USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 913 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 108 LYS NZ :NH3+ 178:sc= -0.233 (180deg=-0.2) USER MOD Set 1.2: A 112 GLN : amide:sc= -0.0515 K(o=-0.28,f=-1.2!) USER MOD Set 2.1: A 20 ASN : amide:sc= -0.703 K(o=-2.8,f=-3.8!) USER MOD Set 2.2: A 80 ASN : amide:sc= -2.07 K(o=-2.8,f=-14!) USER MOD Set 3.1: A 61 SER OG : rot -130:sc= 0.825 USER MOD Set 3.2: A 65 THR OG1 : rot 117:sc= 0.831 USER MOD Set 4.1: A 35 ASN : amide:sc= -3! C(o=-5.8!,f=-9.6!) USER MOD Set 4.2: A 57 HIS : no HD1:sc= -2.76! C(o=-5.8!,f=-12!) USER MOD Set 5.1: A 23 CYS SG : rot 141:sc= 0.718 USER MOD Set 5.2: A 26 CYS SG : rot -50:sc= -1.94 USER MOD Set 5.3: A 43 CYS SG : rot -130:sc= 0.155 USER MOD Set 5.4: A 46 CYS SG : rot 136:sc= -0.513 USER MOD Set 6.1: A 32 THR OG1 : rot 139:sc= 0.112 USER MOD Set 6.2: A 44 THR OG1 : rot 180:sc= 0.0803 USER MOD Set 7.1: A 10 MET CE :methyl -103:sc= -0.0533 (180deg=0) USER MOD Set 7.2: A 76 GLN : amide:sc= -0.61 X(o=-0.66,f=-0.85) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -122:sc= -0.27 (180deg=-1.96) USER MOD Single : A 15 THR OG1 : rot -34:sc= 1 USER MOD Single : A 19 HIS : no HE2:sc= -6.72! C(o=-6.7!,f=-11!) USER MOD Single : A 22 LYS NZ :NH3+ 150:sc= -0.108 (180deg=-1.25) USER MOD Single : A 28 GLN : amide:sc= 0.0777 K(o=0.078,f=-3.4!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -176:sc= -0.348 (180deg=-0.432) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -30:sc= 0.25 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0021 X(o=-0.0021,f=-0.16) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0402 USER MOD Single : A 69 GLN : amide:sc= -2.84! K(o=-2.8!,f=-1.2) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= -2.24! C(o=-2.2!,f=-4.2!) USER MOD Single : A 83 CYS SG : rot -70:sc= -1.3 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.914 K(o=-0.91,f=-3.6!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -126:sc= -1.44! (180deg=-3.17!) USER MOD Single : A 115 TYR OH : rot 80:sc= 0.568 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 3.525 -20.265 5.189 1.00 0.00 N ATOM 60 CA GLY A 7 3.262 -18.898 4.777 1.00 0.00 C ATOM 61 C GLY A 7 2.514 -18.108 5.832 1.00 0.00 C ATOM 62 O GLY A 7 2.978 -17.057 6.277 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.206 -18.400 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.682 -18.905 3.854 1.00 0.00 H new ATOM 66 N LEU A 8 1.353 -18.612 6.234 1.00 0.00 N ATOM 67 CA LEU A 8 0.538 -17.945 7.244 1.00 0.00 C ATOM 68 C LEU A 8 1.389 -17.513 8.433 1.00 0.00 C ATOM 69 O LEU A 8 1.233 -16.409 8.954 1.00 0.00 O ATOM 70 CB LEU A 8 -0.585 -18.872 7.715 1.00 0.00 C ATOM 71 CG LEU A 8 -1.852 -18.881 6.859 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.748 -19.929 5.763 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.078 -19.131 7.724 1.00 0.00 C ATOM 0 H LEU A 8 0.954 -19.480 5.876 1.00 0.00 H new ATOM 0 HA LEU A 8 0.101 -17.055 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.194 -19.889 7.761 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.859 -18.590 8.731 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.957 -17.903 6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.659 -19.921 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.893 -19.705 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.618 -20.914 6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.970 -19.134 7.098 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.981 -20.095 8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.162 -18.343 8.472 1.00 0.00 H new ATOM 85 N LYS A 9 2.292 -18.391 8.857 1.00 0.00 N ATOM 86 CA LYS A 9 3.172 -18.101 9.983 1.00 0.00 C ATOM 87 C LYS A 9 3.783 -16.709 9.851 1.00 0.00 C ATOM 88 O LYS A 9 3.718 -15.903 10.778 1.00 0.00 O ATOM 89 CB LYS A 9 4.283 -19.150 10.072 1.00 0.00 C ATOM 90 CG LYS A 9 4.799 -19.371 11.484 1.00 0.00 C ATOM 91 CD LYS A 9 6.081 -20.186 11.488 1.00 0.00 C ATOM 92 CE LYS A 9 6.287 -20.895 12.817 1.00 0.00 C ATOM 93 NZ LYS A 9 7.117 -22.122 12.669 1.00 0.00 N ATOM 0 H LYS A 9 2.434 -19.310 8.437 1.00 0.00 H new ATOM 0 HA LYS A 9 2.576 -18.133 10.895 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.911 -20.096 9.678 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.113 -18.844 9.435 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.978 -18.408 11.962 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.039 -19.884 12.074 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.049 -20.921 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.930 -19.532 11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.767 -20.215 13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.318 -21.161 13.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.234 -22.576 13.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.647 -22.782 12.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.051 -21.866 12.289 1.00 0.00 H new ATOM 107 N MET A 10 4.375 -16.435 8.693 1.00 0.00 N ATOM 108 CA MET A 10 4.995 -15.139 8.441 1.00 0.00 C ATOM 109 C MET A 10 4.013 -14.004 8.715 1.00 0.00 C ATOM 110 O MET A 10 4.388 -12.964 9.258 1.00 0.00 O ATOM 111 CB MET A 10 5.492 -15.061 6.996 1.00 0.00 C ATOM 112 CG MET A 10 6.525 -16.120 6.650 1.00 0.00 C ATOM 113 SD MET A 10 8.015 -15.993 7.659 1.00 0.00 S ATOM 114 CE MET A 10 8.993 -14.858 6.676 1.00 0.00 C ATOM 0 H MET A 10 4.438 -17.092 7.915 1.00 0.00 H new ATOM 0 HA MET A 10 5.844 -15.032 9.116 1.00 0.00 H new ATOM 0 HB2 MET A 10 4.641 -15.161 6.322 1.00 0.00 H new ATOM 0 HB3 MET A 10 5.922 -14.075 6.821 1.00 0.00 H new ATOM 0 HG2 MET A 10 6.085 -17.108 6.782 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.795 -16.029 5.598 1.00 0.00 H new ATOM 0 HE1 MET A 10 9.762 -15.412 6.138 1.00 0.00 H new ATOM 0 HE2 MET A 10 8.348 -14.346 5.962 1.00 0.00 H new ATOM 0 HE3 MET A 10 9.465 -14.124 7.329 1.00 0.00 H new ATOM 124 N LEU A 11 2.757 -14.211 8.338 1.00 0.00 N ATOM 125 CA LEU A 11 1.721 -13.204 8.543 1.00 0.00 C ATOM 126 C LEU A 11 1.842 -12.573 9.927 1.00 0.00 C ATOM 127 O LEU A 11 1.825 -11.350 10.065 1.00 0.00 O ATOM 128 CB LEU A 11 0.335 -13.829 8.375 1.00 0.00 C ATOM 129 CG LEU A 11 -0.803 -12.860 8.051 1.00 0.00 C ATOM 130 CD1 LEU A 11 -0.897 -11.773 9.111 1.00 0.00 C ATOM 131 CD2 LEU A 11 -0.606 -12.247 6.673 1.00 0.00 C ATOM 0 H LEU A 11 2.431 -15.067 7.889 1.00 0.00 H new ATOM 0 HA LEU A 11 1.854 -12.423 7.794 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.388 -14.574 7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.084 -14.359 9.294 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.739 -13.418 8.048 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.712 -11.093 8.864 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.087 -12.228 10.083 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.040 -11.218 9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.425 -11.560 6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.339 -11.704 6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.590 -13.037 5.922 1.00 0.00 H new ATOM 143 N ARG A 12 1.966 -13.415 10.947 1.00 0.00 N ATOM 144 CA ARG A 12 2.092 -12.939 12.320 1.00 0.00 C ATOM 145 C ARG A 12 3.244 -11.948 12.448 1.00 0.00 C ATOM 146 O ARG A 12 3.060 -10.823 12.913 1.00 0.00 O ATOM 147 CB ARG A 12 2.309 -14.117 13.272 1.00 0.00 C ATOM 148 CG ARG A 12 1.020 -14.796 13.705 1.00 0.00 C ATOM 149 CD ARG A 12 0.395 -14.095 14.901 1.00 0.00 C ATOM 150 NE ARG A 12 1.227 -14.204 16.096 1.00 0.00 N ATOM 151 CZ ARG A 12 1.048 -13.467 17.186 1.00 0.00 C ATOM 152 NH1 ARG A 12 0.071 -12.573 17.233 1.00 0.00 N ATOM 153 NH2 ARG A 12 1.847 -13.625 18.234 1.00 0.00 N ATOM 0 H ARG A 12 1.982 -14.430 10.849 1.00 0.00 H new ATOM 0 HA ARG A 12 1.167 -12.430 12.588 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.951 -14.852 12.787 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.839 -13.765 14.157 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.314 -14.801 12.875 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.223 -15.837 13.957 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.238 -13.043 14.663 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.586 -14.526 15.102 1.00 0.00 H new ATOM 0 HE ARG A 12 1.988 -14.884 16.093 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.546 -12.449 16.430 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.064 -12.008 18.072 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.599 -14.313 18.203 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.709 -13.058 19.071 1.00 0.00 H new ATOM 167 N ASP A 13 4.433 -12.373 12.034 1.00 0.00 N ATOM 168 CA ASP A 13 5.615 -11.523 12.102 1.00 0.00 C ATOM 169 C ASP A 13 5.322 -10.137 11.537 1.00 0.00 C ATOM 170 O ASP A 13 5.744 -9.126 12.097 1.00 0.00 O ATOM 171 CB ASP A 13 6.775 -12.164 11.337 1.00 0.00 C ATOM 172 CG ASP A 13 7.610 -13.078 12.212 1.00 0.00 C ATOM 173 OD1 ASP A 13 7.033 -13.995 12.833 1.00 0.00 O ATOM 174 OD2 ASP A 13 8.841 -12.877 12.274 1.00 0.00 O ATOM 0 H ASP A 13 4.603 -13.302 11.648 1.00 0.00 H new ATOM 0 HA ASP A 13 5.895 -11.416 13.150 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.381 -12.733 10.495 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.411 -11.381 10.924 1.00 0.00 H new ATOM 179 N MET A 14 4.596 -10.098 10.424 1.00 0.00 N ATOM 180 CA MET A 14 4.246 -8.836 9.784 1.00 0.00 C ATOM 181 C MET A 14 3.360 -7.992 10.695 1.00 0.00 C ATOM 182 O MET A 14 3.665 -6.831 10.973 1.00 0.00 O ATOM 183 CB MET A 14 3.532 -9.094 8.455 1.00 0.00 C ATOM 184 CG MET A 14 4.478 -9.227 7.273 1.00 0.00 C ATOM 185 SD MET A 14 3.653 -8.969 5.691 1.00 0.00 S ATOM 186 CE MET A 14 2.721 -10.492 5.544 1.00 0.00 C ATOM 0 H MET A 14 4.239 -10.926 9.947 1.00 0.00 H new ATOM 0 HA MET A 14 5.168 -8.287 9.592 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.940 -10.005 8.541 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.835 -8.279 8.262 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.288 -8.505 7.378 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.931 -10.218 7.285 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.005 -11.005 4.625 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.935 -11.134 6.399 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.655 -10.265 5.519 1.00 0.00 H new ATOM 196 N THR A 15 2.262 -8.581 11.157 1.00 0.00 N ATOM 197 CA THR A 15 1.331 -7.883 12.035 1.00 0.00 C ATOM 198 C THR A 15 2.058 -7.260 13.222 1.00 0.00 C ATOM 199 O THR A 15 1.649 -6.220 13.736 1.00 0.00 O ATOM 200 CB THR A 15 0.234 -8.829 12.557 1.00 0.00 C ATOM 201 OG1 THR A 15 0.822 -9.882 13.329 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.563 -9.422 11.405 1.00 0.00 C ATOM 0 H THR A 15 1.995 -9.541 10.938 1.00 0.00 H new ATOM 0 HA THR A 15 0.867 -7.095 11.442 1.00 0.00 H new ATOM 0 HB THR A 15 -0.443 -8.252 13.187 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.693 -10.120 12.948 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.332 -10.087 11.799 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.033 -8.619 10.837 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.104 -9.985 10.753 1.00 0.00 H new ATOM 210 N GLY A 16 3.138 -7.905 13.653 1.00 0.00 N ATOM 211 CA GLY A 16 3.904 -7.399 14.777 1.00 0.00 C ATOM 212 C GLY A 16 4.430 -5.998 14.536 1.00 0.00 C ATOM 213 O GLY A 16 4.361 -5.140 15.418 1.00 0.00 O ATOM 0 H GLY A 16 3.496 -8.768 13.244 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.278 -7.400 15.669 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.741 -8.069 14.974 1.00 0.00 H new ATOM 217 N LEU A 17 4.959 -5.764 13.340 1.00 0.00 N ATOM 218 CA LEU A 17 5.501 -4.456 12.986 1.00 0.00 C ATOM 219 C LEU A 17 4.639 -3.336 13.558 1.00 0.00 C ATOM 220 O LEU A 17 3.416 -3.448 13.655 1.00 0.00 O ATOM 221 CB LEU A 17 5.596 -4.316 11.466 1.00 0.00 C ATOM 222 CG LEU A 17 6.438 -5.371 10.746 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.075 -5.427 9.270 1.00 0.00 C ATOM 224 CD2 LEU A 17 7.921 -5.079 10.922 1.00 0.00 C ATOM 0 H LEU A 17 5.024 -6.462 12.599 1.00 0.00 H new ATOM 0 HA LEU A 17 6.500 -4.376 13.415 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.587 -4.343 11.055 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.008 -3.333 11.237 1.00 0.00 H new ATOM 0 HG LEU A 17 6.224 -6.344 11.188 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.684 -6.183 8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.021 -5.683 9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.260 -4.455 8.813 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.506 -5.839 10.404 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.151 -4.098 10.506 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.171 -5.090 11.983 1.00 0.00 H new ATOM 236 N PRO A 18 5.288 -2.228 13.945 1.00 0.00 N ATOM 237 CA PRO A 18 4.599 -1.064 14.511 1.00 0.00 C ATOM 238 C PRO A 18 3.757 -0.328 13.475 1.00 0.00 C ATOM 239 O PRO A 18 2.693 0.207 13.791 1.00 0.00 O ATOM 240 CB PRO A 18 5.747 -0.175 14.998 1.00 0.00 C ATOM 241 CG PRO A 18 6.909 -0.559 14.149 1.00 0.00 C ATOM 242 CD PRO A 18 6.744 -2.025 13.858 1.00 0.00 C ATOM 0 HA PRO A 18 3.898 -1.347 15.296 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.505 0.882 14.884 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.956 -0.342 16.055 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.927 0.022 13.227 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.850 -0.367 14.665 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.128 -2.285 12.871 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.280 -2.641 14.580 1.00 0.00 H new ATOM 250 N HIS A 19 4.239 -0.303 12.237 1.00 0.00 N ATOM 251 CA HIS A 19 3.529 0.368 11.153 1.00 0.00 C ATOM 252 C HIS A 19 2.302 -0.434 10.730 1.00 0.00 C ATOM 253 O HIS A 19 1.585 -0.048 9.808 1.00 0.00 O ATOM 254 CB HIS A 19 4.458 0.572 9.956 1.00 0.00 C ATOM 255 CG HIS A 19 5.403 -0.568 9.730 1.00 0.00 C ATOM 256 ND1 HIS A 19 6.663 -0.624 10.288 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.265 -1.701 9.003 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.260 -1.741 9.912 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.433 -2.413 9.132 1.00 0.00 N ATOM 0 H HIS A 19 5.118 -0.739 11.959 1.00 0.00 H new ATOM 0 HA HIS A 19 3.198 1.341 11.515 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.855 0.717 9.059 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.033 1.486 10.105 1.00 0.00 H new ATOM 0 HD1 HIS A 19 7.070 0.086 10.896 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.398 -1.992 8.428 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.255 -2.052 10.194 1.00 0.00 H new ATOM 267 N ASN A 20 2.069 -1.553 11.409 1.00 0.00 N ATOM 268 CA ASN A 20 0.929 -2.409 11.101 1.00 0.00 C ATOM 269 C ASN A 20 -0.027 -2.489 12.287 1.00 0.00 C ATOM 270 O ASN A 20 -1.224 -2.723 12.118 1.00 0.00 O ATOM 271 CB ASN A 20 1.407 -3.813 10.723 1.00 0.00 C ATOM 272 CG ASN A 20 1.797 -3.916 9.261 1.00 0.00 C ATOM 273 OD1 ASN A 20 1.216 -3.250 8.403 1.00 0.00 O ATOM 274 ND2 ASN A 20 2.786 -4.753 8.970 1.00 0.00 N ATOM 0 H ASN A 20 2.654 -1.888 12.175 1.00 0.00 H new ATOM 0 HA ASN A 20 0.397 -1.973 10.256 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.261 -4.083 11.344 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.617 -4.533 10.937 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.093 -4.864 8.003 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.239 -5.285 9.713 1.00 0.00 H new ATOM 281 N ARG A 21 0.509 -2.291 13.487 1.00 0.00 N ATOM 282 CA ARG A 21 -0.296 -2.341 14.701 1.00 0.00 C ATOM 283 C ARG A 21 -1.645 -1.660 14.487 1.00 0.00 C ATOM 284 O ARG A 21 -2.631 -1.990 15.147 1.00 0.00 O ATOM 285 CB ARG A 21 0.447 -1.672 15.859 1.00 0.00 C ATOM 286 CG ARG A 21 1.715 -2.402 16.272 1.00 0.00 C ATOM 287 CD ARG A 21 1.402 -3.757 16.888 1.00 0.00 C ATOM 288 NE ARG A 21 0.380 -3.663 17.927 1.00 0.00 N ATOM 289 CZ ARG A 21 0.644 -3.349 19.190 1.00 0.00 C ATOM 290 NH1 ARG A 21 1.889 -3.098 19.569 1.00 0.00 N ATOM 291 NH2 ARG A 21 -0.341 -3.283 20.078 1.00 0.00 N ATOM 0 H ARG A 21 1.497 -2.094 13.644 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.472 -3.388 14.948 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.702 -0.651 15.575 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.221 -1.606 16.718 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.358 -2.536 15.403 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.269 -1.795 16.988 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.065 -4.440 16.109 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.312 -4.181 17.312 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.589 -3.849 17.669 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.648 -3.146 18.890 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.088 -2.857 20.540 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.301 -3.474 19.790 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.138 -3.042 21.048 1.00 0.00 H new ATOM 305 N LYS A 22 -1.681 -0.708 13.562 1.00 0.00 N ATOM 306 CA LYS A 22 -2.907 0.020 13.259 1.00 0.00 C ATOM 307 C LYS A 22 -3.256 -0.093 11.779 1.00 0.00 C ATOM 308 O LYS A 22 -2.467 -0.601 10.981 1.00 0.00 O ATOM 309 CB LYS A 22 -2.760 1.493 13.648 1.00 0.00 C ATOM 310 CG LYS A 22 -3.063 1.769 15.111 1.00 0.00 C ATOM 311 CD LYS A 22 -3.046 3.258 15.412 1.00 0.00 C ATOM 312 CE LYS A 22 -1.659 3.728 15.824 1.00 0.00 C ATOM 313 NZ LYS A 22 -0.766 3.916 14.647 1.00 0.00 N ATOM 0 H LYS A 22 -0.874 -0.422 13.008 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.716 -0.424 13.840 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.743 1.818 13.429 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.427 2.092 13.028 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.039 1.356 15.366 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.329 1.262 15.738 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.372 3.812 14.532 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.757 3.477 16.208 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.741 4.667 16.371 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.216 3.000 16.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.075 4.666 14.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.264 3.027 14.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.335 4.186 13.819 1.00 0.00 H new ATOM 327 N CYS A 23 -4.442 0.385 11.416 1.00 0.00 N ATOM 328 CA CYS A 23 -4.895 0.339 10.032 1.00 0.00 C ATOM 329 C CYS A 23 -4.146 1.360 9.180 1.00 0.00 C ATOM 330 O CYS A 23 -3.285 2.087 9.676 1.00 0.00 O ATOM 331 CB CYS A 23 -6.400 0.602 9.957 1.00 0.00 C ATOM 332 SG CYS A 23 -7.230 -0.220 8.559 1.00 0.00 S ATOM 0 H CYS A 23 -5.107 0.809 12.063 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.687 -0.657 9.641 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.863 0.270 10.886 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.567 1.677 9.884 1.00 0.00 H new ATOM 0 HG CYS A 23 -8.387 -0.670 8.945 1.00 0.00 H new ATOM 337 N PHE A 24 -4.480 1.409 7.894 1.00 0.00 N ATOM 338 CA PHE A 24 -3.839 2.340 6.973 1.00 0.00 C ATOM 339 C PHE A 24 -4.677 3.604 6.807 1.00 0.00 C ATOM 340 O PHE A 24 -4.141 4.709 6.711 1.00 0.00 O ATOM 341 CB PHE A 24 -3.624 1.675 5.612 1.00 0.00 C ATOM 342 CG PHE A 24 -2.728 2.461 4.697 1.00 0.00 C ATOM 343 CD1 PHE A 24 -3.222 3.538 3.978 1.00 0.00 C ATOM 344 CD2 PHE A 24 -1.392 2.121 4.554 1.00 0.00 C ATOM 345 CE1 PHE A 24 -2.400 4.263 3.136 1.00 0.00 C ATOM 346 CE2 PHE A 24 -0.566 2.842 3.713 1.00 0.00 C ATOM 347 CZ PHE A 24 -1.070 3.914 3.002 1.00 0.00 C ATOM 0 H PHE A 24 -5.191 0.815 7.467 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.872 2.619 7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.196 0.684 5.764 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.591 1.534 5.128 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.261 3.814 4.077 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.992 1.283 5.106 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.797 5.102 2.583 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.474 2.568 3.611 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.426 4.478 2.343 1.00 0.00 H new ATOM 357 N ASP A 25 -5.994 3.434 6.774 1.00 0.00 N ATOM 358 CA ASP A 25 -6.907 4.561 6.621 1.00 0.00 C ATOM 359 C ASP A 25 -7.480 4.984 7.970 1.00 0.00 C ATOM 360 O ASP A 25 -7.155 6.054 8.486 1.00 0.00 O ATOM 361 CB ASP A 25 -8.042 4.198 5.662 1.00 0.00 C ATOM 362 CG ASP A 25 -7.591 3.262 4.558 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.404 3.327 4.173 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.423 2.463 4.081 1.00 0.00 O ATOM 0 H ASP A 25 -6.453 2.527 6.851 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.345 5.398 6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.852 3.730 6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.445 5.109 5.220 1.00 0.00 H new ATOM 369 N CYS A 26 -8.334 4.138 8.536 1.00 0.00 N ATOM 370 CA CYS A 26 -8.954 4.424 9.824 1.00 0.00 C ATOM 371 C CYS A 26 -7.948 4.260 10.960 1.00 0.00 C ATOM 372 O CYS A 26 -8.288 4.423 12.132 1.00 0.00 O ATOM 373 CB CYS A 26 -10.152 3.501 10.053 1.00 0.00 C ATOM 374 SG CYS A 26 -9.703 1.765 10.374 1.00 0.00 S ATOM 0 H CYS A 26 -8.613 3.248 8.123 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.297 5.458 9.812 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.731 3.877 10.897 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.801 3.541 9.178 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.867 1.358 9.466 1.00 0.00 H new ATOM 379 N ASP A 27 -6.709 3.938 10.604 1.00 0.00 N ATOM 380 CA ASP A 27 -5.653 3.754 11.592 1.00 0.00 C ATOM 381 C ASP A 27 -6.163 2.960 12.791 1.00 0.00 C ATOM 382 O ASP A 27 -5.714 3.164 13.918 1.00 0.00 O ATOM 383 CB ASP A 27 -5.116 5.109 12.054 1.00 0.00 C ATOM 384 CG ASP A 27 -4.093 5.685 11.094 1.00 0.00 C ATOM 385 OD1 ASP A 27 -4.502 6.369 10.132 1.00 0.00 O ATOM 386 OD2 ASP A 27 -2.885 5.452 11.305 1.00 0.00 O ATOM 0 H ASP A 27 -6.412 3.799 9.638 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.845 3.192 11.123 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.945 5.808 12.159 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.664 5.000 13.040 1.00 0.00 H new ATOM 391 N GLN A 28 -7.103 2.054 12.538 1.00 0.00 N ATOM 392 CA GLN A 28 -7.674 1.231 13.597 1.00 0.00 C ATOM 393 C GLN A 28 -6.654 0.222 14.112 1.00 0.00 C ATOM 394 O GLN A 28 -5.846 -0.305 13.347 1.00 0.00 O ATOM 395 CB GLN A 28 -8.919 0.501 13.088 1.00 0.00 C ATOM 396 CG GLN A 28 -9.437 -0.558 14.048 1.00 0.00 C ATOM 397 CD GLN A 28 -10.191 0.036 15.221 1.00 0.00 C ATOM 398 OE1 GLN A 28 -9.602 0.358 16.253 1.00 0.00 O ATOM 399 NE2 GLN A 28 -11.502 0.186 15.069 1.00 0.00 N ATOM 0 H GLN A 28 -7.484 1.872 11.610 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.956 1.887 14.421 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.708 1.230 12.904 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.689 0.032 12.131 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.092 -1.242 13.509 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.599 -1.147 14.420 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.950 -0.094 14.196 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.061 0.582 15.825 1.00 0.00 H new ATOM 408 N ARG A 29 -6.696 -0.043 15.414 1.00 0.00 N ATOM 409 CA ARG A 29 -5.774 -0.988 16.032 1.00 0.00 C ATOM 410 C ARG A 29 -6.292 -2.417 15.901 1.00 0.00 C ATOM 411 O ARG A 29 -7.316 -2.773 16.483 1.00 0.00 O ATOM 412 CB ARG A 29 -5.569 -0.641 17.508 1.00 0.00 C ATOM 413 CG ARG A 29 -4.538 0.452 17.739 1.00 0.00 C ATOM 414 CD ARG A 29 -4.093 0.500 19.192 1.00 0.00 C ATOM 415 NE ARG A 29 -3.420 1.754 19.518 1.00 0.00 N ATOM 416 CZ ARG A 29 -2.824 1.988 20.682 1.00 0.00 C ATOM 417 NH1 ARG A 29 -2.818 1.057 21.626 1.00 0.00 N ATOM 418 NH2 ARG A 29 -2.232 3.155 20.903 1.00 0.00 N ATOM 0 H ARG A 29 -7.359 0.384 16.061 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.818 -0.918 15.513 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.522 -0.326 17.934 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.261 -1.539 18.044 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.673 0.279 17.098 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.959 1.416 17.454 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.960 0.375 19.841 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.421 -0.335 19.393 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.407 2.491 18.813 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.272 0.159 21.459 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.360 1.239 22.519 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.234 3.873 20.179 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.775 3.334 21.797 1.00 0.00 H new ATOM 432 N GLY A 30 -5.576 -3.233 15.133 1.00 0.00 N ATOM 433 CA GLY A 30 -5.979 -4.613 14.939 1.00 0.00 C ATOM 434 C GLY A 30 -6.520 -4.869 13.546 1.00 0.00 C ATOM 435 O GLY A 30 -7.702 -5.159 13.360 1.00 0.00 O ATOM 0 H GLY A 30 -4.724 -2.962 14.642 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.125 -5.266 15.120 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.740 -4.873 15.674 1.00 0.00 H new ATOM 439 N PRO A 31 -5.642 -4.761 12.537 1.00 0.00 N ATOM 440 CA PRO A 31 -6.016 -4.978 11.137 1.00 0.00 C ATOM 441 C PRO A 31 -6.327 -6.441 10.840 1.00 0.00 C ATOM 442 O PRO A 31 -5.621 -7.342 11.294 1.00 0.00 O ATOM 443 CB PRO A 31 -4.774 -4.528 10.364 1.00 0.00 C ATOM 444 CG PRO A 31 -3.648 -4.701 11.324 1.00 0.00 C ATOM 445 CD PRO A 31 -4.218 -4.420 12.687 1.00 0.00 C ATOM 0 HA PRO A 31 -6.922 -4.435 10.869 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.626 -5.130 9.467 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.863 -3.491 10.041 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.242 -5.711 11.272 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.831 -4.017 11.094 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.738 -5.026 13.456 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.082 -3.377 12.972 1.00 0.00 H new ATOM 453 N THR A 32 -7.388 -6.672 10.073 1.00 0.00 N ATOM 454 CA THR A 32 -7.793 -8.026 9.716 1.00 0.00 C ATOM 455 C THR A 32 -7.895 -8.188 8.203 1.00 0.00 C ATOM 456 O THR A 32 -8.530 -9.121 7.711 1.00 0.00 O ATOM 457 CB THR A 32 -9.146 -8.395 10.353 1.00 0.00 C ATOM 458 OG1 THR A 32 -10.147 -7.451 9.957 1.00 0.00 O ATOM 459 CG2 THR A 32 -9.039 -8.423 11.870 1.00 0.00 C ATOM 0 H THR A 32 -7.982 -5.939 9.687 1.00 0.00 H new ATOM 0 HA THR A 32 -7.025 -8.697 10.100 1.00 0.00 H new ATOM 0 HB THR A 32 -9.428 -9.389 10.006 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.983 -7.923 9.761 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.006 -8.686 12.298 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.297 -9.163 12.169 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.737 -7.440 12.232 1.00 0.00 H new ATOM 467 N TYR A 33 -7.267 -7.275 7.471 1.00 0.00 N ATOM 468 CA TYR A 33 -7.289 -7.317 6.014 1.00 0.00 C ATOM 469 C TYR A 33 -5.976 -6.800 5.434 1.00 0.00 C ATOM 470 O TYR A 33 -5.154 -6.222 6.146 1.00 0.00 O ATOM 471 CB TYR A 33 -8.457 -6.488 5.477 1.00 0.00 C ATOM 472 CG TYR A 33 -9.765 -7.246 5.427 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.464 -7.542 6.591 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.301 -7.666 4.216 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.658 -8.234 6.550 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.495 -8.358 4.166 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.170 -8.640 5.335 1.00 0.00 C ATOM 478 OH TYR A 33 -13.360 -9.330 5.289 1.00 0.00 O ATOM 0 H TYR A 33 -6.736 -6.497 7.863 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.417 -8.355 5.708 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.582 -5.604 6.103 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.212 -6.137 4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.066 -7.225 7.544 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.775 -7.448 3.298 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.188 -8.456 7.464 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.898 -8.677 3.216 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.580 -9.541 4.358 1.00 0.00 H new ATOM 488 N VAL A 34 -5.785 -7.013 4.136 1.00 0.00 N ATOM 489 CA VAL A 34 -4.573 -6.568 3.458 1.00 0.00 C ATOM 490 C VAL A 34 -4.876 -6.111 2.036 1.00 0.00 C ATOM 491 O VAL A 34 -5.552 -6.808 1.280 1.00 0.00 O ATOM 492 CB VAL A 34 -3.514 -7.685 3.413 1.00 0.00 C ATOM 493 CG1 VAL A 34 -2.893 -7.888 4.786 1.00 0.00 C ATOM 494 CG2 VAL A 34 -4.126 -8.979 2.899 1.00 0.00 C ATOM 0 H VAL A 34 -6.454 -7.491 3.533 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.179 -5.728 4.030 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.724 -7.385 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.147 -8.681 4.734 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.417 -6.963 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.669 -8.166 5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.363 -9.757 2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.936 -9.286 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.518 -8.822 1.894 1.00 0.00 H new ATOM 504 N ASN A 35 -4.369 -4.936 1.677 1.00 0.00 N ATOM 505 CA ASN A 35 -4.585 -4.385 0.344 1.00 0.00 C ATOM 506 C ASN A 35 -3.570 -4.947 -0.647 1.00 0.00 C ATOM 507 O ASN A 35 -2.551 -4.318 -0.931 1.00 0.00 O ATOM 508 CB ASN A 35 -4.490 -2.859 0.379 1.00 0.00 C ATOM 509 CG ASN A 35 -5.375 -2.201 -0.662 1.00 0.00 C ATOM 510 OD1 ASN A 35 -6.315 -2.812 -1.169 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.077 -0.948 -0.985 1.00 0.00 N ATOM 0 H ASN A 35 -3.806 -4.347 2.291 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.584 -4.672 0.016 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.772 -2.503 1.370 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.455 -2.558 0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.637 -0.453 -1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.288 -0.480 -0.539 1.00 0.00 H new ATOM 518 N MET A 36 -3.857 -6.134 -1.171 1.00 0.00 N ATOM 519 CA MET A 36 -2.970 -6.779 -2.132 1.00 0.00 C ATOM 520 C MET A 36 -2.739 -5.884 -3.345 1.00 0.00 C ATOM 521 O MET A 36 -1.790 -6.082 -4.105 1.00 0.00 O ATOM 522 CB MET A 36 -3.556 -8.120 -2.578 1.00 0.00 C ATOM 523 CG MET A 36 -3.750 -9.108 -1.439 1.00 0.00 C ATOM 524 SD MET A 36 -2.304 -9.226 -0.369 1.00 0.00 S ATOM 525 CE MET A 36 -1.065 -9.788 -1.534 1.00 0.00 C ATOM 0 H MET A 36 -4.696 -6.668 -0.947 1.00 0.00 H new ATOM 0 HA MET A 36 -2.011 -6.953 -1.644 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.516 -7.944 -3.063 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.898 -8.564 -3.325 1.00 0.00 H new ATOM 0 HG2 MET A 36 -4.613 -8.807 -0.845 1.00 0.00 H new ATOM 0 HG3 MET A 36 -3.974 -10.092 -1.851 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.129 -9.977 -1.007 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.405 -10.707 -2.011 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.906 -9.022 -2.293 1.00 0.00 H new ATOM 535 N THR A 37 -3.612 -4.896 -3.521 1.00 0.00 N ATOM 536 CA THR A 37 -3.503 -3.971 -4.642 1.00 0.00 C ATOM 537 C THR A 37 -2.425 -2.924 -4.389 1.00 0.00 C ATOM 538 O THR A 37 -1.953 -2.267 -5.316 1.00 0.00 O ATOM 539 CB THR A 37 -4.842 -3.259 -4.914 1.00 0.00 C ATOM 540 OG1 THR A 37 -4.892 -2.813 -6.274 1.00 0.00 O ATOM 541 CG2 THR A 37 -5.022 -2.072 -3.979 1.00 0.00 C ATOM 0 H THR A 37 -4.402 -4.716 -2.901 1.00 0.00 H new ATOM 0 HA THR A 37 -3.231 -4.563 -5.516 1.00 0.00 H new ATOM 0 HB THR A 37 -5.650 -3.969 -4.735 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.747 -2.363 -6.439 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.974 -1.584 -4.189 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.012 -2.418 -2.945 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.209 -1.362 -4.132 1.00 0.00 H new ATOM 549 N VAL A 38 -2.038 -2.774 -3.126 1.00 0.00 N ATOM 550 CA VAL A 38 -1.014 -1.807 -2.750 1.00 0.00 C ATOM 551 C VAL A 38 0.108 -2.473 -1.962 1.00 0.00 C ATOM 552 O VAL A 38 1.278 -2.383 -2.330 1.00 0.00 O ATOM 553 CB VAL A 38 -1.606 -0.660 -1.910 1.00 0.00 C ATOM 554 CG1 VAL A 38 -0.501 0.249 -1.393 1.00 0.00 C ATOM 555 CG2 VAL A 38 -2.619 0.130 -2.725 1.00 0.00 C ATOM 0 H VAL A 38 -2.418 -3.310 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.610 -1.398 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.121 -1.091 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.938 1.053 -0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.183 -0.328 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.045 0.674 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.027 0.936 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.130 0.551 -3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.427 -0.530 -3.041 1.00 0.00 H new ATOM 565 N GLY A 39 -0.258 -3.143 -0.873 1.00 0.00 N ATOM 566 CA GLY A 39 0.729 -3.816 -0.049 1.00 0.00 C ATOM 567 C GLY A 39 0.654 -3.395 1.405 1.00 0.00 C ATOM 568 O GLY A 39 1.601 -3.595 2.166 1.00 0.00 O ATOM 0 H GLY A 39 -1.220 -3.232 -0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.583 -4.894 -0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.726 -3.603 -0.435 1.00 0.00 H new ATOM 572 N SER A 40 -0.474 -2.809 1.793 1.00 0.00 N ATOM 573 CA SER A 40 -0.667 -2.353 3.165 1.00 0.00 C ATOM 574 C SER A 40 -1.634 -3.268 3.910 1.00 0.00 C ATOM 575 O SER A 40 -2.187 -4.206 3.335 1.00 0.00 O ATOM 576 CB SER A 40 -1.193 -0.917 3.178 1.00 0.00 C ATOM 577 OG SER A 40 -2.609 -0.892 3.161 1.00 0.00 O ATOM 0 H SER A 40 -1.269 -2.639 1.177 1.00 0.00 H new ATOM 0 HA SER A 40 0.298 -2.383 3.671 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.828 -0.401 4.066 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.806 -0.377 2.314 1.00 0.00 H new ATOM 0 HG SER A 40 -2.920 0.037 3.171 1.00 0.00 H new ATOM 583 N PHE A 41 -1.832 -2.989 5.194 1.00 0.00 N ATOM 584 CA PHE A 41 -2.731 -3.786 6.020 1.00 0.00 C ATOM 585 C PHE A 41 -3.985 -2.994 6.380 1.00 0.00 C ATOM 586 O PHE A 41 -3.922 -2.015 7.124 1.00 0.00 O ATOM 587 CB PHE A 41 -2.018 -4.241 7.295 1.00 0.00 C ATOM 588 CG PHE A 41 -1.100 -5.410 7.084 1.00 0.00 C ATOM 589 CD1 PHE A 41 -0.082 -5.349 6.146 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.255 -6.572 7.823 1.00 0.00 C ATOM 591 CE1 PHE A 41 0.765 -6.423 5.949 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.411 -7.650 7.631 1.00 0.00 C ATOM 593 CZ PHE A 41 0.599 -7.576 6.692 1.00 0.00 C ATOM 0 H PHE A 41 -1.382 -2.217 5.685 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.029 -4.663 5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.444 -3.407 7.698 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.764 -4.506 8.044 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.051 -4.451 5.561 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.044 -6.636 8.557 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.555 -6.361 5.216 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.541 -8.549 8.215 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.258 -8.418 6.539 1.00 0.00 H new ATOM 603 N VAL A 42 -5.123 -3.425 5.846 1.00 0.00 N ATOM 604 CA VAL A 42 -6.393 -2.758 6.110 1.00 0.00 C ATOM 605 C VAL A 42 -7.287 -3.611 7.002 1.00 0.00 C ATOM 606 O VAL A 42 -6.931 -4.732 7.366 1.00 0.00 O ATOM 607 CB VAL A 42 -7.143 -2.441 4.803 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.349 -1.458 3.956 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.425 -3.719 4.027 1.00 0.00 C ATOM 0 H VAL A 42 -5.192 -4.233 5.228 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.159 -1.824 6.622 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.097 -1.978 5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.895 -1.246 3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.203 -0.532 4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.379 -1.890 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.956 -3.476 3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.484 -4.212 3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.038 -4.385 4.634 1.00 0.00 H new ATOM 619 N CYS A 43 -8.451 -3.073 7.352 1.00 0.00 N ATOM 620 CA CYS A 43 -9.398 -3.784 8.202 1.00 0.00 C ATOM 621 C CYS A 43 -10.663 -4.141 7.427 1.00 0.00 C ATOM 622 O CYS A 43 -10.812 -3.779 6.259 1.00 0.00 O ATOM 623 CB CYS A 43 -9.757 -2.935 9.423 1.00 0.00 C ATOM 624 SG CYS A 43 -10.757 -1.463 9.036 1.00 0.00 S ATOM 0 H CYS A 43 -8.761 -2.146 7.060 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.925 -4.707 8.536 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.302 -3.554 10.135 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.837 -2.618 9.915 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.227 -0.418 9.598 1.00 0.00 H new ATOM 629 N THR A 44 -11.572 -4.854 8.085 1.00 0.00 N ATOM 630 CA THR A 44 -12.824 -5.260 7.459 1.00 0.00 C ATOM 631 C THR A 44 -13.604 -4.052 6.953 1.00 0.00 C ATOM 632 O THR A 44 -14.302 -4.131 5.942 1.00 0.00 O ATOM 633 CB THR A 44 -13.709 -6.056 8.437 1.00 0.00 C ATOM 634 OG1 THR A 44 -12.914 -7.006 9.155 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.824 -6.776 7.695 1.00 0.00 C ATOM 0 H THR A 44 -11.464 -5.162 9.051 1.00 0.00 H new ATOM 0 HA THR A 44 -12.562 -5.899 6.615 1.00 0.00 H new ATOM 0 HB THR A 44 -14.158 -5.354 9.140 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.484 -7.507 9.775 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.435 -7.331 8.407 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.445 -6.047 7.175 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.392 -7.467 6.971 1.00 0.00 H new ATOM 643 N SER A 45 -13.479 -2.934 7.661 1.00 0.00 N ATOM 644 CA SER A 45 -14.176 -1.710 7.285 1.00 0.00 C ATOM 645 C SER A 45 -13.594 -1.126 6.001 1.00 0.00 C ATOM 646 O SER A 45 -14.252 -1.104 4.961 1.00 0.00 O ATOM 647 CB SER A 45 -14.086 -0.680 8.413 1.00 0.00 C ATOM 648 OG SER A 45 -14.913 0.440 8.149 1.00 0.00 O ATOM 0 H SER A 45 -12.902 -2.851 8.498 1.00 0.00 H new ATOM 0 HA SER A 45 -15.223 -1.957 7.110 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.383 -1.141 9.355 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.053 -0.353 8.530 1.00 0.00 H new ATOM 0 HG SER A 45 -14.839 1.082 8.885 1.00 0.00 H new ATOM 654 N CYS A 46 -12.354 -0.654 6.082 1.00 0.00 N ATOM 655 CA CYS A 46 -11.681 -0.070 4.929 1.00 0.00 C ATOM 656 C CYS A 46 -11.705 -1.029 3.742 1.00 0.00 C ATOM 657 O CYS A 46 -11.928 -0.618 2.603 1.00 0.00 O ATOM 658 CB CYS A 46 -10.236 0.287 5.282 1.00 0.00 C ATOM 659 SG CYS A 46 -10.075 1.415 6.703 1.00 0.00 S ATOM 0 H CYS A 46 -11.795 -0.665 6.935 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.214 0.839 4.650 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.688 -0.631 5.496 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.763 0.745 4.413 1.00 0.00 H new ATOM 0 HG CYS A 46 -9.118 1.001 7.479 1.00 0.00 H new ATOM 664 N SER A 47 -11.472 -2.308 4.017 1.00 0.00 N ATOM 665 CA SER A 47 -11.463 -3.325 2.972 1.00 0.00 C ATOM 666 C SER A 47 -12.688 -3.192 2.073 1.00 0.00 C ATOM 667 O SER A 47 -12.623 -3.457 0.873 1.00 0.00 O ATOM 668 CB SER A 47 -11.422 -4.723 3.593 1.00 0.00 C ATOM 669 OG SER A 47 -12.620 -5.006 4.294 1.00 0.00 O ATOM 0 H SER A 47 -11.287 -2.665 4.954 1.00 0.00 H new ATOM 0 HA SER A 47 -10.570 -3.178 2.364 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.270 -5.467 2.811 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.573 -4.797 4.273 1.00 0.00 H new ATOM 0 HG SER A 47 -13.001 -4.172 4.640 1.00 0.00 H new ATOM 675 N GLY A 48 -13.805 -2.778 2.663 1.00 0.00 N ATOM 676 CA GLY A 48 -15.030 -2.616 1.902 1.00 0.00 C ATOM 677 C GLY A 48 -15.125 -1.257 1.238 1.00 0.00 C ATOM 678 O GLY A 48 -15.749 -1.114 0.186 1.00 0.00 O ATOM 0 H GLY A 48 -13.883 -2.552 3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.086 -3.394 1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.886 -2.755 2.563 1.00 0.00 H new ATOM 682 N SER A 49 -14.505 -0.255 1.853 1.00 0.00 N ATOM 683 CA SER A 49 -14.526 1.101 1.318 1.00 0.00 C ATOM 684 C SER A 49 -13.626 1.216 0.092 1.00 0.00 C ATOM 685 O SER A 49 -14.021 1.774 -0.933 1.00 0.00 O ATOM 686 CB SER A 49 -14.081 2.101 2.387 1.00 0.00 C ATOM 687 OG SER A 49 -13.724 3.343 1.807 1.00 0.00 O ATOM 0 H SER A 49 -13.982 -0.357 2.723 1.00 0.00 H new ATOM 0 HA SER A 49 -15.549 1.331 1.019 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.886 2.250 3.107 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.232 1.696 2.937 1.00 0.00 H new ATOM 0 HG SER A 49 -13.445 3.965 2.511 1.00 0.00 H new ATOM 693 N LEU A 50 -12.414 0.684 0.204 1.00 0.00 N ATOM 694 CA LEU A 50 -11.456 0.725 -0.895 1.00 0.00 C ATOM 695 C LEU A 50 -12.071 0.170 -2.175 1.00 0.00 C ATOM 696 O LEU A 50 -11.702 0.573 -3.279 1.00 0.00 O ATOM 697 CB LEU A 50 -10.200 -0.070 -0.533 1.00 0.00 C ATOM 698 CG LEU A 50 -9.232 0.610 0.437 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.381 -0.426 1.154 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.352 1.608 -0.301 1.00 0.00 C ATOM 0 H LEU A 50 -12.071 0.219 1.045 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.183 1.766 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.509 -1.021 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.661 -0.298 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.814 1.151 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.698 0.076 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.026 -1.102 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.807 -0.995 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.670 2.082 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.778 1.089 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.977 2.369 -0.768 1.00 0.00 H new ATOM 712 N ARG A 51 -13.012 -0.756 -2.021 1.00 0.00 N ATOM 713 CA ARG A 51 -13.680 -1.366 -3.164 1.00 0.00 C ATOM 714 C ARG A 51 -14.559 -0.349 -3.886 1.00 0.00 C ATOM 715 O ARG A 51 -14.553 -0.269 -5.114 1.00 0.00 O ATOM 716 CB ARG A 51 -14.525 -2.558 -2.712 1.00 0.00 C ATOM 717 CG ARG A 51 -13.702 -3.740 -2.228 1.00 0.00 C ATOM 718 CD ARG A 51 -14.576 -4.957 -1.966 1.00 0.00 C ATOM 719 NE ARG A 51 -15.344 -4.824 -0.731 1.00 0.00 N ATOM 720 CZ ARG A 51 -16.515 -4.201 -0.658 1.00 0.00 C ATOM 721 NH1 ARG A 51 -17.050 -3.658 -1.743 1.00 0.00 N ATOM 722 NH2 ARG A 51 -17.154 -4.121 0.502 1.00 0.00 N ATOM 0 H ARG A 51 -13.329 -1.100 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.914 -1.715 -3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.191 -2.237 -1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.156 -2.880 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.946 -3.987 -2.973 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.173 -3.467 -1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.259 -5.100 -2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.950 -5.847 -1.909 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.960 -5.232 0.122 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.562 -3.718 -2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.949 -3.180 -1.684 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.746 -4.538 1.339 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.053 -3.642 0.557 1.00 0.00 H new ATOM 736 N GLY A 52 -15.315 0.426 -3.115 1.00 0.00 N ATOM 737 CA GLY A 52 -16.190 1.426 -3.698 1.00 0.00 C ATOM 738 C GLY A 52 -15.503 2.236 -4.780 1.00 0.00 C ATOM 739 O GLY A 52 -16.135 2.643 -5.756 1.00 0.00 O ATOM 0 H GLY A 52 -15.337 0.379 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -17.068 0.936 -4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.543 2.097 -2.915 1.00 0.00 H new ATOM 743 N LEU A 53 -14.207 2.471 -4.609 1.00 0.00 N ATOM 744 CA LEU A 53 -13.434 3.239 -5.579 1.00 0.00 C ATOM 745 C LEU A 53 -13.552 2.632 -6.973 1.00 0.00 C ATOM 746 O LEU A 53 -14.077 1.532 -7.139 1.00 0.00 O ATOM 747 CB LEU A 53 -11.965 3.298 -5.157 1.00 0.00 C ATOM 748 CG LEU A 53 -11.692 3.819 -3.746 1.00 0.00 C ATOM 749 CD1 LEU A 53 -10.196 3.866 -3.475 1.00 0.00 C ATOM 750 CD2 LEU A 53 -12.313 5.195 -3.556 1.00 0.00 C ATOM 0 H LEU A 53 -13.669 2.141 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.837 4.251 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.543 2.296 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.429 3.930 -5.866 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.149 3.134 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.021 4.239 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.778 2.864 -3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.716 4.529 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.109 5.550 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.885 5.890 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -13.391 5.132 -3.707 1.00 0.00 H new ATOM 762 N ASN A 54 -13.057 3.355 -7.972 1.00 0.00 N ATOM 763 CA ASN A 54 -13.105 2.886 -9.352 1.00 0.00 C ATOM 764 C ASN A 54 -11.822 3.248 -10.094 1.00 0.00 C ATOM 765 O ASN A 54 -11.487 4.419 -10.271 1.00 0.00 O ATOM 766 CB ASN A 54 -14.312 3.487 -10.075 1.00 0.00 C ATOM 767 CG ASN A 54 -14.183 3.403 -11.583 1.00 0.00 C ATOM 768 OD1 ASN A 54 -13.667 4.318 -12.226 1.00 0.00 O ATOM 769 ND2 ASN A 54 -14.653 2.301 -12.156 1.00 0.00 N ATOM 0 H ASN A 54 -12.618 4.268 -7.852 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.202 1.800 -9.338 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.217 2.966 -9.761 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.426 4.530 -9.780 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.594 2.188 -13.168 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.073 1.568 -11.584 1.00 0.00 H new ATOM 776 N PRO A 55 -11.086 2.218 -10.539 1.00 0.00 N ATOM 777 CA PRO A 55 -11.474 0.820 -10.333 1.00 0.00 C ATOM 778 C PRO A 55 -11.362 0.396 -8.873 1.00 0.00 C ATOM 779 O PRO A 55 -10.669 1.023 -8.071 1.00 0.00 O ATOM 780 CB PRO A 55 -10.475 0.044 -11.194 1.00 0.00 C ATOM 781 CG PRO A 55 -9.284 0.935 -11.288 1.00 0.00 C ATOM 782 CD PRO A 55 -9.817 2.341 -11.277 1.00 0.00 C ATOM 0 HA PRO A 55 -12.516 0.643 -10.600 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.219 -0.913 -10.738 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.886 -0.172 -12.180 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.605 0.768 -10.452 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.720 0.738 -12.200 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.130 3.028 -10.783 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.974 2.719 -12.287 1.00 0.00 H new ATOM 790 N PRO A 56 -12.058 -0.694 -8.517 1.00 0.00 N ATOM 791 CA PRO A 56 -12.051 -1.226 -7.151 1.00 0.00 C ATOM 792 C PRO A 56 -10.708 -1.842 -6.775 1.00 0.00 C ATOM 793 O PRO A 56 -10.011 -2.400 -7.623 1.00 0.00 O ATOM 794 CB PRO A 56 -13.141 -2.301 -7.184 1.00 0.00 C ATOM 795 CG PRO A 56 -13.218 -2.719 -8.612 1.00 0.00 C ATOM 796 CD PRO A 56 -12.905 -1.491 -9.420 1.00 0.00 C ATOM 0 HA PRO A 56 -12.223 -0.446 -6.409 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.887 -3.142 -6.539 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.096 -1.908 -6.835 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.507 -3.517 -8.824 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.209 -3.103 -8.853 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.383 -1.740 -10.344 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.811 -0.953 -9.700 1.00 0.00 H new ATOM 804 N HIS A 57 -10.350 -1.736 -5.500 1.00 0.00 N ATOM 805 CA HIS A 57 -9.089 -2.284 -5.012 1.00 0.00 C ATOM 806 C HIS A 57 -9.232 -3.767 -4.682 1.00 0.00 C ATOM 807 O HIS A 57 -10.279 -4.368 -4.924 1.00 0.00 O ATOM 808 CB HIS A 57 -8.620 -1.517 -3.775 1.00 0.00 C ATOM 809 CG HIS A 57 -7.958 -0.212 -4.094 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.976 0.347 -3.303 1.00 0.00 N ATOM 811 CD2 HIS A 57 -8.140 0.644 -5.127 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.584 1.491 -3.835 1.00 0.00 C ATOM 813 NE2 HIS A 57 -7.275 1.694 -4.942 1.00 0.00 N ATOM 0 H HIS A 57 -10.915 -1.276 -4.786 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.345 -2.176 -5.801 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.476 -1.332 -3.127 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.924 -2.140 -3.214 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.836 0.523 -5.944 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.827 2.148 -3.433 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.181 2.500 -5.560 1.00 0.00 H new ATOM 821 N ARG A 58 -8.174 -4.350 -4.128 1.00 0.00 N ATOM 822 CA ARG A 58 -8.181 -5.762 -3.767 1.00 0.00 C ATOM 823 C ARG A 58 -7.920 -5.943 -2.275 1.00 0.00 C ATOM 824 O ARG A 58 -6.872 -5.546 -1.765 1.00 0.00 O ATOM 825 CB ARG A 58 -7.129 -6.523 -4.576 1.00 0.00 C ATOM 826 CG ARG A 58 -7.231 -8.033 -4.441 1.00 0.00 C ATOM 827 CD ARG A 58 -6.585 -8.743 -5.621 1.00 0.00 C ATOM 828 NE ARG A 58 -5.216 -8.290 -5.849 1.00 0.00 N ATOM 829 CZ ARG A 58 -4.306 -9.001 -6.506 1.00 0.00 C ATOM 830 NH1 ARG A 58 -4.619 -10.193 -6.996 1.00 0.00 N ATOM 831 NH2 ARG A 58 -3.081 -8.521 -6.673 1.00 0.00 N ATOM 0 H ARG A 58 -7.301 -3.866 -3.919 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.167 -6.165 -3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.227 -6.253 -5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.137 -6.204 -4.256 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.749 -8.350 -3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.279 -8.323 -4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.586 -9.818 -5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.179 -8.569 -6.518 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.943 -7.378 -5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.560 -10.566 -6.869 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.919 -10.737 -7.500 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.837 -7.605 -6.297 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.383 -9.068 -7.178 1.00 0.00 H new ATOM 845 N VAL A 59 -8.880 -6.545 -1.580 1.00 0.00 N ATOM 846 CA VAL A 59 -8.754 -6.779 -0.146 1.00 0.00 C ATOM 847 C VAL A 59 -9.122 -8.215 0.210 1.00 0.00 C ATOM 848 O VAL A 59 -10.106 -8.759 -0.293 1.00 0.00 O ATOM 849 CB VAL A 59 -9.646 -5.817 0.660 1.00 0.00 C ATOM 850 CG1 VAL A 59 -9.054 -4.415 0.661 1.00 0.00 C ATOM 851 CG2 VAL A 59 -11.060 -5.807 0.101 1.00 0.00 C ATOM 0 H VAL A 59 -9.754 -6.880 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.711 -6.599 0.114 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.690 -6.168 1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.698 -3.749 1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.062 -4.439 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.978 -4.052 -0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.676 -5.122 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.038 -5.481 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.481 -6.811 0.158 1.00 0.00 H new ATOM 861 N LYS A 60 -8.326 -8.825 1.082 1.00 0.00 N ATOM 862 CA LYS A 60 -8.568 -10.198 1.509 1.00 0.00 C ATOM 863 C LYS A 60 -8.344 -10.349 3.010 1.00 0.00 C ATOM 864 O LYS A 60 -7.288 -9.985 3.529 1.00 0.00 O ATOM 865 CB LYS A 60 -7.653 -11.160 0.747 1.00 0.00 C ATOM 866 CG LYS A 60 -8.168 -11.521 -0.636 1.00 0.00 C ATOM 867 CD LYS A 60 -7.167 -12.373 -1.398 1.00 0.00 C ATOM 868 CE LYS A 60 -7.397 -13.856 -1.155 1.00 0.00 C ATOM 869 NZ LYS A 60 -8.339 -14.442 -2.148 1.00 0.00 N ATOM 0 H LYS A 60 -7.507 -8.390 1.507 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.607 -10.442 1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.665 -10.710 0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.532 -12.073 1.331 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.111 -12.060 -0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.374 -10.610 -1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.245 -12.162 -2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.155 -12.106 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.444 -14.384 -1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.792 -14.002 -0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.469 -15.454 -1.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.256 -13.956 -2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.950 -14.326 -3.106 1.00 0.00 H new ATOM 883 N SER A 61 -9.342 -10.888 3.702 1.00 0.00 N ATOM 884 CA SER A 61 -9.254 -11.084 5.144 1.00 0.00 C ATOM 885 C SER A 61 -7.885 -11.634 5.535 1.00 0.00 C ATOM 886 O SER A 61 -7.211 -12.278 4.731 1.00 0.00 O ATOM 887 CB SER A 61 -10.353 -12.037 5.619 1.00 0.00 C ATOM 888 OG SER A 61 -10.556 -13.086 4.688 1.00 0.00 O ATOM 0 H SER A 61 -10.221 -11.197 3.287 1.00 0.00 H new ATOM 0 HA SER A 61 -9.389 -10.116 5.626 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.082 -12.455 6.589 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.282 -11.485 5.758 1.00 0.00 H new ATOM 0 HG SER A 61 -11.512 -13.164 4.487 1.00 0.00 H new ATOM 894 N ILE A 62 -7.482 -11.375 6.774 1.00 0.00 N ATOM 895 CA ILE A 62 -6.196 -11.844 7.273 1.00 0.00 C ATOM 896 C ILE A 62 -6.334 -13.196 7.964 1.00 0.00 C ATOM 897 O ILE A 62 -5.556 -14.116 7.712 1.00 0.00 O ATOM 898 CB ILE A 62 -5.572 -10.837 8.258 1.00 0.00 C ATOM 899 CG1 ILE A 62 -5.121 -9.577 7.516 1.00 0.00 C ATOM 900 CG2 ILE A 62 -4.403 -11.472 8.995 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.564 -8.506 8.428 1.00 0.00 C ATOM 0 H ILE A 62 -8.028 -10.842 7.451 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.541 -11.946 6.408 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.327 -10.553 8.991 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.362 -9.849 6.782 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.967 -9.168 6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.973 -10.748 9.687 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.753 -12.342 9.551 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.645 -11.782 8.276 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.264 -7.642 7.834 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.328 -8.206 9.146 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.698 -8.897 8.962 1.00 0.00 H new ATOM 913 N SER A 63 -7.330 -13.309 8.837 1.00 0.00 N ATOM 914 CA SER A 63 -7.569 -14.548 9.567 1.00 0.00 C ATOM 915 C SER A 63 -8.602 -15.411 8.848 1.00 0.00 C ATOM 916 O SER A 63 -8.529 -16.639 8.877 1.00 0.00 O ATOM 917 CB SER A 63 -8.043 -14.244 10.989 1.00 0.00 C ATOM 918 OG SER A 63 -7.137 -13.382 11.656 1.00 0.00 O ATOM 0 H SER A 63 -7.984 -12.558 9.056 1.00 0.00 H new ATOM 0 HA SER A 63 -6.630 -15.099 9.615 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.030 -13.783 10.956 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.144 -15.174 11.549 1.00 0.00 H new ATOM 0 HG SER A 63 -7.464 -13.202 12.562 1.00 0.00 H new ATOM 924 N MET A 64 -9.564 -14.759 8.205 1.00 0.00 N ATOM 925 CA MET A 64 -10.612 -15.465 7.477 1.00 0.00 C ATOM 926 C MET A 64 -10.123 -15.891 6.096 1.00 0.00 C ATOM 927 O MET A 64 -10.921 -16.219 5.217 1.00 0.00 O ATOM 928 CB MET A 64 -11.853 -14.581 7.342 1.00 0.00 C ATOM 929 CG MET A 64 -13.072 -15.321 6.813 1.00 0.00 C ATOM 930 SD MET A 64 -14.623 -14.538 7.293 1.00 0.00 S ATOM 931 CE MET A 64 -15.533 -15.946 7.923 1.00 0.00 C ATOM 0 H MET A 64 -9.640 -13.742 8.173 1.00 0.00 H new ATOM 0 HA MET A 64 -10.872 -16.360 8.042 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.092 -14.153 8.316 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.626 -13.749 6.676 1.00 0.00 H new ATOM 0 HG2 MET A 64 -13.017 -15.373 5.726 1.00 0.00 H new ATOM 0 HG3 MET A 64 -13.058 -16.347 7.182 1.00 0.00 H new ATOM 0 HE1 MET A 64 -16.518 -15.622 8.260 1.00 0.00 H new ATOM 0 HE2 MET A 64 -15.646 -16.689 7.133 1.00 0.00 H new ATOM 0 HE3 MET A 64 -14.990 -16.386 8.760 1.00 0.00 H new ATOM 941 N THR A 65 -8.807 -15.883 5.911 1.00 0.00 N ATOM 942 CA THR A 65 -8.212 -16.267 4.637 1.00 0.00 C ATOM 943 C THR A 65 -6.741 -16.632 4.805 1.00 0.00 C ATOM 944 O THR A 65 -6.009 -15.980 5.551 1.00 0.00 O ATOM 945 CB THR A 65 -8.333 -15.136 3.598 1.00 0.00 C ATOM 946 OG1 THR A 65 -9.707 -14.941 3.244 1.00 0.00 O ATOM 947 CG2 THR A 65 -7.524 -15.459 2.350 1.00 0.00 C ATOM 0 H THR A 65 -8.133 -15.615 6.628 1.00 0.00 H new ATOM 0 HA THR A 65 -8.761 -17.139 4.281 1.00 0.00 H new ATOM 0 HB THR A 65 -7.939 -14.222 4.041 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.987 -14.038 3.503 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.625 -14.646 1.631 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.474 -15.579 2.618 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.893 -16.384 1.906 1.00 0.00 H new ATOM 955 N THR A 66 -6.313 -17.678 4.106 1.00 0.00 N ATOM 956 CA THR A 66 -4.929 -18.130 4.177 1.00 0.00 C ATOM 957 C THR A 66 -4.097 -17.538 3.046 1.00 0.00 C ATOM 958 O THR A 66 -4.607 -17.285 1.954 1.00 0.00 O ATOM 959 CB THR A 66 -4.836 -19.667 4.117 1.00 0.00 C ATOM 960 OG1 THR A 66 -5.342 -20.139 2.864 1.00 0.00 O ATOM 961 CG2 THR A 66 -5.619 -20.301 5.257 1.00 0.00 C ATOM 0 H THR A 66 -6.905 -18.228 3.484 1.00 0.00 H new ATOM 0 HA THR A 66 -4.534 -17.786 5.133 1.00 0.00 H new ATOM 0 HB THR A 66 -3.788 -19.950 4.215 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.278 -21.116 2.833 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.539 -21.386 5.194 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.213 -19.962 6.210 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.667 -20.010 5.185 1.00 0.00 H new ATOM 969 N PHE A 67 -2.814 -17.319 3.312 1.00 0.00 N ATOM 970 CA PHE A 67 -1.911 -16.755 2.316 1.00 0.00 C ATOM 971 C PHE A 67 -0.739 -17.695 2.050 1.00 0.00 C ATOM 972 O PHE A 67 -0.475 -18.613 2.828 1.00 0.00 O ATOM 973 CB PHE A 67 -1.392 -15.393 2.779 1.00 0.00 C ATOM 974 CG PHE A 67 -2.443 -14.319 2.781 1.00 0.00 C ATOM 975 CD1 PHE A 67 -2.988 -13.864 1.591 1.00 0.00 C ATOM 976 CD2 PHE A 67 -2.886 -13.767 3.971 1.00 0.00 C ATOM 977 CE1 PHE A 67 -3.954 -12.876 1.590 1.00 0.00 C ATOM 978 CE2 PHE A 67 -3.853 -12.779 3.976 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.388 -12.334 2.784 1.00 0.00 C ATOM 0 H PHE A 67 -2.376 -17.524 4.210 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.469 -16.627 1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.983 -15.492 3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.572 -15.086 2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.654 -14.286 0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.471 -14.112 4.906 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.370 -12.528 0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.189 -12.356 4.911 1.00 0.00 H new ATOM 0 HZ PHE A 67 -5.145 -11.563 2.785 1.00 0.00 H new ATOM 989 N THR A 68 -0.039 -17.461 0.944 1.00 0.00 N ATOM 990 CA THR A 68 1.104 -18.287 0.574 1.00 0.00 C ATOM 991 C THR A 68 2.387 -17.464 0.535 1.00 0.00 C ATOM 992 O THR A 68 2.347 -16.244 0.378 1.00 0.00 O ATOM 993 CB THR A 68 0.893 -18.954 -0.798 1.00 0.00 C ATOM 994 OG1 THR A 68 2.008 -19.796 -1.110 1.00 0.00 O ATOM 995 CG2 THR A 68 0.722 -17.907 -1.889 1.00 0.00 C ATOM 0 H THR A 68 -0.244 -16.706 0.289 1.00 0.00 H new ATOM 0 HA THR A 68 1.195 -19.061 1.336 1.00 0.00 H new ATOM 0 HB THR A 68 -0.014 -19.556 -0.748 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.865 -20.218 -1.983 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.574 -18.402 -2.849 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.145 -17.286 -1.664 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.614 -17.282 -1.937 1.00 0.00 H new ATOM 1003 N GLN A 69 3.522 -18.140 0.678 1.00 0.00 N ATOM 1004 CA GLN A 69 4.817 -17.470 0.659 1.00 0.00 C ATOM 1005 C GLN A 69 4.805 -16.290 -0.307 1.00 0.00 C ATOM 1006 O GLN A 69 5.149 -15.169 0.065 1.00 0.00 O ATOM 1007 CB GLN A 69 5.919 -18.456 0.266 1.00 0.00 C ATOM 1008 CG GLN A 69 7.305 -17.833 0.224 1.00 0.00 C ATOM 1009 CD GLN A 69 7.782 -17.378 1.589 1.00 0.00 C ATOM 1010 OE1 GLN A 69 8.620 -18.028 2.215 1.00 0.00 O ATOM 1011 NE2 GLN A 69 7.251 -16.255 2.058 1.00 0.00 N ATOM 0 H GLN A 69 3.571 -19.150 0.808 1.00 0.00 H new ATOM 0 HA GLN A 69 5.018 -17.093 1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.923 -19.285 0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.688 -18.875 -0.713 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.012 -18.557 -0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.296 -16.981 -0.456 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.559 -15.748 1.505 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.535 -15.899 2.971 1.00 0.00 H new ATOM 1020 N GLN A 70 4.409 -16.552 -1.548 1.00 0.00 N ATOM 1021 CA GLN A 70 4.354 -15.511 -2.568 1.00 0.00 C ATOM 1022 C GLN A 70 3.678 -14.255 -2.027 1.00 0.00 C ATOM 1023 O GLN A 70 4.301 -13.198 -1.930 1.00 0.00 O ATOM 1024 CB GLN A 70 3.605 -16.016 -3.802 1.00 0.00 C ATOM 1025 CG GLN A 70 4.207 -17.274 -4.406 1.00 0.00 C ATOM 1026 CD GLN A 70 3.882 -17.428 -5.879 1.00 0.00 C ATOM 1027 OE1 GLN A 70 4.553 -16.855 -6.738 1.00 0.00 O ATOM 1028 NE2 GLN A 70 2.848 -18.205 -6.179 1.00 0.00 N ATOM 0 H GLN A 70 4.122 -17.476 -1.872 1.00 0.00 H new ATOM 0 HA GLN A 70 5.376 -15.259 -2.850 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.568 -16.213 -3.532 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.594 -15.230 -4.557 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.289 -17.252 -4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.839 -18.145 -3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.320 -18.661 -5.435 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.582 -18.346 -7.154 1.00 0.00 H new ATOM 1037 N GLU A 71 2.402 -14.379 -1.677 1.00 0.00 N ATOM 1038 CA GLU A 71 1.642 -13.253 -1.148 1.00 0.00 C ATOM 1039 C GLU A 71 2.344 -12.645 0.064 1.00 0.00 C ATOM 1040 O GLU A 71 2.438 -11.424 0.192 1.00 0.00 O ATOM 1041 CB GLU A 71 0.230 -13.697 -0.764 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.446 -14.556 -1.819 1.00 0.00 C ATOM 1043 CD GLU A 71 -1.929 -14.738 -1.561 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -2.648 -13.720 -1.484 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -2.371 -15.900 -1.437 1.00 0.00 O ATOM 0 H GLU A 71 1.873 -15.248 -1.750 1.00 0.00 H new ATOM 0 HA GLU A 71 1.576 -12.494 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.275 -14.254 0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.382 -12.814 -0.580 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.305 -14.100 -2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.036 -15.533 -1.850 1.00 0.00 H new ATOM 1052 N ILE A 72 2.833 -13.506 0.950 1.00 0.00 N ATOM 1053 CA ILE A 72 3.525 -13.055 2.151 1.00 0.00 C ATOM 1054 C ILE A 72 4.675 -12.117 1.802 1.00 0.00 C ATOM 1055 O ILE A 72 4.648 -10.934 2.139 1.00 0.00 O ATOM 1056 CB ILE A 72 4.074 -14.243 2.964 1.00 0.00 C ATOM 1057 CG1 ILE A 72 2.937 -15.187 3.359 1.00 0.00 C ATOM 1058 CG2 ILE A 72 4.810 -13.744 4.198 1.00 0.00 C ATOM 1059 CD1 ILE A 72 1.983 -14.594 4.371 1.00 0.00 C ATOM 0 H ILE A 72 2.763 -14.519 0.859 1.00 0.00 H new ATOM 0 HA ILE A 72 2.793 -12.519 2.756 1.00 0.00 H new ATOM 0 HB ILE A 72 4.779 -14.795 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.379 -15.464 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.362 -16.104 3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.192 -14.595 4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.641 -13.108 3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.125 -13.172 4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.203 -15.319 4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.528 -14.342 5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.529 -13.693 3.959 1.00 0.00 H new ATOM 1071 N GLU A 73 5.685 -12.654 1.123 1.00 0.00 N ATOM 1072 CA GLU A 73 6.845 -11.863 0.728 1.00 0.00 C ATOM 1073 C GLU A 73 6.413 -10.567 0.047 1.00 0.00 C ATOM 1074 O GLU A 73 7.054 -9.528 0.204 1.00 0.00 O ATOM 1075 CB GLU A 73 7.744 -12.671 -0.210 1.00 0.00 C ATOM 1076 CG GLU A 73 8.620 -13.683 0.508 1.00 0.00 C ATOM 1077 CD GLU A 73 9.678 -14.285 -0.397 1.00 0.00 C ATOM 1078 OE1 GLU A 73 10.371 -13.514 -1.093 1.00 0.00 O ATOM 1079 OE2 GLU A 73 9.812 -15.527 -0.409 1.00 0.00 O ATOM 0 H GLU A 73 5.723 -13.632 0.836 1.00 0.00 H new ATOM 0 HA GLU A 73 7.405 -11.610 1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.121 -13.193 -0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.380 -11.985 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.105 -13.201 1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.994 -14.480 0.909 1.00 0.00 H new ATOM 1086 N PHE A 74 5.323 -10.638 -0.709 1.00 0.00 N ATOM 1087 CA PHE A 74 4.806 -9.472 -1.416 1.00 0.00 C ATOM 1088 C PHE A 74 4.302 -8.419 -0.433 1.00 0.00 C ATOM 1089 O PHE A 74 4.384 -7.219 -0.695 1.00 0.00 O ATOM 1090 CB PHE A 74 3.678 -9.882 -2.364 1.00 0.00 C ATOM 1091 CG PHE A 74 2.821 -8.732 -2.810 1.00 0.00 C ATOM 1092 CD1 PHE A 74 1.889 -8.171 -1.952 1.00 0.00 C ATOM 1093 CD2 PHE A 74 2.949 -8.211 -4.088 1.00 0.00 C ATOM 1094 CE1 PHE A 74 1.099 -7.113 -2.360 1.00 0.00 C ATOM 1095 CE2 PHE A 74 2.162 -7.152 -4.501 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.237 -6.602 -3.636 1.00 0.00 C ATOM 0 H PHE A 74 4.780 -11.490 -0.848 1.00 0.00 H new ATOM 0 HA PHE A 74 5.621 -9.041 -1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.109 -10.365 -3.241 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.050 -10.622 -1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.779 -8.565 -0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.671 -8.637 -4.769 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.375 -6.686 -1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.271 -6.755 -5.500 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.622 -5.774 -3.956 1.00 0.00 H new ATOM 1106 N LEU A 75 3.781 -8.878 0.700 1.00 0.00 N ATOM 1107 CA LEU A 75 3.263 -7.977 1.723 1.00 0.00 C ATOM 1108 C LEU A 75 4.378 -7.511 2.654 1.00 0.00 C ATOM 1109 O LEU A 75 4.305 -6.427 3.230 1.00 0.00 O ATOM 1110 CB LEU A 75 2.165 -8.670 2.532 1.00 0.00 C ATOM 1111 CG LEU A 75 0.798 -8.776 1.855 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -0.086 -9.773 2.588 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.127 -7.411 1.792 1.00 0.00 C ATOM 0 H LEU A 75 3.706 -9.868 0.933 1.00 0.00 H new ATOM 0 HA LEU A 75 2.843 -7.104 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.504 -9.676 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.042 -8.134 3.473 1.00 0.00 H new ATOM 0 HG LEU A 75 0.946 -9.134 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.054 -9.835 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.389 -10.754 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.227 -9.446 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.845 -7.505 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.008 -7.025 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.752 -6.724 1.221 1.00 0.00 H new ATOM 1125 N GLN A 76 5.409 -8.338 2.793 1.00 0.00 N ATOM 1126 CA GLN A 76 6.540 -8.009 3.653 1.00 0.00 C ATOM 1127 C GLN A 76 7.484 -7.032 2.960 1.00 0.00 C ATOM 1128 O GLN A 76 8.017 -6.116 3.588 1.00 0.00 O ATOM 1129 CB GLN A 76 7.299 -9.279 4.042 1.00 0.00 C ATOM 1130 CG GLN A 76 6.624 -10.076 5.147 1.00 0.00 C ATOM 1131 CD GLN A 76 7.415 -11.306 5.547 1.00 0.00 C ATOM 1132 OE1 GLN A 76 8.227 -11.814 4.774 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.183 -11.790 6.761 1.00 0.00 N ATOM 0 H GLN A 76 5.485 -9.240 2.322 1.00 0.00 H new ATOM 0 HA GLN A 76 6.152 -7.535 4.555 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.406 -9.913 3.162 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.305 -9.007 4.363 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.488 -9.437 6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.631 -10.379 4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.501 -11.337 7.369 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.687 -12.615 7.086 1.00 0.00 H new ATOM 1142 N LYS A 77 7.688 -7.233 1.663 1.00 0.00 N ATOM 1143 CA LYS A 77 8.567 -6.369 0.883 1.00 0.00 C ATOM 1144 C LYS A 77 7.984 -4.965 0.763 1.00 0.00 C ATOM 1145 O LYS A 77 8.706 -4.001 0.506 1.00 0.00 O ATOM 1146 CB LYS A 77 8.792 -6.961 -0.510 1.00 0.00 C ATOM 1147 CG LYS A 77 7.791 -6.477 -1.545 1.00 0.00 C ATOM 1148 CD LYS A 77 8.295 -5.243 -2.274 1.00 0.00 C ATOM 1149 CE LYS A 77 9.165 -5.615 -3.465 1.00 0.00 C ATOM 1150 NZ LYS A 77 9.344 -4.471 -4.401 1.00 0.00 N ATOM 0 H LYS A 77 7.256 -7.987 1.129 1.00 0.00 H new ATOM 0 HA LYS A 77 9.523 -6.302 1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.798 -6.709 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.740 -8.048 -0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.597 -7.272 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.843 -6.251 -1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.447 -4.648 -2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.866 -4.620 -1.585 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.140 -5.951 -3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.713 -6.452 -3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.943 -4.766 -5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.416 -4.166 -4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.798 -3.681 -3.900 1.00 0.00 H new ATOM 1164 N HIS A 78 6.672 -4.856 0.951 1.00 0.00 N ATOM 1165 CA HIS A 78 5.992 -3.568 0.866 1.00 0.00 C ATOM 1166 C HIS A 78 5.625 -3.055 2.255 1.00 0.00 C ATOM 1167 O HIS A 78 6.261 -2.141 2.778 1.00 0.00 O ATOM 1168 CB HIS A 78 4.735 -3.688 0.004 1.00 0.00 C ATOM 1169 CG HIS A 78 5.007 -3.618 -1.467 1.00 0.00 C ATOM 1170 ND1 HIS A 78 5.038 -4.731 -2.280 1.00 0.00 N ATOM 1171 CD2 HIS A 78 5.261 -2.559 -2.271 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.300 -4.360 -3.521 1.00 0.00 C ATOM 1173 NE2 HIS A 78 5.440 -3.046 -3.542 1.00 0.00 N ATOM 0 H HIS A 78 6.059 -5.643 1.163 1.00 0.00 H new ATOM 0 HA HIS A 78 6.674 -2.854 0.403 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.239 -4.632 0.229 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.042 -2.892 0.275 1.00 0.00 H new ATOM 0 HD1 HIS A 78 4.883 -5.691 -1.972 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.313 -1.523 -1.969 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.385 -5.018 -4.373 1.00 0.00 H new ATOM 1181 N GLY A 79 4.592 -3.648 2.846 1.00 0.00 N ATOM 1182 CA GLY A 79 4.158 -3.237 4.168 1.00 0.00 C ATOM 1183 C GLY A 79 3.877 -1.749 4.249 1.00 0.00 C ATOM 1184 O GLY A 79 4.229 -0.994 3.344 1.00 0.00 O ATOM 0 H GLY A 79 4.048 -4.406 2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.258 -3.789 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.925 -3.499 4.897 1.00 0.00 H new ATOM 1188 N ASN A 80 3.241 -1.327 5.337 1.00 0.00 N ATOM 1189 CA ASN A 80 2.911 0.080 5.532 1.00 0.00 C ATOM 1190 C ASN A 80 4.170 0.904 5.785 1.00 0.00 C ATOM 1191 O ASN A 80 4.120 2.132 5.833 1.00 0.00 O ATOM 1192 CB ASN A 80 1.939 0.240 6.702 1.00 0.00 C ATOM 1193 CG ASN A 80 0.720 -0.652 6.567 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.600 -1.418 5.611 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.193 -0.556 7.527 1.00 0.00 N ATOM 0 H ASN A 80 2.944 -1.939 6.097 1.00 0.00 H new ATOM 0 HA ASN A 80 2.436 0.446 4.622 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.455 0.007 7.634 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.619 1.280 6.766 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.035 -1.131 7.490 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.052 0.093 8.301 1.00 0.00 H new ATOM 1202 N GLU A 81 5.297 0.217 5.948 1.00 0.00 N ATOM 1203 CA GLU A 81 6.568 0.886 6.197 1.00 0.00 C ATOM 1204 C GLU A 81 6.894 1.870 5.077 1.00 0.00 C ATOM 1205 O GLU A 81 7.024 3.072 5.309 1.00 0.00 O ATOM 1206 CB GLU A 81 7.693 -0.143 6.330 1.00 0.00 C ATOM 1207 CG GLU A 81 9.068 0.479 6.511 1.00 0.00 C ATOM 1208 CD GLU A 81 10.159 -0.559 6.685 1.00 0.00 C ATOM 1209 OE1 GLU A 81 10.359 -1.371 5.757 1.00 0.00 O ATOM 1210 OE2 GLU A 81 10.813 -0.561 7.749 1.00 0.00 O ATOM 0 H GLU A 81 5.355 -0.801 5.912 1.00 0.00 H new ATOM 0 HA GLU A 81 6.480 1.441 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.482 -0.792 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.703 -0.775 5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.298 1.101 5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.054 1.135 7.381 1.00 0.00 H new ATOM 1217 N VAL A 82 7.026 1.350 3.860 1.00 0.00 N ATOM 1218 CA VAL A 82 7.337 2.182 2.704 1.00 0.00 C ATOM 1219 C VAL A 82 6.065 2.627 1.990 1.00 0.00 C ATOM 1220 O VAL A 82 5.920 3.795 1.629 1.00 0.00 O ATOM 1221 CB VAL A 82 8.240 1.437 1.703 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.519 0.970 2.383 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.496 0.263 1.085 1.00 0.00 C ATOM 0 H VAL A 82 6.922 0.357 3.650 1.00 0.00 H new ATOM 0 HA VAL A 82 7.867 3.058 3.078 1.00 0.00 H new ATOM 0 HB VAL A 82 8.512 2.126 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.145 0.446 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.060 1.832 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.270 0.297 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.149 -0.252 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.192 -0.429 1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.613 0.627 0.561 1.00 0.00 H new ATOM 1233 N CYS A 83 5.147 1.688 1.789 1.00 0.00 N ATOM 1234 CA CYS A 83 3.886 1.983 1.118 1.00 0.00 C ATOM 1235 C CYS A 83 3.373 3.365 1.508 1.00 0.00 C ATOM 1236 O CYS A 83 3.338 4.282 0.686 1.00 0.00 O ATOM 1237 CB CYS A 83 2.841 0.921 1.462 1.00 0.00 C ATOM 1238 SG CYS A 83 2.909 -0.549 0.412 1.00 0.00 S ATOM 0 H CYS A 83 5.252 0.716 2.081 1.00 0.00 H new ATOM 0 HA CYS A 83 4.063 1.972 0.043 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.974 0.619 2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.848 1.365 1.384 1.00 0.00 H new ATOM 0 HG CYS A 83 2.505 -0.246 -0.786 1.00 0.00 H new ATOM 1244 N LYS A 84 2.973 3.508 2.767 1.00 0.00 N ATOM 1245 CA LYS A 84 2.460 4.778 3.268 1.00 0.00 C ATOM 1246 C LYS A 84 3.296 5.944 2.750 1.00 0.00 C ATOM 1247 O LYS A 84 2.805 6.786 1.998 1.00 0.00 O ATOM 1248 CB LYS A 84 2.453 4.781 4.798 1.00 0.00 C ATOM 1249 CG LYS A 84 1.775 5.999 5.401 1.00 0.00 C ATOM 1250 CD LYS A 84 1.135 5.676 6.740 1.00 0.00 C ATOM 1251 CE LYS A 84 2.170 5.219 7.757 1.00 0.00 C ATOM 1252 NZ LYS A 84 1.650 5.298 9.150 1.00 0.00 N ATOM 0 H LYS A 84 2.994 2.760 3.460 1.00 0.00 H new ATOM 0 HA LYS A 84 1.439 4.897 2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.948 3.882 5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.481 4.732 5.158 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.506 6.797 5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.015 6.371 4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.616 6.557 7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.385 4.896 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.467 4.193 7.538 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.064 5.836 7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.384 4.978 9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.390 6.281 9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.811 4.690 9.243 1.00 0.00 H new ATOM 1266 N GLN A 85 4.561 5.987 3.158 1.00 0.00 N ATOM 1267 CA GLN A 85 5.464 7.050 2.734 1.00 0.00 C ATOM 1268 C GLN A 85 5.337 7.308 1.236 1.00 0.00 C ATOM 1269 O GLN A 85 5.214 8.454 0.803 1.00 0.00 O ATOM 1270 CB GLN A 85 6.909 6.688 3.080 1.00 0.00 C ATOM 1271 CG GLN A 85 7.302 7.046 4.504 1.00 0.00 C ATOM 1272 CD GLN A 85 8.774 6.813 4.780 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.626 7.609 4.383 1.00 0.00 O ATOM 1274 NE2 GLN A 85 9.083 5.717 5.464 1.00 0.00 N ATOM 0 H GLN A 85 4.983 5.298 3.781 1.00 0.00 H new ATOM 0 HA GLN A 85 5.187 7.961 3.265 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.052 5.618 2.931 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.578 7.199 2.388 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.063 8.093 4.690 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.708 6.454 5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.345 5.084 5.774 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.058 5.508 5.679 1.00 0.00 H new ATOM 1283 N ILE A 86 5.367 6.236 0.452 1.00 0.00 N ATOM 1284 CA ILE A 86 5.254 6.347 -0.997 1.00 0.00 C ATOM 1285 C ILE A 86 3.971 7.070 -1.395 1.00 0.00 C ATOM 1286 O ILE A 86 3.912 7.723 -2.436 1.00 0.00 O ATOM 1287 CB ILE A 86 5.281 4.963 -1.672 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.693 4.376 -1.625 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.791 5.065 -3.109 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.724 2.868 -1.740 1.00 0.00 C ATOM 0 H ILE A 86 5.469 5.281 0.796 1.00 0.00 H new ATOM 0 HA ILE A 86 6.114 6.924 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 86 4.613 4.296 -1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.284 4.806 -2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.170 4.671 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.816 4.079 -3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.769 5.445 -3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.436 5.744 -3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.757 2.521 -1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.161 2.429 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.277 2.566 -2.687 1.00 0.00 H new ATOM 1302 N TRP A 87 2.947 6.949 -0.558 1.00 0.00 N ATOM 1303 CA TRP A 87 1.665 7.592 -0.821 1.00 0.00 C ATOM 1304 C TRP A 87 1.592 8.957 -0.145 1.00 0.00 C ATOM 1305 O TRP A 87 0.720 9.769 -0.458 1.00 0.00 O ATOM 1306 CB TRP A 87 0.517 6.706 -0.335 1.00 0.00 C ATOM 1307 CG TRP A 87 0.405 5.414 -1.086 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.768 4.174 -0.644 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.104 5.235 -2.413 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.516 3.235 -1.615 1.00 0.00 N ATOM 1311 CE2 TRP A 87 -0.019 3.861 -2.710 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.624 6.102 -3.378 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.435 3.337 -3.931 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -1.035 5.580 -4.589 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -0.940 4.208 -4.857 1.00 0.00 C ATOM 0 H TRP A 87 2.980 6.412 0.308 1.00 0.00 H new ATOM 0 HA TRP A 87 1.573 7.735 -1.898 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.657 6.491 0.724 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.420 7.255 -0.428 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.191 3.962 0.327 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.698 2.235 -1.534 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.703 7.161 -3.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.362 2.280 -4.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.437 6.241 -5.343 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.272 3.831 -5.813 1.00 0.00 H new ATOM 1326 N LEU A 88 2.511 9.203 0.782 1.00 0.00 N ATOM 1327 CA LEU A 88 2.550 10.471 1.502 1.00 0.00 C ATOM 1328 C LEU A 88 3.753 11.304 1.073 1.00 0.00 C ATOM 1329 O LEU A 88 4.114 12.278 1.732 1.00 0.00 O ATOM 1330 CB LEU A 88 2.600 10.221 3.011 1.00 0.00 C ATOM 1331 CG LEU A 88 1.691 9.111 3.538 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.225 9.429 4.951 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.498 8.914 2.614 1.00 0.00 C ATOM 0 H LEU A 88 3.239 8.542 1.053 1.00 0.00 H new ATOM 0 HA LEU A 88 1.643 11.026 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.628 9.983 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.341 11.149 3.521 1.00 0.00 H new ATOM 0 HG LEU A 88 2.262 8.183 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.579 8.628 5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.090 9.519 5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.672 10.368 4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.138 8.120 3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.073 9.840 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.850 8.640 1.619 1.00 0.00 H new ATOM 1345 N GLY A 89 4.369 10.915 -0.040 1.00 0.00 N ATOM 1346 CA GLY A 89 5.524 11.638 -0.539 1.00 0.00 C ATOM 1347 C GLY A 89 5.381 13.139 -0.382 1.00 0.00 C ATOM 1348 O GLY A 89 6.250 13.797 0.192 1.00 0.00 O ATOM 0 H GLY A 89 4.089 10.113 -0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.415 11.304 -0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.672 11.398 -1.592 1.00 0.00 H new ATOM 1352 N LEU A 90 4.282 13.684 -0.894 1.00 0.00 N ATOM 1353 CA LEU A 90 4.029 15.118 -0.809 1.00 0.00 C ATOM 1354 C LEU A 90 3.367 15.476 0.518 1.00 0.00 C ATOM 1355 O LEU A 90 3.673 16.507 1.118 1.00 0.00 O ATOM 1356 CB LEU A 90 3.143 15.569 -1.971 1.00 0.00 C ATOM 1357 CG LEU A 90 3.827 15.672 -3.335 1.00 0.00 C ATOM 1358 CD1 LEU A 90 2.792 15.735 -4.448 1.00 0.00 C ATOM 1359 CD2 LEU A 90 4.740 16.888 -3.384 1.00 0.00 C ATOM 0 H LEU A 90 3.553 13.155 -1.372 1.00 0.00 H new ATOM 0 HA LEU A 90 4.987 15.635 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.308 14.873 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.721 16.543 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 90 4.436 14.780 -3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.297 15.808 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.180 14.833 -4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.156 16.609 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.218 16.945 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.153 17.791 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.504 16.801 -2.611 1.00 0.00 H new ATOM 1371 N PHE A 91 2.460 14.618 0.972 1.00 0.00 N ATOM 1372 CA PHE A 91 1.755 14.843 2.229 1.00 0.00 C ATOM 1373 C PHE A 91 2.740 14.992 3.385 1.00 0.00 C ATOM 1374 O PHE A 91 3.311 14.009 3.858 1.00 0.00 O ATOM 1375 CB PHE A 91 0.790 13.689 2.511 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.092 13.924 3.703 1.00 0.00 C ATOM 1377 CD1 PHE A 91 -1.071 14.905 3.675 1.00 0.00 C ATOM 1378 CD2 PHE A 91 0.057 13.164 4.852 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -1.885 15.123 4.770 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -0.755 13.378 5.950 1.00 0.00 C ATOM 1381 CZ PHE A 91 -1.726 14.359 5.910 1.00 0.00 C ATOM 0 H PHE A 91 2.195 13.760 0.488 1.00 0.00 H new ATOM 0 HA PHE A 91 1.186 15.768 2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.165 13.526 1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.364 12.776 2.668 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.199 15.506 2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.816 12.396 4.890 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.645 15.890 4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.630 12.778 6.839 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.360 14.529 6.768 1.00 0.00 H new ATOM 1490 N PRO A 99 -8.175 13.412 8.590 1.00 0.00 N ATOM 1491 CA PRO A 99 -9.611 13.189 8.782 1.00 0.00 C ATOM 1492 C PRO A 99 -9.901 12.263 9.958 1.00 0.00 C ATOM 1493 O PRO A 99 -9.000 11.907 10.717 1.00 0.00 O ATOM 1494 CB PRO A 99 -10.047 12.536 7.467 1.00 0.00 C ATOM 1495 CG PRO A 99 -8.814 11.889 6.938 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.669 12.766 7.367 1.00 0.00 C ATOM 0 HA PRO A 99 -10.141 14.114 9.011 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.838 11.805 7.632 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.437 13.276 6.768 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.702 10.880 7.334 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.854 11.803 5.852 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.768 12.184 7.563 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.415 13.499 6.601 1.00 0.00 H new ATOM 1504 N ASP A 100 -11.164 11.877 10.103 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.573 10.991 11.187 1.00 0.00 C ATOM 1506 C ASP A 100 -11.419 9.529 10.781 1.00 0.00 C ATOM 1507 O ASP A 100 -11.054 9.224 9.645 1.00 0.00 O ATOM 1508 CB ASP A 100 -13.022 11.273 11.585 1.00 0.00 C ATOM 1509 CG ASP A 100 -13.153 12.500 12.465 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -12.609 12.484 13.590 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -13.799 13.477 12.031 1.00 0.00 O ATOM 0 H ASP A 100 -11.922 12.164 9.484 1.00 0.00 H new ATOM 0 HA ASP A 100 -10.926 11.182 12.043 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.623 11.409 10.686 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.426 10.408 12.111 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.699 8.628 11.716 1.00 0.00 N ATOM 1517 CA PHE A 101 -11.590 7.197 11.457 1.00 0.00 C ATOM 1518 C PHE A 101 -12.881 6.476 11.832 1.00 0.00 C ATOM 1519 O PHE A 101 -13.241 5.467 11.225 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.415 6.603 12.237 1.00 0.00 C ATOM 1521 CG PHE A 101 -9.131 7.361 12.057 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -8.696 7.722 10.792 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.360 7.714 13.153 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.515 8.420 10.622 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -7.178 8.412 12.989 1.00 0.00 C ATOM 1526 CZ PHE A 101 -6.755 8.764 11.723 1.00 0.00 C ATOM 0 H PHE A 101 -12.003 8.863 12.661 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.415 7.059 10.390 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.668 6.579 13.297 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.265 5.570 11.922 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.287 7.455 9.928 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.686 7.441 14.146 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.187 8.696 9.631 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.586 8.682 13.851 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.831 9.308 11.593 1.00 0.00 H new ATOM 1536 N ARG A 102 -13.573 7.000 12.838 1.00 0.00 N ATOM 1537 CA ARG A 102 -14.823 6.406 13.297 1.00 0.00 C ATOM 1538 C ARG A 102 -15.883 6.456 12.200 1.00 0.00 C ATOM 1539 O ARG A 102 -16.796 5.631 12.168 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.330 7.132 14.544 1.00 0.00 C ATOM 1541 CG ARG A 102 -15.065 8.629 14.528 1.00 0.00 C ATOM 1542 CD ARG A 102 -13.764 8.972 15.234 1.00 0.00 C ATOM 1543 NE ARG A 102 -13.968 9.254 16.652 1.00 0.00 N ATOM 1544 CZ ARG A 102 -12.982 9.547 17.493 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -11.730 9.596 17.061 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -13.249 9.791 18.770 1.00 0.00 N ATOM 0 H ARG A 102 -13.289 7.835 13.351 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.631 5.362 13.546 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -16.402 6.963 14.642 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -14.857 6.697 15.425 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -15.025 8.981 13.497 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -15.891 9.151 15.011 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -13.064 8.143 15.126 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.309 9.838 14.754 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.920 9.224 17.017 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.521 9.409 16.080 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -10.975 9.821 17.709 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.211 9.754 19.106 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.492 10.016 19.415 1.00 0.00 H new ATOM 1560 N ASP A 103 -15.755 7.429 11.305 1.00 0.00 N ATOM 1561 CA ASP A 103 -16.702 7.587 10.206 1.00 0.00 C ATOM 1562 C ASP A 103 -16.065 7.185 8.879 1.00 0.00 C ATOM 1563 O ASP A 103 -15.033 7.718 8.471 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.195 9.033 10.133 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.192 9.360 11.227 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -17.823 9.259 12.416 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -19.342 9.717 10.894 1.00 0.00 O ATOM 0 H ASP A 103 -15.005 8.120 11.318 1.00 0.00 H new ATOM 0 HA ASP A 103 -17.552 6.931 10.394 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.343 9.709 10.208 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -17.656 9.208 9.161 1.00 0.00 H new ATOM 1572 N PRO A 104 -16.694 6.222 8.189 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.206 5.727 6.898 1.00 0.00 C ATOM 1574 C PRO A 104 -16.359 6.760 5.786 1.00 0.00 C ATOM 1575 O PRO A 104 -15.516 6.853 4.894 1.00 0.00 O ATOM 1576 CB PRO A 104 -17.096 4.512 6.625 1.00 0.00 C ATOM 1577 CG PRO A 104 -18.347 4.779 7.389 1.00 0.00 C ATOM 1578 CD PRO A 104 -17.929 5.542 8.615 1.00 0.00 C ATOM 0 HA PRO A 104 -15.141 5.495 6.926 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -17.299 4.401 5.560 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -16.619 3.590 6.956 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.053 5.356 6.792 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -18.845 3.848 7.660 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -18.694 6.254 8.925 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -17.751 4.878 9.461 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.439 7.532 5.847 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.701 8.558 4.844 1.00 0.00 C ATOM 1588 C GLN A 105 -16.499 9.483 4.684 1.00 0.00 C ATOM 1589 O GLN A 105 -16.096 9.808 3.567 1.00 0.00 O ATOM 1590 CB GLN A 105 -18.938 9.372 5.228 1.00 0.00 C ATOM 1591 CG GLN A 105 -19.656 9.985 4.036 1.00 0.00 C ATOM 1592 CD GLN A 105 -20.195 8.940 3.079 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -20.028 7.739 3.294 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -20.845 9.393 2.013 1.00 0.00 N ATOM 0 H GLN A 105 -18.146 7.467 6.579 1.00 0.00 H new ATOM 0 HA GLN A 105 -17.883 8.061 3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -19.632 8.729 5.769 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -18.642 10.167 5.912 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -20.479 10.605 4.392 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -18.970 10.642 3.502 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -20.960 10.397 1.874 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -21.229 8.737 1.333 1.00 0.00 H new ATOM 1603 N LYS A 106 -15.930 9.905 5.809 1.00 0.00 N ATOM 1604 CA LYS A 106 -14.773 10.792 5.795 1.00 0.00 C ATOM 1605 C LYS A 106 -13.557 10.092 5.196 1.00 0.00 C ATOM 1606 O LYS A 106 -13.011 10.532 4.184 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.452 11.268 7.214 1.00 0.00 C ATOM 1608 CG LYS A 106 -15.561 12.094 7.843 1.00 0.00 C ATOM 1609 CD LYS A 106 -15.373 13.577 7.573 1.00 0.00 C ATOM 1610 CE LYS A 106 -16.126 14.016 6.326 1.00 0.00 C ATOM 1611 NZ LYS A 106 -15.443 15.143 5.634 1.00 0.00 N ATOM 0 H LYS A 106 -16.252 9.647 6.742 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.016 11.655 5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.255 10.400 7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.537 11.860 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -16.525 11.771 7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.581 11.919 8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -15.722 14.151 8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -14.312 13.795 7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -16.219 13.172 5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -17.137 14.317 6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.987 15.413 4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.377 15.957 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.487 14.848 5.350 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.139 8.999 5.826 1.00 0.00 N ATOM 1626 CA VAL A 107 -11.990 8.236 5.353 1.00 0.00 C ATOM 1627 C VAL A 107 -12.095 7.954 3.858 1.00 0.00 C ATOM 1628 O VAL A 107 -11.093 7.957 3.143 1.00 0.00 O ATOM 1629 CB VAL A 107 -11.854 6.901 6.108 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -10.626 6.140 5.630 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -11.791 7.141 7.608 1.00 0.00 C ATOM 0 H VAL A 107 -13.579 8.622 6.665 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.106 8.844 5.544 1.00 0.00 H new ATOM 0 HB VAL A 107 -12.734 6.293 5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.546 5.199 6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.717 5.935 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.734 6.740 5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.695 6.186 8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -10.930 7.768 7.840 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.703 7.641 7.935 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.315 7.712 3.392 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.553 7.430 1.981 1.00 0.00 C ATOM 1643 C LYS A 108 -13.025 8.561 1.103 1.00 0.00 C ATOM 1644 O LYS A 108 -12.166 8.345 0.249 1.00 0.00 O ATOM 1645 CB LYS A 108 -15.048 7.228 1.726 1.00 0.00 C ATOM 1646 CG LYS A 108 -15.408 7.150 0.252 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.814 6.609 0.049 1.00 0.00 C ATOM 1648 CE LYS A 108 -17.312 6.867 -1.364 1.00 0.00 C ATOM 1649 NZ LYS A 108 -17.595 8.311 -1.597 1.00 0.00 N ATOM 0 H LYS A 108 -14.155 7.705 3.971 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.019 6.515 1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.372 6.312 2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.600 8.049 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.330 8.141 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.693 6.510 -0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.825 5.538 0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.491 7.075 0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.566 6.523 -2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -18.217 6.286 -1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -17.900 8.451 -2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.349 8.625 -0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -16.734 8.867 -1.419 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.544 9.765 1.321 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.123 10.928 0.550 1.00 0.00 C ATOM 1665 C GLU A 109 -11.602 11.052 0.537 1.00 0.00 C ATOM 1666 O GLU A 109 -10.967 10.943 -0.513 1.00 0.00 O ATOM 1667 CB GLU A 109 -13.743 12.202 1.126 1.00 0.00 C ATOM 1668 CG GLU A 109 -15.263 12.205 1.100 1.00 0.00 C ATOM 1669 CD GLU A 109 -15.823 12.755 -0.197 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -15.383 13.845 -0.617 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -16.701 12.095 -0.792 1.00 0.00 O ATOM 0 H GLU A 109 -14.256 9.960 2.025 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.469 10.795 -0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.405 12.327 2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.377 13.061 0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -15.627 11.188 1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -15.636 12.800 1.934 1.00 0.00 H new ATOM 1678 N PHE A 110 -11.023 11.279 1.712 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.576 11.419 1.837 1.00 0.00 C ATOM 1680 C PHE A 110 -8.855 10.304 1.084 1.00 0.00 C ATOM 1681 O PHE A 110 -7.870 10.547 0.386 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.167 11.403 3.311 1.00 0.00 C ATOM 1683 CG PHE A 110 -7.681 11.474 3.521 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -6.865 10.414 3.160 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -7.101 12.601 4.080 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.498 10.476 3.351 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -5.734 12.669 4.274 1.00 0.00 C ATOM 1688 CZ PHE A 110 -4.932 11.605 3.910 1.00 0.00 C ATOM 0 H PHE A 110 -11.533 11.370 2.591 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.288 12.374 1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.639 12.244 3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.549 10.494 3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.303 9.528 2.724 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.723 13.435 4.367 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.873 9.643 3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.293 13.553 4.710 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.864 11.656 4.062 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.352 9.081 1.233 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.756 7.927 0.568 1.00 0.00 C ATOM 1700 C LEU A 111 -8.739 8.119 -0.945 1.00 0.00 C ATOM 1701 O LEU A 111 -7.778 7.743 -1.616 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.527 6.655 0.924 1.00 0.00 C ATOM 1703 CG LEU A 111 -9.050 5.906 2.169 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -10.045 4.823 2.554 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.671 5.307 1.935 1.00 0.00 C ATOM 0 H LEU A 111 -10.166 8.863 1.808 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.727 7.830 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.576 6.917 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.477 5.974 0.074 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.981 6.616 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.689 4.301 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.014 5.277 2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.147 4.114 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.347 4.778 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.714 4.610 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.962 6.103 1.708 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.806 8.708 -1.474 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.912 8.951 -2.908 1.00 0.00 C ATOM 1719 C GLN A 112 -8.769 9.836 -3.396 1.00 0.00 C ATOM 1720 O GLN A 112 -8.025 9.461 -4.301 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.255 9.604 -3.238 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.450 8.701 -2.982 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.734 9.250 -3.573 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -13.707 10.110 -4.454 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.867 8.755 -3.089 1.00 0.00 N ATOM 0 H GLN A 112 -10.609 9.026 -0.932 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.848 7.991 -3.420 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.363 10.512 -2.645 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.255 9.905 -4.286 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.253 7.715 -3.404 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.577 8.568 -1.908 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.842 8.043 -2.359 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.763 9.087 -3.447 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.636 11.011 -2.789 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.584 11.949 -3.163 1.00 0.00 C ATOM 1736 C GLU A 113 -6.207 11.305 -3.028 1.00 0.00 C ATOM 1737 O GLU A 113 -5.209 11.839 -3.510 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.659 13.207 -2.295 1.00 0.00 C ATOM 1739 CG GLU A 113 -9.017 13.886 -2.325 1.00 0.00 C ATOM 1740 CD GLU A 113 -9.153 14.869 -3.471 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -8.117 15.239 -4.062 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -10.296 15.268 -3.777 1.00 0.00 O ATOM 0 H GLU A 113 -9.243 11.336 -2.037 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.735 12.227 -4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.417 12.943 -1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.901 13.915 -2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.796 13.128 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.179 14.408 -1.382 1.00 0.00 H new ATOM 1749 N LYS A 114 -6.162 10.153 -2.367 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.910 9.433 -2.167 1.00 0.00 C ATOM 1751 C LYS A 114 -4.725 8.357 -3.231 1.00 0.00 C ATOM 1752 O LYS A 114 -3.603 8.069 -3.649 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.879 8.799 -0.774 1.00 0.00 C ATOM 1754 CG LYS A 114 -3.508 8.286 -0.370 1.00 0.00 C ATOM 1755 CD LYS A 114 -3.567 7.501 0.930 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.197 7.398 1.582 1.00 0.00 C ATOM 1757 NZ LYS A 114 -2.293 7.313 3.065 1.00 0.00 N ATOM 0 H LYS A 114 -6.979 9.698 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.091 10.148 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.213 9.534 -0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.590 7.973 -0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.108 7.652 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.823 9.126 -0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.262 7.984 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.954 6.501 0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.679 6.518 1.201 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.598 8.266 1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.704 8.055 3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.283 7.444 3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.959 6.380 3.382 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.832 7.765 -3.667 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.791 6.720 -4.682 1.00 0.00 C ATOM 1773 C TYR A 115 -6.543 7.150 -5.938 1.00 0.00 C ATOM 1774 O TYR A 115 -5.988 7.153 -7.036 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.391 5.424 -4.134 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.674 4.895 -2.912 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.292 4.978 -2.802 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.380 4.312 -1.867 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -3.633 4.495 -1.688 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -5.730 3.827 -0.748 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.357 3.921 -0.664 1.00 0.00 C ATOM 1782 OH TYR A 115 -3.705 3.440 0.448 1.00 0.00 O ATOM 0 H TYR A 115 -6.769 7.992 -3.333 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.748 6.547 -4.946 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.438 5.595 -3.885 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.369 4.664 -4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.722 5.428 -3.602 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.455 4.237 -1.930 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.558 4.566 -1.619 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.294 3.377 0.056 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.489 4.184 1.048 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.811 7.513 -5.766 1.00 0.00 N ATOM 1793 CA GLU A 116 -8.640 7.945 -6.885 1.00 0.00 C ATOM 1794 C GLU A 116 -7.975 9.089 -7.644 1.00 0.00 C ATOM 1795 O GLU A 116 -7.981 9.119 -8.875 1.00 0.00 O ATOM 1796 CB GLU A 116 -10.019 8.381 -6.387 1.00 0.00 C ATOM 1797 CG GLU A 116 -11.033 7.251 -6.335 1.00 0.00 C ATOM 1798 CD GLU A 116 -12.457 7.734 -6.535 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -12.667 8.629 -7.381 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -13.360 7.217 -5.845 1.00 0.00 O ATOM 0 H GLU A 116 -8.286 7.516 -4.863 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.758 7.101 -7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.917 8.812 -5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.399 9.169 -7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.792 6.516 -7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.957 6.744 -5.373 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.403 10.031 -6.901 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.733 11.178 -7.502 1.00 0.00 C ATOM 1809 C LYS A 117 -5.218 11.043 -7.390 1.00 0.00 C ATOM 1810 O LYS A 117 -4.471 11.653 -8.156 1.00 0.00 O ATOM 1811 CB LYS A 117 -7.191 12.473 -6.827 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.679 12.507 -6.524 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.473 13.070 -7.691 1.00 0.00 C ATOM 1814 CE LYS A 117 -10.888 13.443 -7.274 1.00 0.00 C ATOM 1815 NZ LYS A 117 -11.619 14.148 -8.363 1.00 0.00 N ATOM 0 H LYS A 117 -7.390 10.022 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.000 11.211 -8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.636 12.605 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -6.940 13.317 -7.470 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.028 11.500 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.857 13.113 -5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -8.965 13.950 -8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -9.511 12.335 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.434 12.542 -6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.850 14.080 -6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.579 14.385 -8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -11.112 15.021 -8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -11.677 13.531 -9.198 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.769 10.239 -6.433 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.343 10.020 -6.222 1.00 0.00 C ATOM 1831 C LYS A 118 -2.601 11.348 -6.100 1.00 0.00 C ATOM 1832 O LYS A 118 -1.567 11.553 -6.737 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.756 9.200 -7.373 1.00 0.00 C ATOM 1834 CG LYS A 118 -2.975 7.704 -7.228 1.00 0.00 C ATOM 1835 CD LYS A 118 -1.854 6.911 -7.877 1.00 0.00 C ATOM 1836 CE LYS A 118 -2.286 5.485 -8.186 1.00 0.00 C ATOM 1837 NZ LYS A 118 -1.456 4.875 -9.261 1.00 0.00 N ATOM 0 H LYS A 118 -5.373 9.727 -5.790 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.220 9.468 -5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -3.201 9.535 -8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.686 9.397 -7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -3.040 7.446 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.927 7.429 -7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -1.543 7.405 -8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -0.988 6.895 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -2.213 4.879 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.333 5.480 -8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -1.782 3.904 -9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -1.546 5.438 -10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -0.460 4.856 -8.962 1.00 0.00 H new ATOM 1851 N ARG A 119 -3.135 12.245 -5.279 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.524 13.553 -5.073 1.00 0.00 C ATOM 1853 C ARG A 119 -1.062 13.410 -4.660 1.00 0.00 C ATOM 1854 O ARG A 119 -0.156 13.774 -5.409 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.292 14.338 -4.009 1.00 0.00 C ATOM 1856 CG ARG A 119 -2.994 15.828 -4.017 1.00 0.00 C ATOM 1857 CD ARG A 119 -3.900 16.583 -3.057 1.00 0.00 C ATOM 1858 NE ARG A 119 -3.284 17.818 -2.579 1.00 0.00 N ATOM 1859 CZ ARG A 119 -3.047 18.869 -3.357 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -3.372 18.834 -4.641 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -2.483 19.957 -2.849 1.00 0.00 N ATOM 0 H ARG A 119 -3.990 12.090 -4.745 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.566 14.098 -6.016 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.361 14.189 -4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.050 13.933 -3.026 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -1.952 15.993 -3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.123 16.221 -5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.841 16.817 -3.555 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.139 15.945 -2.207 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.022 17.877 -1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -3.805 17.999 -5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -3.189 19.642 -5.236 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -2.231 19.987 -1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -2.301 20.764 -3.446 1.00 0.00 H new ATOM 1875 N TRP A 120 -0.841 12.880 -3.462 1.00 0.00 N ATOM 1876 CA TRP A 120 0.511 12.690 -2.949 1.00 0.00 C ATOM 1877 C TRP A 120 1.082 11.350 -3.400 1.00 0.00 C ATOM 1878 O TRP A 120 1.522 10.544 -2.580 1.00 0.00 O ATOM 1879 CB TRP A 120 0.514 12.771 -1.421 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.378 13.848 -0.882 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.038 15.147 -0.634 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -1.758 13.717 -0.523 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.123 15.832 -0.142 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.191 14.977 -0.065 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -2.670 12.659 -0.545 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.495 15.204 0.367 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -3.964 12.886 -0.116 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.367 14.150 0.334 1.00 0.00 C ATOM 0 H TRP A 120 -1.580 12.575 -2.828 1.00 0.00 H new ATOM 0 HA TRP A 120 1.140 13.485 -3.350 1.00 0.00 H new ATOM 0 HB2 TRP A 120 0.200 11.811 -1.013 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.533 12.946 -1.075 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.940 15.574 -0.800 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.132 16.817 0.123 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.369 11.681 -0.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.807 16.177 0.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -4.677 12.075 -0.128 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.386 14.295 0.661 1.00 0.00 H new ATOM 1899 N TYR A 121 1.071 11.117 -4.708 1.00 0.00 N ATOM 1900 CA TYR A 121 1.585 9.873 -5.267 1.00 0.00 C ATOM 1901 C TYR A 121 3.030 10.039 -5.727 1.00 0.00 C ATOM 1902 O TYR A 121 3.295 10.608 -6.786 1.00 0.00 O ATOM 1903 CB TYR A 121 0.714 9.417 -6.439 1.00 0.00 C ATOM 1904 CG TYR A 121 1.314 8.278 -7.232 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.751 7.120 -6.600 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.442 8.359 -8.613 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.300 6.077 -7.321 1.00 0.00 C ATOM 1908 CE2 TYR A 121 1.988 7.320 -9.342 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.416 6.182 -8.691 1.00 0.00 C ATOM 1910 OH TYR A 121 2.961 5.144 -9.413 1.00 0.00 O ATOM 0 H TYR A 121 0.712 11.774 -5.401 1.00 0.00 H new ATOM 0 HA TYR A 121 1.556 9.114 -4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.260 9.110 -6.059 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.544 10.263 -7.105 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.660 7.034 -5.527 1.00 0.00 H new ATOM 0 HD2 TYR A 121 1.109 9.249 -9.126 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.636 5.184 -6.814 1.00 0.00 H new ATOM 0 HE2 TYR A 121 2.079 7.399 -10.415 1.00 0.00 H new ATOM 0 HH TYR A 121 2.970 5.377 -10.365 1.00 0.00 H new ATOM 1920 N VAL A 122 3.962 9.538 -4.923 1.00 0.00 N ATOM 1921 CA VAL A 122 5.381 9.628 -5.247 1.00 0.00 C ATOM 1922 C VAL A 122 6.049 8.259 -5.177 1.00 0.00 C ATOM 1923 O VAL A 122 6.367 7.750 -4.103 1.00 0.00 O ATOM 1924 CB VAL A 122 6.113 10.593 -4.296 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.579 10.715 -4.683 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.438 11.957 -4.298 1.00 0.00 C ATOM 0 H VAL A 122 3.760 9.065 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 122 5.450 10.011 -6.265 1.00 0.00 H new ATOM 0 HB VAL A 122 6.061 10.188 -3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.080 11.401 -4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.053 9.735 -4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.656 11.096 -5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.968 12.626 -3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.457 12.371 -5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.404 11.852 -3.969 1.00 0.00 H new ATOM 1936 N PRO A 123 6.267 7.648 -6.351 1.00 0.00 N ATOM 1937 CA PRO A 123 6.900 6.329 -6.450 1.00 0.00 C ATOM 1938 C PRO A 123 8.380 6.368 -6.083 1.00 0.00 C ATOM 1939 O PRO A 123 9.050 7.392 -6.214 1.00 0.00 O ATOM 1940 CB PRO A 123 6.725 5.962 -7.926 1.00 0.00 C ATOM 1941 CG PRO A 123 6.607 7.269 -8.630 1.00 0.00 C ATOM 1942 CD PRO A 123 5.913 8.196 -7.671 1.00 0.00 C ATOM 0 HA PRO A 123 6.455 5.610 -5.762 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.576 5.389 -8.295 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.837 5.348 -8.079 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.589 7.655 -8.904 1.00 0.00 H new ATOM 0 HG3 PRO A 123 6.037 7.165 -9.553 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.258 9.224 -7.785 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.834 8.202 -7.827 1.00 0.00 H new ATOM 1950 N PRO A 124 8.904 5.226 -5.613 1.00 0.00 N ATOM 1951 CA PRO A 124 10.311 5.104 -5.219 1.00 0.00 C ATOM 1952 C PRO A 124 11.255 5.159 -6.415 1.00 0.00 C ATOM 1953 O PRO A 124 12.335 5.743 -6.337 1.00 0.00 O ATOM 1954 CB PRO A 124 10.374 3.728 -4.551 1.00 0.00 C ATOM 1955 CG PRO A 124 9.248 2.962 -5.156 1.00 0.00 C ATOM 1956 CD PRO A 124 8.164 3.966 -5.431 1.00 0.00 C ATOM 0 HA PRO A 124 10.625 5.922 -4.571 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.331 3.240 -4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.263 3.807 -3.470 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.562 2.466 -6.074 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.897 2.184 -4.478 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.591 3.705 -6.320 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.457 4.031 -4.604 1.00 0.00 H new ATOM 1964 N GLU A 125 10.839 4.548 -7.520 1.00 0.00 N ATOM 1965 CA GLU A 125 11.650 4.529 -8.732 1.00 0.00 C ATOM 1966 C GLU A 125 12.251 5.904 -9.007 1.00 0.00 C ATOM 1967 O GLU A 125 13.354 6.015 -9.541 1.00 0.00 O ATOM 1968 CB GLU A 125 10.808 4.080 -9.928 1.00 0.00 C ATOM 1969 CG GLU A 125 10.788 2.574 -10.128 1.00 0.00 C ATOM 1970 CD GLU A 125 10.204 1.835 -8.940 1.00 0.00 C ATOM 1971 OE1 GLU A 125 9.099 2.208 -8.493 1.00 0.00 O ATOM 1972 OE2 GLU A 125 10.853 0.883 -8.456 1.00 0.00 O ATOM 0 H GLU A 125 9.947 4.060 -7.601 1.00 0.00 H new ATOM 0 HA GLU A 125 12.464 3.820 -8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 125 9.786 4.434 -9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 125 11.194 4.553 -10.831 1.00 0.00 H new ATOM 0 HG2 GLU A 125 10.207 2.337 -11.019 1.00 0.00 H new ATOM 0 HG3 GLU A 125 11.804 2.222 -10.307 1.00 0.00 H new ATOM 1979 N GLN A 126 11.516 6.949 -8.638 1.00 0.00 N ATOM 1980 CA GLN A 126 11.976 8.317 -8.846 1.00 0.00 C ATOM 1981 C GLN A 126 12.432 8.943 -7.533 1.00 0.00 C ATOM 1982 O GLN A 126 13.547 9.454 -7.432 1.00 0.00 O ATOM 1983 CB GLN A 126 10.864 9.162 -9.469 1.00 0.00 C ATOM 1984 CG GLN A 126 11.301 10.573 -9.830 1.00 0.00 C ATOM 1985 CD GLN A 126 10.152 11.433 -10.316 1.00 0.00 C ATOM 1986 OE1 GLN A 126 9.961 11.612 -11.520 1.00 0.00 O ATOM 1987 NE2 GLN A 126 9.378 11.972 -9.381 1.00 0.00 N ATOM 0 H GLN A 126 10.601 6.874 -8.194 1.00 0.00 H new ATOM 0 HA GLN A 126 12.826 8.288 -9.528 1.00 0.00 H new ATOM 0 HB2 GLN A 126 10.499 8.663 -10.367 1.00 0.00 H new ATOM 0 HB3 GLN A 126 10.027 9.217 -8.773 1.00 0.00 H new ATOM 0 HG2 GLN A 126 11.758 11.042 -8.958 1.00 0.00 H new ATOM 0 HG3 GLN A 126 12.067 10.525 -10.604 1.00 0.00 H new ATOM 0 HE21 GLN A 126 9.572 11.797 -8.395 1.00 0.00 H new ATOM 0 HE22 GLN A 126 8.589 12.560 -9.649 1.00 0.00 H new