USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 527 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 14 CYS SG : rot -95:sc= -10.8! USER MOD Set 1.2: A 64 CYS SG : rot -64:sc= -17.3! USER MOD Set 2.1: A 23 CYS SG : rot -179:sc= -5.71! USER MOD Set 2.2: A 47 CYS SG : rot 88:sc= -5.26! USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.145) USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= -1.56! (180deg=-1.65!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 165:sc= -2.26! USER MOD Single : A 32 TYR OH : rot 98:sc= 0.01 USER MOD Single : A 33 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.8) USER MOD Single : A 34 ASN : amide:sc= -1.73 K(o=-1.7,f=-7.8!) USER MOD Single : A 35 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 36 THR OG1 : rot 135:sc= -1.14 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -3.48! C(o=-3.5!,f=-4.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 120:sc= -4.5! USER MOD Single : A 50 ASN : amide:sc= -5.38! C(o=-5.4!,f=-13!) USER MOD Single : A 51 MET CE :methyl -159:sc= -1.7 (180deg=-2.21) USER MOD Single : A 52 ASN : amide:sc= -3.19! C(o=-3.2!,f=-5.7!) USER MOD Single : A 53 ASN : amide:sc= -3! C(o=-3!,f=-7.7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.806 USER MOD Single : A 61 LYS NZ :NH3+ -178:sc= -2.7 (180deg=-2.73) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.345 0.000 0.000 1.00 1.00 N ATOM 2 CA ASP A 1 2.115 0.000 -1.232 1.00 1.00 C ATOM 3 C ASP A 1 3.598 0.178 -0.901 1.00 1.00 C ATOM 4 O ASP A 1 4.002 1.310 -0.595 1.00 1.00 O ATOM 5 CB ASP A 1 1.692 1.152 -2.146 1.00 1.00 C ATOM 6 CG ASP A 1 1.766 0.850 -3.644 1.00 1.00 C ATOM 7 OD1 ASP A 1 1.948 -0.393 -3.941 1.00 1.00 O ATOM 8 OD2 ASP A 1 1.655 1.755 -4.484 1.00 1.00 O ATOM 0 H1 ASP A 1 0.336 -0.121 -0.221 1.00 1.00 H new ATOM 0 H2 ASP A 1 1.662 -0.782 0.608 1.00 1.00 H new ATOM 0 H3 ASP A 1 1.485 0.903 0.497 1.00 1.00 H new ATOM 0 HA ASP A 1 1.937 -0.947 -1.741 1.00 1.00 H new ATOM 0 HB2 ASP A 1 0.669 1.436 -1.898 1.00 1.00 H new ATOM 0 HB3 ASP A 1 2.323 2.015 -1.933 1.00 1.00 H new ATOM 13 N TYR A 2 4.367 -0.923 -0.969 1.00 1.00 N ATOM 14 CA TYR A 2 5.784 -0.822 -0.662 1.00 1.00 C ATOM 15 C TYR A 2 6.355 0.436 -1.320 1.00 1.00 C ATOM 16 O TYR A 2 6.983 1.232 -0.608 1.00 1.00 O ATOM 17 CB TYR A 2 6.511 -2.095 -1.130 1.00 1.00 C ATOM 18 CG TYR A 2 5.873 -2.782 -2.330 1.00 1.00 C ATOM 19 CD1 TYR A 2 6.228 -2.389 -3.641 1.00 1.00 C ATOM 20 CD2 TYR A 2 4.930 -3.818 -2.143 1.00 1.00 C ATOM 21 CE1 TYR A 2 5.642 -3.024 -4.756 1.00 1.00 C ATOM 22 CE2 TYR A 2 4.344 -4.454 -3.258 1.00 1.00 C ATOM 23 CZ TYR A 2 4.699 -4.057 -4.566 1.00 1.00 C ATOM 24 OH TYR A 2 4.133 -4.669 -5.648 1.00 1.00 O ATOM 0 H TYR A 2 4.038 -1.854 -1.224 1.00 1.00 H new ATOM 0 HA TYR A 2 5.931 -0.737 0.415 1.00 1.00 H new ATOM 0 HB2 TYR A 2 7.541 -1.839 -1.379 1.00 1.00 H new ATOM 0 HB3 TYR A 2 6.550 -2.802 -0.301 1.00 1.00 H new ATOM 0 HD1 TYR A 2 6.950 -1.600 -3.789 1.00 1.00 H new ATOM 0 HD2 TYR A 2 4.657 -4.124 -1.144 1.00 1.00 H new ATOM 0 HE1 TYR A 2 5.915 -2.720 -5.756 1.00 1.00 H new ATOM 0 HE2 TYR A 2 3.623 -5.245 -3.111 1.00 1.00 H new ATOM 0 HH TYR A 2 3.506 -5.358 -5.343 1.00 1.00 H new ATOM 34 N LYS A 3 6.141 0.584 -2.640 1.00 1.00 N ATOM 35 CA LYS A 3 6.645 1.730 -3.378 1.00 1.00 C ATOM 36 C LYS A 3 8.172 1.762 -3.282 1.00 1.00 C ATOM 37 O LYS A 3 8.746 2.856 -3.379 1.00 1.00 O ATOM 38 CB LYS A 3 5.972 3.016 -2.894 1.00 1.00 C ATOM 39 CG LYS A 3 5.235 3.713 -4.038 1.00 1.00 C ATOM 40 CD LYS A 3 6.223 4.300 -5.049 1.00 1.00 C ATOM 41 CE LYS A 3 5.564 4.479 -6.418 1.00 1.00 C ATOM 42 NZ LYS A 3 5.747 3.272 -7.240 1.00 1.00 N ATOM 0 H LYS A 3 5.620 -0.084 -3.208 1.00 1.00 H new ATOM 0 HA LYS A 3 6.393 1.643 -4.435 1.00 1.00 H new ATOM 0 HB2 LYS A 3 5.270 2.784 -2.093 1.00 1.00 H new ATOM 0 HB3 LYS A 3 6.722 3.688 -2.477 1.00 1.00 H new ATOM 0 HG2 LYS A 3 4.577 3.002 -4.538 1.00 1.00 H new ATOM 0 HG3 LYS A 3 4.603 4.506 -3.639 1.00 1.00 H new ATOM 0 HD2 LYS A 3 6.589 5.261 -4.689 1.00 1.00 H new ATOM 0 HD3 LYS A 3 7.088 3.643 -5.141 1.00 1.00 H new ATOM 0 HE2 LYS A 3 4.501 4.683 -6.292 1.00 1.00 H new ATOM 0 HE3 LYS A 3 5.996 5.341 -6.926 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 5.294 3.410 -8.166 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 6.763 3.095 -7.375 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 5.314 2.457 -6.761 1.00 1.00 H new ATOM 56 N ASP A 4 8.788 0.581 -3.098 1.00 1.00 N ATOM 57 CA ASP A 4 10.233 0.475 -2.991 1.00 1.00 C ATOM 58 C ASP A 4 10.617 -0.987 -2.753 1.00 1.00 C ATOM 59 O ASP A 4 10.391 -1.483 -1.640 1.00 1.00 O ATOM 60 CB ASP A 4 10.760 1.299 -1.814 1.00 1.00 C ATOM 61 CG ASP A 4 10.308 0.819 -0.434 1.00 1.00 C ATOM 62 OD1 ASP A 4 9.157 0.236 -0.410 1.00 1.00 O ATOM 63 OD2 ASP A 4 11.018 0.994 0.567 1.00 1.00 O ATOM 0 H ASP A 4 8.296 -0.309 -3.022 1.00 1.00 H new ATOM 0 HA ASP A 4 10.668 0.850 -3.918 1.00 1.00 H new ATOM 0 HB2 ASP A 4 11.850 1.293 -1.845 1.00 1.00 H new ATOM 0 HB3 ASP A 4 10.443 2.334 -1.944 1.00 1.00 H new ATOM 68 N ASP A 5 11.181 -1.637 -3.787 1.00 1.00 N ATOM 69 CA ASP A 5 11.592 -3.027 -3.691 1.00 1.00 C ATOM 70 C ASP A 5 13.120 -3.104 -3.671 1.00 1.00 C ATOM 71 O ASP A 5 13.719 -3.206 -4.752 1.00 1.00 O ATOM 72 CB ASP A 5 11.093 -3.833 -4.892 1.00 1.00 C ATOM 73 CG ASP A 5 10.907 -3.026 -6.179 1.00 1.00 C ATOM 74 OD1 ASP A 5 11.925 -2.316 -6.530 1.00 1.00 O ATOM 75 OD2 ASP A 5 9.843 -3.075 -6.814 1.00 1.00 O ATOM 0 H ASP A 5 11.358 -1.210 -4.696 1.00 1.00 H new ATOM 0 HA ASP A 5 11.167 -3.441 -2.777 1.00 1.00 H new ATOM 0 HB2 ASP A 5 11.798 -4.641 -5.086 1.00 1.00 H new ATOM 0 HB3 ASP A 5 10.141 -4.296 -4.630 1.00 1.00 H new ATOM 80 N ASP A 6 13.709 -3.054 -2.464 1.00 1.00 N ATOM 81 CA ASP A 6 15.153 -3.117 -2.308 1.00 1.00 C ATOM 82 C ASP A 6 15.816 -2.278 -3.402 1.00 1.00 C ATOM 83 O ASP A 6 16.895 -2.669 -3.872 1.00 1.00 O ATOM 84 CB ASP A 6 15.659 -4.555 -2.442 1.00 1.00 C ATOM 85 CG ASP A 6 15.031 -5.357 -3.583 1.00 1.00 C ATOM 86 OD1 ASP A 6 15.568 -5.170 -4.741 1.00 1.00 O ATOM 87 OD2 ASP A 6 14.078 -6.123 -3.377 1.00 1.00 O ATOM 0 H ASP A 6 13.196 -2.970 -1.586 1.00 1.00 H new ATOM 0 HA ASP A 6 15.403 -2.738 -1.317 1.00 1.00 H new ATOM 0 HB2 ASP A 6 16.739 -4.532 -2.585 1.00 1.00 H new ATOM 0 HB3 ASP A 6 15.473 -5.079 -1.504 1.00 1.00 H new ATOM 92 N ASP A 7 15.170 -1.161 -3.781 1.00 1.00 N ATOM 93 CA ASP A 7 15.694 -0.279 -4.809 1.00 1.00 C ATOM 94 C ASP A 7 15.821 -1.053 -6.123 1.00 1.00 C ATOM 95 O ASP A 7 16.008 -2.277 -6.071 1.00 1.00 O ATOM 96 CB ASP A 7 17.081 0.243 -4.432 1.00 1.00 C ATOM 97 CG ASP A 7 17.862 0.889 -5.578 1.00 1.00 C ATOM 98 OD1 ASP A 7 18.511 0.199 -6.378 1.00 1.00 O ATOM 99 OD2 ASP A 7 17.787 2.176 -5.632 1.00 1.00 O ATOM 0 H ASP A 7 14.282 -0.857 -3.382 1.00 1.00 H new ATOM 0 HA ASP A 7 15.008 0.562 -4.913 1.00 1.00 H new ATOM 0 HB2 ASP A 7 16.972 0.973 -3.630 1.00 1.00 H new ATOM 0 HB3 ASP A 7 17.668 -0.584 -4.033 1.00 1.00 H new ATOM 104 N LYS A 8 15.718 -0.336 -7.256 1.00 1.00 N ATOM 105 CA LYS A 8 15.820 -0.951 -8.569 1.00 1.00 C ATOM 106 C LYS A 8 14.423 -1.343 -9.054 1.00 1.00 C ATOM 107 O LYS A 8 13.443 -0.977 -8.388 1.00 1.00 O ATOM 108 CB LYS A 8 16.809 -2.118 -8.537 1.00 1.00 C ATOM 109 CG LYS A 8 16.077 -3.453 -8.383 1.00 1.00 C ATOM 110 CD LYS A 8 16.940 -4.467 -7.629 1.00 1.00 C ATOM 111 CE LYS A 8 18.379 -4.456 -8.147 1.00 1.00 C ATOM 112 NZ LYS A 8 18.413 -4.777 -9.583 1.00 1.00 N ATOM 0 H LYS A 8 15.564 0.672 -7.277 1.00 1.00 H new ATOM 0 HA LYS A 8 16.221 -0.241 -9.292 1.00 1.00 H new ATOM 0 HB2 LYS A 8 17.398 -2.126 -9.454 1.00 1.00 H new ATOM 0 HB3 LYS A 8 17.508 -1.985 -7.711 1.00 1.00 H new ATOM 0 HG2 LYS A 8 15.140 -3.299 -7.848 1.00 1.00 H new ATOM 0 HG3 LYS A 8 15.821 -3.847 -9.366 1.00 1.00 H new ATOM 0 HD2 LYS A 8 16.932 -4.236 -6.564 1.00 1.00 H new ATOM 0 HD3 LYS A 8 16.517 -5.465 -7.742 1.00 1.00 H new ATOM 0 HE2 LYS A 8 18.825 -3.476 -7.977 1.00 1.00 H new ATOM 0 HE3 LYS A 8 18.977 -5.179 -7.592 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 19.252 -5.356 -9.789 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 17.555 -5.305 -9.841 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 18.456 -3.896 -10.135 1.00 1.00 H new ATOM 126 N LEU A 9 14.359 -2.066 -10.186 1.00 1.00 N ATOM 127 CA LEU A 9 13.094 -2.500 -10.753 1.00 1.00 C ATOM 128 C LEU A 9 13.093 -4.025 -10.880 1.00 1.00 C ATOM 129 O LEU A 9 14.083 -4.575 -11.384 1.00 1.00 O ATOM 130 CB LEU A 9 12.818 -1.773 -12.071 1.00 1.00 C ATOM 131 CG LEU A 9 13.045 -0.260 -12.062 1.00 1.00 C ATOM 132 CD1 LEU A 9 13.577 0.222 -13.413 1.00 1.00 C ATOM 133 CD2 LEU A 9 11.774 0.483 -11.648 1.00 1.00 C ATOM 0 H LEU A 9 15.178 -2.357 -10.719 1.00 1.00 H new ATOM 0 HA LEU A 9 12.270 -2.234 -10.091 1.00 1.00 H new ATOM 0 HB2 LEU A 9 13.450 -2.211 -12.844 1.00 1.00 H new ATOM 0 HB3 LEU A 9 11.784 -1.964 -12.359 1.00 1.00 H new ATOM 0 HG LEU A 9 13.807 -0.033 -11.316 1.00 1.00 H new ATOM 0 HD11 LEU A 9 13.730 1.301 -13.380 1.00 1.00 H new ATOM 0 HD12 LEU A 9 14.524 -0.272 -13.628 1.00 1.00 H new ATOM 0 HD13 LEU A 9 12.856 -0.019 -14.195 1.00 1.00 H new ATOM 0 HD21 LEU A 9 11.963 1.556 -11.650 1.00 1.00 H new ATOM 0 HD22 LEU A 9 10.973 0.254 -12.351 1.00 1.00 H new ATOM 0 HD23 LEU A 9 11.478 0.168 -10.647 1.00 1.00 H new ATOM 145 N LYS A 10 12.001 -4.667 -10.428 1.00 1.00 N ATOM 146 CA LYS A 10 11.876 -6.113 -10.491 1.00 1.00 C ATOM 147 C LYS A 10 10.884 -6.488 -11.594 1.00 1.00 C ATOM 148 O LYS A 10 9.979 -5.687 -11.869 1.00 1.00 O ATOM 149 CB LYS A 10 11.511 -6.679 -9.117 1.00 1.00 C ATOM 150 CG LYS A 10 12.628 -7.574 -8.578 1.00 1.00 C ATOM 151 CD LYS A 10 12.055 -8.834 -7.926 1.00 1.00 C ATOM 152 CE LYS A 10 12.550 -8.981 -6.486 1.00 1.00 C ATOM 153 NZ LYS A 10 13.846 -9.678 -6.455 1.00 1.00 N ATOM 0 H LYS A 10 11.196 -4.195 -10.016 1.00 1.00 H new ATOM 0 HA LYS A 10 12.831 -6.567 -10.754 1.00 1.00 H new ATOM 0 HB2 LYS A 10 11.327 -5.861 -8.420 1.00 1.00 H new ATOM 0 HB3 LYS A 10 10.585 -7.250 -9.189 1.00 1.00 H new ATOM 0 HG2 LYS A 10 13.299 -7.854 -9.390 1.00 1.00 H new ATOM 0 HG3 LYS A 10 13.222 -7.022 -7.850 1.00 1.00 H new ATOM 0 HD2 LYS A 10 10.966 -8.790 -7.937 1.00 1.00 H new ATOM 0 HD3 LYS A 10 12.345 -9.711 -8.505 1.00 1.00 H new ATOM 0 HE2 LYS A 10 12.648 -7.997 -6.027 1.00 1.00 H new ATOM 0 HE3 LYS A 10 11.818 -9.535 -5.898 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 14.079 -9.935 -5.474 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 13.791 -10.540 -7.035 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 14.586 -9.053 -6.834 1.00 1.00 H new ATOM 167 N PRO A 11 11.072 -7.677 -12.193 1.00 1.00 N ATOM 168 CA PRO A 11 10.220 -8.182 -13.257 1.00 1.00 C ATOM 169 C PRO A 11 8.825 -8.521 -12.728 1.00 1.00 C ATOM 170 O PRO A 11 8.683 -9.557 -12.062 1.00 1.00 O ATOM 171 CB PRO A 11 10.957 -9.392 -13.809 1.00 1.00 C ATOM 172 CG PRO A 11 11.957 -9.796 -12.738 1.00 1.00 C ATOM 173 CD PRO A 11 12.060 -8.653 -11.741 1.00 1.00 C ATOM 0 HA PRO A 11 10.045 -7.446 -14.042 1.00 1.00 H new ATOM 0 HB2 PRO A 11 10.265 -10.206 -14.024 1.00 1.00 H new ATOM 0 HB3 PRO A 11 11.463 -9.148 -14.743 1.00 1.00 H new ATOM 0 HG2 PRO A 11 11.634 -10.710 -12.239 1.00 1.00 H new ATOM 0 HG3 PRO A 11 12.930 -10.003 -13.183 1.00 1.00 H new ATOM 0 HD2 PRO A 11 11.847 -8.992 -10.727 1.00 1.00 H new ATOM 0 HD3 PRO A 11 13.063 -8.226 -11.730 1.00 1.00 H new ATOM 181 N ASP A 12 7.840 -7.657 -13.031 1.00 1.00 N ATOM 182 CA ASP A 12 6.471 -7.864 -12.589 1.00 1.00 C ATOM 183 C ASP A 12 5.923 -9.143 -13.225 1.00 1.00 C ATOM 184 O ASP A 12 5.081 -9.800 -12.596 1.00 1.00 O ATOM 185 CB ASP A 12 5.573 -6.701 -13.017 1.00 1.00 C ATOM 186 CG ASP A 12 5.848 -6.153 -14.418 1.00 1.00 C ATOM 187 OD1 ASP A 12 5.950 -6.913 -15.392 1.00 1.00 O ATOM 188 OD2 ASP A 12 5.960 -4.870 -14.490 1.00 1.00 O ATOM 0 H ASP A 12 7.979 -6.810 -13.582 1.00 1.00 H new ATOM 0 HA ASP A 12 6.474 -7.936 -11.501 1.00 1.00 H new ATOM 0 HB2 ASP A 12 4.534 -7.027 -12.968 1.00 1.00 H new ATOM 0 HB3 ASP A 12 5.687 -5.890 -12.297 1.00 1.00 H new ATOM 193 N PHE A 13 6.403 -9.466 -14.439 1.00 1.00 N ATOM 194 CA PHE A 13 5.964 -10.655 -15.149 1.00 1.00 C ATOM 195 C PHE A 13 6.193 -11.884 -14.267 1.00 1.00 C ATOM 196 O PHE A 13 5.502 -12.893 -14.472 1.00 1.00 O ATOM 197 CB PHE A 13 6.749 -10.776 -16.470 1.00 1.00 C ATOM 198 CG PHE A 13 8.216 -11.151 -16.305 1.00 1.00 C ATOM 199 CD1 PHE A 13 8.578 -12.453 -15.890 1.00 1.00 C ATOM 200 CD2 PHE A 13 9.225 -10.194 -16.561 1.00 1.00 C ATOM 201 CE1 PHE A 13 9.938 -12.796 -15.734 1.00 1.00 C ATOM 202 CE2 PHE A 13 10.585 -10.538 -16.405 1.00 1.00 C ATOM 203 CZ PHE A 13 10.941 -11.838 -15.992 1.00 1.00 C ATOM 0 H PHE A 13 7.097 -8.911 -14.940 1.00 1.00 H new ATOM 0 HA PHE A 13 4.901 -10.585 -15.379 1.00 1.00 H new ATOM 0 HB2 PHE A 13 6.265 -11.524 -17.098 1.00 1.00 H new ATOM 0 HB3 PHE A 13 6.688 -9.826 -17.002 1.00 1.00 H new ATOM 0 HD1 PHE A 13 7.811 -13.187 -15.692 1.00 1.00 H new ATOM 0 HD2 PHE A 13 8.954 -9.197 -16.877 1.00 1.00 H new ATOM 0 HE1 PHE A 13 10.211 -13.792 -15.417 1.00 1.00 H new ATOM 0 HE2 PHE A 13 11.353 -9.805 -16.602 1.00 1.00 H new ATOM 0 HZ PHE A 13 11.982 -12.101 -15.873 1.00 1.00 H new ATOM 213 N CYS A 14 7.141 -11.777 -13.320 1.00 1.00 N ATOM 214 CA CYS A 14 7.455 -12.872 -12.418 1.00 1.00 C ATOM 215 C CYS A 14 6.249 -13.146 -11.517 1.00 1.00 C ATOM 216 O CYS A 14 5.953 -14.325 -11.270 1.00 1.00 O ATOM 217 CB CYS A 14 8.718 -12.575 -11.607 1.00 1.00 C ATOM 218 SG CYS A 14 10.276 -12.790 -12.516 1.00 1.00 S ATOM 0 H CYS A 14 7.698 -10.936 -13.168 1.00 1.00 H new ATOM 0 HA CYS A 14 7.664 -13.770 -13.000 1.00 1.00 H new ATOM 0 HB2 CYS A 14 8.665 -11.549 -11.242 1.00 1.00 H new ATOM 0 HB3 CYS A 14 8.732 -13.225 -10.732 1.00 1.00 H new ATOM 0 HG CYS A 14 10.750 -13.979 -12.289 1.00 1.00 H new ATOM 224 N PHE A 15 5.589 -12.071 -11.051 1.00 1.00 N ATOM 225 CA PHE A 15 4.428 -12.196 -10.187 1.00 1.00 C ATOM 226 C PHE A 15 3.187 -12.460 -11.042 1.00 1.00 C ATOM 227 O PHE A 15 2.083 -12.507 -10.480 1.00 1.00 O ATOM 228 CB PHE A 15 4.263 -10.900 -9.369 1.00 1.00 C ATOM 229 CG PHE A 15 5.570 -10.273 -8.902 1.00 1.00 C ATOM 230 CD1 PHE A 15 6.434 -10.983 -8.036 1.00 1.00 C ATOM 231 CD2 PHE A 15 5.923 -8.972 -9.328 1.00 1.00 C ATOM 232 CE1 PHE A 15 7.642 -10.397 -7.602 1.00 1.00 C ATOM 233 CE2 PHE A 15 7.132 -8.387 -8.894 1.00 1.00 C ATOM 234 CZ PHE A 15 7.991 -9.099 -8.031 1.00 1.00 C ATOM 0 H PHE A 15 5.850 -11.109 -11.266 1.00 1.00 H new ATOM 0 HA PHE A 15 4.560 -13.030 -9.498 1.00 1.00 H new ATOM 0 HB2 PHE A 15 3.721 -10.172 -9.973 1.00 1.00 H new ATOM 0 HB3 PHE A 15 3.646 -11.113 -8.496 1.00 1.00 H new ATOM 0 HD1 PHE A 15 6.168 -11.976 -7.706 1.00 1.00 H new ATOM 0 HD2 PHE A 15 5.266 -8.424 -9.987 1.00 1.00 H new ATOM 0 HE1 PHE A 15 8.300 -10.942 -6.941 1.00 1.00 H new ATOM 0 HE2 PHE A 15 7.400 -7.394 -9.223 1.00 1.00 H new ATOM 0 HZ PHE A 15 8.916 -8.651 -7.699 1.00 1.00 H new ATOM 244 N LEU A 16 3.388 -12.623 -12.361 1.00 1.00 N ATOM 245 CA LEU A 16 2.293 -12.880 -13.282 1.00 1.00 C ATOM 246 C LEU A 16 1.891 -14.353 -13.191 1.00 1.00 C ATOM 247 O LEU A 16 2.780 -15.198 -13.014 1.00 1.00 O ATOM 248 CB LEU A 16 2.666 -12.430 -14.696 1.00 1.00 C ATOM 249 CG LEU A 16 1.599 -11.633 -15.450 1.00 1.00 C ATOM 250 CD1 LEU A 16 2.238 -10.550 -16.321 1.00 1.00 C ATOM 251 CD2 LEU A 16 0.693 -12.561 -16.261 1.00 1.00 C ATOM 0 H LEU A 16 4.306 -12.579 -12.804 1.00 1.00 H new ATOM 0 HA LEU A 16 1.417 -12.293 -13.006 1.00 1.00 H new ATOM 0 HB2 LEU A 16 3.570 -11.823 -14.636 1.00 1.00 H new ATOM 0 HB3 LEU A 16 2.914 -13.314 -15.284 1.00 1.00 H new ATOM 0 HG LEU A 16 0.969 -11.127 -14.718 1.00 1.00 H new ATOM 0 HD11 LEU A 16 1.458 -9.998 -16.846 1.00 1.00 H new ATOM 0 HD12 LEU A 16 2.806 -9.865 -15.692 1.00 1.00 H new ATOM 0 HD13 LEU A 16 2.906 -11.014 -17.047 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -0.056 -11.969 -16.787 1.00 1.00 H new ATOM 0 HD22 LEU A 16 1.292 -13.114 -16.984 1.00 1.00 H new ATOM 0 HD23 LEU A 16 0.196 -13.262 -15.590 1.00 1.00 H new ATOM 263 N GLU A 17 0.579 -14.627 -13.310 1.00 1.00 N ATOM 264 CA GLU A 17 0.067 -15.985 -13.242 1.00 1.00 C ATOM 265 C GLU A 17 0.805 -16.856 -14.261 1.00 1.00 C ATOM 266 O GLU A 17 1.276 -16.311 -15.271 1.00 1.00 O ATOM 267 CB GLU A 17 -1.444 -16.028 -13.476 1.00 1.00 C ATOM 268 CG GLU A 17 -2.143 -14.871 -12.759 1.00 1.00 C ATOM 269 CD GLU A 17 -3.593 -15.229 -12.427 1.00 1.00 C ATOM 270 OE1 GLU A 17 -4.110 -16.244 -12.917 1.00 1.00 O ATOM 271 OE2 GLU A 17 -4.187 -14.409 -11.627 1.00 1.00 O ATOM 0 H GLU A 17 -0.138 -13.916 -13.454 1.00 1.00 H new ATOM 0 HA GLU A 17 0.244 -16.376 -12.240 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -1.652 -15.977 -14.545 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -1.844 -16.977 -13.119 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -1.605 -14.628 -11.842 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -2.119 -13.981 -13.388 1.00 1.00 H new ATOM 278 N GLU A 18 0.890 -18.169 -13.982 1.00 1.00 N ATOM 279 CA GLU A 18 1.564 -19.102 -14.868 1.00 1.00 C ATOM 280 C GLU A 18 0.755 -19.249 -16.158 1.00 1.00 C ATOM 281 O GLU A 18 -0.482 -19.214 -16.086 1.00 1.00 O ATOM 282 CB GLU A 18 1.777 -20.460 -14.197 1.00 1.00 C ATOM 283 CG GLU A 18 0.550 -21.357 -14.373 1.00 1.00 C ATOM 284 CD GLU A 18 0.304 -22.201 -13.121 1.00 1.00 C ATOM 285 OE1 GLU A 18 -0.419 -21.635 -12.215 1.00 1.00 O ATOM 286 OE2 GLU A 18 0.788 -23.339 -13.035 1.00 1.00 O ATOM 0 H GLU A 18 0.495 -18.597 -13.145 1.00 1.00 H new ATOM 0 HA GLU A 18 2.552 -18.707 -15.106 1.00 1.00 H new ATOM 0 HB2 GLU A 18 2.653 -20.948 -14.625 1.00 1.00 H new ATOM 0 HB3 GLU A 18 1.978 -20.317 -13.135 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -0.327 -20.743 -14.580 1.00 1.00 H new ATOM 0 HG3 GLU A 18 0.693 -22.010 -15.234 1.00 1.00 H new ATOM 293 N ASP A 19 1.457 -19.407 -17.295 1.00 1.00 N ATOM 294 CA ASP A 19 0.808 -19.558 -18.586 1.00 1.00 C ATOM 295 C ASP A 19 1.515 -20.656 -19.382 1.00 1.00 C ATOM 296 O ASP A 19 2.609 -20.396 -19.904 1.00 1.00 O ATOM 297 CB ASP A 19 0.886 -18.262 -19.396 1.00 1.00 C ATOM 298 CG ASP A 19 0.515 -18.400 -20.874 1.00 1.00 C ATOM 299 OD1 ASP A 19 -0.311 -19.354 -21.142 1.00 1.00 O ATOM 300 OD2 ASP A 19 0.990 -17.634 -21.726 1.00 1.00 O ATOM 0 H ASP A 19 2.476 -19.432 -17.333 1.00 1.00 H new ATOM 0 HA ASP A 19 -0.237 -19.812 -18.410 1.00 1.00 H new ATOM 0 HB2 ASP A 19 0.226 -17.525 -18.939 1.00 1.00 H new ATOM 0 HB3 ASP A 19 1.900 -17.868 -19.327 1.00 1.00 H new ATOM 305 N PRO A 20 0.887 -21.843 -19.459 1.00 1.00 N ATOM 306 CA PRO A 20 1.421 -22.989 -20.175 1.00 1.00 C ATOM 307 C PRO A 20 1.247 -22.821 -21.686 1.00 1.00 C ATOM 308 O PRO A 20 1.882 -23.572 -22.440 1.00 1.00 O ATOM 309 CB PRO A 20 0.668 -24.187 -19.620 1.00 1.00 C ATOM 310 CG PRO A 20 -0.578 -23.624 -18.955 1.00 1.00 C ATOM 311 CD PRO A 20 -0.389 -22.123 -18.806 1.00 1.00 C ATOM 0 HA PRO A 20 2.495 -23.110 -20.033 1.00 1.00 H new ATOM 0 HB2 PRO A 20 0.405 -24.885 -20.414 1.00 1.00 H new ATOM 0 HB3 PRO A 20 1.280 -24.735 -18.903 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -1.462 -23.840 -19.555 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -0.733 -24.088 -17.981 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -1.204 -21.573 -19.277 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -0.370 -21.829 -17.757 1.00 1.00 H new ATOM 319 N GLY A 21 0.403 -21.855 -22.091 1.00 1.00 N ATOM 320 CA GLY A 21 0.150 -21.593 -23.497 1.00 1.00 C ATOM 321 C GLY A 21 -0.985 -22.497 -23.984 1.00 1.00 C ATOM 322 O GLY A 21 -2.039 -22.522 -23.332 1.00 1.00 O ATOM 0 H GLY A 21 -0.111 -21.248 -21.453 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -0.116 -20.546 -23.641 1.00 1.00 H new ATOM 0 HA3 GLY A 21 1.052 -21.776 -24.081 1.00 1.00 H new ATOM 326 N ILE A 22 -0.751 -23.209 -25.100 1.00 1.00 N ATOM 327 CA ILE A 22 -1.747 -24.104 -25.665 1.00 1.00 C ATOM 328 C ILE A 22 -1.117 -25.479 -25.898 1.00 1.00 C ATOM 329 O ILE A 22 -1.502 -26.430 -25.201 1.00 1.00 O ATOM 330 CB ILE A 22 -2.366 -23.491 -26.922 1.00 1.00 C ATOM 331 CG1 ILE A 22 -2.100 -21.986 -26.987 1.00 1.00 C ATOM 332 CG2 ILE A 22 -3.859 -23.814 -27.011 1.00 1.00 C ATOM 333 CD1 ILE A 22 -2.587 -21.399 -28.313 1.00 1.00 C ATOM 0 H ILE A 22 0.125 -23.174 -25.622 1.00 1.00 H new ATOM 0 HA ILE A 22 -2.572 -24.245 -24.967 1.00 1.00 H new ATOM 0 HB ILE A 22 -1.887 -23.940 -27.792 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -2.604 -21.488 -26.158 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -1.033 -21.797 -26.872 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -4.275 -23.367 -27.914 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -3.996 -24.895 -27.045 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -4.371 -23.411 -26.137 1.00 1.00 H new ATOM 0 HD11 ILE A 22 -2.386 -20.328 -28.333 1.00 1.00 H new ATOM 0 HD12 ILE A 22 -2.064 -21.882 -29.139 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -3.659 -21.568 -28.414 1.00 1.00 H new ATOM 345 N CYS A 23 -0.176 -25.556 -26.857 1.00 1.00 N ATOM 346 CA CYS A 23 0.498 -26.803 -27.175 1.00 1.00 C ATOM 347 C CYS A 23 0.606 -27.657 -25.910 1.00 1.00 C ATOM 348 O CYS A 23 1.608 -27.524 -25.193 1.00 1.00 O ATOM 349 CB CYS A 23 1.867 -26.544 -27.808 1.00 1.00 C ATOM 350 SG CYS A 23 1.895 -25.218 -29.049 1.00 1.00 S ATOM 0 H CYS A 23 0.127 -24.761 -27.419 1.00 1.00 H new ATOM 0 HA CYS A 23 -0.087 -27.351 -27.913 1.00 1.00 H new ATOM 0 HB2 CYS A 23 2.576 -26.298 -27.018 1.00 1.00 H new ATOM 0 HB3 CYS A 23 2.216 -27.466 -28.274 1.00 1.00 H new ATOM 0 HG CYS A 23 3.097 -25.098 -29.529 1.00 1.00 H new ATOM 356 N ARG A 24 -0.411 -28.503 -25.666 1.00 1.00 N ATOM 357 CA ARG A 24 -0.429 -29.368 -24.499 1.00 1.00 C ATOM 358 C ARG A 24 0.670 -30.423 -24.634 1.00 1.00 C ATOM 359 O ARG A 24 0.336 -31.607 -24.791 1.00 1.00 O ATOM 360 CB ARG A 24 -1.780 -30.068 -24.337 1.00 1.00 C ATOM 361 CG ARG A 24 -2.283 -30.607 -25.678 1.00 1.00 C ATOM 362 CD ARG A 24 -3.494 -29.812 -26.169 1.00 1.00 C ATOM 363 NE ARG A 24 -4.175 -30.548 -27.258 1.00 1.00 N ATOM 364 CZ ARG A 24 -4.963 -31.628 -27.064 1.00 1.00 C ATOM 365 NH1 ARG A 24 -5.153 -32.078 -25.817 1.00 1.00 N ATOM 366 NH2 ARG A 24 -5.545 -32.240 -28.104 1.00 1.00 N ATOM 0 H ARG A 24 -1.227 -28.597 -26.270 1.00 1.00 H new ATOM 0 HA ARG A 24 -0.259 -28.749 -23.618 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -1.686 -30.887 -23.624 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -2.509 -29.369 -23.926 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -1.484 -30.554 -26.418 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -2.552 -31.658 -25.574 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -4.187 -29.643 -25.345 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -3.176 -28.832 -26.525 1.00 1.00 H new ATOM 0 HE ARG A 24 -4.041 -30.219 -28.214 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -4.706 -31.606 -25.031 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -5.745 -32.892 -25.653 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -5.394 -31.891 -29.051 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -6.139 -33.055 -27.949 1.00 1.00 H new ATOM 380 N GLY A 25 1.939 -29.982 -24.573 1.00 1.00 N ATOM 381 CA GLY A 25 3.074 -30.882 -24.687 1.00 1.00 C ATOM 382 C GLY A 25 3.680 -31.111 -23.301 1.00 1.00 C ATOM 383 O GLY A 25 4.274 -32.178 -23.086 1.00 1.00 O ATOM 0 H GLY A 25 2.193 -29.002 -24.445 1.00 1.00 H new ATOM 0 HA2 GLY A 25 2.758 -31.831 -25.119 1.00 1.00 H new ATOM 0 HA3 GLY A 25 3.822 -30.459 -25.358 1.00 1.00 H new ATOM 387 N TYR A 26 3.522 -30.122 -22.404 1.00 1.00 N ATOM 388 CA TYR A 26 4.078 -30.275 -21.070 1.00 1.00 C ATOM 389 C TYR A 26 5.597 -30.429 -21.170 1.00 1.00 C ATOM 390 O TYR A 26 6.047 -31.494 -21.616 1.00 1.00 O ATOM 391 CB TYR A 26 3.425 -31.481 -20.369 1.00 1.00 C ATOM 392 CG TYR A 26 1.976 -31.263 -19.957 1.00 1.00 C ATOM 393 CD1 TYR A 26 1.367 -30.003 -20.155 1.00 1.00 C ATOM 394 CD2 TYR A 26 1.230 -32.317 -19.381 1.00 1.00 C ATOM 395 CE1 TYR A 26 0.023 -29.796 -19.778 1.00 1.00 C ATOM 396 CE2 TYR A 26 -0.114 -32.110 -19.003 1.00 1.00 C ATOM 397 CZ TYR A 26 -0.719 -30.850 -19.201 1.00 1.00 C ATOM 398 OH TYR A 26 -2.019 -30.646 -18.836 1.00 1.00 O ATOM 0 H TYR A 26 3.032 -29.245 -22.578 1.00 1.00 H new ATOM 0 HA TYR A 26 3.866 -29.390 -20.470 1.00 1.00 H new ATOM 0 HB2 TYR A 26 3.475 -32.343 -21.035 1.00 1.00 H new ATOM 0 HB3 TYR A 26 4.008 -31.729 -19.482 1.00 1.00 H new ATOM 0 HD1 TYR A 26 1.932 -29.196 -20.596 1.00 1.00 H new ATOM 0 HD2 TYR A 26 1.690 -33.283 -19.230 1.00 1.00 H new ATOM 0 HE1 TYR A 26 -0.438 -28.831 -19.931 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -0.680 -32.917 -18.562 1.00 1.00 H new ATOM 0 HH TYR A 26 -2.386 -31.472 -18.456 1.00 1.00 H new ATOM 408 N ILE A 27 6.343 -29.382 -20.773 1.00 1.00 N ATOM 409 CA ILE A 27 7.795 -29.405 -20.832 1.00 1.00 C ATOM 410 C ILE A 27 8.362 -29.122 -19.439 1.00 1.00 C ATOM 411 O ILE A 27 9.517 -28.680 -19.351 1.00 1.00 O ATOM 412 CB ILE A 27 8.303 -28.445 -21.909 1.00 1.00 C ATOM 413 CG1 ILE A 27 7.404 -28.485 -23.147 1.00 1.00 C ATOM 414 CG2 ILE A 27 9.766 -28.732 -22.254 1.00 1.00 C ATOM 415 CD1 ILE A 27 6.725 -27.133 -23.374 1.00 1.00 C ATOM 0 H ILE A 27 5.952 -28.513 -20.409 1.00 1.00 H new ATOM 0 HA ILE A 27 8.149 -30.393 -21.126 1.00 1.00 H new ATOM 0 HB ILE A 27 8.259 -27.431 -21.511 1.00 1.00 H new ATOM 0 HG12 ILE A 27 7.996 -28.750 -24.023 1.00 1.00 H new ATOM 0 HG13 ILE A 27 6.648 -29.261 -23.027 1.00 1.00 H new ATOM 0 HG21 ILE A 27 10.102 -28.035 -23.022 1.00 1.00 H new ATOM 0 HG22 ILE A 27 10.380 -28.612 -21.362 1.00 1.00 H new ATOM 0 HG23 ILE A 27 9.859 -29.753 -22.624 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.092 -27.188 -24.260 1.00 1.00 H new ATOM 0 HD12 ILE A 27 6.115 -26.882 -22.507 1.00 1.00 H new ATOM 0 HD13 ILE A 27 7.484 -26.364 -23.518 1.00 1.00 H new ATOM 427 N THR A 28 7.552 -29.378 -18.396 1.00 1.00 N ATOM 428 CA THR A 28 7.971 -29.152 -17.023 1.00 1.00 C ATOM 429 C THR A 28 8.731 -27.827 -16.938 1.00 1.00 C ATOM 430 O THR A 28 9.970 -27.855 -16.964 1.00 1.00 O ATOM 431 CB THR A 28 8.793 -30.355 -16.559 1.00 1.00 C ATOM 432 OG1 THR A 28 7.860 -31.432 -16.551 1.00 1.00 O ATOM 433 CG2 THR A 28 9.235 -30.235 -15.099 1.00 1.00 C ATOM 0 H THR A 28 6.604 -29.742 -18.490 1.00 1.00 H new ATOM 0 HA THR A 28 7.116 -29.065 -16.352 1.00 1.00 H new ATOM 0 HB THR A 28 9.671 -30.461 -17.197 1.00 1.00 H new ATOM 0 HG1 THR A 28 8.311 -32.253 -16.263 1.00 1.00 H new ATOM 0 HG21 THR A 28 9.815 -31.115 -14.821 1.00 1.00 H new ATOM 0 HG22 THR A 28 9.849 -29.342 -14.977 1.00 1.00 H new ATOM 0 HG23 THR A 28 8.357 -30.162 -14.458 1.00 1.00 H new ATOM 441 N ARG A 29 7.987 -26.711 -16.838 1.00 1.00 N ATOM 442 CA ARG A 29 8.587 -25.390 -16.750 1.00 1.00 C ATOM 443 C ARG A 29 8.414 -24.850 -15.329 1.00 1.00 C ATOM 444 O ARG A 29 7.692 -25.480 -14.543 1.00 1.00 O ATOM 445 CB ARG A 29 7.949 -24.414 -17.741 1.00 1.00 C ATOM 446 CG ARG A 29 8.298 -24.790 -19.182 1.00 1.00 C ATOM 447 CD ARG A 29 9.812 -24.786 -19.399 1.00 1.00 C ATOM 448 NE ARG A 29 10.117 -24.900 -20.843 1.00 1.00 N ATOM 449 CZ ARG A 29 11.134 -25.631 -21.346 1.00 1.00 C ATOM 450 NH1 ARG A 29 11.929 -26.304 -20.504 1.00 1.00 N ATOM 451 NH2 ARG A 29 11.345 -25.684 -22.669 1.00 1.00 N ATOM 0 H ARG A 29 6.967 -26.710 -16.817 1.00 1.00 H new ATOM 0 HA ARG A 29 9.645 -25.482 -16.997 1.00 1.00 H new ATOM 0 HB2 ARG A 29 6.867 -24.416 -17.613 1.00 1.00 H new ATOM 0 HB3 ARG A 29 8.293 -23.401 -17.532 1.00 1.00 H new ATOM 0 HG2 ARG A 29 7.897 -25.777 -19.411 1.00 1.00 H new ATOM 0 HG3 ARG A 29 7.827 -24.087 -19.869 1.00 1.00 H new ATOM 0 HD2 ARG A 29 10.242 -23.868 -18.999 1.00 1.00 H new ATOM 0 HD3 ARG A 29 10.268 -25.614 -18.856 1.00 1.00 H new ATOM 0 HE ARG A 29 9.521 -24.395 -21.499 1.00 1.00 H new ATOM 0 HH11 ARG A 29 11.761 -26.259 -19.499 1.00 1.00 H new ATOM 0 HH12 ARG A 29 12.702 -26.861 -20.868 1.00 1.00 H new ATOM 0 HH21 ARG A 29 10.735 -25.169 -23.304 1.00 1.00 H new ATOM 0 HH22 ARG A 29 12.116 -26.239 -23.041 1.00 1.00 H new ATOM 465 N TYR A 30 9.068 -23.713 -15.033 1.00 1.00 N ATOM 466 CA TYR A 30 8.949 -23.150 -13.699 1.00 1.00 C ATOM 467 C TYR A 30 8.413 -21.721 -13.799 1.00 1.00 C ATOM 468 O TYR A 30 8.500 -21.141 -14.892 1.00 1.00 O ATOM 469 CB TYR A 30 10.313 -23.203 -12.986 1.00 1.00 C ATOM 470 CG TYR A 30 10.900 -24.601 -12.849 1.00 1.00 C ATOM 471 CD1 TYR A 30 11.274 -25.336 -13.998 1.00 1.00 C ATOM 472 CD2 TYR A 30 11.068 -25.175 -11.568 1.00 1.00 C ATOM 473 CE1 TYR A 30 11.814 -26.633 -13.866 1.00 1.00 C ATOM 474 CE2 TYR A 30 11.609 -26.472 -11.436 1.00 1.00 C ATOM 475 CZ TYR A 30 11.983 -27.202 -12.585 1.00 1.00 C ATOM 476 OH TYR A 30 12.507 -28.456 -12.453 1.00 1.00 O ATOM 0 H TYR A 30 9.660 -23.191 -15.679 1.00 1.00 H new ATOM 0 HA TYR A 30 8.246 -23.734 -13.106 1.00 1.00 H new ATOM 0 HB2 TYR A 30 11.019 -22.578 -13.533 1.00 1.00 H new ATOM 0 HB3 TYR A 30 10.206 -22.768 -11.992 1.00 1.00 H new ATOM 0 HD1 TYR A 30 11.146 -24.903 -14.979 1.00 1.00 H new ATOM 0 HD2 TYR A 30 10.781 -24.619 -10.687 1.00 1.00 H new ATOM 0 HE1 TYR A 30 12.098 -27.191 -14.746 1.00 1.00 H new ATOM 0 HE2 TYR A 30 11.737 -26.906 -10.455 1.00 1.00 H new ATOM 0 HH TYR A 30 12.777 -28.601 -11.522 1.00 1.00 H new ATOM 486 N PHE A 31 7.872 -21.192 -12.687 1.00 1.00 N ATOM 487 CA PHE A 31 7.321 -19.848 -12.662 1.00 1.00 C ATOM 488 C PHE A 31 7.292 -19.340 -11.219 1.00 1.00 C ATOM 489 O PHE A 31 7.188 -20.170 -10.304 1.00 1.00 O ATOM 490 CB PHE A 31 5.902 -19.871 -13.263 1.00 1.00 C ATOM 491 CG PHE A 31 4.817 -20.356 -12.311 1.00 1.00 C ATOM 492 CD1 PHE A 31 4.798 -21.705 -11.888 1.00 1.00 C ATOM 493 CD2 PHE A 31 3.828 -19.462 -11.840 1.00 1.00 C ATOM 494 CE1 PHE A 31 3.796 -22.157 -11.002 1.00 1.00 C ATOM 495 CE2 PHE A 31 2.826 -19.914 -10.954 1.00 1.00 C ATOM 496 CZ PHE A 31 2.810 -21.262 -10.536 1.00 1.00 C ATOM 0 H PHE A 31 7.810 -21.686 -11.797 1.00 1.00 H new ATOM 0 HA PHE A 31 7.941 -19.175 -13.255 1.00 1.00 H new ATOM 0 HB2 PHE A 31 5.648 -18.866 -13.600 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.906 -20.511 -14.145 1.00 1.00 H new ATOM 0 HD1 PHE A 31 5.552 -22.392 -12.244 1.00 1.00 H new ATOM 0 HD2 PHE A 31 3.839 -18.430 -12.159 1.00 1.00 H new ATOM 0 HE1 PHE A 31 3.784 -23.188 -10.681 1.00 1.00 H new ATOM 0 HE2 PHE A 31 2.072 -19.229 -10.596 1.00 1.00 H new ATOM 0 HZ PHE A 31 2.043 -21.608 -9.859 1.00 1.00 H new ATOM 506 N TYR A 32 7.383 -18.010 -11.047 1.00 1.00 N ATOM 507 CA TYR A 32 7.366 -17.463 -9.701 1.00 1.00 C ATOM 508 C TYR A 32 5.916 -17.317 -9.233 1.00 1.00 C ATOM 509 O TYR A 32 5.295 -16.299 -9.571 1.00 1.00 O ATOM 510 CB TYR A 32 8.116 -16.119 -9.673 1.00 1.00 C ATOM 511 CG TYR A 32 8.414 -15.591 -8.277 1.00 1.00 C ATOM 512 CD1 TYR A 32 7.448 -14.819 -7.591 1.00 1.00 C ATOM 513 CD2 TYR A 32 9.652 -15.872 -7.655 1.00 1.00 C ATOM 514 CE1 TYR A 32 7.718 -14.330 -6.296 1.00 1.00 C ATOM 515 CE2 TYR A 32 9.923 -15.383 -6.359 1.00 1.00 C ATOM 516 CZ TYR A 32 8.956 -14.611 -5.678 1.00 1.00 C ATOM 517 OH TYR A 32 9.215 -14.134 -4.425 1.00 1.00 O ATOM 0 H TYR A 32 7.466 -17.325 -11.798 1.00 1.00 H new ATOM 0 HA TYR A 32 7.877 -18.138 -9.014 1.00 1.00 H new ATOM 0 HB2 TYR A 32 9.056 -16.231 -10.214 1.00 1.00 H new ATOM 0 HB3 TYR A 32 7.526 -15.377 -10.210 1.00 1.00 H new ATOM 0 HD1 TYR A 32 6.500 -14.603 -8.061 1.00 1.00 H new ATOM 0 HD2 TYR A 32 10.393 -16.463 -8.173 1.00 1.00 H new ATOM 0 HE1 TYR A 32 6.977 -13.740 -5.777 1.00 1.00 H new ATOM 0 HE2 TYR A 32 10.870 -15.599 -5.888 1.00 1.00 H new ATOM 0 HH TYR A 32 9.039 -14.836 -3.765 1.00 1.00 H new ATOM 527 N ASN A 33 5.411 -18.317 -8.489 1.00 1.00 N ATOM 528 CA ASN A 33 4.044 -18.297 -7.997 1.00 1.00 C ATOM 529 C ASN A 33 3.987 -17.491 -6.697 1.00 1.00 C ATOM 530 O ASN A 33 4.701 -17.850 -5.749 1.00 1.00 O ATOM 531 CB ASN A 33 3.545 -19.712 -7.699 1.00 1.00 C ATOM 532 CG ASN A 33 2.019 -19.785 -7.790 1.00 1.00 C ATOM 533 OD1 ASN A 33 1.333 -18.790 -7.955 1.00 1.00 O ATOM 534 ND2 ASN A 33 1.529 -21.016 -7.672 1.00 1.00 N ATOM 0 H ASN A 33 5.940 -19.147 -8.221 1.00 1.00 H new ATOM 0 HA ASN A 33 3.415 -17.848 -8.766 1.00 1.00 H new ATOM 0 HB2 ASN A 33 3.989 -20.414 -8.404 1.00 1.00 H new ATOM 0 HB3 ASN A 33 3.868 -20.013 -6.703 1.00 1.00 H new ATOM 0 HD21 ASN A 33 0.522 -21.171 -7.718 1.00 1.00 H new ATOM 0 HD22 ASN A 33 2.160 -21.805 -7.536 1.00 1.00 H new ATOM 541 N ASN A 34 3.153 -16.437 -6.679 1.00 1.00 N ATOM 542 CA ASN A 34 3.006 -15.591 -5.506 1.00 1.00 C ATOM 543 C ASN A 34 2.306 -16.380 -4.398 1.00 1.00 C ATOM 544 O ASN A 34 2.491 -16.036 -3.222 1.00 1.00 O ATOM 545 CB ASN A 34 2.155 -14.358 -5.819 1.00 1.00 C ATOM 546 CG ASN A 34 0.889 -14.746 -6.585 1.00 1.00 C ATOM 547 OD1 ASN A 34 0.218 -15.717 -6.275 1.00 1.00 O ATOM 548 ND2 ASN A 34 0.601 -13.936 -7.599 1.00 1.00 N ATOM 0 H ASN A 34 2.574 -16.159 -7.471 1.00 1.00 H new ATOM 0 HA ASN A 34 4.000 -15.273 -5.193 1.00 1.00 H new ATOM 0 HB2 ASN A 34 1.883 -13.854 -4.891 1.00 1.00 H new ATOM 0 HB3 ASN A 34 2.738 -13.649 -6.408 1.00 1.00 H new ATOM 0 HD21 ASN A 34 -0.225 -14.110 -8.172 1.00 1.00 H new ATOM 0 HD22 ASN A 34 1.206 -13.141 -7.804 1.00 1.00 H new ATOM 555 N GLN A 35 1.528 -17.406 -4.789 1.00 1.00 N ATOM 556 CA GLN A 35 0.809 -18.233 -3.835 1.00 1.00 C ATOM 557 C GLN A 35 1.771 -18.695 -2.739 1.00 1.00 C ATOM 558 O GLN A 35 1.370 -18.700 -1.566 1.00 1.00 O ATOM 559 CB GLN A 35 0.142 -19.429 -4.519 1.00 1.00 C ATOM 560 CG GLN A 35 -1.128 -19.847 -3.776 1.00 1.00 C ATOM 561 CD GLN A 35 -1.738 -21.105 -4.399 1.00 1.00 C ATOM 562 OE1 GLN A 35 -2.875 -21.121 -4.840 1.00 1.00 O ATOM 563 NE2 GLN A 35 -0.921 -22.154 -4.410 1.00 1.00 N ATOM 0 H GLN A 35 1.389 -17.673 -5.764 1.00 1.00 H new ATOM 0 HA GLN A 35 0.013 -17.638 -3.387 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -0.103 -19.173 -5.550 1.00 1.00 H new ATOM 0 HB3 GLN A 35 0.839 -20.267 -4.556 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -0.896 -20.032 -2.727 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -1.854 -19.034 -3.803 1.00 1.00 H new ATOM 0 HE21 GLN A 35 0.020 -22.072 -4.024 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -1.235 -23.041 -4.805 1.00 1.00 H new ATOM 572 N THR A 36 3.001 -19.067 -3.135 1.00 1.00 N ATOM 573 CA THR A 36 4.008 -19.525 -2.193 1.00 1.00 C ATOM 574 C THR A 36 5.135 -18.493 -2.115 1.00 1.00 C ATOM 575 O THR A 36 6.011 -18.641 -1.252 1.00 1.00 O ATOM 576 CB THR A 36 4.485 -20.914 -2.624 1.00 1.00 C ATOM 577 OG1 THR A 36 4.848 -20.747 -3.992 1.00 1.00 O ATOM 578 CG2 THR A 36 3.348 -21.938 -2.662 1.00 1.00 C ATOM 0 H THR A 36 3.311 -19.055 -4.107 1.00 1.00 H new ATOM 0 HA THR A 36 3.601 -19.619 -1.186 1.00 1.00 H new ATOM 0 HB THR A 36 5.261 -21.259 -1.941 1.00 1.00 H new ATOM 0 HG1 THR A 36 5.709 -21.185 -4.158 1.00 1.00 H new ATOM 0 HG21 THR A 36 3.740 -22.906 -2.974 1.00 1.00 H new ATOM 0 HG22 THR A 36 2.906 -22.028 -1.670 1.00 1.00 H new ATOM 0 HG23 THR A 36 2.587 -21.610 -3.370 1.00 1.00 H new ATOM 586 N LYS A 37 5.090 -17.485 -3.005 1.00 1.00 N ATOM 587 CA LYS A 37 6.100 -16.441 -3.036 1.00 1.00 C ATOM 588 C LYS A 37 7.454 -17.057 -3.392 1.00 1.00 C ATOM 589 O LYS A 37 8.425 -16.811 -2.661 1.00 1.00 O ATOM 590 CB LYS A 37 6.106 -15.662 -1.719 1.00 1.00 C ATOM 591 CG LYS A 37 4.820 -14.849 -1.557 1.00 1.00 C ATOM 592 CD LYS A 37 4.012 -15.337 -0.353 1.00 1.00 C ATOM 593 CE LYS A 37 4.767 -15.084 0.954 1.00 1.00 C ATOM 594 NZ LYS A 37 4.519 -16.174 1.912 1.00 1.00 N ATOM 0 H LYS A 37 4.359 -17.382 -3.709 1.00 1.00 H new ATOM 0 HA LYS A 37 5.868 -15.710 -3.811 1.00 1.00 H new ATOM 0 HB2 LYS A 37 6.211 -16.354 -0.883 1.00 1.00 H new ATOM 0 HB3 LYS A 37 6.968 -14.995 -1.691 1.00 1.00 H new ATOM 0 HG2 LYS A 37 5.065 -13.794 -1.432 1.00 1.00 H new ATOM 0 HG3 LYS A 37 4.217 -14.931 -2.461 1.00 1.00 H new ATOM 0 HD2 LYS A 37 3.049 -14.826 -0.326 1.00 1.00 H new ATOM 0 HD3 LYS A 37 3.805 -16.402 -0.457 1.00 1.00 H new ATOM 0 HE2 LYS A 37 5.835 -15.004 0.754 1.00 1.00 H new ATOM 0 HE3 LYS A 37 4.451 -14.134 1.385 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 5.039 -15.987 2.793 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 3.501 -16.232 2.116 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 4.842 -17.075 1.504 1.00 1.00 H new ATOM 608 N GLN A 38 7.492 -17.834 -4.490 1.00 1.00 N ATOM 609 CA GLN A 38 8.717 -18.478 -4.936 1.00 1.00 C ATOM 610 C GLN A 38 8.474 -19.142 -6.292 1.00 1.00 C ATOM 611 O GLN A 38 7.368 -18.992 -6.832 1.00 1.00 O ATOM 612 CB GLN A 38 9.223 -19.494 -3.910 1.00 1.00 C ATOM 613 CG GLN A 38 10.495 -18.993 -3.224 1.00 1.00 C ATOM 614 CD GLN A 38 10.197 -18.503 -1.805 1.00 1.00 C ATOM 615 OE1 GLN A 38 10.453 -17.365 -1.447 1.00 1.00 O ATOM 616 NE2 GLN A 38 9.643 -19.422 -1.020 1.00 1.00 N ATOM 0 H GLN A 38 6.681 -18.024 -5.078 1.00 1.00 H new ATOM 0 HA GLN A 38 9.493 -17.720 -5.041 1.00 1.00 H new ATOM 0 HB2 GLN A 38 8.451 -19.677 -3.163 1.00 1.00 H new ATOM 0 HB3 GLN A 38 9.422 -20.446 -4.403 1.00 1.00 H new ATOM 0 HG2 GLN A 38 11.233 -19.795 -3.188 1.00 1.00 H new ATOM 0 HG3 GLN A 38 10.932 -18.183 -3.808 1.00 1.00 H new ATOM 0 HE21 GLN A 38 9.455 -20.357 -1.383 1.00 1.00 H new ATOM 0 HE22 GLN A 38 9.406 -19.192 -0.055 1.00 1.00 H new ATOM 625 N CYS A 39 9.493 -19.853 -6.806 1.00 1.00 N ATOM 626 CA CYS A 39 9.390 -20.532 -8.086 1.00 1.00 C ATOM 627 C CYS A 39 8.747 -21.905 -7.879 1.00 1.00 C ATOM 628 O CYS A 39 9.234 -22.662 -7.027 1.00 1.00 O ATOM 629 CB CYS A 39 10.757 -20.639 -8.766 1.00 1.00 C ATOM 630 SG CYS A 39 11.477 -19.053 -9.282 1.00 1.00 S ATOM 0 H CYS A 39 10.395 -19.966 -6.344 1.00 1.00 H new ATOM 0 HA CYS A 39 8.756 -19.949 -8.754 1.00 1.00 H new ATOM 0 HB2 CYS A 39 11.449 -21.131 -8.083 1.00 1.00 H new ATOM 0 HB3 CYS A 39 10.662 -21.281 -9.642 1.00 1.00 H new ATOM 636 N GLU A 40 7.684 -22.194 -8.650 1.00 1.00 N ATOM 637 CA GLU A 40 6.983 -23.464 -8.552 1.00 1.00 C ATOM 638 C GLU A 40 7.017 -24.166 -9.911 1.00 1.00 C ATOM 639 O GLU A 40 6.954 -23.472 -10.936 1.00 1.00 O ATOM 640 CB GLU A 40 5.544 -23.275 -8.067 1.00 1.00 C ATOM 641 CG GLU A 40 5.486 -22.304 -6.886 1.00 1.00 C ATOM 642 CD GLU A 40 4.357 -22.678 -5.924 1.00 1.00 C ATOM 643 OE1 GLU A 40 4.602 -23.689 -5.162 1.00 1.00 O ATOM 644 OE2 GLU A 40 3.303 -22.024 -5.921 1.00 1.00 O ATOM 0 H GLU A 40 7.299 -21.556 -9.347 1.00 1.00 H new ATOM 0 HA GLU A 40 7.487 -24.087 -7.813 1.00 1.00 H new ATOM 0 HB2 GLU A 40 4.928 -22.897 -8.883 1.00 1.00 H new ATOM 0 HB3 GLU A 40 5.127 -24.238 -7.772 1.00 1.00 H new ATOM 0 HG2 GLU A 40 6.438 -22.313 -6.356 1.00 1.00 H new ATOM 0 HG3 GLU A 40 5.335 -21.289 -7.252 1.00 1.00 H new ATOM 651 N ARG A 41 7.113 -25.508 -9.893 1.00 1.00 N ATOM 652 CA ARG A 41 7.154 -26.293 -11.115 1.00 1.00 C ATOM 653 C ARG A 41 5.737 -26.435 -11.673 1.00 1.00 C ATOM 654 O ARG A 41 4.892 -27.034 -10.991 1.00 1.00 O ATOM 655 CB ARG A 41 7.740 -27.685 -10.870 1.00 1.00 C ATOM 656 CG ARG A 41 8.982 -27.917 -11.733 1.00 1.00 C ATOM 657 CD ARG A 41 9.875 -29.003 -11.129 1.00 1.00 C ATOM 658 NE ARG A 41 10.465 -29.829 -12.205 1.00 1.00 N ATOM 659 CZ ARG A 41 11.000 -31.054 -12.012 1.00 1.00 C ATOM 660 NH1 ARG A 41 11.007 -31.573 -10.776 1.00 1.00 N ATOM 661 NH2 ARG A 41 11.516 -31.741 -13.040 1.00 1.00 N ATOM 0 H ARG A 41 7.163 -26.061 -9.038 1.00 1.00 H new ATOM 0 HA ARG A 41 7.795 -25.775 -11.828 1.00 1.00 H new ATOM 0 HB2 ARG A 41 7.999 -27.794 -9.817 1.00 1.00 H new ATOM 0 HB3 ARG A 41 6.990 -28.444 -11.094 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.681 -28.207 -12.740 1.00 1.00 H new ATOM 0 HG3 ARG A 41 9.545 -26.988 -11.824 1.00 1.00 H new ATOM 0 HD2 ARG A 41 10.666 -28.546 -10.535 1.00 1.00 H new ATOM 0 HD3 ARG A 41 9.293 -29.631 -10.455 1.00 1.00 H new ATOM 0 HE ARG A 41 10.468 -29.450 -13.152 1.00 1.00 H new ATOM 0 HH11 ARG A 41 10.612 -31.044 -9.998 1.00 1.00 H new ATOM 0 HH12 ARG A 41 11.407 -32.497 -10.613 1.00 1.00 H new ATOM 0 HH21 ARG A 41 11.507 -31.339 -13.978 1.00 1.00 H new ATOM 0 HH22 ARG A 41 11.918 -32.666 -12.885 1.00 1.00 H new ATOM 675 N PHE A 42 5.508 -25.889 -12.880 1.00 1.00 N ATOM 676 CA PHE A 42 4.205 -25.955 -13.521 1.00 1.00 C ATOM 677 C PHE A 42 4.373 -26.443 -14.961 1.00 1.00 C ATOM 678 O PHE A 42 5.421 -26.161 -15.561 1.00 1.00 O ATOM 679 CB PHE A 42 3.553 -24.559 -13.489 1.00 1.00 C ATOM 680 CG PHE A 42 3.956 -23.644 -14.639 1.00 1.00 C ATOM 681 CD1 PHE A 42 5.263 -23.108 -14.693 1.00 1.00 C ATOM 682 CD2 PHE A 42 3.030 -23.330 -15.660 1.00 1.00 C ATOM 683 CE1 PHE A 42 5.641 -22.264 -15.759 1.00 1.00 C ATOM 684 CE2 PHE A 42 3.408 -22.486 -16.726 1.00 1.00 C ATOM 685 CZ PHE A 42 4.713 -21.952 -16.775 1.00 1.00 C ATOM 0 H PHE A 42 6.218 -25.398 -13.424 1.00 1.00 H new ATOM 0 HA PHE A 42 3.560 -26.655 -12.990 1.00 1.00 H new ATOM 0 HB2 PHE A 42 2.470 -24.678 -13.499 1.00 1.00 H new ATOM 0 HB3 PHE A 42 3.811 -24.073 -12.548 1.00 1.00 H new ATOM 0 HD1 PHE A 42 5.975 -23.345 -13.916 1.00 1.00 H new ATOM 0 HD2 PHE A 42 2.030 -23.737 -15.624 1.00 1.00 H new ATOM 0 HE1 PHE A 42 6.641 -21.857 -15.797 1.00 1.00 H new ATOM 0 HE2 PHE A 42 2.698 -22.249 -17.505 1.00 1.00 H new ATOM 0 HZ PHE A 42 5.002 -21.305 -17.590 1.00 1.00 H new ATOM 695 N LYS A 43 3.356 -27.155 -15.478 1.00 1.00 N ATOM 696 CA LYS A 43 3.391 -27.676 -16.834 1.00 1.00 C ATOM 697 C LYS A 43 3.479 -26.511 -17.821 1.00 1.00 C ATOM 698 O LYS A 43 3.176 -25.376 -17.423 1.00 1.00 O ATOM 699 CB LYS A 43 2.200 -28.604 -17.082 1.00 1.00 C ATOM 700 CG LYS A 43 2.664 -30.047 -17.291 1.00 1.00 C ATOM 701 CD LYS A 43 3.121 -30.673 -15.972 1.00 1.00 C ATOM 702 CE LYS A 43 1.953 -31.353 -15.254 1.00 1.00 C ATOM 703 NZ LYS A 43 2.446 -32.194 -14.151 1.00 1.00 N ATOM 0 H LYS A 43 2.502 -27.377 -14.966 1.00 1.00 H new ATOM 0 HA LYS A 43 4.280 -28.289 -16.984 1.00 1.00 H new ATOM 0 HB2 LYS A 43 1.515 -28.557 -16.235 1.00 1.00 H new ATOM 0 HB3 LYS A 43 1.647 -28.266 -17.958 1.00 1.00 H new ATOM 0 HG2 LYS A 43 1.851 -30.636 -17.715 1.00 1.00 H new ATOM 0 HG3 LYS A 43 3.482 -30.069 -18.011 1.00 1.00 H new ATOM 0 HD2 LYS A 43 3.908 -31.402 -16.165 1.00 1.00 H new ATOM 0 HD3 LYS A 43 3.549 -29.904 -15.329 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.268 -30.599 -14.866 1.00 1.00 H new ATOM 0 HE3 LYS A 43 1.389 -31.963 -15.960 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 1.641 -32.648 -13.674 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 3.082 -32.925 -14.529 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 2.964 -31.604 -13.469 1.00 1.00 H new ATOM 717 N TYR A 44 3.885 -26.808 -19.069 1.00 1.00 N ATOM 718 CA TYR A 44 3.994 -25.745 -20.053 1.00 1.00 C ATOM 719 C TYR A 44 3.307 -26.182 -21.348 1.00 1.00 C ATOM 720 O TYR A 44 3.985 -26.216 -22.385 1.00 1.00 O ATOM 721 CB TYR A 44 5.477 -25.395 -20.281 1.00 1.00 C ATOM 722 CG TYR A 44 5.734 -24.483 -21.473 1.00 1.00 C ATOM 723 CD1 TYR A 44 4.720 -23.608 -21.926 1.00 1.00 C ATOM 724 CD2 TYR A 44 6.986 -24.501 -22.130 1.00 1.00 C ATOM 725 CE1 TYR A 44 4.955 -22.760 -23.028 1.00 1.00 C ATOM 726 CE2 TYR A 44 7.221 -23.652 -23.233 1.00 1.00 C ATOM 727 CZ TYR A 44 6.205 -22.781 -23.683 1.00 1.00 C ATOM 728 OH TYR A 44 6.428 -21.958 -24.751 1.00 1.00 O ATOM 0 H TYR A 44 4.132 -27.741 -19.400 1.00 1.00 H new ATOM 0 HA TYR A 44 3.495 -24.846 -19.692 1.00 1.00 H new ATOM 0 HB2 TYR A 44 5.867 -24.916 -19.383 1.00 1.00 H new ATOM 0 HB3 TYR A 44 6.038 -26.319 -20.419 1.00 1.00 H new ATOM 0 HD1 TYR A 44 3.763 -23.589 -21.427 1.00 1.00 H new ATOM 0 HD2 TYR A 44 7.765 -25.166 -21.787 1.00 1.00 H new ATOM 0 HE1 TYR A 44 4.177 -22.094 -23.371 1.00 1.00 H new ATOM 0 HE2 TYR A 44 8.178 -23.669 -23.733 1.00 1.00 H new ATOM 0 HH TYR A 44 7.178 -21.359 -24.552 1.00 1.00 H new ATOM 738 N GLY A 45 2.005 -26.511 -21.267 1.00 1.00 N ATOM 739 CA GLY A 45 1.248 -26.951 -22.426 1.00 1.00 C ATOM 740 C GLY A 45 1.139 -25.799 -23.426 1.00 1.00 C ATOM 741 O GLY A 45 0.029 -25.277 -23.606 1.00 1.00 O ATOM 0 H GLY A 45 1.465 -26.476 -20.403 1.00 1.00 H new ATOM 0 HA2 GLY A 45 1.738 -27.806 -22.891 1.00 1.00 H new ATOM 0 HA3 GLY A 45 0.254 -27.279 -22.122 1.00 1.00 H new ATOM 745 N GLY A 46 2.274 -25.431 -24.048 1.00 1.00 N ATOM 746 CA GLY A 46 2.305 -24.351 -25.019 1.00 1.00 C ATOM 747 C GLY A 46 3.684 -24.305 -25.680 1.00 1.00 C ATOM 748 O GLY A 46 4.594 -24.992 -25.194 1.00 1.00 O ATOM 0 H GLY A 46 3.178 -25.875 -23.886 1.00 1.00 H new ATOM 0 HA2 GLY A 46 1.532 -24.502 -25.773 1.00 1.00 H new ATOM 0 HA3 GLY A 46 2.092 -23.401 -24.530 1.00 1.00 H new ATOM 752 N CYS A 47 3.809 -23.508 -26.756 1.00 1.00 N ATOM 753 CA CYS A 47 5.066 -23.375 -27.473 1.00 1.00 C ATOM 754 C CYS A 47 5.662 -21.993 -27.198 1.00 1.00 C ATOM 755 O CYS A 47 6.830 -21.774 -27.549 1.00 1.00 O ATOM 756 CB CYS A 47 4.877 -23.627 -28.970 1.00 1.00 C ATOM 757 SG CYS A 47 4.498 -25.349 -29.411 1.00 1.00 S ATOM 0 H CYS A 47 3.046 -22.950 -27.140 1.00 1.00 H new ATOM 0 HA CYS A 47 5.766 -24.131 -27.116 1.00 1.00 H new ATOM 0 HB2 CYS A 47 4.072 -22.988 -29.333 1.00 1.00 H new ATOM 0 HB3 CYS A 47 5.784 -23.324 -29.493 1.00 1.00 H new ATOM 0 HG CYS A 47 3.212 -25.535 -29.368 1.00 1.00 H new ATOM 763 N LEU A 48 4.860 -21.103 -26.586 1.00 1.00 N ATOM 764 CA LEU A 48 5.306 -19.757 -26.269 1.00 1.00 C ATOM 765 C LEU A 48 4.245 -19.062 -25.413 1.00 1.00 C ATOM 766 O LEU A 48 3.563 -18.165 -25.931 1.00 1.00 O ATOM 767 CB LEU A 48 5.660 -18.994 -27.547 1.00 1.00 C ATOM 768 CG LEU A 48 6.731 -17.910 -27.406 1.00 1.00 C ATOM 769 CD1 LEU A 48 7.950 -18.227 -28.275 1.00 1.00 C ATOM 770 CD2 LEU A 48 6.153 -16.527 -27.712 1.00 1.00 C ATOM 0 H LEU A 48 3.900 -21.303 -26.305 1.00 1.00 H new ATOM 0 HA LEU A 48 6.223 -19.789 -25.680 1.00 1.00 H new ATOM 0 HB2 LEU A 48 5.995 -19.713 -28.295 1.00 1.00 H new ATOM 0 HB3 LEU A 48 4.752 -18.532 -27.934 1.00 1.00 H new ATOM 0 HG LEU A 48 7.070 -17.896 -26.370 1.00 1.00 H new ATOM 0 HD11 LEU A 48 8.696 -17.441 -28.156 1.00 1.00 H new ATOM 0 HD12 LEU A 48 8.377 -19.182 -27.968 1.00 1.00 H new ATOM 0 HD13 LEU A 48 7.647 -18.284 -29.320 1.00 1.00 H new ATOM 0 HD21 LEU A 48 6.934 -15.774 -27.605 1.00 1.00 H new ATOM 0 HD22 LEU A 48 5.771 -16.510 -28.733 1.00 1.00 H new ATOM 0 HD23 LEU A 48 5.342 -16.310 -27.017 1.00 1.00 H new ATOM 782 N GLY A 49 4.128 -19.482 -24.140 1.00 1.00 N ATOM 783 CA GLY A 49 3.159 -18.904 -23.225 1.00 1.00 C ATOM 784 C GLY A 49 3.600 -17.487 -22.850 1.00 1.00 C ATOM 785 O GLY A 49 4.015 -16.742 -23.749 1.00 1.00 O ATOM 0 H GLY A 49 4.699 -20.222 -23.732 1.00 1.00 H new ATOM 0 HA2 GLY A 49 2.173 -18.880 -23.689 1.00 1.00 H new ATOM 0 HA3 GLY A 49 3.075 -19.520 -22.330 1.00 1.00 H new ATOM 789 N ASN A 50 3.503 -17.150 -21.551 1.00 1.00 N ATOM 790 CA ASN A 50 3.890 -15.837 -21.066 1.00 1.00 C ATOM 791 C ASN A 50 5.391 -15.828 -20.769 1.00 1.00 C ATOM 792 O ASN A 50 6.081 -16.767 -21.192 1.00 1.00 O ATOM 793 CB ASN A 50 3.150 -15.488 -19.772 1.00 1.00 C ATOM 794 CG ASN A 50 3.612 -16.381 -18.619 1.00 1.00 C ATOM 795 OD1 ASN A 50 4.580 -17.116 -18.719 1.00 1.00 O ATOM 796 ND2 ASN A 50 2.867 -16.276 -17.522 1.00 1.00 N ATOM 0 H ASN A 50 3.158 -17.779 -20.826 1.00 1.00 H new ATOM 0 HA ASN A 50 3.638 -15.106 -21.835 1.00 1.00 H new ATOM 0 HB2 ASN A 50 3.325 -14.442 -19.519 1.00 1.00 H new ATOM 0 HB3 ASN A 50 2.076 -15.605 -19.920 1.00 1.00 H new ATOM 0 HD21 ASN A 50 3.093 -16.831 -16.697 1.00 1.00 H new ATOM 0 HD22 ASN A 50 2.069 -15.640 -17.506 1.00 1.00 H new ATOM 803 N MET A 51 5.858 -14.786 -20.060 1.00 1.00 N ATOM 804 CA MET A 51 7.264 -14.659 -19.712 1.00 1.00 C ATOM 805 C MET A 51 7.548 -15.476 -18.450 1.00 1.00 C ATOM 806 O MET A 51 8.669 -15.988 -18.319 1.00 1.00 O ATOM 807 CB MET A 51 7.620 -13.193 -19.462 1.00 1.00 C ATOM 808 CG MET A 51 6.876 -12.274 -20.433 1.00 1.00 C ATOM 809 SD MET A 51 8.039 -11.111 -21.204 1.00 1.00 S ATOM 810 CE MET A 51 8.828 -10.424 -19.718 1.00 1.00 C ATOM 0 H MET A 51 5.272 -14.023 -19.721 1.00 1.00 H new ATOM 0 HA MET A 51 7.869 -15.031 -20.539 1.00 1.00 H new ATOM 0 HB2 MET A 51 7.368 -12.924 -18.436 1.00 1.00 H new ATOM 0 HB3 MET A 51 8.695 -13.052 -19.574 1.00 1.00 H new ATOM 0 HG2 MET A 51 6.380 -12.868 -21.201 1.00 1.00 H new ATOM 0 HG3 MET A 51 6.098 -11.725 -19.903 1.00 1.00 H new ATOM 0 HE1 MET A 51 9.281 -9.462 -19.958 1.00 1.00 H new ATOM 0 HE2 MET A 51 8.079 -10.288 -18.938 1.00 1.00 H new ATOM 0 HE3 MET A 51 9.599 -11.109 -19.365 1.00 1.00 H new ATOM 820 N ASN A 52 6.543 -15.581 -17.562 1.00 1.00 N ATOM 821 CA ASN A 52 6.685 -16.329 -16.324 1.00 1.00 C ATOM 822 C ASN A 52 6.584 -17.826 -16.623 1.00 1.00 C ATOM 823 O ASN A 52 5.698 -18.482 -16.057 1.00 1.00 O ATOM 824 CB ASN A 52 5.576 -15.969 -15.333 1.00 1.00 C ATOM 825 CG ASN A 52 6.032 -16.202 -13.891 1.00 1.00 C ATOM 826 OD1 ASN A 52 7.163 -15.935 -13.520 1.00 1.00 O ATOM 827 ND2 ASN A 52 5.091 -16.712 -13.102 1.00 1.00 N ATOM 0 H ASN A 52 5.626 -15.152 -17.690 1.00 1.00 H new ATOM 0 HA ASN A 52 7.653 -16.080 -15.889 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.291 -14.925 -15.464 1.00 1.00 H new ATOM 0 HB3 ASN A 52 4.690 -16.569 -15.539 1.00 1.00 H new ATOM 0 HD21 ASN A 52 5.296 -16.903 -12.121 1.00 1.00 H new ATOM 0 HD22 ASN A 52 4.164 -16.912 -13.477 1.00 1.00 H new ATOM 834 N ASN A 53 7.480 -18.328 -17.492 1.00 1.00 N ATOM 835 CA ASN A 53 7.491 -19.733 -17.860 1.00 1.00 C ATOM 836 C ASN A 53 8.939 -20.198 -18.036 1.00 1.00 C ATOM 837 O ASN A 53 9.290 -20.629 -19.144 1.00 1.00 O ATOM 838 CB ASN A 53 6.758 -19.962 -19.183 1.00 1.00 C ATOM 839 CG ASN A 53 6.912 -21.410 -19.653 1.00 1.00 C ATOM 840 OD1 ASN A 53 6.413 -22.343 -19.045 1.00 1.00 O ATOM 841 ND2 ASN A 53 7.629 -21.545 -20.764 1.00 1.00 N ATOM 0 H ASN A 53 8.203 -17.770 -17.947 1.00 1.00 H new ATOM 0 HA ASN A 53 6.991 -20.292 -17.069 1.00 1.00 H new ATOM 0 HB2 ASN A 53 5.701 -19.726 -19.062 1.00 1.00 H new ATOM 0 HB3 ASN A 53 7.151 -19.286 -19.942 1.00 1.00 H new ATOM 0 HD21 ASN A 53 7.790 -22.472 -21.158 1.00 1.00 H new ATOM 0 HD22 ASN A 53 8.018 -20.721 -21.223 1.00 1.00 H new ATOM 848 N PHE A 54 9.736 -20.104 -16.957 1.00 1.00 N ATOM 849 CA PHE A 54 11.130 -20.512 -16.992 1.00 1.00 C ATOM 850 C PHE A 54 11.210 -22.021 -17.236 1.00 1.00 C ATOM 851 O PHE A 54 10.158 -22.678 -17.214 1.00 1.00 O ATOM 852 CB PHE A 54 11.802 -20.139 -15.656 1.00 1.00 C ATOM 853 CG PHE A 54 11.685 -18.669 -15.276 1.00 1.00 C ATOM 854 CD1 PHE A 54 10.569 -18.207 -14.541 1.00 1.00 C ATOM 855 CD2 PHE A 54 12.692 -17.754 -15.663 1.00 1.00 C ATOM 856 CE1 PHE A 54 10.462 -16.843 -14.194 1.00 1.00 C ATOM 857 CE2 PHE A 54 12.585 -16.391 -15.316 1.00 1.00 C ATOM 858 CZ PHE A 54 11.470 -15.935 -14.582 1.00 1.00 C ATOM 0 H PHE A 54 9.427 -19.747 -16.053 1.00 1.00 H new ATOM 0 HA PHE A 54 11.651 -20.000 -17.801 1.00 1.00 H new ATOM 0 HB2 PHE A 54 11.362 -20.742 -14.862 1.00 1.00 H new ATOM 0 HB3 PHE A 54 12.858 -20.404 -15.709 1.00 1.00 H new ATOM 0 HD1 PHE A 54 9.796 -18.900 -14.244 1.00 1.00 H new ATOM 0 HD2 PHE A 54 13.546 -18.100 -16.226 1.00 1.00 H new ATOM 0 HE1 PHE A 54 9.609 -16.494 -13.631 1.00 1.00 H new ATOM 0 HE2 PHE A 54 13.357 -15.696 -15.612 1.00 1.00 H new ATOM 0 HZ PHE A 54 11.388 -14.891 -14.317 1.00 1.00 H new ATOM 868 N GLU A 55 12.434 -22.531 -17.460 1.00 1.00 N ATOM 869 CA GLU A 55 12.644 -23.947 -17.706 1.00 1.00 C ATOM 870 C GLU A 55 13.277 -24.587 -16.468 1.00 1.00 C ATOM 871 O GLU A 55 13.070 -25.790 -16.255 1.00 1.00 O ATOM 872 CB GLU A 55 13.510 -24.180 -18.946 1.00 1.00 C ATOM 873 CG GLU A 55 13.026 -23.327 -20.120 1.00 1.00 C ATOM 874 CD GLU A 55 13.743 -23.718 -21.414 1.00 1.00 C ATOM 875 OE1 GLU A 55 13.699 -24.890 -21.817 1.00 1.00 O ATOM 876 OE2 GLU A 55 14.361 -22.754 -22.008 1.00 1.00 O ATOM 0 H GLU A 55 13.287 -21.972 -17.473 1.00 1.00 H new ATOM 0 HA GLU A 55 11.679 -24.415 -17.900 1.00 1.00 H new ATOM 0 HB2 GLU A 55 14.548 -23.938 -18.720 1.00 1.00 H new ATOM 0 HB3 GLU A 55 13.481 -25.234 -19.221 1.00 1.00 H new ATOM 0 HG2 GLU A 55 11.950 -23.450 -20.245 1.00 1.00 H new ATOM 0 HG3 GLU A 55 13.203 -22.273 -19.906 1.00 1.00 H new ATOM 883 N THR A 56 14.023 -23.782 -15.690 1.00 1.00 N ATOM 884 CA THR A 56 14.678 -24.267 -14.486 1.00 1.00 C ATOM 885 C THR A 56 14.276 -23.385 -13.302 1.00 1.00 C ATOM 886 O THR A 56 14.073 -22.179 -13.507 1.00 1.00 O ATOM 887 CB THR A 56 16.188 -24.303 -14.732 1.00 1.00 C ATOM 888 OG1 THR A 56 16.437 -23.152 -15.533 1.00 1.00 O ATOM 889 CG2 THR A 56 16.608 -25.475 -15.623 1.00 1.00 C ATOM 0 H THR A 56 14.181 -22.793 -15.884 1.00 1.00 H new ATOM 0 HA THR A 56 14.365 -25.282 -14.240 1.00 1.00 H new ATOM 0 HB THR A 56 16.710 -24.367 -13.777 1.00 1.00 H new ATOM 0 HG1 THR A 56 17.394 -23.097 -15.738 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.688 -25.454 -15.766 1.00 1.00 H new ATOM 0 HG22 THR A 56 16.323 -26.414 -15.148 1.00 1.00 H new ATOM 0 HG23 THR A 56 16.112 -25.393 -16.590 1.00 1.00 H new ATOM 897 N LEU A 57 14.172 -23.993 -12.107 1.00 1.00 N ATOM 898 CA LEU A 57 13.798 -23.267 -10.905 1.00 1.00 C ATOM 899 C LEU A 57 14.812 -22.149 -10.653 1.00 1.00 C ATOM 900 O LEU A 57 14.388 -21.000 -10.465 1.00 1.00 O ATOM 901 CB LEU A 57 13.639 -24.230 -9.726 1.00 1.00 C ATOM 902 CG LEU A 57 13.140 -23.612 -8.418 1.00 1.00 C ATOM 903 CD1 LEU A 57 11.617 -23.716 -8.309 1.00 1.00 C ATOM 904 CD2 LEU A 57 13.845 -24.237 -7.213 1.00 1.00 C ATOM 0 H LEU A 57 14.344 -24.987 -11.960 1.00 1.00 H new ATOM 0 HA LEU A 57 12.825 -22.792 -11.034 1.00 1.00 H new ATOM 0 HB2 LEU A 57 12.947 -25.020 -10.019 1.00 1.00 H new ATOM 0 HB3 LEU A 57 14.602 -24.704 -9.537 1.00 1.00 H new ATOM 0 HG LEU A 57 13.391 -22.551 -8.423 1.00 1.00 H new ATOM 0 HD11 LEU A 57 11.288 -23.270 -7.371 1.00 1.00 H new ATOM 0 HD12 LEU A 57 11.156 -23.188 -9.143 1.00 1.00 H new ATOM 0 HD13 LEU A 57 11.321 -24.765 -8.335 1.00 1.00 H new ATOM 0 HD21 LEU A 57 13.472 -23.780 -6.296 1.00 1.00 H new ATOM 0 HD22 LEU A 57 13.647 -25.309 -7.191 1.00 1.00 H new ATOM 0 HD23 LEU A 57 14.919 -24.068 -7.292 1.00 1.00 H new ATOM 916 N GLU A 58 16.110 -22.502 -10.653 1.00 1.00 N ATOM 917 CA GLU A 58 17.171 -21.536 -10.426 1.00 1.00 C ATOM 918 C GLU A 58 16.997 -20.359 -11.389 1.00 1.00 C ATOM 919 O GLU A 58 17.005 -19.210 -10.924 1.00 1.00 O ATOM 920 CB GLU A 58 18.553 -22.172 -10.582 1.00 1.00 C ATOM 921 CG GLU A 58 19.543 -21.586 -9.573 1.00 1.00 C ATOM 922 CD GLU A 58 20.930 -22.209 -9.740 1.00 1.00 C ATOM 923 OE1 GLU A 58 21.041 -23.376 -10.145 1.00 1.00 O ATOM 924 OE2 GLU A 58 21.916 -21.436 -9.434 1.00 1.00 O ATOM 0 H GLU A 58 16.438 -23.455 -10.809 1.00 1.00 H new ATOM 0 HA GLU A 58 17.102 -21.175 -9.400 1.00 1.00 H new ATOM 0 HB2 GLU A 58 18.479 -23.250 -10.440 1.00 1.00 H new ATOM 0 HB3 GLU A 58 18.921 -22.008 -11.595 1.00 1.00 H new ATOM 0 HG2 GLU A 58 19.607 -20.506 -9.706 1.00 1.00 H new ATOM 0 HG3 GLU A 58 19.181 -21.761 -8.560 1.00 1.00 H new ATOM 931 N GLU A 59 16.846 -20.663 -12.691 1.00 1.00 N ATOM 932 CA GLU A 59 16.673 -19.638 -13.706 1.00 1.00 C ATOM 933 C GLU A 59 15.510 -18.726 -13.310 1.00 1.00 C ATOM 934 O GLU A 59 15.662 -17.500 -13.411 1.00 1.00 O ATOM 935 CB GLU A 59 16.443 -20.251 -15.089 1.00 1.00 C ATOM 936 CG GLU A 59 15.994 -19.186 -16.092 1.00 1.00 C ATOM 937 CD GLU A 59 16.945 -19.125 -17.289 1.00 1.00 C ATOM 938 OE1 GLU A 59 16.774 -20.054 -18.169 1.00 1.00 O ATOM 939 OE2 GLU A 59 17.798 -18.229 -17.358 1.00 1.00 O ATOM 0 H GLU A 59 16.842 -21.616 -13.054 1.00 1.00 H new ATOM 0 HA GLU A 59 17.588 -19.048 -13.768 1.00 1.00 H new ATOM 0 HB2 GLU A 59 17.361 -20.722 -15.440 1.00 1.00 H new ATOM 0 HB3 GLU A 59 15.688 -21.035 -15.023 1.00 1.00 H new ATOM 0 HG2 GLU A 59 14.984 -19.408 -16.436 1.00 1.00 H new ATOM 0 HG3 GLU A 59 15.957 -18.213 -15.602 1.00 1.00 H new ATOM 946 N CYS A 60 14.391 -19.331 -12.874 1.00 1.00 N ATOM 947 CA CYS A 60 13.217 -18.579 -12.468 1.00 1.00 C ATOM 948 C CYS A 60 13.549 -17.757 -11.220 1.00 1.00 C ATOM 949 O CYS A 60 12.910 -16.716 -11.012 1.00 1.00 O ATOM 950 CB CYS A 60 12.020 -19.504 -12.239 1.00 1.00 C ATOM 951 SG CYS A 60 10.602 -18.725 -11.412 1.00 1.00 S ATOM 0 H CYS A 60 14.287 -20.343 -12.798 1.00 1.00 H new ATOM 0 HA CYS A 60 12.933 -17.895 -13.268 1.00 1.00 H new ATOM 0 HB2 CYS A 60 11.691 -19.895 -13.202 1.00 1.00 H new ATOM 0 HB3 CYS A 60 12.346 -20.357 -11.644 1.00 1.00 H new ATOM 957 N LYS A 61 14.527 -18.233 -10.429 1.00 1.00 N ATOM 958 CA LYS A 61 14.937 -17.548 -9.215 1.00 1.00 C ATOM 959 C LYS A 61 15.824 -16.357 -9.582 1.00 1.00 C ATOM 960 O LYS A 61 15.534 -15.242 -9.124 1.00 1.00 O ATOM 961 CB LYS A 61 15.596 -18.529 -8.243 1.00 1.00 C ATOM 962 CG LYS A 61 14.724 -19.769 -8.040 1.00 1.00 C ATOM 963 CD LYS A 61 14.535 -20.069 -6.551 1.00 1.00 C ATOM 964 CE LYS A 61 13.053 -20.052 -6.173 1.00 1.00 C ATOM 965 NZ LYS A 61 12.575 -21.419 -5.903 1.00 1.00 N ATOM 0 H LYS A 61 15.042 -19.092 -10.619 1.00 1.00 H new ATOM 0 HA LYS A 61 14.069 -17.150 -8.690 1.00 1.00 H new ATOM 0 HB2 LYS A 61 16.572 -18.826 -8.626 1.00 1.00 H new ATOM 0 HB3 LYS A 61 15.765 -18.038 -7.285 1.00 1.00 H new ATOM 0 HG2 LYS A 61 13.753 -19.616 -8.510 1.00 1.00 H new ATOM 0 HG3 LYS A 61 15.184 -20.626 -8.532 1.00 1.00 H new ATOM 0 HD2 LYS A 61 14.963 -21.043 -6.315 1.00 1.00 H new ATOM 0 HD3 LYS A 61 15.074 -19.332 -5.956 1.00 1.00 H new ATOM 0 HE2 LYS A 61 12.903 -19.427 -5.293 1.00 1.00 H new ATOM 0 HE3 LYS A 61 12.470 -19.609 -6.981 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 11.559 -21.394 -5.681 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 12.732 -22.014 -6.742 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 13.096 -21.816 -5.095 1.00 1.00 H new ATOM 979 N ASN A 62 16.871 -16.611 -10.388 1.00 1.00 N ATOM 980 CA ASN A 62 17.789 -15.567 -10.810 1.00 1.00 C ATOM 981 C ASN A 62 16.992 -14.394 -11.384 1.00 1.00 C ATOM 982 O ASN A 62 17.241 -13.253 -10.970 1.00 1.00 O ATOM 983 CB ASN A 62 18.736 -16.074 -11.900 1.00 1.00 C ATOM 984 CG ASN A 62 20.185 -15.702 -11.584 1.00 1.00 C ATOM 985 OD1 ASN A 62 20.945 -16.477 -11.027 1.00 1.00 O ATOM 986 ND2 ASN A 62 20.525 -14.475 -11.969 1.00 1.00 N ATOM 0 H ASN A 62 17.093 -17.537 -10.755 1.00 1.00 H new ATOM 0 HA ASN A 62 18.371 -15.258 -9.942 1.00 1.00 H new ATOM 0 HB2 ASN A 62 18.646 -17.157 -11.990 1.00 1.00 H new ATOM 0 HB3 ASN A 62 18.449 -15.649 -12.862 1.00 1.00 H new ATOM 0 HD21 ASN A 62 21.471 -14.132 -11.803 1.00 1.00 H new ATOM 0 HD22 ASN A 62 19.840 -13.877 -12.431 1.00 1.00 H new ATOM 993 N ILE A 63 16.064 -14.693 -12.311 1.00 1.00 N ATOM 994 CA ILE A 63 15.241 -13.671 -12.934 1.00 1.00 C ATOM 995 C ILE A 63 14.265 -13.107 -11.899 1.00 1.00 C ATOM 996 O ILE A 63 14.261 -11.884 -11.698 1.00 1.00 O ATOM 997 CB ILE A 63 14.557 -14.223 -14.186 1.00 1.00 C ATOM 998 CG1 ILE A 63 15.538 -14.302 -15.358 1.00 1.00 C ATOM 999 CG2 ILE A 63 13.311 -13.407 -14.536 1.00 1.00 C ATOM 1000 CD1 ILE A 63 15.941 -12.903 -15.830 1.00 1.00 C ATOM 0 H ILE A 63 15.874 -15.640 -12.638 1.00 1.00 H new ATOM 0 HA ILE A 63 15.859 -12.841 -13.276 1.00 1.00 H new ATOM 0 HB ILE A 63 14.227 -15.240 -13.973 1.00 1.00 H new ATOM 0 HG12 ILE A 63 16.426 -14.858 -15.057 1.00 1.00 H new ATOM 0 HG13 ILE A 63 15.082 -14.851 -16.182 1.00 1.00 H new ATOM 0 HG21 ILE A 63 12.844 -13.821 -15.430 1.00 1.00 H new ATOM 0 HG22 ILE A 63 12.605 -13.447 -13.706 1.00 1.00 H new ATOM 0 HG23 ILE A 63 13.595 -12.371 -14.721 1.00 1.00 H new ATOM 0 HD11 ILE A 63 16.638 -12.987 -16.663 1.00 1.00 H new ATOM 0 HD12 ILE A 63 15.054 -12.358 -16.153 1.00 1.00 H new ATOM 0 HD13 ILE A 63 16.418 -12.366 -15.010 1.00 1.00 H new ATOM 1012 N CYS A 64 13.472 -13.995 -11.273 1.00 1.00 N ATOM 1013 CA CYS A 64 12.503 -13.588 -10.269 1.00 1.00 C ATOM 1014 C CYS A 64 13.224 -13.340 -8.943 1.00 1.00 C ATOM 1015 O CYS A 64 13.592 -12.187 -8.678 1.00 1.00 O ATOM 1016 CB CYS A 64 11.387 -14.625 -10.128 1.00 1.00 C ATOM 1017 SG CYS A 64 10.699 -15.224 -11.700 1.00 1.00 S ATOM 0 H CYS A 64 13.492 -14.999 -11.453 1.00 1.00 H new ATOM 0 HA CYS A 64 12.026 -12.659 -10.582 1.00 1.00 H new ATOM 0 HB2 CYS A 64 11.771 -15.477 -9.568 1.00 1.00 H new ATOM 0 HB3 CYS A 64 10.581 -14.192 -9.536 1.00 1.00 H new ATOM 0 HG CYS A 64 10.117 -14.241 -12.322 1.00 1.00 H new ATOM 1023 N GLU A 65 13.408 -14.410 -8.148 1.00 1.00 N ATOM 1024 CA GLU A 65 14.078 -14.309 -6.863 1.00 1.00 C ATOM 1025 C GLU A 65 15.185 -13.257 -6.951 1.00 1.00 C ATOM 1026 O GLU A 65 15.443 -12.586 -5.941 1.00 1.00 O ATOM 1027 CB GLU A 65 14.639 -15.659 -6.414 1.00 1.00 C ATOM 1028 CG GLU A 65 13.570 -16.487 -5.697 1.00 1.00 C ATOM 1029 CD GLU A 65 14.195 -17.370 -4.615 1.00 1.00 C ATOM 1030 OE1 GLU A 65 15.422 -17.551 -4.594 1.00 1.00 O ATOM 1031 OE2 GLU A 65 13.358 -17.877 -3.774 1.00 1.00 O ATOM 0 H GLU A 65 13.097 -15.352 -8.385 1.00 1.00 H new ATOM 0 HA GLU A 65 13.349 -14.003 -6.112 1.00 1.00 H new ATOM 0 HB2 GLU A 65 15.010 -16.209 -7.279 1.00 1.00 H new ATOM 0 HB3 GLU A 65 15.488 -15.501 -5.749 1.00 1.00 H new ATOM 0 HG2 GLU A 65 12.831 -15.823 -5.248 1.00 1.00 H new ATOM 0 HG3 GLU A 65 13.042 -17.109 -6.419 1.00 1.00 H new ATOM 1038 N ASP A 66 15.806 -13.135 -8.138 1.00 1.00 N ATOM 1039 CA ASP A 66 16.874 -12.173 -8.353 1.00 1.00 C ATOM 1040 C ASP A 66 18.224 -12.856 -8.123 1.00 1.00 C ATOM 1041 O ASP A 66 19.199 -12.474 -8.786 1.00 1.00 O ATOM 1042 CB ASP A 66 16.765 -11.001 -7.375 1.00 1.00 C ATOM 1043 CG ASP A 66 17.483 -11.205 -6.039 1.00 1.00 C ATOM 1044 OD1 ASP A 66 18.652 -11.617 -5.998 1.00 1.00 O ATOM 1045 OD2 ASP A 66 16.782 -10.919 -4.994 1.00 1.00 O ATOM 0 H ASP A 66 15.578 -13.697 -8.958 1.00 1.00 H new ATOM 0 HA ASP A 66 16.791 -11.800 -9.374 1.00 1.00 H new ATOM 0 HB2 ASP A 66 17.168 -10.109 -7.854 1.00 1.00 H new ATOM 0 HB3 ASP A 66 15.710 -10.809 -7.178 1.00 1.00 H new ATOM 1050 N GLY A 67 18.253 -13.838 -7.204 1.00 1.00 N ATOM 1051 CA GLY A 67 19.472 -14.565 -6.892 1.00 1.00 C ATOM 1052 C GLY A 67 19.748 -14.470 -5.391 1.00 1.00 C ATOM 1053 O GLY A 67 19.061 -13.691 -4.713 1.00 1.00 O ATOM 0 H GLY A 67 17.438 -14.138 -6.669 1.00 1.00 H new ATOM 0 HA2 GLY A 67 19.373 -15.609 -7.190 1.00 1.00 H new ATOM 0 HA3 GLY A 67 20.309 -14.152 -7.454 1.00 1.00 H new ATOM 1057 N PRO A 68 20.730 -15.251 -4.908 1.00 1.00 N ATOM 1058 CA PRO A 68 21.118 -15.281 -3.508 1.00 1.00 C ATOM 1059 C PRO A 68 21.932 -14.040 -3.138 1.00 1.00 C ATOM 1060 O PRO A 68 22.984 -13.819 -3.755 1.00 1.00 O ATOM 1061 CB PRO A 68 21.899 -16.574 -3.343 1.00 1.00 C ATOM 1062 CG PRO A 68 22.318 -16.990 -4.744 1.00 1.00 C ATOM 1063 CD PRO A 68 21.510 -16.168 -5.735 1.00 1.00 C ATOM 0 HA PRO A 68 20.262 -15.260 -2.834 1.00 1.00 H new ATOM 0 HB2 PRO A 68 22.769 -16.426 -2.703 1.00 1.00 H new ATOM 0 HB3 PRO A 68 21.286 -17.344 -2.874 1.00 1.00 H new ATOM 0 HG2 PRO A 68 23.385 -16.822 -4.889 1.00 1.00 H new ATOM 0 HG3 PRO A 68 22.139 -18.055 -4.896 1.00 1.00 H new ATOM 0 HD2 PRO A 68 22.160 -15.626 -6.422 1.00 1.00 H new ATOM 0 HD3 PRO A 68 20.863 -16.802 -6.341 1.00 1.00 H new ATOM 1071 N ASN A 69 21.437 -13.266 -2.155 1.00 1.00 N ATOM 1072 CA ASN A 69 22.114 -12.060 -1.709 1.00 1.00 C ATOM 1073 C ASN A 69 22.761 -11.370 -2.912 1.00 1.00 C ATOM 1074 O ASN A 69 23.924 -11.677 -3.212 1.00 1.00 O ATOM 1075 CB ASN A 69 23.218 -12.388 -0.702 1.00 1.00 C ATOM 1076 CG ASN A 69 22.701 -13.324 0.393 1.00 1.00 C ATOM 1077 OD1 ASN A 69 22.839 -14.534 0.328 1.00 1.00 O ATOM 1078 ND2 ASN A 69 22.100 -12.697 1.400 1.00 1.00 N ATOM 0 H ASN A 69 20.567 -13.465 -1.660 1.00 1.00 H new ATOM 0 HA ASN A 69 21.375 -11.414 -1.235 1.00 1.00 H new ATOM 0 HB2 ASN A 69 24.058 -12.854 -1.217 1.00 1.00 H new ATOM 0 HB3 ASN A 69 23.590 -11.467 -0.253 1.00 1.00 H new ATOM 0 HD21 ASN A 69 21.721 -13.233 2.181 1.00 1.00 H new ATOM 0 HD22 ASN A 69 22.018 -11.680 1.392 1.00 1.00 H new ATOM 1085 N GLY A 70 22.009 -10.467 -3.565 1.00 1.00 N ATOM 1086 CA GLY A 70 22.506 -9.743 -4.722 1.00 1.00 C ATOM 1087 C GLY A 70 21.900 -10.342 -5.992 1.00 1.00 C ATOM 1088 O GLY A 70 20.669 -10.301 -6.135 1.00 1.00 O ATOM 0 H GLY A 70 21.053 -10.229 -3.301 1.00 1.00 H new ATOM 0 HA2 GLY A 70 22.246 -8.687 -4.644 1.00 1.00 H new ATOM 0 HA3 GLY A 70 23.594 -9.801 -4.762 1.00 1.00 H new ATOM 1092 N PHE A 71 22.762 -10.879 -6.875 1.00 1.00 N ATOM 1093 CA PHE A 71 22.314 -11.480 -8.120 1.00 1.00 C ATOM 1094 C PHE A 71 23.285 -12.592 -8.522 1.00 1.00 C ATOM 1095 O PHE A 71 23.841 -12.566 -9.619 1.00 1.00 O ATOM 1096 CB PHE A 71 22.243 -10.395 -9.211 1.00 1.00 C ATOM 1097 CG PHE A 71 20.845 -9.855 -9.480 1.00 1.00 C ATOM 1098 CD1 PHE A 71 19.973 -10.549 -10.351 1.00 1.00 C ATOM 1099 CD2 PHE A 71 20.407 -8.663 -8.857 1.00 1.00 C ATOM 1100 CE1 PHE A 71 18.675 -10.053 -10.599 1.00 1.00 C ATOM 1101 CE2 PHE A 71 19.108 -8.169 -9.105 1.00 1.00 C ATOM 1102 CZ PHE A 71 18.243 -8.863 -9.976 1.00 1.00 C ATOM 0 H PHE A 71 23.772 -10.903 -6.738 1.00 1.00 H new ATOM 0 HA PHE A 71 21.322 -11.913 -7.993 1.00 1.00 H new ATOM 0 HB2 PHE A 71 22.889 -9.566 -8.922 1.00 1.00 H new ATOM 0 HB3 PHE A 71 22.645 -10.804 -10.138 1.00 1.00 H new ATOM 0 HD1 PHE A 71 20.301 -11.461 -10.828 1.00 1.00 H new ATOM 0 HD2 PHE A 71 21.068 -8.130 -8.190 1.00 1.00 H new ATOM 0 HE1 PHE A 71 18.012 -10.585 -11.266 1.00 1.00 H new ATOM 0 HE2 PHE A 71 18.776 -7.259 -8.627 1.00 1.00 H new ATOM 0 HZ PHE A 71 17.250 -8.484 -10.166 1.00 1.00 H new TER 1112 PHE A 71