ATOM 448 N PHE A 31 -5.258 1.661 0.084 1.00 0.00 N ATOM 449 CA PHE A 31 -5.723 2.670 -0.858 1.00 0.00 C ATOM 450 C PHE A 31 -6.816 3.541 -0.245 1.00 0.00 C ATOM 451 O PHE A 31 -6.860 4.717 -0.493 1.00 0.00 O ATOM 452 CB PHE A 31 -6.277 1.912 -2.064 1.00 0.00 C ATOM 453 CG PHE A 31 -6.769 2.902 -3.138 1.00 0.00 C ATOM 454 CD1 PHE A 31 -5.955 3.905 -3.604 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.075 2.855 -3.564 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.443 4.856 -4.457 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.581 3.807 -4.420 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.758 4.812 -4.875 1.00 0.00 C ATOM 0 H PHE A 31 -5.288 0.701 -0.260 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.906 3.335 -1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.505 1.266 -2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.098 1.267 -1.751 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.921 3.943 -3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.716 2.056 -3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.795 5.647 -4.806 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.614 3.766 -4.732 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.138 5.561 -5.554 1.00 0.00 H new ATOM 468 N LYS A 32 -7.648 2.948 0.589 1.00 0.00 N ATOM 469 CA LYS A 32 -8.750 3.739 1.228 1.00 0.00 C ATOM 470 C LYS A 32 -8.191 4.787 2.179 1.00 0.00 C ATOM 471 O LYS A 32 -8.621 5.924 2.188 1.00 0.00 O ATOM 472 CB LYS A 32 -9.652 2.747 2.039 1.00 0.00 C ATOM 473 CG LYS A 32 -10.854 2.328 1.181 1.00 0.00 C ATOM 474 CD LYS A 32 -11.630 1.187 1.879 1.00 0.00 C ATOM 475 CE LYS A 32 -12.566 1.773 2.945 1.00 0.00 C ATOM 476 NZ LYS A 32 -13.489 2.775 2.340 1.00 0.00 N ATOM 0 H LYS A 32 -7.610 1.963 0.850 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.320 4.250 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.075 1.869 2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.996 3.221 2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.512 3.182 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.513 2.000 0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.207 0.624 1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.932 0.488 2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.143 0.973 3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.978 2.242 3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.372 2.809 2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.039 3.712 2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.701 2.503 1.359 1.00 0.00 H new ATOM 490 N ARG A 33 -7.261 4.381 2.964 1.00 0.00 N ATOM 491 CA ARG A 33 -6.652 5.327 3.929 1.00 0.00 C ATOM 492 C ARG A 33 -5.634 6.204 3.235 1.00 0.00 C ATOM 493 O ARG A 33 -5.161 7.179 3.785 1.00 0.00 O ATOM 494 CB ARG A 33 -5.929 4.488 4.993 1.00 0.00 C ATOM 495 CG ARG A 33 -5.217 5.417 6.038 1.00 0.00 C ATOM 496 CD ARG A 33 -3.699 5.439 5.776 1.00 0.00 C ATOM 497 NE ARG A 33 -3.031 6.221 6.858 1.00 0.00 N ATOM 498 CZ ARG A 33 -1.753 6.057 7.073 1.00 0.00 C ATOM 499 NH1 ARG A 33 -1.053 5.371 6.212 1.00 0.00 N ATOM 500 NH2 ARG A 33 -1.220 6.584 8.141 1.00 0.00 N ATOM 0 H ARG A 33 -6.887 3.432 2.987 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.422 5.962 4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.644 3.841 5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.195 3.839 4.515 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.620 6.428 5.973 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.415 5.060 7.049 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.307 4.422 5.749 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.491 5.887 4.804 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.568 6.878 7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.505 4.974 5.388 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.054 5.232 6.362 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.800 7.114 8.792 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.224 6.466 8.325 1.00 0.00 H new ATOM 514 N SER A 34 -5.324 5.841 2.022 1.00 0.00 N ATOM 515 CA SER A 34 -4.323 6.622 1.228 1.00 0.00 C ATOM 516 C SER A 34 -4.922 7.411 0.048 1.00 0.00 C ATOM 517 O SER A 34 -4.197 8.120 -0.620 1.00 0.00 O ATOM 518 CB SER A 34 -3.363 5.608 0.645 1.00 0.00 C ATOM 519 OG SER A 34 -2.970 4.815 1.756 1.00 0.00 O ATOM 0 H SER A 34 -5.720 5.034 1.540 1.00 0.00 H new ATOM 0 HA SER A 34 -3.868 7.353 1.896 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.843 5.004 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.505 6.094 0.180 1.00 0.00 H new ATOM 0 HG SER A 34 -2.321 4.142 1.464 1.00 0.00 H new ATOM 525 N ILE A 35 -6.202 7.273 -0.218 1.00 0.00 N ATOM 526 CA ILE A 35 -6.770 8.057 -1.385 1.00 0.00 C ATOM 527 C ILE A 35 -6.282 9.510 -1.352 1.00 0.00 C ATOM 528 O ILE A 35 -5.654 9.931 -0.409 1.00 0.00 O ATOM 529 CB ILE A 35 -8.342 8.045 -1.378 1.00 0.00 C ATOM 530 CG1 ILE A 35 -8.900 6.663 -0.999 1.00 0.00 C ATOM 531 CG2 ILE A 35 -8.852 8.384 -2.812 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.634 5.656 -2.146 1.00 0.00 C ATOM 0 H ILE A 35 -6.859 6.682 0.291 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.418 7.573 -2.296 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.678 8.776 -0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.433 6.312 -0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.970 6.734 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.942 8.379 -2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.491 9.371 -3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.480 7.640 -3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.031 4.679 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.122 6.004 -3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.561 5.576 -2.318 1.00 0.00 H new ATOM 544 N GLN A 36 -6.597 10.229 -2.408 1.00 0.00 N ATOM 545 CA GLN A 36 -6.194 11.669 -2.543 1.00 0.00 C ATOM 546 C GLN A 36 -4.751 11.746 -2.988 1.00 0.00 C ATOM 547 O GLN A 36 -3.918 10.978 -2.547 1.00 0.00 O ATOM 548 CB GLN A 36 -6.340 12.451 -1.216 1.00 0.00 C ATOM 549 CG GLN A 36 -7.745 12.214 -0.586 1.00 0.00 C ATOM 550 CD GLN A 36 -8.723 13.299 -1.061 1.00 0.00 C ATOM 551 OE1 GLN A 36 -9.440 13.126 -2.026 1.00 0.00 O ATOM 552 NE2 GLN A 36 -8.778 14.430 -0.409 1.00 0.00 N ATOM 0 H GLN A 36 -7.129 9.868 -3.200 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.859 12.122 -3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.565 12.137 -0.517 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.193 13.516 -1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.117 11.229 -0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.672 12.229 0.501 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.178 14.581 0.402 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.421 15.162 -0.711 1.00 0.00 H new ATOM 561 N GLY A 37 -4.472 12.680 -3.835 1.00 0.00 N ATOM 562 CA GLY A 37 -3.072 12.823 -4.326 1.00 0.00 C ATOM 563 C GLY A 37 -2.191 13.447 -3.252 1.00 0.00 C ATOM 564 O GLY A 37 -2.637 13.704 -2.151 1.00 0.00 O ATOM 0 H GLY A 37 -5.141 13.351 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.677 11.846 -4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.056 13.443 -5.223 1.00 0.00 H new ATOM 568 N HIS A 38 -0.953 13.688 -3.599 1.00 0.00 N ATOM 569 CA HIS A 38 -0.009 14.298 -2.617 1.00 0.00 C ATOM 570 C HIS A 38 -0.193 13.669 -1.245 1.00 0.00 C ATOM 571 O HIS A 38 -0.258 14.343 -0.237 1.00 0.00 O ATOM 572 CB HIS A 38 -0.281 15.819 -2.540 1.00 0.00 C ATOM 573 CG HIS A 38 0.993 16.544 -2.087 1.00 0.00 C ATOM 574 ND1 HIS A 38 2.059 16.590 -2.739 1.00 0.00 N ATOM 575 CD2 HIS A 38 1.239 17.262 -0.932 1.00 0.00 C ATOM 576 CE1 HIS A 38 2.949 17.256 -2.129 1.00 0.00 C ATOM 577 NE2 HIS A 38 2.518 17.729 -0.960 1.00 0.00 N ATOM 0 H HIS A 38 -0.556 13.489 -4.517 1.00 0.00 H new ATOM 0 HA HIS A 38 1.016 14.121 -2.942 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.598 16.192 -3.514 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.094 16.019 -1.842 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.530 17.427 -0.134 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.945 17.421 -2.514 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.015 18.292 -0.269 1.00 0.00 H new ATOM 585 N ASN A 39 -0.273 12.382 -1.258 1.00 0.00 N ATOM 586 CA ASN A 39 -0.455 11.624 0.001 1.00 0.00 C ATOM 587 C ASN A 39 0.878 11.391 0.677 1.00 0.00 C ATOM 588 O ASN A 39 1.915 11.710 0.129 1.00 0.00 O ATOM 589 CB ASN A 39 -1.084 10.281 -0.367 1.00 0.00 C ATOM 590 CG ASN A 39 -1.799 9.687 0.854 1.00 0.00 C ATOM 591 OD1 ASN A 39 -1.088 9.209 1.835 1.00 0.00 O flip ATOM 592 ND2 ASN A 39 -3.012 9.654 0.921 1.00 0.00 N flip ATOM 0 H ASN A 39 -0.220 11.809 -2.100 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.089 12.182 0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.792 10.413 -1.185 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.315 9.594 -0.719 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.575 10.026 0.157 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.467 9.254 1.742 1.00 0.00 H new ATOM 599 N ASP A 40 0.831 10.869 1.864 1.00 0.00 N ATOM 600 CA ASP A 40 2.086 10.607 2.587 1.00 0.00 C ATOM 601 C ASP A 40 2.972 9.719 1.762 1.00 0.00 C ATOM 602 O ASP A 40 2.849 9.643 0.558 1.00 0.00 O ATOM 603 CB ASP A 40 1.744 9.881 3.897 1.00 0.00 C ATOM 604 CG ASP A 40 0.673 10.672 4.651 1.00 0.00 C ATOM 605 OD1 ASP A 40 1.068 11.599 5.339 1.00 0.00 O ATOM 606 OD2 ASP A 40 -0.481 10.305 4.497 1.00 0.00 O ATOM 0 H ASP A 40 -0.023 10.614 2.360 1.00 0.00 H new ATOM 0 HA ASP A 40 2.601 11.547 2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.386 8.874 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.637 9.779 4.513 1.00 0.00 H new ATOM 611 N TYR A 41 3.833 9.053 2.414 1.00 0.00 N ATOM 612 CA TYR A 41 4.762 8.142 1.690 1.00 0.00 C ATOM 613 C TYR A 41 5.798 8.940 0.914 1.00 0.00 C ATOM 614 O TYR A 41 5.789 10.152 0.919 1.00 0.00 O ATOM 615 CB TYR A 41 3.965 7.267 0.646 1.00 0.00 C ATOM 616 CG TYR A 41 2.504 7.080 1.065 1.00 0.00 C ATOM 617 CD1 TYR A 41 2.192 6.640 2.330 1.00 0.00 C ATOM 618 CD2 TYR A 41 1.472 7.344 0.164 1.00 0.00 C ATOM 619 CE1 TYR A 41 0.877 6.456 2.702 1.00 0.00 C ATOM 620 CE2 TYR A 41 0.152 7.161 0.547 1.00 0.00 C ATOM 621 CZ TYR A 41 -0.148 6.717 1.822 1.00 0.00 C ATOM 622 OH TYR A 41 -1.456 6.557 2.218 1.00 0.00 O ATOM 0 H TYR A 41 3.953 9.085 3.426 1.00 0.00 H new ATOM 0 HA TYR A 41 5.248 7.510 2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.005 7.743 -0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.443 6.293 0.547 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.983 6.437 3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.701 7.691 -0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.649 6.103 3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.645 7.366 -0.153 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.682 5.603 2.223 1.00 0.00 H new ATOM 632 N MET A 42 6.670 8.226 0.262 1.00 0.00 N ATOM 633 CA MET A 42 7.734 8.875 -0.542 1.00 0.00 C ATOM 634 C MET A 42 8.777 7.849 -0.949 1.00 0.00 C ATOM 635 O MET A 42 9.281 7.099 -0.136 1.00 0.00 O ATOM 636 CB MET A 42 8.435 10.016 0.274 1.00 0.00 C ATOM 637 CG MET A 42 8.112 11.384 -0.355 1.00 0.00 C ATOM 638 SD MET A 42 8.539 12.862 0.599 1.00 0.00 S ATOM 639 CE MET A 42 6.982 13.003 1.511 1.00 0.00 C ATOM 0 H MET A 42 6.689 7.206 0.253 1.00 0.00 H new ATOM 0 HA MET A 42 7.269 9.305 -1.429 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.098 9.994 1.310 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.513 9.857 0.286 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.625 11.443 -1.315 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.042 11.415 -0.563 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.005 13.897 2.134 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.153 13.073 0.807 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.849 12.124 2.142 1.00 0.00 H new ATOM 649 N CYS A 43 9.064 7.850 -2.205 1.00 0.00 N ATOM 650 CA CYS A 43 10.077 6.893 -2.766 1.00 0.00 C ATOM 651 C CYS A 43 11.237 7.583 -3.552 1.00 0.00 C ATOM 652 O CYS A 43 12.330 7.052 -3.586 1.00 0.00 O ATOM 653 CB CYS A 43 9.350 5.941 -3.712 1.00 0.00 C ATOM 654 SG CYS A 43 7.839 5.161 -3.085 1.00 0.00 S ATOM 0 H CYS A 43 8.642 8.476 -2.891 1.00 0.00 H new ATOM 0 HA CYS A 43 10.537 6.380 -1.921 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.097 6.490 -4.619 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.045 5.152 -4.000 1.00 0.00 H new ATOM 659 N PRO A 44 11.000 8.752 -4.180 1.00 0.00 N ATOM 660 CA PRO A 44 12.073 9.415 -4.924 1.00 0.00 C ATOM 661 C PRO A 44 13.258 9.713 -4.007 1.00 0.00 C ATOM 662 O PRO A 44 13.250 10.669 -3.258 1.00 0.00 O ATOM 663 CB PRO A 44 11.434 10.726 -5.477 1.00 0.00 C ATOM 664 CG PRO A 44 9.902 10.633 -5.186 1.00 0.00 C ATOM 665 CD PRO A 44 9.710 9.471 -4.179 1.00 0.00 C ATOM 0 HA PRO A 44 12.465 8.793 -5.729 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.868 11.602 -4.994 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.620 10.827 -6.546 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.529 11.570 -4.772 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.344 10.446 -6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.467 9.846 -3.185 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.892 8.817 -4.482 1.00 0.00 H new ATOM 673 N ALA A 45 14.252 8.878 -4.092 1.00 0.00 N ATOM 674 CA ALA A 45 15.443 9.056 -3.263 1.00 0.00 C ATOM 675 C ALA A 45 16.445 8.110 -3.713 1.00 0.00 C ATOM 676 O ALA A 45 17.414 8.486 -4.344 1.00 0.00 O ATOM 677 CB ALA A 45 15.082 8.753 -1.800 1.00 0.00 C ATOM 0 H ALA A 45 14.278 8.071 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 45 15.819 10.076 -3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.964 8.883 -1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.299 9.435 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.727 7.726 -1.718 1.00 0.00 H new ATOM 683 N THR A 46 16.215 6.878 -3.435 1.00 0.00 N ATOM 684 CA THR A 46 17.181 5.895 -3.859 1.00 0.00 C ATOM 685 C THR A 46 16.644 4.474 -3.661 1.00 0.00 C ATOM 686 O THR A 46 17.395 3.550 -3.421 1.00 0.00 O ATOM 687 CB THR A 46 18.460 6.141 -3.019 1.00 0.00 C ATOM 688 OG1 THR A 46 19.512 5.537 -3.744 1.00 0.00 O ATOM 689 CG2 THR A 46 18.426 5.385 -1.670 1.00 0.00 C ATOM 0 H THR A 46 15.401 6.521 -2.935 1.00 0.00 H new ATOM 0 HA THR A 46 17.396 5.991 -4.923 1.00 0.00 H new ATOM 0 HB THR A 46 18.562 7.211 -2.837 1.00 0.00 H new ATOM 0 HG1 THR A 46 19.302 4.593 -3.900 1.00 0.00 H new ATOM 0 HG21 THR A 46 19.343 5.588 -1.116 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.568 5.720 -1.087 1.00 0.00 H new ATOM 0 HG23 THR A 46 18.343 4.314 -1.855 1.00 0.00 H new ATOM 697 N ASN A 47 15.344 4.331 -3.779 1.00 0.00 N ATOM 698 CA ASN A 47 14.729 2.993 -3.606 1.00 0.00 C ATOM 699 C ASN A 47 13.463 2.901 -4.431 1.00 0.00 C ATOM 700 O ASN A 47 12.383 2.870 -3.897 1.00 0.00 O ATOM 701 CB ASN A 47 14.366 2.802 -2.122 1.00 0.00 C ATOM 702 CG ASN A 47 15.573 3.160 -1.250 1.00 0.00 C ATOM 703 OD1 ASN A 47 16.651 2.426 -1.327 1.00 0.00 O flip ATOM 704 ND2 ASN A 47 15.545 4.108 -0.490 1.00 0.00 N flip ATOM 0 H ASN A 47 14.691 5.086 -3.987 1.00 0.00 H new ATOM 0 HA ASN A 47 15.432 2.225 -3.929 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.516 3.432 -1.861 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.066 1.770 -1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.706 4.685 -0.425 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.360 4.327 0.083 1.00 0.00 H new ATOM 711 N GLN A 48 13.626 2.878 -5.732 1.00 0.00 N ATOM 712 CA GLN A 48 12.434 2.788 -6.633 1.00 0.00 C ATOM 713 C GLN A 48 11.378 1.843 -6.064 1.00 0.00 C ATOM 714 O GLN A 48 10.201 2.064 -6.237 1.00 0.00 O ATOM 715 CB GLN A 48 12.898 2.257 -8.003 1.00 0.00 C ATOM 716 CG GLN A 48 13.540 0.866 -7.831 1.00 0.00 C ATOM 717 CD GLN A 48 12.445 -0.207 -7.783 1.00 0.00 C ATOM 718 OE1 GLN A 48 11.377 -0.046 -8.341 1.00 0.00 O ATOM 719 NE2 GLN A 48 12.669 -1.312 -7.127 1.00 0.00 N ATOM 0 H GLN A 48 14.528 2.917 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 48 11.989 3.779 -6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.051 2.195 -8.686 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.616 2.947 -8.447 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.223 0.666 -8.657 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.130 0.838 -6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.563 -1.454 -6.657 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.950 -2.035 -7.085 1.00 0.00 H new ATOM 728 N CYS A 49 11.838 0.813 -5.388 1.00 0.00 N ATOM 729 CA CYS A 49 10.906 -0.195 -4.773 1.00 0.00 C ATOM 730 C CYS A 49 9.821 -0.679 -5.739 1.00 0.00 C ATOM 731 O CYS A 49 9.077 0.093 -6.302 1.00 0.00 O ATOM 732 CB CYS A 49 10.224 0.440 -3.525 1.00 0.00 C ATOM 733 SG CYS A 49 9.821 2.204 -3.591 1.00 0.00 S ATOM 0 H CYS A 49 12.829 0.625 -5.234 1.00 0.00 H new ATOM 0 HA CYS A 49 11.507 -1.063 -4.501 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.301 -0.108 -3.332 1.00 0.00 H new ATOM 0 HB3 CYS A 49 10.877 0.277 -2.667 1.00 0.00 H new ATOM 738 N THR A 50 9.745 -1.972 -5.885 1.00 0.00 N ATOM 739 CA THR A 50 8.726 -2.563 -6.796 1.00 0.00 C ATOM 740 C THR A 50 7.554 -3.062 -5.973 1.00 0.00 C ATOM 741 O THR A 50 7.733 -3.802 -5.025 1.00 0.00 O ATOM 742 CB THR A 50 9.348 -3.752 -7.537 1.00 0.00 C ATOM 743 OG1 THR A 50 10.194 -3.182 -8.513 1.00 0.00 O ATOM 744 CG2 THR A 50 8.280 -4.519 -8.349 1.00 0.00 C ATOM 0 H THR A 50 10.346 -2.647 -5.412 1.00 0.00 H new ATOM 0 HA THR A 50 8.389 -1.811 -7.509 1.00 0.00 H new ATOM 0 HB THR A 50 9.833 -4.417 -6.823 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.628 -3.895 -9.026 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.748 -5.357 -8.865 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.509 -4.892 -7.675 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.829 -3.849 -9.081 1.00 0.00 H new ATOM 752 N ILE A 51 6.373 -2.657 -6.341 1.00 0.00 N ATOM 753 CA ILE A 51 5.182 -3.107 -5.575 1.00 0.00 C ATOM 754 C ILE A 51 4.800 -4.539 -5.967 1.00 0.00 C ATOM 755 O ILE A 51 4.736 -4.879 -7.132 1.00 0.00 O ATOM 756 CB ILE A 51 4.013 -2.097 -5.870 1.00 0.00 C ATOM 757 CG1 ILE A 51 3.971 -1.005 -4.778 1.00 0.00 C ATOM 758 CG2 ILE A 51 2.634 -2.826 -5.908 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.351 -1.553 -3.465 1.00 0.00 C ATOM 0 H ILE A 51 6.182 -2.040 -7.131 1.00 0.00 H new ATOM 0 HA ILE A 51 5.395 -3.119 -4.506 1.00 0.00 H new ATOM 0 HB ILE A 51 4.201 -1.646 -6.844 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.980 -0.642 -4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.388 -0.154 -5.132 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.845 -2.102 -6.114 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.645 -3.584 -6.691 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.447 -3.302 -4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.334 -0.764 -2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.333 -1.893 -3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.950 -2.388 -3.101 1.00 0.00 H new ATOM 771 N ASP A 52 4.557 -5.345 -4.968 1.00 0.00 N ATOM 772 CA ASP A 52 4.180 -6.753 -5.226 1.00 0.00 C ATOM 773 C ASP A 52 3.643 -7.397 -3.954 1.00 0.00 C ATOM 774 O ASP A 52 2.874 -8.334 -4.003 1.00 0.00 O ATOM 775 CB ASP A 52 5.440 -7.508 -5.655 1.00 0.00 C ATOM 776 CG ASP A 52 5.055 -8.904 -6.148 1.00 0.00 C ATOM 777 OD1 ASP A 52 4.447 -8.955 -7.204 1.00 0.00 O ATOM 778 OD2 ASP A 52 5.390 -9.840 -5.440 1.00 0.00 O ATOM 0 H ASP A 52 4.605 -5.082 -3.984 1.00 0.00 H new ATOM 0 HA ASP A 52 3.411 -6.790 -5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.954 -6.960 -6.445 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.134 -7.585 -4.818 1.00 0.00 H new ATOM 783 N LYS A 53 4.079 -6.879 -2.837 1.00 0.00 N ATOM 784 CA LYS A 53 3.621 -7.430 -1.530 1.00 0.00 C ATOM 785 C LYS A 53 2.096 -7.367 -1.401 1.00 0.00 C ATOM 786 O LYS A 53 1.382 -7.595 -2.356 1.00 0.00 O ATOM 787 CB LYS A 53 4.248 -6.589 -0.399 1.00 0.00 C ATOM 788 CG LYS A 53 5.738 -6.353 -0.695 1.00 0.00 C ATOM 789 CD LYS A 53 6.422 -7.699 -0.984 1.00 0.00 C ATOM 790 CE LYS A 53 7.939 -7.529 -0.869 1.00 0.00 C ATOM 791 NZ LYS A 53 8.409 -6.424 -1.750 1.00 0.00 N ATOM 0 H LYS A 53 4.732 -6.098 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 53 3.929 -8.474 -1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.729 -5.635 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.134 -7.103 0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.849 -5.686 -1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.216 -5.865 0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.075 -8.455 -0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.158 -8.048 -1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.210 -7.317 0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.437 -8.459 -1.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.442 -6.483 -1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.957 -6.507 -2.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.157 -5.509 -1.324 1.00 0.00 H new ATOM 805 N ASN A 54 1.623 -7.054 -0.219 1.00 0.00 N ATOM 806 CA ASN A 54 0.152 -6.978 -0.028 1.00 0.00 C ATOM 807 C ASN A 54 -0.213 -6.316 1.297 1.00 0.00 C ATOM 808 O ASN A 54 -1.363 -6.013 1.543 1.00 0.00 O ATOM 809 CB ASN A 54 -0.393 -8.410 -0.015 1.00 0.00 C ATOM 810 CG ASN A 54 -1.912 -8.375 0.153 1.00 0.00 C ATOM 811 OD1 ASN A 54 -2.608 -7.671 -0.548 1.00 0.00 O ATOM 812 ND2 ASN A 54 -2.466 -9.118 1.072 1.00 0.00 N ATOM 0 H ASN A 54 2.187 -6.852 0.607 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.275 -6.383 -0.835 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.131 -8.919 -0.942 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.061 -8.976 0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.478 -9.104 1.197 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.887 -9.712 1.665 1.00 0.00 H new ATOM 819 N ARG A 55 0.772 -6.100 2.132 1.00 0.00 N ATOM 820 CA ARG A 55 0.506 -5.463 3.442 1.00 0.00 C ATOM 821 C ARG A 55 0.665 -3.955 3.333 1.00 0.00 C ATOM 822 O ARG A 55 -0.210 -3.266 2.854 1.00 0.00 O ATOM 823 CB ARG A 55 1.535 -6.062 4.449 1.00 0.00 C ATOM 824 CG ARG A 55 1.288 -5.529 5.876 1.00 0.00 C ATOM 825 CD ARG A 55 -0.161 -5.820 6.306 1.00 0.00 C ATOM 826 NE ARG A 55 -0.215 -5.899 7.793 1.00 0.00 N ATOM 827 CZ ARG A 55 0.050 -4.836 8.500 1.00 0.00 C ATOM 828 NH1 ARG A 55 1.295 -4.547 8.761 1.00 0.00 N ATOM 829 NH2 ARG A 55 -0.939 -4.097 8.923 1.00 0.00 N ATOM 0 H ARG A 55 1.748 -6.340 1.956 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.513 -5.655 3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.462 -7.150 4.446 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.547 -5.810 4.133 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.983 -5.997 6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.477 -4.456 5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.826 -5.035 5.946 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.504 -6.756 5.866 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.457 -6.776 8.253 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.042 -5.149 8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.522 -3.719 9.313 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.900 -4.355 8.699 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.751 -3.262 9.477 1.00 0.00 H new ATOM 843 N ARG A 56 1.771 -3.500 3.758 1.00 0.00 N ATOM 844 CA ARG A 56 2.076 -2.029 3.717 1.00 0.00 C ATOM 845 C ARG A 56 3.376 -1.750 4.460 1.00 0.00 C ATOM 846 O ARG A 56 3.650 -0.631 4.843 1.00 0.00 O ATOM 847 CB ARG A 56 0.938 -1.221 4.403 1.00 0.00 C ATOM 848 CG ARG A 56 0.552 -1.888 5.729 1.00 0.00 C ATOM 849 CD ARG A 56 -0.247 -0.896 6.580 1.00 0.00 C ATOM 850 NE ARG A 56 -1.468 -0.484 5.829 1.00 0.00 N ATOM 851 CZ ARG A 56 -2.506 -1.275 5.807 1.00 0.00 C ATOM 852 NH1 ARG A 56 -3.353 -1.232 6.800 1.00 0.00 N ATOM 853 NH2 ARG A 56 -2.664 -2.084 4.795 1.00 0.00 N ATOM 0 H ARG A 56 2.516 -4.077 4.148 1.00 0.00 H new ATOM 0 HA ARG A 56 2.165 -1.728 2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.264 -0.197 4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.070 -1.169 3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.041 -2.783 5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.447 -2.205 6.264 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.526 -1.354 7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.363 -0.024 6.814 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.492 0.409 5.336 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.198 -0.588 7.575 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.170 -1.843 6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.982 -2.092 4.037 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.470 -2.709 4.762 1.00 0.00 H new ATOM 867 N LYS A 57 4.159 -2.788 4.651 1.00 0.00 N ATOM 868 CA LYS A 57 5.462 -2.624 5.373 1.00 0.00 C ATOM 869 C LYS A 57 6.627 -2.531 4.384 1.00 0.00 C ATOM 870 O LYS A 57 7.754 -2.844 4.713 1.00 0.00 O ATOM 871 CB LYS A 57 5.667 -3.860 6.284 1.00 0.00 C ATOM 872 CG LYS A 57 6.626 -3.495 7.427 1.00 0.00 C ATOM 873 CD LYS A 57 7.136 -4.780 8.092 1.00 0.00 C ATOM 874 CE LYS A 57 5.963 -5.520 8.752 1.00 0.00 C ATOM 875 NZ LYS A 57 5.192 -6.286 7.734 1.00 0.00 N ATOM 0 H LYS A 57 3.953 -3.737 4.339 1.00 0.00 H new ATOM 0 HA LYS A 57 5.436 -1.705 5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.710 -4.191 6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.072 -4.690 5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.464 -2.914 7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.115 -2.871 8.160 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.612 -5.421 7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.893 -4.539 8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.338 -6.198 9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.308 -4.805 9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.263 -5.841 7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.713 -6.289 6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.061 -7.264 8.061 1.00 0.00 H new ATOM 889 N SER A 58 6.324 -2.102 3.183 1.00 0.00 N ATOM 890 CA SER A 58 7.388 -1.972 2.133 1.00 0.00 C ATOM 891 C SER A 58 7.290 -0.609 1.475 1.00 0.00 C ATOM 892 O SER A 58 7.999 0.310 1.837 1.00 0.00 O ATOM 893 CB SER A 58 7.158 -3.055 1.067 1.00 0.00 C ATOM 894 OG SER A 58 8.023 -2.686 0.003 1.00 0.00 O ATOM 0 H SER A 58 5.386 -1.836 2.882 1.00 0.00 H new ATOM 0 HA SER A 58 8.372 -2.086 2.589 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.398 -4.047 1.449 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.117 -3.081 0.744 1.00 0.00 H new ATOM 0 HG SER A 58 7.938 -3.334 -0.727 1.00 0.00 H new ATOM 900 N CYS A 59 6.407 -0.503 0.509 1.00 0.00 N ATOM 901 CA CYS A 59 6.227 0.794 -0.205 1.00 0.00 C ATOM 902 C CYS A 59 4.784 1.223 -0.125 1.00 0.00 C ATOM 903 O CYS A 59 3.883 0.412 -0.207 1.00 0.00 O ATOM 904 CB CYS A 59 6.597 0.606 -1.667 1.00 0.00 C ATOM 905 SG CYS A 59 6.000 1.861 -2.800 1.00 0.00 S ATOM 0 H CYS A 59 5.805 -1.261 0.187 1.00 0.00 H new ATOM 0 HA CYS A 59 6.861 1.552 0.255 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.684 0.564 -1.743 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.217 -0.361 -1.995 1.00 0.00 H new ATOM 910 N GLN A 60 4.589 2.499 0.036 1.00 0.00 N ATOM 911 CA GLN A 60 3.210 3.046 0.131 1.00 0.00 C ATOM 912 C GLN A 60 2.974 4.110 -0.922 1.00 0.00 C ATOM 913 O GLN A 60 1.845 4.413 -1.246 1.00 0.00 O ATOM 914 CB GLN A 60 3.073 3.682 1.507 1.00 0.00 C ATOM 915 CG GLN A 60 3.031 2.579 2.567 1.00 0.00 C ATOM 916 CD GLN A 60 3.149 3.207 3.956 1.00 0.00 C ATOM 917 OE1 GLN A 60 3.644 2.497 4.932 1.00 0.00 O flip ATOM 918 NE2 GLN A 60 2.791 4.350 4.163 1.00 0.00 N flip ATOM 0 H GLN A 60 5.333 3.193 0.107 1.00 0.00 H new ATOM 0 HA GLN A 60 2.485 2.247 -0.023 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.911 4.353 1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.165 4.284 1.554 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.100 2.018 2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.845 1.872 2.405 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.403 4.909 3.403 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.878 4.751 5.097 1.00 0.00 H new ATOM 927 N ALA A 61 4.035 4.668 -1.459 1.00 0.00 N ATOM 928 CA ALA A 61 3.827 5.724 -2.502 1.00 0.00 C ATOM 929 C ALA A 61 3.562 5.097 -3.873 1.00 0.00 C ATOM 930 O ALA A 61 2.672 5.531 -4.577 1.00 0.00 O ATOM 931 CB ALA A 61 5.067 6.670 -2.553 1.00 0.00 C ATOM 0 H ALA A 61 5.004 4.448 -1.231 1.00 0.00 H new ATOM 0 HA ALA A 61 2.949 6.311 -2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.910 7.435 -3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.202 7.146 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.957 6.091 -2.800 1.00 0.00 H new ATOM 937 N CYS A 62 4.320 4.088 -4.246 1.00 0.00 N ATOM 938 CA CYS A 62 4.053 3.481 -5.576 1.00 0.00 C ATOM 939 C CYS A 62 2.761 2.700 -5.494 1.00 0.00 C ATOM 940 O CYS A 62 2.084 2.532 -6.474 1.00 0.00 O ATOM 941 CB CYS A 62 5.199 2.521 -5.983 1.00 0.00 C ATOM 942 SG CYS A 62 6.897 3.171 -6.010 1.00 0.00 S ATOM 0 H CYS A 62 5.081 3.677 -3.706 1.00 0.00 H new ATOM 0 HA CYS A 62 3.983 4.272 -6.322 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.179 1.671 -5.301 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.974 2.137 -6.978 1.00 0.00 H new ATOM 947 N ARG A 63 2.440 2.221 -4.308 1.00 0.00 N ATOM 948 CA ARG A 63 1.183 1.455 -4.170 1.00 0.00 C ATOM 949 C ARG A 63 0.049 2.374 -4.517 1.00 0.00 C ATOM 950 O ARG A 63 -0.767 2.081 -5.361 1.00 0.00 O ATOM 951 CB ARG A 63 1.028 1.002 -2.707 1.00 0.00 C ATOM 952 CG ARG A 63 -0.142 0.019 -2.605 1.00 0.00 C ATOM 953 CD ARG A 63 -0.282 -0.447 -1.154 1.00 0.00 C ATOM 954 NE ARG A 63 0.820 -1.406 -0.844 1.00 0.00 N ATOM 955 CZ ARG A 63 0.702 -2.659 -1.197 1.00 0.00 C ATOM 956 NH1 ARG A 63 -0.445 -3.257 -1.022 1.00 0.00 N ATOM 957 NH2 ARG A 63 1.733 -3.270 -1.712 1.00 0.00 N ATOM 0 H ARG A 63 2.990 2.331 -3.456 1.00 0.00 H new ATOM 0 HA ARG A 63 1.190 0.582 -4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.947 0.529 -2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.851 1.864 -2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.064 0.497 -2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.028 -0.836 -3.259 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.239 0.407 -0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.250 -0.924 -1.003 1.00 0.00 H new ATOM 0 HE ARG A 63 1.659 -1.086 -0.360 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.229 -2.747 -0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.557 -4.234 -1.291 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.614 -2.770 -1.834 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.658 -4.248 -1.993 1.00 0.00 H new ATOM 971 N LEU A 64 0.019 3.475 -3.835 1.00 0.00 N ATOM 972 CA LEU A 64 -1.032 4.463 -4.080 1.00 0.00 C ATOM 973 C LEU A 64 -1.057 4.816 -5.544 1.00 0.00 C ATOM 974 O LEU A 64 -2.023 4.569 -6.235 1.00 0.00 O ATOM 975 CB LEU A 64 -0.653 5.717 -3.289 1.00 0.00 C ATOM 976 CG LEU A 64 -1.682 6.845 -3.510 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.072 6.381 -2.974 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.195 8.115 -2.719 1.00 0.00 C ATOM 0 H LEU A 64 0.691 3.728 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.007 4.074 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.594 5.477 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.336 6.058 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.774 7.082 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.804 7.174 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.389 5.486 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.996 6.158 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.908 8.927 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.122 7.877 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.217 8.422 -3.090 1.00 0.00 H new ATOM 990 N ARG A 65 0.026 5.397 -5.997 1.00 0.00 N ATOM 991 CA ARG A 65 0.105 5.784 -7.417 1.00 0.00 C ATOM 992 C ARG A 65 -0.312 4.624 -8.281 1.00 0.00 C ATOM 993 O ARG A 65 -1.009 4.797 -9.261 1.00 0.00 O ATOM 994 CB ARG A 65 1.573 6.168 -7.735 1.00 0.00 C ATOM 995 CG ARG A 65 1.677 6.732 -9.177 1.00 0.00 C ATOM 996 CD ARG A 65 1.350 8.237 -9.178 1.00 0.00 C ATOM 997 NE ARG A 65 0.877 8.627 -10.538 1.00 0.00 N ATOM 998 CZ ARG A 65 0.903 9.885 -10.890 1.00 0.00 C ATOM 999 NH1 ARG A 65 0.099 10.724 -10.296 1.00 0.00 N ATOM 1000 NH2 ARG A 65 1.734 10.261 -11.823 1.00 0.00 N ATOM 0 H ARG A 65 0.851 5.615 -5.438 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.557 6.627 -7.615 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.926 6.911 -7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.216 5.294 -7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.681 6.569 -9.569 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.989 6.201 -9.835 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.584 8.457 -8.435 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.233 8.815 -8.906 1.00 0.00 H new ATOM 0 HE ARG A 65 0.536 7.918 -11.187 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.536 10.394 -9.569 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.106 11.710 -10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.349 9.577 -12.264 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.769 11.239 -12.111 1.00 0.00 H new ATOM 1014 N LYS A 66 0.114 3.453 -7.915 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.270 2.304 -8.719 1.00 0.00 C ATOM 1016 C LYS A 66 -1.747 2.150 -8.599 1.00 0.00 C ATOM 1017 O LYS A 66 -2.401 1.791 -9.535 1.00 0.00 O ATOM 1018 CB LYS A 66 0.431 1.033 -8.183 1.00 0.00 C ATOM 1019 CG LYS A 66 1.900 0.999 -8.674 1.00 0.00 C ATOM 1020 CD LYS A 66 1.971 0.324 -10.051 1.00 0.00 C ATOM 1021 CE LYS A 66 3.415 0.363 -10.553 1.00 0.00 C ATOM 1022 NZ LYS A 66 3.541 -0.384 -11.836 1.00 0.00 N ATOM 0 H LYS A 66 0.702 3.258 -7.104 1.00 0.00 H new ATOM 0 HA LYS A 66 0.021 2.447 -9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.402 1.022 -7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.097 0.143 -8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.297 2.012 -8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.520 0.456 -7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.624 -0.707 -9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.314 0.835 -10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.729 1.397 -10.695 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.078 -0.072 -9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.527 -0.348 -12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.261 -1.375 -11.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.923 0.049 -12.552 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.266 2.460 -7.436 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.708 2.330 -7.264 1.00 0.00 C ATOM 1038 C CYS A 67 -4.404 3.305 -8.168 1.00 0.00 C ATOM 1039 O CYS A 67 -5.360 2.976 -8.817 1.00 0.00 O ATOM 1040 CB CYS A 67 -4.067 2.597 -5.794 1.00 0.00 C ATOM 1041 SG CYS A 67 -5.093 1.347 -5.012 1.00 0.00 S ATOM 0 H CYS A 67 -1.747 2.790 -6.622 1.00 0.00 H new ATOM 0 HA CYS A 67 -4.030 1.322 -7.525 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.143 2.693 -5.224 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.581 3.556 -5.732 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.110 1.918 -4.437 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.931 4.502 -8.190 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.588 5.472 -9.070 1.00 0.00 C ATOM 1049 C TYR A 68 -4.361 5.027 -10.502 1.00 0.00 C ATOM 1050 O TYR A 68 -5.178 5.272 -11.368 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.956 6.877 -8.873 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.222 7.455 -7.442 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.472 7.358 -6.825 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.220 8.164 -6.782 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.696 7.954 -5.604 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.468 8.764 -5.566 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.699 8.658 -4.972 1.00 0.00 C ATOM 1058 OH TYR A 68 -4.926 9.238 -3.757 1.00 0.00 O ATOM 0 H TYR A 68 -3.136 4.845 -7.650 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.652 5.526 -8.840 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.881 6.816 -9.043 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.359 7.562 -9.619 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.268 6.812 -7.309 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.240 8.244 -7.228 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.666 7.867 -5.138 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.685 9.323 -5.076 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.076 9.542 -3.376 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.243 4.371 -10.733 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.962 3.905 -12.106 1.00 0.00 C ATOM 1070 C GLU A 69 -4.047 2.963 -12.534 1.00 0.00 C ATOM 1071 O GLU A 69 -4.436 2.913 -13.683 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.604 3.181 -12.117 1.00 0.00 C ATOM 1073 CG GLU A 69 -1.092 3.088 -13.557 1.00 0.00 C ATOM 1074 CD GLU A 69 -0.711 4.485 -14.055 1.00 0.00 C ATOM 1075 OE1 GLU A 69 -0.642 5.361 -13.209 1.00 0.00 O ATOM 1076 OE2 GLU A 69 -0.510 4.596 -15.253 1.00 0.00 O ATOM 0 H GLU A 69 -2.533 4.148 -10.035 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.928 4.750 -12.793 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.887 3.720 -11.498 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.707 2.183 -11.690 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.228 2.425 -13.605 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.860 2.658 -14.200 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.509 2.236 -11.591 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.595 1.259 -11.873 1.00 0.00 C ATOM 1085 C VAL A 70 -6.813 2.016 -12.263 1.00 0.00 C ATOM 1086 O VAL A 70 -7.716 1.506 -12.895 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.939 0.472 -10.582 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -7.095 -0.485 -10.856 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.730 -0.329 -10.122 1.00 0.00 C ATOM 0 H VAL A 70 -4.189 2.264 -10.623 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.272 0.577 -12.660 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.223 1.181 -9.804 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.334 -1.036 -9.947 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.969 0.082 -11.177 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.809 -1.186 -11.641 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.981 -0.878 -9.215 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.440 -1.032 -10.903 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.901 0.349 -9.918 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.803 3.235 -11.884 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.944 4.101 -12.194 1.00 0.00 C ATOM 1101 C GLY A 71 -9.135 3.581 -11.417 1.00 0.00 C ATOM 1102 O GLY A 71 -10.230 3.494 -11.934 1.00 0.00 O ATOM 0 H GLY A 71 -6.046 3.680 -11.365 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.728 5.133 -11.919 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.151 4.093 -13.264 1.00 0.00 H new ATOM 1106 N MET A 72 -8.895 3.238 -10.165 1.00 0.00 N ATOM 1107 CA MET A 72 -10.025 2.712 -9.342 1.00 0.00 C ATOM 1108 C MET A 72 -10.866 3.833 -8.839 1.00 0.00 C ATOM 1109 O MET A 72 -12.028 3.977 -9.155 1.00 0.00 O ATOM 1110 CB MET A 72 -9.468 1.951 -8.061 1.00 0.00 C ATOM 1111 CG MET A 72 -9.947 0.541 -8.160 1.00 0.00 C ATOM 1112 SD MET A 72 -9.797 -0.574 -6.752 1.00 0.00 S ATOM 1113 CE MET A 72 -8.234 0.015 -6.234 1.00 0.00 C ATOM 0 H MET A 72 -7.992 3.299 -9.695 1.00 0.00 H new ATOM 0 HA MET A 72 -10.605 2.041 -9.976 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.379 1.989 -8.031 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.829 2.419 -7.145 1.00 0.00 H new ATOM 0 HG2 MET A 72 -11.002 0.577 -8.431 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.419 0.079 -8.994 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.809 -0.674 -5.504 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.569 0.088 -7.095 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.348 0.999 -5.780 1.00 0.00 H new ATOM 1123 N MET A 73 -10.219 4.583 -8.050 1.00 0.00 N ATOM 1124 CA MET A 73 -10.831 5.751 -7.418 1.00 0.00 C ATOM 1125 C MET A 73 -11.868 5.275 -6.451 1.00 0.00 C ATOM 1126 O MET A 73 -12.781 4.561 -6.817 1.00 0.00 O ATOM 1127 CB MET A 73 -11.481 6.669 -8.462 1.00 0.00 C ATOM 1128 CG MET A 73 -10.522 6.870 -9.639 1.00 0.00 C ATOM 1129 SD MET A 73 -8.783 7.194 -9.250 1.00 0.00 S ATOM 1130 CE MET A 73 -8.912 8.995 -9.117 1.00 0.00 C ATOM 0 H MET A 73 -9.242 4.434 -7.799 1.00 0.00 H new ATOM 0 HA MET A 73 -10.060 6.324 -6.903 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.416 6.233 -8.813 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.727 7.631 -8.012 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.567 5.980 -10.266 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.894 7.701 -10.238 1.00 0.00 H new ATOM 0 HE1 MET A 73 -7.934 9.413 -8.877 1.00 0.00 H new ATOM 0 HE2 MET A 73 -9.260 9.406 -10.065 1.00 0.00 H new ATOM 0 HE3 MET A 73 -9.620 9.252 -8.329 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.706 5.666 -5.230 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.666 5.254 -4.187 1.00 0.00 C ATOM 1142 C LYS A 74 -14.107 5.227 -4.710 1.00 0.00 C ATOM 1143 O LYS A 74 -14.858 4.314 -4.432 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.585 6.250 -3.010 1.00 0.00 C ATOM 1145 CG LYS A 74 -12.593 7.700 -3.539 1.00 0.00 C ATOM 1146 CD LYS A 74 -12.441 8.687 -2.353 1.00 0.00 C ATOM 1147 CE LYS A 74 -13.821 8.990 -1.749 1.00 0.00 C ATOM 1148 NZ LYS A 74 -14.690 9.670 -2.750 1.00 0.00 N ATOM 0 H LYS A 74 -10.942 6.259 -4.906 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.402 4.245 -3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.427 6.096 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.678 6.070 -2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.780 7.843 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.522 7.898 -4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.787 8.259 -1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.972 9.610 -2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.292 8.064 -1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.708 9.621 -0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.358 10.298 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.100 10.230 -3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.219 8.957 -3.292 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.458 6.231 -5.447 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.840 6.291 -6.000 1.00 0.00 C ATOM 1164 C GLY A 75 -16.839 6.652 -4.900 1.00 0.00 C ATOM 1165 O GLY A 75 -17.145 5.755 -4.131 1.00 0.00 O ATOM 1166 OXT GLY A 75 -17.240 7.805 -4.890 1.00 0.00 O ATOM 0 H GLY A 75 -13.854 7.015 -5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.887 7.030 -6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.105 5.329 -6.439 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -2.956 -5.598 -3.820 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 7.680 3.007 -3.861 1.00 0.00 ZN