USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 796 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 84 HIS : no HD1:sc= 1.51 K(o=2.9,f=-6.3!) USER MOD Set 1.2: A 86 THR OG1 : rot -80:sc= 1.35 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc=-0.00168 (180deg=-0.00168) USER MOD Single : A 2 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00889) USER MOD Single : A 8 GLN : amide:sc=-0.00362 K(o=-0.0036,f=-1.8!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -108:sc= 0.458 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.0268 X(o=0.027,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc=-0.00442 (180deg=-0.125) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.161 K(o=0.16,f=-0.79) USER MOD Single : A 24 ASN : amide:sc= -0.846 K(o=-0.85,f=-2.1!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.103 K(o=-0.1,f=-2.1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= 0.536 (180deg=0.511) USER MOD Single : A 42 ASN : amide:sc= 0.192 K(o=0.19,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 52 SER OG : rot -41:sc= 0.611 USER MOD Single : A 55 SER OG : rot 67:sc= 0.209 USER MOD Single : A 57 SER OG : rot -81:sc= 0.302 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 60:sc= 0.813 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 133:sc= 0.405 USER MOD Single : A 68 THR OG1 : rot -140:sc= -0.0614 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0386) USER MOD Single : A 78 TYR OH : rot 180:sc=-0.00778 USER MOD Single : A 83 ASN : amide:sc= -0.0833 K(o=-0.083,f=-5.1!) USER MOD Single : A 88 SER OG : rot 180:sc= 0.00136 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 91 LYS NZ :NH3+ 155:sc=-0.000289 (180deg=-0.119) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= -0.0463 (180deg=-0.0463) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 0.907 -0.986 -2.548 1.00 1.43 N ATOM 2 CA MET A 0 2.357 -0.854 -2.782 1.00 22.32 C ATOM 3 C MET A 0 3.125 -2.143 -2.475 1.00 52.13 C ATOM 4 O MET A 0 4.076 -2.463 -3.186 1.00 12.31 O ATOM 5 CB MET A 0 2.945 0.363 -2.051 1.00 62.12 C ATOM 6 CG MET A 0 2.873 0.269 -0.523 1.00 54.01 C ATOM 7 SD MET A 0 3.472 1.759 0.318 1.00 34.22 S ATOM 8 CE MET A 0 3.189 1.268 2.039 1.00 34.12 C ATOM 0 H1 MET A 0 0.436 -0.086 -2.771 1.00 1.43 H new ATOM 0 H2 MET A 0 0.524 -1.737 -3.157 1.00 1.43 H new ATOM 0 H3 MET A 0 0.737 -1.228 -1.551 1.00 1.43 H new ATOM 0 HA MET A 0 2.484 -0.676 -3.850 1.00 22.32 H new ATOM 0 HB2 MET A 0 3.987 0.484 -2.348 1.00 62.12 H new ATOM 0 HB3 MET A 0 2.415 1.259 -2.375 1.00 62.12 H new ATOM 0 HG2 MET A 0 1.841 0.083 -0.226 1.00 54.01 H new ATOM 0 HG3 MET A 0 3.460 -0.588 -0.191 1.00 54.01 H new ATOM 0 HE1 MET A 0 3.504 2.073 2.703 1.00 34.12 H new ATOM 0 HE2 MET A 0 2.129 1.066 2.190 1.00 34.12 H new ATOM 0 HE3 MET A 0 3.764 0.369 2.260 1.00 34.12 H new ATOM 20 N ILE A 1 2.709 -2.887 -1.438 1.00 31.44 N ATOM 21 CA ILE A 1 3.283 -4.186 -1.104 1.00 24.34 C ATOM 22 C ILE A 1 2.756 -5.238 -2.083 1.00 31.40 C ATOM 23 O ILE A 1 1.719 -5.860 -1.858 1.00 21.41 O ATOM 24 CB ILE A 1 3.068 -4.545 0.383 1.00 33.42 C ATOM 25 CG1 ILE A 1 3.540 -5.977 0.700 1.00 44.53 C ATOM 26 CG2 ILE A 1 1.623 -4.377 0.880 1.00 32.32 C ATOM 27 CD1 ILE A 1 5.017 -6.213 0.371 1.00 22.44 C ATOM 0 H ILE A 1 1.961 -2.597 -0.809 1.00 31.44 H new ATOM 0 HA ILE A 1 4.366 -4.150 -1.220 1.00 24.34 H new ATOM 0 HB ILE A 1 3.679 -3.819 0.919 1.00 33.42 H new ATOM 0 HG12 ILE A 1 3.373 -6.182 1.757 1.00 44.53 H new ATOM 0 HG13 ILE A 1 2.932 -6.686 0.138 1.00 44.53 H new ATOM 0 HG21 ILE A 1 1.566 -4.651 1.933 1.00 32.32 H new ATOM 0 HG22 ILE A 1 1.315 -3.339 0.758 1.00 32.32 H new ATOM 0 HG23 ILE A 1 0.962 -5.022 0.301 1.00 32.32 H new ATOM 0 HD11 ILE A 1 5.285 -7.240 0.618 1.00 22.44 H new ATOM 0 HD12 ILE A 1 5.185 -6.039 -0.692 1.00 22.44 H new ATOM 0 HD13 ILE A 1 5.633 -5.528 0.953 1.00 22.44 H new ATOM 39 N GLN A 2 3.484 -5.410 -3.190 1.00 15.52 N ATOM 40 CA GLN A 2 3.117 -6.294 -4.282 1.00 0.43 C ATOM 41 C GLN A 2 3.863 -7.624 -4.160 1.00 4.45 C ATOM 42 O GLN A 2 4.890 -7.836 -4.801 1.00 5.34 O ATOM 43 CB GLN A 2 3.337 -5.576 -5.625 1.00 15.35 C ATOM 44 CG GLN A 2 4.723 -4.937 -5.817 1.00 24.31 C ATOM 45 CD GLN A 2 4.852 -4.309 -7.202 1.00 3.10 C ATOM 46 OE1 GLN A 2 4.643 -3.109 -7.363 1.00 61.55 O ATOM 47 NE2 GLN A 2 5.208 -5.120 -8.201 1.00 54.44 N ATOM 0 H GLN A 2 4.366 -4.923 -3.348 1.00 15.52 H new ATOM 0 HA GLN A 2 2.057 -6.541 -4.233 1.00 0.43 H new ATOM 0 HB2 GLN A 2 3.172 -6.291 -6.431 1.00 15.35 H new ATOM 0 HB3 GLN A 2 2.580 -4.798 -5.729 1.00 15.35 H new ATOM 0 HG2 GLN A 2 4.885 -4.177 -5.053 1.00 24.31 H new ATOM 0 HG3 GLN A 2 5.497 -5.693 -5.684 1.00 24.31 H new ATOM 0 HE21 GLN A 2 5.371 -6.110 -8.020 1.00 54.44 H new ATOM 0 HE22 GLN A 2 5.317 -4.749 -9.145 1.00 54.44 H new ATOM 56 N ARG A 3 3.340 -8.525 -3.320 1.00 0.22 N ATOM 57 CA ARG A 3 3.972 -9.806 -3.032 1.00 42.53 C ATOM 58 C ARG A 3 4.037 -10.663 -4.296 1.00 43.15 C ATOM 59 O ARG A 3 3.053 -10.776 -5.024 1.00 63.33 O ATOM 60 CB ARG A 3 3.221 -10.548 -1.920 1.00 42.32 C ATOM 61 CG ARG A 3 3.156 -9.716 -0.635 1.00 11.13 C ATOM 62 CD ARG A 3 2.477 -10.496 0.492 1.00 72.13 C ATOM 63 NE ARG A 3 2.330 -9.660 1.690 1.00 52.45 N ATOM 64 CZ ARG A 3 1.636 -10.007 2.787 1.00 5.22 C ATOM 65 NH1 ARG A 3 1.029 -11.200 2.872 1.00 40.02 N ATOM 66 NH2 ARG A 3 1.549 -9.145 3.809 1.00 74.25 N ATOM 0 H ARG A 3 2.462 -8.380 -2.821 1.00 0.22 H new ATOM 0 HA ARG A 3 4.988 -9.615 -2.687 1.00 42.53 H new ATOM 0 HB2 ARG A 3 2.210 -10.782 -2.255 1.00 42.32 H new ATOM 0 HB3 ARG A 3 3.716 -11.497 -1.716 1.00 42.32 H new ATOM 0 HG2 ARG A 3 4.163 -9.433 -0.330 1.00 11.13 H new ATOM 0 HG3 ARG A 3 2.609 -8.792 -0.823 1.00 11.13 H new ATOM 0 HD2 ARG A 3 1.497 -10.842 0.162 1.00 72.13 H new ATOM 0 HD3 ARG A 3 3.064 -11.383 0.732 1.00 72.13 H new ATOM 0 HE ARG A 3 2.788 -8.749 1.689 1.00 52.45 H new ATOM 0 HH11 ARG A 3 1.090 -11.860 2.097 1.00 40.02 H new ATOM 0 HH12 ARG A 3 0.506 -11.447 3.712 1.00 40.02 H new ATOM 0 HH21 ARG A 3 2.007 -8.236 3.750 1.00 74.25 H new ATOM 0 HH22 ARG A 3 1.025 -9.398 4.646 1.00 74.25 H new ATOM 80 N THR A 4 5.210 -11.251 -4.551 1.00 21.22 N ATOM 81 CA THR A 4 5.469 -12.100 -5.704 1.00 45.12 C ATOM 82 C THR A 4 5.111 -13.555 -5.369 1.00 14.03 C ATOM 83 O THR A 4 5.129 -13.932 -4.197 1.00 2.02 O ATOM 84 CB THR A 4 6.953 -11.974 -6.086 1.00 3.00 C ATOM 85 OG1 THR A 4 7.769 -12.244 -4.965 1.00 71.42 O ATOM 86 CG2 THR A 4 7.272 -10.573 -6.618 1.00 13.53 C ATOM 0 H THR A 4 6.022 -11.143 -3.943 1.00 21.22 H new ATOM 0 HA THR A 4 4.855 -11.787 -6.549 1.00 45.12 H new ATOM 0 HB THR A 4 7.156 -12.700 -6.873 1.00 3.00 H new ATOM 0 HG1 THR A 4 8.712 -12.163 -5.220 1.00 71.42 H new ATOM 0 HG21 THR A 4 8.329 -10.515 -6.880 1.00 13.53 H new ATOM 0 HG22 THR A 4 6.668 -10.373 -7.503 1.00 13.53 H new ATOM 0 HG23 THR A 4 7.047 -9.832 -5.850 1.00 13.53 H new ATOM 94 N PRO A 5 4.810 -14.389 -6.379 1.00 14.11 N ATOM 95 CA PRO A 5 4.564 -15.814 -6.203 1.00 20.45 C ATOM 96 C PRO A 5 5.796 -16.523 -5.637 1.00 42.03 C ATOM 97 O PRO A 5 6.884 -16.401 -6.197 1.00 2.25 O ATOM 98 CB PRO A 5 4.219 -16.352 -7.597 1.00 42.11 C ATOM 99 CG PRO A 5 4.780 -15.313 -8.565 1.00 22.42 C ATOM 100 CD PRO A 5 4.673 -14.014 -7.776 1.00 1.02 C ATOM 0 HA PRO A 5 3.757 -15.991 -5.492 1.00 20.45 H new ATOM 0 HB2 PRO A 5 4.666 -17.332 -7.765 1.00 42.11 H new ATOM 0 HB3 PRO A 5 3.142 -16.468 -7.721 1.00 42.11 H new ATOM 0 HG2 PRO A 5 5.811 -15.534 -8.840 1.00 22.42 H new ATOM 0 HG3 PRO A 5 4.205 -15.272 -9.490 1.00 22.42 H new ATOM 0 HD2 PRO A 5 5.453 -13.312 -8.071 1.00 1.02 H new ATOM 0 HD3 PRO A 5 3.717 -13.523 -7.958 1.00 1.02 H new ATOM 108 N LYS A 6 5.614 -17.272 -4.540 1.00 4.01 N ATOM 109 CA LYS A 6 6.645 -18.102 -3.930 1.00 1.41 C ATOM 110 C LYS A 6 6.627 -19.465 -4.626 1.00 54.23 C ATOM 111 O LYS A 6 5.624 -20.177 -4.585 1.00 52.11 O ATOM 112 CB LYS A 6 6.409 -18.197 -2.413 1.00 40.22 C ATOM 113 CG LYS A 6 7.660 -18.593 -1.610 1.00 52.53 C ATOM 114 CD LYS A 6 8.064 -20.063 -1.773 1.00 11.11 C ATOM 115 CE LYS A 6 9.225 -20.411 -0.837 1.00 54.54 C ATOM 116 NZ LYS A 6 9.616 -21.825 -0.961 1.00 34.31 N ATOM 0 H LYS A 6 4.723 -17.314 -4.046 1.00 4.01 H new ATOM 0 HA LYS A 6 7.636 -17.667 -4.058 1.00 1.41 H new ATOM 0 HB2 LYS A 6 6.047 -17.235 -2.051 1.00 40.22 H new ATOM 0 HB3 LYS A 6 5.622 -18.926 -2.223 1.00 40.22 H new ATOM 0 HG2 LYS A 6 8.493 -17.961 -1.919 1.00 52.53 H new ATOM 0 HG3 LYS A 6 7.481 -18.391 -0.554 1.00 52.53 H new ATOM 0 HD2 LYS A 6 7.211 -20.706 -1.557 1.00 11.11 H new ATOM 0 HD3 LYS A 6 8.354 -20.254 -2.806 1.00 11.11 H new ATOM 0 HE2 LYS A 6 10.080 -19.775 -1.065 1.00 54.54 H new ATOM 0 HE3 LYS A 6 8.938 -20.201 0.193 1.00 54.54 H new ATOM 0 HZ1 LYS A 6 10.416 -22.021 -0.325 1.00 34.31 H new ATOM 0 HZ2 LYS A 6 8.812 -22.432 -0.703 1.00 34.31 H new ATOM 0 HZ3 LYS A 6 9.897 -22.023 -1.943 1.00 34.31 H new ATOM 130 N ILE A 7 7.737 -19.795 -5.297 1.00 20.25 N ATOM 131 CA ILE A 7 7.872 -20.937 -6.186 1.00 42.13 C ATOM 132 C ILE A 7 8.199 -22.195 -5.372 1.00 52.04 C ATOM 133 O ILE A 7 9.178 -22.206 -4.626 1.00 45.22 O ATOM 134 CB ILE A 7 8.966 -20.635 -7.231 1.00 71.43 C ATOM 135 CG1 ILE A 7 8.631 -19.385 -8.075 1.00 44.24 C ATOM 136 CG2 ILE A 7 9.153 -21.829 -8.176 1.00 15.24 C ATOM 137 CD1 ILE A 7 9.310 -18.112 -7.554 1.00 20.21 C ATOM 0 H ILE A 7 8.595 -19.247 -5.227 1.00 20.25 H new ATOM 0 HA ILE A 7 6.935 -21.119 -6.712 1.00 42.13 H new ATOM 0 HB ILE A 7 9.885 -20.446 -6.677 1.00 71.43 H new ATOM 0 HG12 ILE A 7 8.937 -19.557 -9.107 1.00 44.24 H new ATOM 0 HG13 ILE A 7 7.551 -19.237 -8.083 1.00 44.24 H new ATOM 0 HG21 ILE A 7 9.929 -21.597 -8.906 1.00 15.24 H new ATOM 0 HG22 ILE A 7 9.447 -22.706 -7.600 1.00 15.24 H new ATOM 0 HG23 ILE A 7 8.216 -22.033 -8.694 1.00 15.24 H new ATOM 0 HD11 ILE A 7 9.037 -17.268 -8.188 1.00 20.21 H new ATOM 0 HD12 ILE A 7 8.985 -17.918 -6.532 1.00 20.21 H new ATOM 0 HD13 ILE A 7 10.392 -18.243 -7.572 1.00 20.21 H new ATOM 149 N GLN A 8 7.387 -23.251 -5.535 1.00 1.50 N ATOM 150 CA GLN A 8 7.575 -24.555 -4.905 1.00 53.24 C ATOM 151 C GLN A 8 7.139 -25.654 -5.881 1.00 43.34 C ATOM 152 O GLN A 8 6.024 -26.163 -5.780 1.00 42.21 O ATOM 153 CB GLN A 8 6.759 -24.642 -3.608 1.00 2.23 C ATOM 154 CG GLN A 8 7.310 -23.771 -2.476 1.00 14.34 C ATOM 155 CD GLN A 8 6.428 -23.849 -1.232 1.00 15.24 C ATOM 156 OE1 GLN A 8 5.937 -22.830 -0.752 1.00 61.21 O ATOM 157 NE2 GLN A 8 6.219 -25.058 -0.705 1.00 25.32 N ATOM 0 H GLN A 8 6.558 -23.214 -6.128 1.00 1.50 H new ATOM 0 HA GLN A 8 8.628 -24.688 -4.657 1.00 53.24 H new ATOM 0 HB2 GLN A 8 5.731 -24.346 -3.815 1.00 2.23 H new ATOM 0 HB3 GLN A 8 6.731 -25.680 -3.276 1.00 2.23 H new ATOM 0 HG2 GLN A 8 8.321 -24.092 -2.227 1.00 14.34 H new ATOM 0 HG3 GLN A 8 7.378 -22.736 -2.811 1.00 14.34 H new ATOM 0 HE21 GLN A 8 6.644 -25.881 -1.132 1.00 25.32 H new ATOM 0 HE22 GLN A 8 5.634 -25.159 0.125 1.00 25.32 H new ATOM 166 N VAL A 9 8.023 -26.014 -6.821 1.00 40.02 N ATOM 167 CA VAL A 9 7.760 -27.008 -7.856 1.00 40.21 C ATOM 168 C VAL A 9 8.404 -28.347 -7.493 1.00 21.14 C ATOM 169 O VAL A 9 9.566 -28.592 -7.815 1.00 24.42 O ATOM 170 CB VAL A 9 8.276 -26.497 -9.205 1.00 13.25 C ATOM 171 CG1 VAL A 9 7.975 -27.504 -10.322 1.00 52.11 C ATOM 172 CG2 VAL A 9 7.654 -25.137 -9.544 1.00 13.43 C ATOM 0 H VAL A 9 8.958 -25.611 -6.880 1.00 40.02 H new ATOM 0 HA VAL A 9 6.684 -27.168 -7.932 1.00 40.21 H new ATOM 0 HB VAL A 9 9.357 -26.378 -9.126 1.00 13.25 H new ATOM 0 HG11 VAL A 9 8.351 -27.119 -11.270 1.00 52.11 H new ATOM 0 HG12 VAL A 9 8.462 -28.453 -10.097 1.00 52.11 H new ATOM 0 HG13 VAL A 9 6.898 -27.657 -10.394 1.00 52.11 H new ATOM 0 HG21 VAL A 9 8.034 -24.793 -10.506 1.00 13.43 H new ATOM 0 HG22 VAL A 9 6.570 -25.236 -9.597 1.00 13.43 H new ATOM 0 HG23 VAL A 9 7.915 -24.414 -8.771 1.00 13.43 H new ATOM 182 N TYR A 10 7.626 -29.207 -6.835 1.00 4.42 N ATOM 183 CA TYR A 10 8.023 -30.561 -6.451 1.00 25.34 C ATOM 184 C TYR A 10 7.222 -31.589 -7.244 1.00 3.10 C ATOM 185 O TYR A 10 6.125 -31.282 -7.702 1.00 43.01 O ATOM 186 CB TYR A 10 7.792 -30.763 -4.946 1.00 23.33 C ATOM 187 CG TYR A 10 6.355 -30.652 -4.464 1.00 42.23 C ATOM 188 CD1 TYR A 10 5.585 -31.815 -4.269 1.00 12.54 C ATOM 189 CD2 TYR A 10 5.818 -29.397 -4.122 1.00 11.12 C ATOM 190 CE1 TYR A 10 4.280 -31.722 -3.754 1.00 1.23 C ATOM 191 CE2 TYR A 10 4.513 -29.303 -3.607 1.00 53.41 C ATOM 192 CZ TYR A 10 3.742 -30.465 -3.426 1.00 43.11 C ATOM 193 OH TYR A 10 2.471 -30.368 -2.937 1.00 42.51 O ATOM 0 H TYR A 10 6.676 -28.974 -6.547 1.00 4.42 H new ATOM 0 HA TYR A 10 9.082 -30.696 -6.672 1.00 25.34 H new ATOM 0 HB2 TYR A 10 8.170 -31.748 -4.671 1.00 23.33 H new ATOM 0 HB3 TYR A 10 8.391 -30.030 -4.406 1.00 23.33 H new ATOM 0 HD1 TYR A 10 5.998 -32.782 -4.516 1.00 12.54 H new ATOM 0 HD2 TYR A 10 6.410 -28.504 -4.255 1.00 11.12 H new ATOM 0 HE1 TYR A 10 3.691 -32.616 -3.610 1.00 1.23 H new ATOM 0 HE2 TYR A 10 4.102 -28.338 -3.350 1.00 53.41 H new ATOM 0 HH TYR A 10 2.259 -29.427 -2.762 1.00 42.51 H new ATOM 203 N SER A 11 7.736 -32.818 -7.364 1.00 11.52 N ATOM 204 CA SER A 11 6.953 -33.951 -7.844 1.00 1.02 C ATOM 205 C SER A 11 6.410 -34.724 -6.644 1.00 1.00 C ATOM 206 O SER A 11 7.150 -35.009 -5.703 1.00 13.11 O ATOM 207 CB SER A 11 7.774 -34.874 -8.749 1.00 72.23 C ATOM 208 OG SER A 11 6.906 -35.791 -9.383 1.00 72.22 O ATOM 0 H SER A 11 8.702 -33.050 -7.131 1.00 11.52 H new ATOM 0 HA SER A 11 6.128 -33.569 -8.446 1.00 1.02 H new ATOM 0 HB2 SER A 11 8.312 -34.288 -9.494 1.00 72.23 H new ATOM 0 HB3 SER A 11 8.522 -35.408 -8.163 1.00 72.23 H new ATOM 0 HG SER A 11 7.039 -36.684 -9.002 1.00 72.22 H new ATOM 214 N ARG A 12 5.122 -35.078 -6.690 1.00 42.55 N ATOM 215 CA ARG A 12 4.483 -35.921 -5.689 1.00 52.14 C ATOM 216 C ARG A 12 5.159 -37.292 -5.648 1.00 3.01 C ATOM 217 O ARG A 12 5.538 -37.756 -4.576 1.00 2.20 O ATOM 218 CB ARG A 12 2.988 -36.050 -6.010 1.00 22.34 C ATOM 219 CG ARG A 12 2.236 -37.068 -5.145 1.00 41.03 C ATOM 220 CD ARG A 12 2.227 -36.660 -3.668 1.00 5.41 C ATOM 221 NE ARG A 12 1.336 -37.522 -2.881 1.00 2.03 N ATOM 222 CZ ARG A 12 -0.006 -37.444 -2.878 1.00 20.33 C ATOM 223 NH1 ARG A 12 -0.648 -36.522 -3.611 1.00 44.01 N ATOM 224 NH2 ARG A 12 -0.715 -38.303 -2.132 1.00 74.33 N ATOM 0 H ARG A 12 4.491 -34.781 -7.434 1.00 42.55 H new ATOM 0 HA ARG A 12 4.589 -35.466 -4.704 1.00 52.14 H new ATOM 0 HB2 ARG A 12 2.518 -35.074 -5.890 1.00 22.34 H new ATOM 0 HB3 ARG A 12 2.877 -36.331 -7.057 1.00 22.34 H new ATOM 0 HG2 ARG A 12 1.211 -37.162 -5.503 1.00 41.03 H new ATOM 0 HG3 ARG A 12 2.701 -38.048 -5.249 1.00 41.03 H new ATOM 0 HD2 ARG A 12 3.239 -36.717 -3.267 1.00 5.41 H new ATOM 0 HD3 ARG A 12 1.906 -35.622 -3.577 1.00 5.41 H new ATOM 0 HE ARG A 12 1.768 -38.234 -2.292 1.00 2.03 H new ATOM 0 HH11 ARG A 12 -0.117 -35.865 -4.183 1.00 44.01 H new ATOM 0 HH12 ARG A 12 -1.667 -36.478 -3.596 1.00 44.01 H new ATOM 0 HH21 ARG A 12 -0.236 -39.009 -1.573 1.00 74.33 H new ATOM 0 HH22 ARG A 12 -1.734 -38.251 -2.124 1.00 74.33 H new ATOM 238 N HIS A 13 5.279 -37.940 -6.812 1.00 1.05 N ATOM 239 CA HIS A 13 5.834 -39.278 -6.955 1.00 1.41 C ATOM 240 C HIS A 13 7.331 -39.197 -7.280 1.00 74.24 C ATOM 241 O HIS A 13 7.762 -38.232 -7.909 1.00 62.12 O ATOM 242 CB HIS A 13 5.064 -40.004 -8.063 1.00 22.12 C ATOM 243 CG HIS A 13 3.619 -40.240 -7.708 1.00 0.12 C ATOM 244 ND1 HIS A 13 3.200 -41.337 -6.970 1.00 42.35 N ATOM 245 CD2 HIS A 13 2.481 -39.512 -7.953 1.00 73.12 C ATOM 246 CE1 HIS A 13 1.868 -41.230 -6.821 1.00 1.51 C ATOM 247 NE2 HIS A 13 1.368 -40.133 -7.394 1.00 31.35 N ATOM 0 H HIS A 13 4.984 -37.533 -7.699 1.00 1.05 H new ATOM 0 HA HIS A 13 5.731 -39.833 -6.023 1.00 1.41 H new ATOM 0 HB2 HIS A 13 5.117 -39.418 -8.981 1.00 22.12 H new ATOM 0 HB3 HIS A 13 5.545 -40.961 -8.267 1.00 22.12 H new ATOM 0 HD2 HIS A 13 2.453 -38.584 -8.504 1.00 73.12 H new ATOM 0 HE1 HIS A 13 1.266 -41.955 -6.293 1.00 1.51 H new ATOM 0 HE2 HIS A 13 0.397 -39.822 -7.417 1.00 31.35 H new ATOM 255 N PRO A 14 8.137 -40.193 -6.871 1.00 0.33 N ATOM 256 CA PRO A 14 9.570 -40.221 -7.124 1.00 40.43 C ATOM 257 C PRO A 14 9.827 -40.494 -8.605 1.00 43.44 C ATOM 258 O PRO A 14 9.249 -41.421 -9.169 1.00 40.01 O ATOM 259 CB PRO A 14 10.117 -41.334 -6.229 1.00 2.42 C ATOM 260 CG PRO A 14 8.944 -42.309 -6.134 1.00 24.44 C ATOM 261 CD PRO A 14 7.730 -41.378 -6.132 1.00 3.32 C ATOM 0 HA PRO A 14 10.060 -39.274 -6.899 1.00 40.43 H new ATOM 0 HB2 PRO A 14 10.999 -41.805 -6.664 1.00 2.42 H new ATOM 0 HB3 PRO A 14 10.408 -40.957 -5.249 1.00 2.42 H new ATOM 0 HG2 PRO A 14 8.923 -43.000 -6.977 1.00 24.44 H new ATOM 0 HG3 PRO A 14 8.992 -42.913 -5.228 1.00 24.44 H new ATOM 0 HD2 PRO A 14 6.870 -41.856 -6.602 1.00 3.32 H new ATOM 0 HD3 PRO A 14 7.435 -41.122 -5.114 1.00 3.32 H new ATOM 269 N ALA A 15 10.668 -39.657 -9.227 1.00 63.12 N ATOM 270 CA ALA A 15 10.898 -39.611 -10.664 1.00 34.33 C ATOM 271 C ALA A 15 11.478 -40.922 -11.204 1.00 3.53 C ATOM 272 O ALA A 15 12.695 -41.096 -11.239 1.00 43.13 O ATOM 273 CB ALA A 15 11.815 -38.425 -10.978 1.00 43.35 C ATOM 0 H ALA A 15 11.224 -38.970 -8.718 1.00 63.12 H new ATOM 0 HA ALA A 15 9.940 -39.479 -11.166 1.00 34.33 H new ATOM 0 HB1 ALA A 15 11.995 -38.379 -12.052 1.00 43.35 H new ATOM 0 HB2 ALA A 15 11.340 -37.501 -10.650 1.00 43.35 H new ATOM 0 HB3 ALA A 15 12.764 -38.550 -10.456 1.00 43.35 H new ATOM 279 N GLU A 16 10.598 -41.824 -11.656 1.00 15.34 N ATOM 280 CA GLU A 16 10.971 -43.059 -12.330 1.00 74.32 C ATOM 281 C GLU A 16 11.143 -42.771 -13.822 1.00 53.04 C ATOM 282 O GLU A 16 10.243 -42.224 -14.458 1.00 53.02 O ATOM 283 CB GLU A 16 9.893 -44.127 -12.105 1.00 34.23 C ATOM 284 CG GLU A 16 9.905 -44.687 -10.680 1.00 12.31 C ATOM 285 CD GLU A 16 8.803 -45.729 -10.502 1.00 74.33 C ATOM 286 OE1 GLU A 16 7.688 -45.321 -10.109 1.00 33.14 O ATOM 287 OE2 GLU A 16 9.089 -46.915 -10.776 1.00 71.14 O ATOM 0 H GLU A 16 9.589 -41.707 -11.558 1.00 15.34 H new ATOM 0 HA GLU A 16 11.910 -43.437 -11.924 1.00 74.32 H new ATOM 0 HB2 GLU A 16 8.913 -43.698 -12.314 1.00 34.23 H new ATOM 0 HB3 GLU A 16 10.042 -44.942 -12.813 1.00 34.23 H new ATOM 0 HG2 GLU A 16 10.875 -45.136 -10.468 1.00 12.31 H new ATOM 0 HG3 GLU A 16 9.766 -43.877 -9.964 1.00 12.31 H new ATOM 294 N ASN A 17 12.303 -43.147 -14.373 1.00 32.23 N ATOM 295 CA ASN A 17 12.621 -42.999 -15.785 1.00 51.13 C ATOM 296 C ASN A 17 11.734 -43.934 -16.610 1.00 12.50 C ATOM 297 O ASN A 17 11.742 -45.144 -16.388 1.00 3.24 O ATOM 298 CB ASN A 17 14.109 -43.313 -15.994 1.00 2.33 C ATOM 299 CG ASN A 17 14.502 -43.314 -17.470 1.00 44.23 C ATOM 300 OD1 ASN A 17 14.841 -44.358 -18.022 1.00 40.42 O ATOM 301 ND2 ASN A 17 14.464 -42.144 -18.109 1.00 61.25 N ATOM 0 H ASN A 17 13.058 -43.570 -13.833 1.00 32.23 H new ATOM 0 HA ASN A 17 12.430 -41.977 -16.114 1.00 51.13 H new ATOM 0 HB2 ASN A 17 14.711 -42.577 -15.461 1.00 2.33 H new ATOM 0 HB3 ASN A 17 14.337 -44.286 -15.559 1.00 2.33 H new ATOM 0 HD21 ASN A 17 14.723 -42.092 -19.094 1.00 61.25 H new ATOM 0 HD22 ASN A 17 14.176 -41.301 -17.612 1.00 61.25 H new ATOM 308 N GLY A 18 10.964 -43.368 -17.548 1.00 60.41 N ATOM 309 CA GLY A 18 10.011 -44.113 -18.354 1.00 31.21 C ATOM 310 C GLY A 18 8.833 -44.554 -17.491 1.00 43.22 C ATOM 311 O GLY A 18 8.638 -45.750 -17.278 1.00 3.03 O ATOM 0 H GLY A 18 10.991 -42.372 -17.764 1.00 60.41 H new ATOM 0 HA2 GLY A 18 9.657 -43.494 -19.179 1.00 31.21 H new ATOM 0 HA3 GLY A 18 10.496 -44.984 -18.794 1.00 31.21 H new ATOM 315 N LYS A 19 8.064 -43.583 -16.982 1.00 0.33 N ATOM 316 CA LYS A 19 6.961 -43.838 -16.066 1.00 12.41 C ATOM 317 C LYS A 19 5.953 -42.681 -16.127 1.00 74.42 C ATOM 318 O LYS A 19 5.801 -42.066 -17.178 1.00 33.50 O ATOM 319 CB LYS A 19 7.530 -44.058 -14.656 1.00 3.12 C ATOM 320 CG LYS A 19 6.616 -44.947 -13.803 1.00 43.21 C ATOM 321 CD LYS A 19 7.011 -46.423 -13.930 1.00 2.20 C ATOM 322 CE LYS A 19 6.155 -47.316 -13.025 1.00 44.52 C ATOM 323 NZ LYS A 19 4.726 -47.248 -13.373 1.00 32.54 N ATOM 0 H LYS A 19 8.196 -42.595 -17.200 1.00 0.33 H new ATOM 0 HA LYS A 19 6.420 -44.740 -16.352 1.00 12.41 H new ATOM 0 HB2 LYS A 19 8.516 -44.516 -14.730 1.00 3.12 H new ATOM 0 HB3 LYS A 19 7.662 -43.095 -14.163 1.00 3.12 H new ATOM 0 HG2 LYS A 19 6.675 -44.640 -12.759 1.00 43.21 H new ATOM 0 HG3 LYS A 19 5.580 -44.816 -14.116 1.00 43.21 H new ATOM 0 HD2 LYS A 19 6.900 -46.742 -14.966 1.00 2.20 H new ATOM 0 HD3 LYS A 19 8.063 -46.542 -13.670 1.00 2.20 H new ATOM 0 HE2 LYS A 19 6.498 -48.347 -13.104 1.00 44.52 H new ATOM 0 HE3 LYS A 19 6.290 -47.014 -11.986 1.00 44.52 H new ATOM 0 HZ1 LYS A 19 4.205 -47.975 -12.843 1.00 32.54 H new ATOM 0 HZ2 LYS A 19 4.354 -46.308 -13.129 1.00 32.54 H new ATOM 0 HZ3 LYS A 19 4.609 -47.412 -14.393 1.00 32.54 H new ATOM 337 N SER A 20 5.269 -42.388 -15.010 1.00 4.01 N ATOM 338 CA SER A 20 4.280 -41.332 -14.865 1.00 2.34 C ATOM 339 C SER A 20 4.407 -40.746 -13.457 1.00 5.04 C ATOM 340 O SER A 20 4.493 -41.488 -12.479 1.00 61.35 O ATOM 341 CB SER A 20 2.875 -41.885 -15.133 1.00 12.43 C ATOM 342 OG SER A 20 2.587 -42.976 -14.283 1.00 60.13 O ATOM 0 H SER A 20 5.404 -42.913 -14.146 1.00 4.01 H new ATOM 0 HA SER A 20 4.452 -40.539 -15.592 1.00 2.34 H new ATOM 0 HB2 SER A 20 2.136 -41.098 -14.982 1.00 12.43 H new ATOM 0 HB3 SER A 20 2.797 -42.200 -16.174 1.00 12.43 H new ATOM 0 HG SER A 20 1.685 -43.309 -14.473 1.00 60.13 H new ATOM 348 N ASN A 21 4.461 -39.412 -13.370 1.00 1.41 N ATOM 349 CA ASN A 21 4.727 -38.656 -12.154 1.00 15.34 C ATOM 350 C ASN A 21 3.923 -37.358 -12.200 1.00 51.15 C ATOM 351 O ASN A 21 3.747 -36.787 -13.272 1.00 62.43 O ATOM 352 CB ASN A 21 6.227 -38.345 -12.078 1.00 32.41 C ATOM 353 CG ASN A 21 7.064 -39.605 -11.871 1.00 33.40 C ATOM 354 OD1 ASN A 21 7.501 -40.237 -12.830 1.00 52.25 O ATOM 355 ND2 ASN A 21 7.292 -39.972 -10.610 1.00 22.12 N ATOM 0 H ASN A 21 4.314 -38.811 -14.181 1.00 1.41 H new ATOM 0 HA ASN A 21 4.437 -39.231 -11.275 1.00 15.34 H new ATOM 0 HB2 ASN A 21 6.541 -37.848 -12.996 1.00 32.41 H new ATOM 0 HB3 ASN A 21 6.412 -37.649 -11.260 1.00 32.41 H new ATOM 0 HD21 ASN A 21 7.847 -40.805 -10.414 1.00 22.12 H new ATOM 0 HD22 ASN A 21 6.911 -39.420 -9.841 1.00 22.12 H new ATOM 362 N PHE A 22 3.421 -36.898 -11.048 1.00 4.04 N ATOM 363 CA PHE A 22 2.583 -35.708 -10.961 1.00 23.41 C ATOM 364 C PHE A 22 3.420 -34.525 -10.485 1.00 24.35 C ATOM 365 O PHE A 22 4.030 -34.601 -9.419 1.00 5.20 O ATOM 366 CB PHE A 22 1.409 -35.959 -10.005 1.00 35.54 C ATOM 367 CG PHE A 22 0.294 -36.831 -10.560 1.00 12.33 C ATOM 368 CD1 PHE A 22 -0.996 -36.292 -10.729 1.00 32.42 C ATOM 369 CD2 PHE A 22 0.522 -38.189 -10.865 1.00 31.20 C ATOM 370 CE1 PHE A 22 -2.046 -37.098 -11.199 1.00 45.44 C ATOM 371 CE2 PHE A 22 -0.526 -38.989 -11.352 1.00 35.53 C ATOM 372 CZ PHE A 22 -1.810 -38.445 -11.519 1.00 2.24 C ATOM 0 H PHE A 22 3.589 -37.347 -10.148 1.00 4.04 H new ATOM 0 HA PHE A 22 2.179 -35.478 -11.947 1.00 23.41 H new ATOM 0 HB2 PHE A 22 1.794 -36.424 -9.097 1.00 35.54 H new ATOM 0 HB3 PHE A 22 0.986 -34.997 -9.715 1.00 35.54 H new ATOM 0 HD1 PHE A 22 -1.179 -35.253 -10.496 1.00 32.42 H new ATOM 0 HD2 PHE A 22 1.504 -38.615 -10.724 1.00 31.20 H new ATOM 0 HE1 PHE A 22 -3.036 -36.681 -11.314 1.00 45.44 H new ATOM 0 HE2 PHE A 22 -0.343 -40.025 -11.598 1.00 35.53 H new ATOM 0 HZ PHE A 22 -2.614 -39.061 -11.893 1.00 2.24 H new ATOM 382 N LEU A 23 3.430 -33.429 -11.258 1.00 44.24 N ATOM 383 CA LEU A 23 4.098 -32.189 -10.878 1.00 43.33 C ATOM 384 C LEU A 23 3.197 -31.451 -9.896 1.00 14.52 C ATOM 385 O LEU A 23 1.988 -31.660 -9.910 1.00 71.31 O ATOM 386 CB LEU A 23 4.359 -31.326 -12.123 1.00 2.23 C ATOM 387 CG LEU A 23 5.386 -30.198 -11.929 1.00 63.14 C ATOM 388 CD1 LEU A 23 6.771 -30.746 -11.562 1.00 24.10 C ATOM 389 CD2 LEU A 23 5.504 -29.406 -13.237 1.00 75.11 C ATOM 0 H LEU A 23 2.971 -33.384 -12.168 1.00 44.24 H new ATOM 0 HA LEU A 23 5.060 -32.403 -10.412 1.00 43.33 H new ATOM 0 HB2 LEU A 23 4.701 -31.974 -12.930 1.00 2.23 H new ATOM 0 HB3 LEU A 23 3.415 -30.886 -12.446 1.00 2.23 H new ATOM 0 HG LEU A 23 5.042 -29.564 -11.112 1.00 63.14 H new ATOM 0 HD11 LEU A 23 7.468 -29.918 -11.434 1.00 24.10 H new ATOM 0 HD12 LEU A 23 6.704 -31.311 -10.632 1.00 24.10 H new ATOM 0 HD13 LEU A 23 7.127 -31.399 -12.359 1.00 24.10 H new ATOM 0 HD21 LEU A 23 6.230 -28.603 -13.112 1.00 75.11 H new ATOM 0 HD22 LEU A 23 5.832 -30.070 -14.036 1.00 75.11 H new ATOM 0 HD23 LEU A 23 4.534 -28.981 -13.494 1.00 75.11 H new ATOM 401 N ASN A 24 3.771 -30.610 -9.031 1.00 24.15 N ATOM 402 CA ASN A 24 3.025 -29.859 -8.036 1.00 55.34 C ATOM 403 C ASN A 24 3.653 -28.480 -7.896 1.00 42.01 C ATOM 404 O ASN A 24 4.430 -28.236 -6.975 1.00 42.11 O ATOM 405 CB ASN A 24 3.013 -30.610 -6.701 1.00 1.30 C ATOM 406 CG ASN A 24 2.106 -31.837 -6.739 1.00 74.12 C ATOM 407 OD1 ASN A 24 0.964 -31.782 -6.293 1.00 2.30 O ATOM 408 ND2 ASN A 24 2.609 -32.951 -7.273 1.00 0.01 N ATOM 0 H ASN A 24 4.776 -30.435 -9.007 1.00 24.15 H new ATOM 0 HA ASN A 24 1.988 -29.745 -8.351 1.00 55.34 H new ATOM 0 HB2 ASN A 24 4.028 -30.918 -6.450 1.00 1.30 H new ATOM 0 HB3 ASN A 24 2.679 -29.938 -5.911 1.00 1.30 H new ATOM 0 HD21 ASN A 24 2.040 -33.796 -7.321 1.00 0.01 H new ATOM 0 HD22 ASN A 24 3.563 -32.958 -7.634 1.00 0.01 H new ATOM 415 N CYS A 25 3.282 -27.578 -8.812 1.00 75.41 N ATOM 416 CA CYS A 25 3.648 -26.175 -8.752 1.00 34.34 C ATOM 417 C CYS A 25 2.716 -25.487 -7.757 1.00 72.14 C ATOM 418 O CYS A 25 1.641 -25.011 -8.121 1.00 41.21 O ATOM 419 CB CYS A 25 3.614 -25.573 -10.162 1.00 43.51 C ATOM 420 SG CYS A 25 4.789 -26.383 -11.280 1.00 51.02 S ATOM 0 H CYS A 25 2.711 -27.815 -9.624 1.00 75.41 H new ATOM 0 HA CYS A 25 4.668 -26.032 -8.395 1.00 34.34 H new ATOM 0 HB2 CYS A 25 2.607 -25.662 -10.569 1.00 43.51 H new ATOM 0 HB3 CYS A 25 3.842 -24.509 -10.107 1.00 43.51 H new ATOM 425 N TYR A 26 3.142 -25.471 -6.488 1.00 75.41 N ATOM 426 CA TYR A 26 2.443 -24.848 -5.377 1.00 51.52 C ATOM 427 C TYR A 26 2.823 -23.367 -5.349 1.00 53.42 C ATOM 428 O TYR A 26 3.769 -22.973 -4.671 1.00 22.12 O ATOM 429 CB TYR A 26 2.810 -25.595 -4.089 1.00 35.41 C ATOM 430 CG TYR A 26 2.141 -25.084 -2.826 1.00 55.03 C ATOM 431 CD1 TYR A 26 0.857 -25.540 -2.482 1.00 4.11 C ATOM 432 CD2 TYR A 26 2.843 -24.250 -1.937 1.00 44.43 C ATOM 433 CE1 TYR A 26 0.289 -25.187 -1.247 1.00 20.33 C ATOM 434 CE2 TYR A 26 2.264 -23.870 -0.714 1.00 20.51 C ATOM 435 CZ TYR A 26 0.978 -24.325 -0.376 1.00 23.43 C ATOM 436 OH TYR A 26 0.402 -23.933 0.797 1.00 4.30 O ATOM 0 H TYR A 26 4.018 -25.911 -6.205 1.00 75.41 H new ATOM 0 HA TYR A 26 1.360 -24.907 -5.482 1.00 51.52 H new ATOM 0 HB2 TYR A 26 2.555 -26.647 -4.214 1.00 35.41 H new ATOM 0 HB3 TYR A 26 3.890 -25.543 -3.954 1.00 35.41 H new ATOM 0 HD1 TYR A 26 0.305 -26.164 -3.170 1.00 4.11 H new ATOM 0 HD2 TYR A 26 3.832 -23.900 -2.195 1.00 44.43 H new ATOM 0 HE1 TYR A 26 -0.678 -25.578 -0.966 1.00 20.33 H new ATOM 0 HE2 TYR A 26 2.807 -23.229 -0.035 1.00 20.51 H new ATOM 0 HH TYR A 26 1.014 -23.339 1.280 1.00 4.30 H new ATOM 446 N VAL A 27 2.105 -22.553 -6.131 1.00 61.31 N ATOM 447 CA VAL A 27 2.456 -21.161 -6.375 1.00 1.42 C ATOM 448 C VAL A 27 1.680 -20.280 -5.393 1.00 13.34 C ATOM 449 O VAL A 27 0.534 -19.921 -5.658 1.00 21.41 O ATOM 450 CB VAL A 27 2.185 -20.820 -7.851 1.00 20.32 C ATOM 451 CG1 VAL A 27 2.571 -19.371 -8.146 1.00 20.12 C ATOM 452 CG2 VAL A 27 3.029 -21.713 -8.774 1.00 51.13 C ATOM 0 H VAL A 27 1.257 -22.851 -6.614 1.00 61.31 H new ATOM 0 HA VAL A 27 3.517 -20.979 -6.203 1.00 1.42 H new ATOM 0 HB VAL A 27 1.122 -20.978 -8.031 1.00 20.32 H new ATOM 0 HG11 VAL A 27 2.373 -19.148 -9.194 1.00 20.12 H new ATOM 0 HG12 VAL A 27 1.985 -18.703 -7.515 1.00 20.12 H new ATOM 0 HG13 VAL A 27 3.632 -19.228 -7.939 1.00 20.12 H new ATOM 0 HG21 VAL A 27 2.824 -21.458 -9.814 1.00 51.13 H new ATOM 0 HG22 VAL A 27 4.087 -21.557 -8.563 1.00 51.13 H new ATOM 0 HG23 VAL A 27 2.775 -22.759 -8.600 1.00 51.13 H new ATOM 462 N SER A 28 2.299 -19.973 -4.244 1.00 13.12 N ATOM 463 CA SER A 28 1.628 -19.374 -3.097 1.00 32.24 C ATOM 464 C SER A 28 2.007 -17.905 -2.884 1.00 61.12 C ATOM 465 O SER A 28 3.177 -17.541 -2.976 1.00 32.13 O ATOM 466 CB SER A 28 1.940 -20.213 -1.851 1.00 71.43 C ATOM 467 OG SER A 28 3.328 -20.258 -1.596 1.00 23.24 O ATOM 0 H SER A 28 3.294 -20.139 -4.090 1.00 13.12 H new ATOM 0 HA SER A 28 0.555 -19.375 -3.290 1.00 32.24 H new ATOM 0 HB2 SER A 28 1.423 -19.792 -0.988 1.00 71.43 H new ATOM 0 HB3 SER A 28 1.560 -21.226 -1.988 1.00 71.43 H new ATOM 0 HG SER A 28 3.496 -20.798 -0.796 1.00 23.24 H new ATOM 473 N GLY A 29 1.015 -17.074 -2.535 1.00 14.15 N ATOM 474 CA GLY A 29 1.233 -15.758 -1.947 1.00 63.43 C ATOM 475 C GLY A 29 1.509 -14.648 -2.961 1.00 15.01 C ATOM 476 O GLY A 29 2.368 -13.802 -2.715 1.00 41.15 O ATOM 0 H GLY A 29 0.029 -17.306 -2.657 1.00 14.15 H new ATOM 0 HA2 GLY A 29 0.356 -15.486 -1.360 1.00 63.43 H new ATOM 0 HA3 GLY A 29 2.073 -15.818 -1.255 1.00 63.43 H new ATOM 480 N PHE A 30 0.769 -14.631 -4.076 1.00 13.15 N ATOM 481 CA PHE A 30 0.906 -13.632 -5.129 1.00 55.13 C ATOM 482 C PHE A 30 -0.184 -12.564 -5.011 1.00 52.21 C ATOM 483 O PHE A 30 -1.369 -12.871 -5.115 1.00 34.14 O ATOM 484 CB PHE A 30 0.894 -14.311 -6.503 1.00 11.32 C ATOM 485 CG PHE A 30 -0.295 -15.209 -6.783 1.00 41.33 C ATOM 486 CD1 PHE A 30 -0.283 -16.552 -6.362 1.00 72.14 C ATOM 487 CD2 PHE A 30 -1.428 -14.691 -7.436 1.00 24.24 C ATOM 488 CE1 PHE A 30 -1.435 -17.341 -6.510 1.00 23.20 C ATOM 489 CE2 PHE A 30 -2.583 -15.478 -7.565 1.00 32.12 C ATOM 490 CZ PHE A 30 -2.597 -16.787 -7.070 1.00 33.41 C ATOM 0 H PHE A 30 0.047 -15.325 -4.270 1.00 13.15 H new ATOM 0 HA PHE A 30 1.864 -13.125 -5.015 1.00 55.13 H new ATOM 0 HB2 PHE A 30 0.930 -13.538 -7.270 1.00 11.32 H new ATOM 0 HB3 PHE A 30 1.804 -14.902 -6.603 1.00 11.32 H new ATOM 0 HD1 PHE A 30 0.610 -16.975 -5.926 1.00 72.14 H new ATOM 0 HD2 PHE A 30 -1.409 -13.689 -7.838 1.00 24.24 H new ATOM 0 HE1 PHE A 30 -1.427 -18.373 -6.193 1.00 23.20 H new ATOM 0 HE2 PHE A 30 -3.461 -15.073 -8.046 1.00 32.12 H new ATOM 0 HZ PHE A 30 -3.503 -17.372 -7.119 1.00 33.41 H new ATOM 500 N HIS A 31 0.228 -11.313 -4.777 1.00 22.13 N ATOM 501 CA HIS A 31 -0.661 -10.165 -4.631 1.00 23.24 C ATOM 502 C HIS A 31 -0.403 -9.147 -5.744 1.00 61.41 C ATOM 503 O HIS A 31 0.735 -8.701 -5.885 1.00 74.32 O ATOM 504 CB HIS A 31 -0.438 -9.509 -3.267 1.00 22.23 C ATOM 505 CG HIS A 31 -1.022 -10.339 -2.158 1.00 21.45 C ATOM 506 ND1 HIS A 31 -2.279 -10.079 -1.639 1.00 21.10 N ATOM 507 CD2 HIS A 31 -0.606 -11.495 -1.544 1.00 65.13 C ATOM 508 CE1 HIS A 31 -2.546 -11.041 -0.744 1.00 53.04 C ATOM 509 NE2 HIS A 31 -1.561 -11.935 -0.635 1.00 14.14 N ATOM 0 H HIS A 31 1.214 -11.070 -4.682 1.00 22.13 H new ATOM 0 HA HIS A 31 -1.693 -10.508 -4.703 1.00 23.24 H new ATOM 0 HB2 HIS A 31 0.630 -9.372 -3.098 1.00 22.23 H new ATOM 0 HB3 HIS A 31 -0.892 -8.518 -3.260 1.00 22.23 H new ATOM 0 HD1 HIS A 31 -2.888 -9.301 -1.891 1.00 21.10 H new ATOM 0 HD2 HIS A 31 0.332 -11.993 -1.740 1.00 65.13 H new ATOM 0 HE1 HIS A 31 -3.461 -11.088 -0.172 1.00 53.04 H new ATOM 517 N PRO A 32 -1.423 -8.741 -6.521 1.00 14.34 N ATOM 518 CA PRO A 32 -2.824 -9.157 -6.448 1.00 14.12 C ATOM 519 C PRO A 32 -3.012 -10.555 -7.054 1.00 54.33 C ATOM 520 O PRO A 32 -2.037 -11.216 -7.398 1.00 74.42 O ATOM 521 CB PRO A 32 -3.578 -8.084 -7.239 1.00 60.51 C ATOM 522 CG PRO A 32 -2.572 -7.719 -8.328 1.00 52.22 C ATOM 523 CD PRO A 32 -1.248 -7.751 -7.570 1.00 24.41 C ATOM 0 HA PRO A 32 -3.189 -9.236 -5.424 1.00 14.12 H new ATOM 0 HB2 PRO A 32 -4.510 -8.466 -7.657 1.00 60.51 H new ATOM 0 HB3 PRO A 32 -3.835 -7.226 -6.618 1.00 60.51 H new ATOM 0 HG2 PRO A 32 -2.587 -8.433 -9.151 1.00 52.22 H new ATOM 0 HG3 PRO A 32 -2.773 -6.736 -8.755 1.00 52.22 H new ATOM 0 HD2 PRO A 32 -0.424 -8.021 -8.231 1.00 24.41 H new ATOM 0 HD3 PRO A 32 -1.012 -6.773 -7.151 1.00 24.41 H new ATOM 531 N SER A 33 -4.264 -11.017 -7.177 1.00 22.50 N ATOM 532 CA SER A 33 -4.583 -12.385 -7.575 1.00 62.11 C ATOM 533 C SER A 33 -4.547 -12.621 -9.099 1.00 55.14 C ATOM 534 O SER A 33 -5.253 -13.501 -9.588 1.00 21.44 O ATOM 535 CB SER A 33 -5.948 -12.764 -6.982 1.00 2.53 C ATOM 536 OG SER A 33 -6.964 -11.923 -7.486 1.00 53.24 O ATOM 0 H SER A 33 -5.088 -10.442 -7.000 1.00 22.50 H new ATOM 0 HA SER A 33 -3.802 -13.033 -7.178 1.00 62.11 H new ATOM 0 HB2 SER A 33 -6.178 -13.803 -7.221 1.00 2.53 H new ATOM 0 HB3 SER A 33 -5.912 -12.687 -5.895 1.00 2.53 H new ATOM 0 HG SER A 33 -7.826 -12.182 -7.097 1.00 53.24 H new ATOM 542 N ASP A 34 -3.741 -11.859 -9.853 1.00 32.33 N ATOM 543 CA ASP A 34 -3.771 -11.850 -11.315 1.00 4.42 C ATOM 544 C ASP A 34 -2.623 -12.667 -11.920 1.00 41.02 C ATOM 545 O ASP A 34 -1.780 -12.112 -12.624 1.00 60.24 O ATOM 546 CB ASP A 34 -3.739 -10.391 -11.794 1.00 24.14 C ATOM 547 CG ASP A 34 -4.975 -9.623 -11.335 1.00 51.13 C ATOM 548 OD1 ASP A 34 -6.055 -9.884 -11.908 1.00 12.44 O ATOM 549 OD2 ASP A 34 -4.823 -8.791 -10.413 1.00 53.23 O ATOM 0 H ASP A 34 -3.045 -11.227 -9.457 1.00 32.33 H new ATOM 0 HA ASP A 34 -4.689 -12.328 -11.656 1.00 4.42 H new ATOM 0 HB2 ASP A 34 -2.843 -9.902 -11.412 1.00 24.14 H new ATOM 0 HB3 ASP A 34 -3.677 -10.366 -12.882 1.00 24.14 H new ATOM 554 N ILE A 35 -2.592 -13.982 -11.652 1.00 23.11 N ATOM 555 CA ILE A 35 -1.517 -14.876 -12.091 1.00 0.31 C ATOM 556 C ILE A 35 -1.951 -15.755 -13.270 1.00 42.41 C ATOM 557 O ILE A 35 -3.144 -15.972 -13.476 1.00 42.22 O ATOM 558 CB ILE A 35 -1.014 -15.714 -10.898 1.00 74.41 C ATOM 559 CG1 ILE A 35 0.397 -16.269 -11.156 1.00 32.10 C ATOM 560 CG2 ILE A 35 -1.993 -16.847 -10.553 1.00 3.13 C ATOM 561 CD1 ILE A 35 1.092 -16.667 -9.853 1.00 1.25 C ATOM 0 H ILE A 35 -3.321 -14.456 -11.119 1.00 23.11 H new ATOM 0 HA ILE A 35 -0.689 -14.268 -12.456 1.00 0.31 H new ATOM 0 HB ILE A 35 -0.959 -15.048 -10.037 1.00 74.41 H new ATOM 0 HG12 ILE A 35 0.333 -17.135 -11.814 1.00 32.10 H new ATOM 0 HG13 ILE A 35 0.995 -15.519 -11.674 1.00 32.10 H new ATOM 0 HG21 ILE A 35 -1.607 -17.417 -9.708 1.00 3.13 H new ATOM 0 HG22 ILE A 35 -2.963 -16.423 -10.292 1.00 3.13 H new ATOM 0 HG23 ILE A 35 -2.105 -17.506 -11.414 1.00 3.13 H new ATOM 0 HD11 ILE A 35 2.086 -17.055 -10.075 1.00 1.25 H new ATOM 0 HD12 ILE A 35 1.179 -15.794 -9.206 1.00 1.25 H new ATOM 0 HD13 ILE A 35 0.507 -17.436 -9.349 1.00 1.25 H new ATOM 573 N GLU A 36 -0.970 -16.285 -14.015 1.00 45.52 N ATOM 574 CA GLU A 36 -1.158 -17.238 -15.098 1.00 35.54 C ATOM 575 C GLU A 36 -0.012 -18.255 -15.064 1.00 62.31 C ATOM 576 O GLU A 36 1.046 -18.033 -15.654 1.00 63.23 O ATOM 577 CB GLU A 36 -1.168 -16.516 -16.446 1.00 54.52 C ATOM 578 CG GLU A 36 -2.254 -15.444 -16.570 1.00 14.54 C ATOM 579 CD GLU A 36 -2.215 -14.800 -17.952 1.00 2.11 C ATOM 580 OE1 GLU A 36 -3.060 -15.187 -18.788 1.00 32.45 O ATOM 581 OE2 GLU A 36 -1.329 -13.940 -18.153 1.00 21.12 O ATOM 0 H GLU A 36 0.011 -16.047 -13.867 1.00 45.52 H new ATOM 0 HA GLU A 36 -2.114 -17.747 -14.972 1.00 35.54 H new ATOM 0 HB2 GLU A 36 -0.194 -16.053 -16.606 1.00 54.52 H new ATOM 0 HB3 GLU A 36 -1.305 -17.251 -17.239 1.00 54.52 H new ATOM 0 HG2 GLU A 36 -3.234 -15.889 -16.398 1.00 14.54 H new ATOM 0 HG3 GLU A 36 -2.111 -14.682 -15.803 1.00 14.54 H new ATOM 588 N VAL A 37 -0.231 -19.377 -14.374 1.00 72.13 N ATOM 589 CA VAL A 37 0.722 -20.477 -14.283 1.00 72.42 C ATOM 590 C VAL A 37 0.438 -21.458 -15.422 1.00 1.04 C ATOM 591 O VAL A 37 -0.108 -22.541 -15.214 1.00 72.44 O ATOM 592 CB VAL A 37 0.645 -21.130 -12.895 1.00 42.01 C ATOM 593 CG1 VAL A 37 1.743 -22.188 -12.709 1.00 12.51 C ATOM 594 CG2 VAL A 37 0.794 -20.068 -11.797 1.00 20.10 C ATOM 0 H VAL A 37 -1.093 -19.546 -13.855 1.00 72.13 H new ATOM 0 HA VAL A 37 1.745 -20.118 -14.394 1.00 72.42 H new ATOM 0 HB VAL A 37 -0.329 -21.614 -12.819 1.00 42.01 H new ATOM 0 HG11 VAL A 37 1.658 -22.629 -11.716 1.00 12.51 H new ATOM 0 HG12 VAL A 37 1.629 -22.967 -13.463 1.00 12.51 H new ATOM 0 HG13 VAL A 37 2.721 -21.720 -12.816 1.00 12.51 H new ATOM 0 HG21 VAL A 37 0.737 -20.546 -10.819 1.00 20.10 H new ATOM 0 HG22 VAL A 37 1.757 -19.569 -11.902 1.00 20.10 H new ATOM 0 HG23 VAL A 37 -0.007 -19.334 -11.889 1.00 20.10 H new ATOM 604 N ASP A 38 0.808 -21.047 -16.638 1.00 0.00 N ATOM 605 CA ASP A 38 0.594 -21.798 -17.866 1.00 4.31 C ATOM 606 C ASP A 38 1.815 -22.677 -18.130 1.00 3.51 C ATOM 607 O ASP A 38 2.627 -22.379 -19.004 1.00 53.12 O ATOM 608 CB ASP A 38 0.336 -20.814 -19.013 1.00 65.43 C ATOM 609 CG ASP A 38 0.103 -21.524 -20.348 1.00 41.15 C ATOM 610 OD1 ASP A 38 -0.864 -22.313 -20.413 1.00 12.01 O ATOM 611 OD2 ASP A 38 0.895 -21.265 -21.280 1.00 23.33 O ATOM 0 H ASP A 38 1.278 -20.155 -16.794 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.276 -22.449 -17.780 1.00 4.31 H new ATOM 0 HB2 ASP A 38 -0.533 -20.201 -18.774 1.00 65.43 H new ATOM 0 HB3 ASP A 38 1.186 -20.139 -19.107 1.00 65.43 H new ATOM 616 N LEU A 39 1.952 -23.759 -17.355 1.00 25.15 N ATOM 617 CA LEU A 39 3.114 -24.630 -17.432 1.00 3.41 C ATOM 618 C LEU A 39 3.228 -25.316 -18.785 1.00 15.31 C ATOM 619 O LEU A 39 2.238 -25.462 -19.496 1.00 53.04 O ATOM 620 CB LEU A 39 3.098 -25.643 -16.288 1.00 3.11 C ATOM 621 CG LEU A 39 1.992 -26.703 -16.410 1.00 71.33 C ATOM 622 CD1 LEU A 39 2.611 -28.070 -16.726 1.00 42.43 C ATOM 623 CD2 LEU A 39 1.217 -26.797 -15.090 1.00 3.30 C ATOM 0 H LEU A 39 1.261 -24.048 -16.663 1.00 25.15 H new ATOM 0 HA LEU A 39 4.002 -24.007 -17.326 1.00 3.41 H new ATOM 0 HB2 LEU A 39 4.065 -26.144 -16.246 1.00 3.11 H new ATOM 0 HB3 LEU A 39 2.974 -25.110 -15.345 1.00 3.11 H new ATOM 0 HG LEU A 39 1.315 -26.415 -17.214 1.00 71.33 H new ATOM 0 HD11 LEU A 39 1.821 -28.816 -16.811 1.00 42.43 H new ATOM 0 HD12 LEU A 39 3.159 -28.013 -17.667 1.00 42.43 H new ATOM 0 HD13 LEU A 39 3.294 -28.354 -15.925 1.00 42.43 H new ATOM 0 HD21 LEU A 39 0.434 -27.550 -15.181 1.00 3.30 H new ATOM 0 HD22 LEU A 39 1.899 -27.078 -14.287 1.00 3.30 H new ATOM 0 HD23 LEU A 39 0.767 -25.831 -14.863 1.00 3.30 H new ATOM 635 N LEU A 40 4.459 -25.712 -19.118 1.00 71.44 N ATOM 636 CA LEU A 40 4.827 -26.307 -20.394 1.00 2.55 C ATOM 637 C LEU A 40 5.686 -27.549 -20.155 1.00 32.23 C ATOM 638 O LEU A 40 6.229 -27.743 -19.066 1.00 40.13 O ATOM 639 CB LEU A 40 5.595 -25.290 -21.257 1.00 31.40 C ATOM 640 CG LEU A 40 4.889 -23.938 -21.462 1.00 34.22 C ATOM 641 CD1 LEU A 40 5.818 -23.022 -22.267 1.00 61.22 C ATOM 642 CD2 LEU A 40 3.550 -24.061 -22.201 1.00 54.12 C ATOM 0 H LEU A 40 5.250 -25.622 -18.481 1.00 71.44 H new ATOM 0 HA LEU A 40 3.920 -26.596 -20.925 1.00 2.55 H new ATOM 0 HB2 LEU A 40 6.567 -25.108 -20.797 1.00 31.40 H new ATOM 0 HB3 LEU A 40 5.783 -25.735 -22.234 1.00 31.40 H new ATOM 0 HG LEU A 40 4.672 -23.530 -20.475 1.00 34.22 H new ATOM 0 HD11 LEU A 40 5.333 -22.058 -22.422 1.00 61.22 H new ATOM 0 HD12 LEU A 40 6.749 -22.876 -21.719 1.00 61.22 H new ATOM 0 HD13 LEU A 40 6.033 -23.480 -23.233 1.00 61.22 H new ATOM 0 HD21 LEU A 40 3.104 -23.073 -22.313 1.00 54.12 H new ATOM 0 HD22 LEU A 40 3.717 -24.498 -23.186 1.00 54.12 H new ATOM 0 HD23 LEU A 40 2.877 -24.700 -21.630 1.00 54.12 H new ATOM 654 N LYS A 41 5.803 -28.379 -21.198 1.00 22.11 N ATOM 655 CA LYS A 41 6.582 -29.608 -21.198 1.00 71.34 C ATOM 656 C LYS A 41 7.364 -29.681 -22.508 1.00 73.25 C ATOM 657 O LYS A 41 6.785 -29.910 -23.567 1.00 15.24 O ATOM 658 CB LYS A 41 5.671 -30.824 -20.962 1.00 21.23 C ATOM 659 CG LYS A 41 4.387 -30.855 -21.802 1.00 22.40 C ATOM 660 CD LYS A 41 3.569 -32.107 -21.461 1.00 23.54 C ATOM 661 CE LYS A 41 2.223 -32.141 -22.196 1.00 12.05 C ATOM 662 NZ LYS A 41 2.375 -32.067 -23.660 1.00 21.32 N ATOM 0 H LYS A 41 5.341 -28.202 -22.090 1.00 22.11 H new ATOM 0 HA LYS A 41 7.300 -29.615 -20.378 1.00 71.34 H new ATOM 0 HB2 LYS A 41 6.242 -31.730 -21.167 1.00 21.23 H new ATOM 0 HB3 LYS A 41 5.396 -30.852 -19.908 1.00 21.23 H new ATOM 0 HG2 LYS A 41 3.795 -29.960 -21.610 1.00 22.40 H new ATOM 0 HG3 LYS A 41 4.636 -30.851 -22.863 1.00 22.40 H new ATOM 0 HD2 LYS A 41 4.144 -32.996 -21.720 1.00 23.54 H new ATOM 0 HD3 LYS A 41 3.394 -32.142 -20.386 1.00 23.54 H new ATOM 0 HE2 LYS A 41 1.694 -33.058 -21.935 1.00 12.05 H new ATOM 0 HE3 LYS A 41 1.606 -31.309 -21.856 1.00 12.05 H new ATOM 0 HZ1 LYS A 41 1.443 -32.162 -24.111 1.00 21.32 H new ATOM 0 HZ2 LYS A 41 2.794 -31.151 -23.920 1.00 21.32 H new ATOM 0 HZ3 LYS A 41 2.996 -32.836 -23.984 1.00 21.32 H new ATOM 676 N ASN A 42 8.679 -29.439 -22.436 1.00 51.01 N ATOM 677 CA ASN A 42 9.559 -29.321 -23.593 1.00 0.12 C ATOM 678 C ASN A 42 9.051 -28.238 -24.549 1.00 75.15 C ATOM 679 O ASN A 42 9.085 -28.409 -25.767 1.00 2.11 O ATOM 680 CB ASN A 42 9.753 -30.683 -24.279 1.00 2.24 C ATOM 681 CG ASN A 42 10.297 -31.727 -23.307 1.00 4.24 C ATOM 682 OD1 ASN A 42 11.510 -31.878 -23.178 1.00 44.12 O ATOM 683 ND2 ASN A 42 9.401 -32.445 -22.623 1.00 42.55 N ATOM 0 H ASN A 42 9.167 -29.318 -21.548 1.00 51.01 H new ATOM 0 HA ASN A 42 10.546 -29.004 -23.255 1.00 0.12 H new ATOM 0 HB2 ASN A 42 8.802 -31.025 -24.687 1.00 2.24 H new ATOM 0 HB3 ASN A 42 10.439 -30.574 -25.119 1.00 2.24 H new ATOM 0 HD21 ASN A 42 9.714 -33.154 -21.960 1.00 42.55 H new ATOM 0 HD22 ASN A 42 8.404 -32.284 -22.764 1.00 42.55 H new ATOM 690 N GLY A 43 8.561 -27.126 -23.984 1.00 52.33 N ATOM 691 CA GLY A 43 8.017 -26.002 -24.729 1.00 34.10 C ATOM 692 C GLY A 43 6.554 -26.195 -25.148 1.00 45.42 C ATOM 693 O GLY A 43 5.887 -25.205 -25.448 1.00 52.24 O ATOM 0 H GLY A 43 8.535 -26.988 -22.974 1.00 52.33 H new ATOM 0 HA2 GLY A 43 8.096 -25.101 -24.121 1.00 34.10 H new ATOM 0 HA3 GLY A 43 8.623 -25.840 -25.620 1.00 34.10 H new ATOM 697 N GLU A 44 6.046 -27.438 -25.189 1.00 52.33 N ATOM 698 CA GLU A 44 4.711 -27.737 -25.698 1.00 42.34 C ATOM 699 C GLU A 44 3.630 -27.208 -24.756 1.00 4.14 C ATOM 700 O GLU A 44 3.851 -27.105 -23.550 1.00 42.13 O ATOM 701 CB GLU A 44 4.516 -29.249 -25.855 1.00 40.41 C ATOM 702 CG GLU A 44 5.574 -29.923 -26.733 1.00 61.14 C ATOM 703 CD GLU A 44 5.263 -31.409 -26.893 1.00 12.01 C ATOM 704 OE1 GLU A 44 5.033 -31.824 -28.050 1.00 11.03 O ATOM 705 OE2 GLU A 44 5.246 -32.102 -25.852 1.00 72.31 O ATOM 0 H GLU A 44 6.556 -28.261 -24.868 1.00 52.33 H new ATOM 0 HA GLU A 44 4.621 -27.247 -26.668 1.00 42.34 H new ATOM 0 HB2 GLU A 44 4.529 -29.712 -24.868 1.00 40.41 H new ATOM 0 HB3 GLU A 44 3.531 -29.436 -26.282 1.00 40.41 H new ATOM 0 HG2 GLU A 44 5.603 -29.443 -27.711 1.00 61.14 H new ATOM 0 HG3 GLU A 44 6.560 -29.797 -26.287 1.00 61.14 H new ATOM 712 N ARG A 45 2.442 -26.927 -25.312 1.00 41.15 N ATOM 713 CA ARG A 45 1.268 -26.562 -24.532 1.00 14.51 C ATOM 714 C ARG A 45 0.838 -27.736 -23.648 1.00 3.33 C ATOM 715 O ARG A 45 1.078 -28.896 -23.986 1.00 64.13 O ATOM 716 CB ARG A 45 0.126 -26.096 -25.450 1.00 51.51 C ATOM 717 CG ARG A 45 -0.556 -27.254 -26.193 1.00 71.12 C ATOM 718 CD ARG A 45 -1.679 -26.759 -27.107 1.00 40.34 C ATOM 719 NE ARG A 45 -2.389 -27.898 -27.703 1.00 43.15 N ATOM 720 CZ ARG A 45 -3.437 -27.809 -28.539 1.00 13.50 C ATOM 721 NH1 ARG A 45 -3.917 -26.616 -28.923 1.00 73.22 N ATOM 722 NH2 ARG A 45 -4.012 -28.930 -28.995 1.00 53.01 N ATOM 0 H ARG A 45 2.276 -26.949 -26.318 1.00 41.15 H new ATOM 0 HA ARG A 45 1.522 -25.725 -23.881 1.00 14.51 H new ATOM 0 HB2 ARG A 45 -0.617 -25.565 -24.855 1.00 51.51 H new ATOM 0 HB3 ARG A 45 0.519 -25.386 -26.178 1.00 51.51 H new ATOM 0 HG2 ARG A 45 0.184 -27.792 -26.785 1.00 71.12 H new ATOM 0 HG3 ARG A 45 -0.961 -27.962 -25.470 1.00 71.12 H new ATOM 0 HD2 ARG A 45 -2.376 -26.144 -26.538 1.00 40.34 H new ATOM 0 HD3 ARG A 45 -1.266 -26.127 -27.893 1.00 40.34 H new ATOM 0 HE ARG A 45 -2.060 -28.833 -27.463 1.00 43.15 H new ATOM 0 HH11 ARG A 45 -3.485 -25.758 -28.580 1.00 73.22 H new ATOM 0 HH12 ARG A 45 -4.713 -26.567 -29.558 1.00 73.22 H new ATOM 0 HH21 ARG A 45 -3.654 -29.841 -28.707 1.00 53.01 H new ATOM 0 HH22 ARG A 45 -4.808 -28.873 -29.630 1.00 53.01 H new ATOM 736 N ILE A 46 0.204 -27.419 -22.515 1.00 11.31 N ATOM 737 CA ILE A 46 -0.237 -28.398 -21.535 1.00 11.34 C ATOM 738 C ILE A 46 -1.688 -28.808 -21.793 1.00 13.43 C ATOM 739 O ILE A 46 -2.528 -27.971 -22.120 1.00 2.05 O ATOM 740 CB ILE A 46 -0.019 -27.837 -20.117 1.00 53.22 C ATOM 741 CG1 ILE A 46 -0.256 -28.891 -19.026 1.00 41.05 C ATOM 742 CG2 ILE A 46 -0.881 -26.600 -19.823 1.00 14.53 C ATOM 743 CD1 ILE A 46 0.694 -30.085 -19.161 1.00 31.34 C ATOM 0 H ILE A 46 -0.017 -26.458 -22.255 1.00 11.31 H new ATOM 0 HA ILE A 46 0.358 -29.307 -21.627 1.00 11.34 H new ATOM 0 HB ILE A 46 1.029 -27.537 -20.094 1.00 53.22 H new ATOM 0 HG12 ILE A 46 -0.125 -28.433 -18.046 1.00 41.05 H new ATOM 0 HG13 ILE A 46 -1.287 -29.241 -19.079 1.00 41.05 H new ATOM 0 HG21 ILE A 46 -0.683 -26.251 -18.809 1.00 14.53 H new ATOM 0 HG22 ILE A 46 -0.637 -25.810 -20.533 1.00 14.53 H new ATOM 0 HG23 ILE A 46 -1.935 -26.860 -19.918 1.00 14.53 H new ATOM 0 HD11 ILE A 46 0.489 -30.804 -18.368 1.00 31.34 H new ATOM 0 HD12 ILE A 46 0.545 -30.561 -20.130 1.00 31.34 H new ATOM 0 HD13 ILE A 46 1.725 -29.740 -19.081 1.00 31.34 H new ATOM 755 N GLU A 47 -1.969 -30.108 -21.640 1.00 31.10 N ATOM 756 CA GLU A 47 -3.286 -30.695 -21.807 1.00 0.25 C ATOM 757 C GLU A 47 -3.982 -30.716 -20.447 1.00 73.41 C ATOM 758 O GLU A 47 -4.030 -31.750 -19.783 1.00 1.23 O ATOM 759 CB GLU A 47 -3.166 -32.105 -22.412 1.00 23.22 C ATOM 760 CG GLU A 47 -2.875 -32.088 -23.920 1.00 3.43 C ATOM 761 CD GLU A 47 -1.544 -31.430 -24.277 1.00 5.40 C ATOM 762 OE1 GLU A 47 -1.583 -30.442 -25.041 1.00 74.33 O ATOM 763 OE2 GLU A 47 -0.511 -31.927 -23.780 1.00 42.01 O ATOM 0 H GLU A 47 -1.257 -30.794 -21.389 1.00 31.10 H new ATOM 0 HA GLU A 47 -3.884 -30.101 -22.498 1.00 0.25 H new ATOM 0 HB2 GLU A 47 -2.371 -32.648 -21.900 1.00 23.22 H new ATOM 0 HB3 GLU A 47 -4.092 -32.652 -22.232 1.00 23.22 H new ATOM 0 HG2 GLU A 47 -2.877 -33.112 -24.294 1.00 3.43 H new ATOM 0 HG3 GLU A 47 -3.680 -31.561 -24.431 1.00 3.43 H new ATOM 770 N LYS A 48 -4.525 -29.555 -20.062 1.00 12.05 N ATOM 771 CA LYS A 48 -5.369 -29.333 -18.894 1.00 15.04 C ATOM 772 C LYS A 48 -4.584 -29.425 -17.583 1.00 13.20 C ATOM 773 O LYS A 48 -4.190 -30.510 -17.159 1.00 41.43 O ATOM 774 CB LYS A 48 -6.600 -30.256 -18.900 1.00 52.51 C ATOM 775 CG LYS A 48 -7.554 -30.012 -17.718 1.00 64.41 C ATOM 776 CD LYS A 48 -8.065 -28.571 -17.577 1.00 41.15 C ATOM 777 CE LYS A 48 -8.808 -28.089 -18.828 1.00 4.21 C ATOM 778 NZ LYS A 48 -9.404 -26.760 -18.612 1.00 34.43 N ATOM 0 H LYS A 48 -4.375 -28.697 -20.593 1.00 12.05 H new ATOM 0 HA LYS A 48 -5.737 -28.309 -18.959 1.00 15.04 H new ATOM 0 HB2 LYS A 48 -7.146 -30.115 -19.833 1.00 52.51 H new ATOM 0 HB3 LYS A 48 -6.267 -31.294 -18.880 1.00 52.51 H new ATOM 0 HG2 LYS A 48 -8.412 -30.676 -17.821 1.00 64.41 H new ATOM 0 HG3 LYS A 48 -7.044 -30.291 -16.796 1.00 64.41 H new ATOM 0 HD2 LYS A 48 -8.730 -28.507 -16.716 1.00 41.15 H new ATOM 0 HD3 LYS A 48 -7.223 -27.908 -17.380 1.00 41.15 H new ATOM 0 HE2 LYS A 48 -8.119 -28.049 -19.671 1.00 4.21 H new ATOM 0 HE3 LYS A 48 -9.589 -28.803 -19.089 1.00 4.21 H new ATOM 0 HZ1 LYS A 48 -9.901 -26.458 -19.474 1.00 34.43 H new ATOM 0 HZ2 LYS A 48 -10.079 -26.806 -17.822 1.00 34.43 H new ATOM 0 HZ3 LYS A 48 -8.654 -26.076 -18.387 1.00 34.43 H new ATOM 792 N VAL A 49 -4.415 -28.275 -16.921 1.00 2.20 N ATOM 793 CA VAL A 49 -3.876 -28.169 -15.575 1.00 73.53 C ATOM 794 C VAL A 49 -5.025 -28.337 -14.579 1.00 22.52 C ATOM 795 O VAL A 49 -6.095 -27.762 -14.784 1.00 11.14 O ATOM 796 CB VAL A 49 -3.208 -26.793 -15.400 1.00 25.31 C ATOM 797 CG1 VAL A 49 -2.520 -26.694 -14.033 1.00 2.13 C ATOM 798 CG2 VAL A 49 -2.175 -26.532 -16.503 1.00 33.32 C ATOM 0 H VAL A 49 -4.659 -27.371 -17.325 1.00 2.20 H new ATOM 0 HA VAL A 49 -3.128 -28.942 -15.400 1.00 73.53 H new ATOM 0 HB VAL A 49 -3.994 -26.041 -15.467 1.00 25.31 H new ATOM 0 HG11 VAL A 49 -2.054 -25.714 -13.930 1.00 2.13 H new ATOM 0 HG12 VAL A 49 -3.259 -26.829 -13.243 1.00 2.13 H new ATOM 0 HG13 VAL A 49 -1.757 -27.468 -13.953 1.00 2.13 H new ATOM 0 HG21 VAL A 49 -1.721 -25.553 -16.352 1.00 33.32 H new ATOM 0 HG22 VAL A 49 -1.402 -27.300 -16.467 1.00 33.32 H new ATOM 0 HG23 VAL A 49 -2.667 -26.558 -17.475 1.00 33.32 H new ATOM 808 N GLU A 50 -4.799 -29.090 -13.494 1.00 3.10 N ATOM 809 CA GLU A 50 -5.726 -29.179 -12.373 1.00 14.41 C ATOM 810 C GLU A 50 -5.223 -28.258 -11.262 1.00 52.01 C ATOM 811 O GLU A 50 -4.041 -28.293 -10.926 1.00 4.00 O ATOM 812 CB GLU A 50 -5.827 -30.621 -11.873 1.00 11.23 C ATOM 813 CG GLU A 50 -6.454 -31.566 -12.904 1.00 52.11 C ATOM 814 CD GLU A 50 -6.656 -32.960 -12.312 1.00 40.32 C ATOM 815 OE1 GLU A 50 -5.896 -33.868 -12.709 1.00 11.25 O ATOM 816 OE2 GLU A 50 -7.565 -33.091 -11.463 1.00 20.31 O ATOM 0 H GLU A 50 -3.959 -29.656 -13.375 1.00 3.10 H new ATOM 0 HA GLU A 50 -6.722 -28.870 -12.688 1.00 14.41 H new ATOM 0 HB2 GLU A 50 -4.831 -30.982 -11.615 1.00 11.23 H new ATOM 0 HB3 GLU A 50 -6.421 -30.643 -10.959 1.00 11.23 H new ATOM 0 HG2 GLU A 50 -7.412 -31.165 -13.236 1.00 52.11 H new ATOM 0 HG3 GLU A 50 -5.813 -31.629 -13.783 1.00 52.11 H new ATOM 823 N HIS A 51 -6.118 -27.426 -10.715 1.00 72.11 N ATOM 824 CA HIS A 51 -5.806 -26.381 -9.745 1.00 72.32 C ATOM 825 C HIS A 51 -6.661 -26.549 -8.487 1.00 2.12 C ATOM 826 O HIS A 51 -7.803 -26.997 -8.571 1.00 11.15 O ATOM 827 CB HIS A 51 -6.011 -25.009 -10.395 1.00 24.52 C ATOM 828 CG HIS A 51 -7.419 -24.765 -10.876 1.00 61.24 C ATOM 829 ND1 HIS A 51 -8.398 -24.200 -10.073 1.00 73.34 N ATOM 830 CD2 HIS A 51 -8.035 -25.017 -12.077 1.00 54.04 C ATOM 831 CE1 HIS A 51 -9.521 -24.127 -10.808 1.00 43.22 C ATOM 832 NE2 HIS A 51 -9.366 -24.611 -12.042 1.00 52.21 N ATOM 0 H HIS A 51 -7.111 -27.467 -10.946 1.00 72.11 H new ATOM 0 HA HIS A 51 -4.763 -26.461 -9.438 1.00 72.32 H new ATOM 0 HB2 HIS A 51 -5.743 -24.234 -9.677 1.00 24.52 H new ATOM 0 HB3 HIS A 51 -5.327 -24.912 -11.238 1.00 24.52 H new ATOM 0 HD2 HIS A 51 -7.553 -25.468 -12.932 1.00 54.04 H new ATOM 0 HE1 HIS A 51 -10.451 -23.720 -10.439 1.00 43.22 H new ATOM 0 HE2 HIS A 51 -10.061 -24.670 -12.786 1.00 52.21 H new ATOM 840 N SER A 52 -6.106 -26.182 -7.323 1.00 11.11 N ATOM 841 CA SER A 52 -6.769 -26.319 -6.027 1.00 12.32 C ATOM 842 C SER A 52 -7.615 -25.090 -5.664 1.00 45.03 C ATOM 843 O SER A 52 -8.015 -24.954 -4.510 1.00 12.54 O ATOM 844 CB SER A 52 -5.707 -26.599 -4.955 1.00 22.30 C ATOM 845 OG SER A 52 -6.295 -26.962 -3.724 1.00 12.44 O ATOM 0 H SER A 52 -5.172 -25.777 -7.259 1.00 11.11 H new ATOM 0 HA SER A 52 -7.467 -27.154 -6.084 1.00 12.32 H new ATOM 0 HB2 SER A 52 -5.049 -27.399 -5.294 1.00 22.30 H new ATOM 0 HB3 SER A 52 -5.087 -25.713 -4.816 1.00 22.30 H new ATOM 0 HG SER A 52 -7.075 -26.394 -3.554 1.00 12.44 H new ATOM 851 N ASP A 53 -7.886 -24.200 -6.632 1.00 23.12 N ATOM 852 CA ASP A 53 -8.671 -22.978 -6.468 1.00 51.34 C ATOM 853 C ASP A 53 -7.969 -21.956 -5.568 1.00 72.14 C ATOM 854 O ASP A 53 -6.946 -22.253 -4.953 1.00 21.30 O ATOM 855 CB ASP A 53 -10.100 -23.280 -5.988 1.00 2.20 C ATOM 856 CG ASP A 53 -10.787 -24.320 -6.867 1.00 42.01 C ATOM 857 OD1 ASP A 53 -11.313 -23.912 -7.925 1.00 33.51 O ATOM 858 OD2 ASP A 53 -10.771 -25.506 -6.470 1.00 13.41 O ATOM 0 H ASP A 53 -7.548 -24.322 -7.587 1.00 23.12 H new ATOM 0 HA ASP A 53 -8.753 -22.520 -7.454 1.00 51.34 H new ATOM 0 HB2 ASP A 53 -10.069 -23.638 -4.959 1.00 2.20 H new ATOM 0 HB3 ASP A 53 -10.685 -22.360 -5.989 1.00 2.20 H new ATOM 863 N LEU A 54 -8.521 -20.737 -5.521 1.00 61.22 N ATOM 864 CA LEU A 54 -7.958 -19.596 -4.812 1.00 53.32 C ATOM 865 C LEU A 54 -8.144 -19.777 -3.299 1.00 0.23 C ATOM 866 O LEU A 54 -9.063 -19.216 -2.703 1.00 13.40 O ATOM 867 CB LEU A 54 -8.621 -18.312 -5.336 1.00 11.42 C ATOM 868 CG LEU A 54 -7.849 -17.054 -4.909 1.00 33.11 C ATOM 869 CD1 LEU A 54 -6.698 -16.773 -5.883 1.00 12.22 C ATOM 870 CD2 LEU A 54 -8.779 -15.837 -4.889 1.00 4.11 C ATOM 0 H LEU A 54 -9.399 -20.518 -5.992 1.00 61.22 H new ATOM 0 HA LEU A 54 -6.886 -19.521 -4.992 1.00 53.32 H new ATOM 0 HB2 LEU A 54 -8.679 -18.351 -6.424 1.00 11.42 H new ATOM 0 HB3 LEU A 54 -9.644 -18.254 -4.964 1.00 11.42 H new ATOM 0 HG LEU A 54 -7.450 -17.230 -3.910 1.00 33.11 H new ATOM 0 HD11 LEU A 54 -6.162 -15.879 -5.565 1.00 12.22 H new ATOM 0 HD12 LEU A 54 -6.014 -17.622 -5.892 1.00 12.22 H new ATOM 0 HD13 LEU A 54 -7.099 -16.619 -6.885 1.00 12.22 H new ATOM 0 HD21 LEU A 54 -8.217 -14.954 -4.585 1.00 4.11 H new ATOM 0 HD22 LEU A 54 -9.192 -15.678 -5.885 1.00 4.11 H new ATOM 0 HD23 LEU A 54 -9.591 -16.011 -4.183 1.00 4.11 H new ATOM 882 N SER A 55 -7.267 -20.581 -2.690 1.00 14.01 N ATOM 883 CA SER A 55 -7.392 -21.038 -1.314 1.00 63.14 C ATOM 884 C SER A 55 -6.641 -20.088 -0.385 1.00 43.45 C ATOM 885 O SER A 55 -5.474 -19.779 -0.620 1.00 11.42 O ATOM 886 CB SER A 55 -6.861 -22.468 -1.192 1.00 40.42 C ATOM 887 OG SER A 55 -7.548 -23.317 -2.085 1.00 51.42 O ATOM 0 H SER A 55 -6.433 -20.937 -3.156 1.00 14.01 H new ATOM 0 HA SER A 55 -8.442 -21.040 -1.022 1.00 63.14 H new ATOM 0 HB2 SER A 55 -5.793 -22.487 -1.408 1.00 40.42 H new ATOM 0 HB3 SER A 55 -6.986 -22.825 -0.170 1.00 40.42 H new ATOM 0 HG SER A 55 -7.327 -23.070 -3.007 1.00 51.42 H new ATOM 893 N PHE A 56 -7.327 -19.614 0.659 1.00 60.13 N ATOM 894 CA PHE A 56 -6.843 -18.586 1.565 1.00 31.10 C ATOM 895 C PHE A 56 -6.122 -19.224 2.752 1.00 60.21 C ATOM 896 O PHE A 56 -6.750 -19.906 3.560 1.00 40.43 O ATOM 897 CB PHE A 56 -8.038 -17.752 2.036 1.00 5.50 C ATOM 898 CG PHE A 56 -8.803 -17.086 0.908 1.00 43.03 C ATOM 899 CD1 PHE A 56 -9.967 -17.688 0.394 1.00 72.14 C ATOM 900 CD2 PHE A 56 -8.314 -15.902 0.327 1.00 33.44 C ATOM 901 CE1 PHE A 56 -10.647 -17.100 -0.686 1.00 13.30 C ATOM 902 CE2 PHE A 56 -9.003 -15.306 -0.743 1.00 54.43 C ATOM 903 CZ PHE A 56 -10.172 -15.902 -1.247 1.00 60.21 C ATOM 0 H PHE A 56 -8.260 -19.949 0.898 1.00 60.13 H new ATOM 0 HA PHE A 56 -6.129 -17.941 1.053 1.00 31.10 H new ATOM 0 HB2 PHE A 56 -8.719 -18.394 2.595 1.00 5.50 H new ATOM 0 HB3 PHE A 56 -7.685 -16.985 2.725 1.00 5.50 H new ATOM 0 HD1 PHE A 56 -10.338 -18.603 0.831 1.00 72.14 H new ATOM 0 HD2 PHE A 56 -7.408 -15.450 0.704 1.00 33.44 H new ATOM 0 HE1 PHE A 56 -11.535 -17.569 -1.085 1.00 13.30 H new ATOM 0 HE2 PHE A 56 -8.634 -14.389 -1.178 1.00 54.43 H new ATOM 0 HZ PHE A 56 -10.705 -15.440 -2.065 1.00 60.21 H new ATOM 913 N SER A 57 -4.808 -18.987 2.869 1.00 21.32 N ATOM 914 CA SER A 57 -4.018 -19.449 4.003 1.00 74.33 C ATOM 915 C SER A 57 -4.428 -18.715 5.284 1.00 3.11 C ATOM 916 O SER A 57 -4.613 -19.349 6.321 1.00 74.34 O ATOM 917 CB SER A 57 -2.523 -19.286 3.706 1.00 61.22 C ATOM 918 OG SER A 57 -2.217 -17.955 3.350 1.00 11.04 O ATOM 0 H SER A 57 -4.269 -18.468 2.176 1.00 21.32 H new ATOM 0 HA SER A 57 -4.213 -20.510 4.163 1.00 74.33 H new ATOM 0 HB2 SER A 57 -1.942 -19.574 4.582 1.00 61.22 H new ATOM 0 HB3 SER A 57 -2.235 -19.957 2.897 1.00 61.22 H new ATOM 0 HG SER A 57 -2.432 -17.812 2.405 1.00 11.04 H new ATOM 924 N LYS A 58 -4.581 -17.387 5.203 1.00 32.44 N ATOM 925 CA LYS A 58 -5.049 -16.547 6.298 1.00 43.15 C ATOM 926 C LYS A 58 -5.664 -15.257 5.742 1.00 43.44 C ATOM 927 O LYS A 58 -5.436 -14.173 6.276 1.00 52.24 O ATOM 928 CB LYS A 58 -3.906 -16.294 7.298 1.00 61.11 C ATOM 929 CG LYS A 58 -2.661 -15.655 6.664 1.00 33.21 C ATOM 930 CD LYS A 58 -1.579 -15.453 7.728 1.00 31.15 C ATOM 931 CE LYS A 58 -0.335 -14.800 7.118 1.00 3.01 C ATOM 932 NZ LYS A 58 0.730 -14.641 8.123 1.00 32.42 N ATOM 0 H LYS A 58 -4.377 -16.861 4.353 1.00 32.44 H new ATOM 0 HA LYS A 58 -5.837 -17.058 6.851 1.00 43.15 H new ATOM 0 HB2 LYS A 58 -4.270 -15.646 8.096 1.00 61.11 H new ATOM 0 HB3 LYS A 58 -3.623 -17.240 7.760 1.00 61.11 H new ATOM 0 HG2 LYS A 58 -2.282 -16.291 5.864 1.00 33.21 H new ATOM 0 HG3 LYS A 58 -2.923 -14.698 6.213 1.00 33.21 H new ATOM 0 HD2 LYS A 58 -1.966 -14.828 8.533 1.00 31.15 H new ATOM 0 HD3 LYS A 58 -1.312 -16.413 8.169 1.00 31.15 H new ATOM 0 HE2 LYS A 58 0.030 -15.409 6.291 1.00 3.01 H new ATOM 0 HE3 LYS A 58 -0.598 -13.826 6.705 1.00 3.01 H new ATOM 0 HZ1 LYS A 58 1.560 -14.196 7.682 1.00 32.42 H new ATOM 0 HZ2 LYS A 58 0.387 -14.040 8.900 1.00 32.42 H new ATOM 0 HZ3 LYS A 58 0.996 -15.574 8.498 1.00 32.42 H new ATOM 946 N ASP A 59 -6.443 -15.392 4.659 1.00 11.00 N ATOM 947 CA ASP A 59 -7.056 -14.301 3.910 1.00 52.21 C ATOM 948 C ASP A 59 -6.032 -13.215 3.569 1.00 43.32 C ATOM 949 O ASP A 59 -6.220 -12.041 3.885 1.00 44.24 O ATOM 950 CB ASP A 59 -8.295 -13.774 4.648 1.00 43.44 C ATOM 951 CG ASP A 59 -9.111 -12.817 3.778 1.00 11.51 C ATOM 952 OD1 ASP A 59 -9.510 -13.249 2.674 1.00 31.14 O ATOM 953 OD2 ASP A 59 -9.319 -11.670 4.230 1.00 42.22 O ATOM 0 H ASP A 59 -6.669 -16.307 4.269 1.00 11.00 H new ATOM 0 HA ASP A 59 -7.407 -14.680 2.950 1.00 52.21 H new ATOM 0 HB2 ASP A 59 -8.921 -14.613 4.951 1.00 43.44 H new ATOM 0 HB3 ASP A 59 -7.985 -13.262 5.559 1.00 43.44 H new ATOM 958 N GLY A 60 -4.933 -13.621 2.923 1.00 4.21 N ATOM 959 CA GLY A 60 -3.893 -12.701 2.495 1.00 73.52 C ATOM 960 C GLY A 60 -2.667 -13.438 1.962 1.00 14.13 C ATOM 961 O GLY A 60 -1.544 -13.043 2.270 1.00 41.22 O ATOM 0 H GLY A 60 -4.747 -14.596 2.686 1.00 4.21 H new ATOM 0 HA2 GLY A 60 -4.286 -12.043 1.720 1.00 73.52 H new ATOM 0 HA3 GLY A 60 -3.601 -12.068 3.333 1.00 73.52 H new ATOM 965 N SER A 61 -2.898 -14.483 1.152 1.00 43.31 N ATOM 966 CA SER A 61 -1.912 -15.273 0.420 1.00 22.25 C ATOM 967 C SER A 61 -2.641 -16.471 -0.190 1.00 21.32 C ATOM 968 O SER A 61 -3.215 -17.282 0.536 1.00 3.30 O ATOM 969 CB SER A 61 -0.736 -15.735 1.299 1.00 2.10 C ATOM 970 OG SER A 61 0.320 -14.797 1.271 1.00 64.22 O ATOM 0 H SER A 61 -3.847 -14.816 0.984 1.00 43.31 H new ATOM 0 HA SER A 61 -1.466 -14.649 -0.355 1.00 22.25 H new ATOM 0 HB2 SER A 61 -1.077 -15.872 2.325 1.00 2.10 H new ATOM 0 HB3 SER A 61 -0.376 -16.703 0.950 1.00 2.10 H new ATOM 0 HG SER A 61 -0.002 -13.931 1.599 1.00 64.22 H new ATOM 976 N PHE A 62 -2.646 -16.547 -1.527 1.00 34.14 N ATOM 977 CA PHE A 62 -3.512 -17.435 -2.291 1.00 54.03 C ATOM 978 C PHE A 62 -2.706 -18.623 -2.819 1.00 23.34 C ATOM 979 O PHE A 62 -1.811 -18.418 -3.637 1.00 53.04 O ATOM 980 CB PHE A 62 -4.142 -16.644 -3.447 1.00 11.21 C ATOM 981 CG PHE A 62 -4.614 -15.244 -3.090 1.00 21.15 C ATOM 982 CD1 PHE A 62 -4.149 -14.134 -3.823 1.00 52.22 C ATOM 983 CD2 PHE A 62 -5.408 -15.037 -1.946 1.00 24.22 C ATOM 984 CE1 PHE A 62 -4.442 -12.829 -3.392 1.00 51.05 C ATOM 985 CE2 PHE A 62 -5.693 -13.732 -1.510 1.00 2.40 C ATOM 986 CZ PHE A 62 -5.219 -12.629 -2.238 1.00 53.35 C ATOM 0 H PHE A 62 -2.034 -15.979 -2.113 1.00 34.14 H new ATOM 0 HA PHE A 62 -4.305 -17.823 -1.652 1.00 54.03 H new ATOM 0 HB2 PHE A 62 -3.414 -16.570 -4.255 1.00 11.21 H new ATOM 0 HB3 PHE A 62 -4.990 -17.209 -3.833 1.00 11.21 H new ATOM 0 HD1 PHE A 62 -3.566 -14.287 -4.719 1.00 52.22 H new ATOM 0 HD2 PHE A 62 -5.799 -15.884 -1.402 1.00 24.22 H new ATOM 0 HE1 PHE A 62 -4.070 -11.980 -3.947 1.00 51.05 H new ATOM 0 HE2 PHE A 62 -6.277 -13.577 -0.615 1.00 2.40 H new ATOM 0 HZ PHE A 62 -5.452 -11.626 -1.911 1.00 53.35 H new ATOM 996 N TYR A 63 -2.993 -19.844 -2.344 1.00 2.13 N ATOM 997 CA TYR A 63 -2.204 -21.026 -2.682 1.00 3.30 C ATOM 998 C TYR A 63 -2.930 -21.967 -3.648 1.00 41.22 C ATOM 999 O TYR A 63 -3.903 -22.620 -3.277 1.00 54.14 O ATOM 1000 CB TYR A 63 -1.723 -21.732 -1.407 1.00 65.23 C ATOM 1001 CG TYR A 63 -2.772 -22.394 -0.530 1.00 1.11 C ATOM 1002 CD1 TYR A 63 -3.071 -23.760 -0.701 1.00 43.13 C ATOM 1003 CD2 TYR A 63 -3.384 -21.675 0.513 1.00 72.22 C ATOM 1004 CE1 TYR A 63 -3.995 -24.396 0.146 1.00 34.44 C ATOM 1005 CE2 TYR A 63 -4.313 -22.310 1.357 1.00 63.35 C ATOM 1006 CZ TYR A 63 -4.617 -23.670 1.175 1.00 1.35 C ATOM 1007 OH TYR A 63 -5.520 -24.286 1.991 1.00 53.04 O ATOM 0 H TYR A 63 -3.776 -20.034 -1.718 1.00 2.13 H new ATOM 0 HA TYR A 63 -1.321 -20.692 -3.226 1.00 3.30 H new ATOM 0 HB2 TYR A 63 -0.999 -22.493 -1.698 1.00 65.23 H new ATOM 0 HB3 TYR A 63 -1.190 -21.001 -0.799 1.00 65.23 H new ATOM 0 HD1 TYR A 63 -2.588 -24.321 -1.487 1.00 43.13 H new ATOM 0 HD2 TYR A 63 -3.140 -20.634 0.666 1.00 72.22 H new ATOM 0 HE1 TYR A 63 -4.226 -25.442 0.006 1.00 34.44 H new ATOM 0 HE2 TYR A 63 -4.794 -21.751 2.146 1.00 63.35 H new ATOM 0 HH TYR A 63 -5.856 -23.644 2.650 1.00 53.04 H new ATOM 1017 N LEU A 64 -2.435 -22.043 -4.890 1.00 74.34 N ATOM 1018 CA LEU A 64 -2.933 -22.953 -5.916 1.00 4.01 C ATOM 1019 C LEU A 64 -1.909 -24.050 -6.195 1.00 1.32 C ATOM 1020 O LEU A 64 -0.738 -23.758 -6.436 1.00 62.15 O ATOM 1021 CB LEU A 64 -3.213 -22.170 -7.199 1.00 45.03 C ATOM 1022 CG LEU A 64 -4.478 -21.306 -7.065 1.00 20.54 C ATOM 1023 CD1 LEU A 64 -4.128 -19.828 -7.169 1.00 31.33 C ATOM 1024 CD2 LEU A 64 -5.521 -21.681 -8.121 1.00 64.34 C ATOM 0 H LEU A 64 -1.662 -21.460 -5.211 1.00 74.34 H new ATOM 0 HA LEU A 64 -3.854 -23.416 -5.562 1.00 4.01 H new ATOM 0 HB2 LEU A 64 -2.359 -21.534 -7.432 1.00 45.03 H new ATOM 0 HB3 LEU A 64 -3.331 -22.863 -8.032 1.00 45.03 H new ATOM 0 HG LEU A 64 -4.910 -21.497 -6.082 1.00 20.54 H new ATOM 0 HD11 LEU A 64 -5.035 -19.232 -7.072 1.00 31.33 H new ATOM 0 HD12 LEU A 64 -3.432 -19.562 -6.373 1.00 31.33 H new ATOM 0 HD13 LEU A 64 -3.666 -19.631 -8.136 1.00 31.33 H new ATOM 0 HD21 LEU A 64 -6.403 -21.053 -8.000 1.00 64.34 H new ATOM 0 HD22 LEU A 64 -5.102 -21.530 -9.116 1.00 64.34 H new ATOM 0 HD23 LEU A 64 -5.801 -22.727 -8.000 1.00 64.34 H new ATOM 1036 N LEU A 65 -2.375 -25.305 -6.196 1.00 20.10 N ATOM 1037 CA LEU A 65 -1.595 -26.481 -6.544 1.00 3.32 C ATOM 1038 C LEU A 65 -1.855 -26.781 -8.022 1.00 20.41 C ATOM 1039 O LEU A 65 -2.808 -27.482 -8.350 1.00 11.10 O ATOM 1040 CB LEU A 65 -2.027 -27.638 -5.627 1.00 0.01 C ATOM 1041 CG LEU A 65 -1.111 -28.868 -5.688 1.00 14.33 C ATOM 1042 CD1 LEU A 65 0.173 -28.633 -4.887 1.00 34.42 C ATOM 1043 CD2 LEU A 65 -1.843 -30.073 -5.082 1.00 34.21 C ATOM 0 H LEU A 65 -3.338 -25.528 -5.945 1.00 20.10 H new ATOM 0 HA LEU A 65 -0.525 -26.330 -6.403 1.00 3.32 H new ATOM 0 HB2 LEU A 65 -2.063 -27.277 -4.599 1.00 0.01 H new ATOM 0 HB3 LEU A 65 -3.040 -27.940 -5.895 1.00 0.01 H new ATOM 0 HG LEU A 65 -0.855 -29.053 -6.731 1.00 14.33 H new ATOM 0 HD11 LEU A 65 0.806 -29.519 -4.946 1.00 34.42 H new ATOM 0 HD12 LEU A 65 0.708 -27.777 -5.299 1.00 34.42 H new ATOM 0 HD13 LEU A 65 -0.079 -28.435 -3.845 1.00 34.42 H new ATOM 0 HD21 LEU A 65 -1.197 -30.950 -5.123 1.00 34.21 H new ATOM 0 HD22 LEU A 65 -2.099 -29.859 -4.044 1.00 34.21 H new ATOM 0 HD23 LEU A 65 -2.754 -30.267 -5.648 1.00 34.21 H new ATOM 1055 N TYR A 66 -1.030 -26.224 -8.916 1.00 42.35 N ATOM 1056 CA TYR A 66 -1.185 -26.377 -10.358 1.00 73.35 C ATOM 1057 C TYR A 66 -0.525 -27.685 -10.812 1.00 11.21 C ATOM 1058 O TYR A 66 0.597 -27.663 -11.318 1.00 1.23 O ATOM 1059 CB TYR A 66 -0.582 -25.156 -11.065 1.00 11.25 C ATOM 1060 CG TYR A 66 -1.338 -23.857 -10.856 1.00 14.24 C ATOM 1061 CD1 TYR A 66 -2.506 -23.597 -11.599 1.00 31.41 C ATOM 1062 CD2 TYR A 66 -0.823 -22.864 -10.002 1.00 0.20 C ATOM 1063 CE1 TYR A 66 -3.121 -22.336 -11.532 1.00 2.42 C ATOM 1064 CE2 TYR A 66 -1.430 -21.597 -9.948 1.00 11.40 C ATOM 1065 CZ TYR A 66 -2.571 -21.328 -10.723 1.00 2.01 C ATOM 1066 OH TYR A 66 -3.146 -20.091 -10.691 1.00 44.23 O ATOM 0 H TYR A 66 -0.230 -25.650 -8.651 1.00 42.35 H new ATOM 0 HA TYR A 66 -2.241 -26.431 -10.622 1.00 73.35 H new ATOM 0 HB2 TYR A 66 0.443 -25.023 -10.718 1.00 11.25 H new ATOM 0 HB3 TYR A 66 -0.532 -25.362 -12.134 1.00 11.25 H new ATOM 0 HD1 TYR A 66 -2.930 -24.370 -12.223 1.00 31.41 H new ATOM 0 HD2 TYR A 66 0.040 -23.075 -9.387 1.00 0.20 H new ATOM 0 HE1 TYR A 66 -4.017 -22.141 -12.103 1.00 2.42 H new ATOM 0 HE2 TYR A 66 -1.019 -20.829 -9.310 1.00 11.40 H new ATOM 0 HH TYR A 66 -2.643 -19.512 -10.081 1.00 44.23 H new ATOM 1076 N TYR A 67 -1.215 -28.820 -10.612 1.00 32.21 N ATOM 1077 CA TYR A 67 -0.658 -30.148 -10.843 1.00 3.03 C ATOM 1078 C TYR A 67 -1.095 -30.743 -12.184 1.00 54.11 C ATOM 1079 O TYR A 67 -2.289 -30.879 -12.445 1.00 13.31 O ATOM 1080 CB TYR A 67 -0.983 -31.100 -9.675 1.00 23.31 C ATOM 1081 CG TYR A 67 -2.441 -31.461 -9.460 1.00 21.54 C ATOM 1082 CD1 TYR A 67 -3.224 -30.725 -8.554 1.00 74.14 C ATOM 1083 CD2 TYR A 67 -2.972 -32.626 -10.047 1.00 20.43 C ATOM 1084 CE1 TYR A 67 -4.559 -31.089 -8.311 1.00 53.34 C ATOM 1085 CE2 TYR A 67 -4.296 -33.012 -9.779 1.00 64.31 C ATOM 1086 CZ TYR A 67 -5.100 -32.226 -8.935 1.00 42.53 C ATOM 1087 OH TYR A 67 -6.404 -32.565 -8.722 1.00 72.25 O ATOM 0 H TYR A 67 -2.181 -28.834 -10.283 1.00 32.21 H new ATOM 0 HA TYR A 67 0.424 -30.030 -10.892 1.00 3.03 H new ATOM 0 HB2 TYR A 67 -0.425 -32.024 -9.827 1.00 23.31 H new ATOM 0 HB3 TYR A 67 -0.608 -30.648 -8.757 1.00 23.31 H new ATOM 0 HD1 TYR A 67 -2.797 -29.875 -8.042 1.00 74.14 H new ATOM 0 HD2 TYR A 67 -2.360 -33.224 -10.705 1.00 20.43 H new ATOM 0 HE1 TYR A 67 -5.169 -30.496 -7.646 1.00 53.34 H new ATOM 0 HE2 TYR A 67 -4.696 -33.912 -10.221 1.00 64.31 H new ATOM 0 HH TYR A 67 -6.835 -32.764 -9.580 1.00 72.25 H new ATOM 1097 N THR A 68 -0.115 -31.136 -13.009 1.00 4.22 N ATOM 1098 CA THR A 68 -0.307 -32.027 -14.149 1.00 40.03 C ATOM 1099 C THR A 68 0.042 -33.472 -13.744 1.00 25.55 C ATOM 1100 O THR A 68 0.362 -33.735 -12.585 1.00 72.44 O ATOM 1101 CB THR A 68 0.507 -31.520 -15.355 1.00 34.45 C ATOM 1102 OG1 THR A 68 0.242 -32.315 -16.493 1.00 3.12 O ATOM 1103 CG2 THR A 68 2.019 -31.482 -15.113 1.00 34.15 C ATOM 0 H THR A 68 0.853 -30.834 -12.895 1.00 4.22 H new ATOM 0 HA THR A 68 -1.353 -32.029 -14.457 1.00 40.03 H new ATOM 0 HB THR A 68 0.185 -30.491 -15.516 1.00 34.45 H new ATOM 0 HG1 THR A 68 1.074 -32.465 -16.988 1.00 3.12 H new ATOM 0 HG21 THR A 68 2.522 -31.114 -16.008 1.00 34.15 H new ATOM 0 HG22 THR A 68 2.237 -30.819 -14.276 1.00 34.15 H new ATOM 0 HG23 THR A 68 2.376 -32.486 -14.883 1.00 34.15 H new ATOM 1111 N GLU A 69 -0.014 -34.395 -14.712 1.00 62.34 N ATOM 1112 CA GLU A 69 0.248 -35.822 -14.573 1.00 14.23 C ATOM 1113 C GLU A 69 1.271 -36.258 -15.631 1.00 21.21 C ATOM 1114 O GLU A 69 1.013 -37.155 -16.432 1.00 24.31 O ATOM 1115 CB GLU A 69 -1.078 -36.604 -14.638 1.00 34.11 C ATOM 1116 CG GLU A 69 -1.957 -36.354 -15.877 1.00 11.20 C ATOM 1117 CD GLU A 69 -2.610 -34.972 -15.881 1.00 71.42 C ATOM 1118 OE1 GLU A 69 -3.514 -34.767 -15.043 1.00 3.40 O ATOM 1119 OE2 GLU A 69 -2.181 -34.140 -16.710 1.00 64.52 O ATOM 0 H GLU A 69 -0.259 -34.144 -15.670 1.00 62.34 H new ATOM 0 HA GLU A 69 0.688 -36.043 -13.600 1.00 14.23 H new ATOM 0 HB2 GLU A 69 -0.850 -37.669 -14.589 1.00 34.11 H new ATOM 0 HB3 GLU A 69 -1.662 -36.362 -13.750 1.00 34.11 H new ATOM 0 HG2 GLU A 69 -1.349 -36.464 -16.775 1.00 11.20 H new ATOM 0 HG3 GLU A 69 -2.734 -37.117 -15.923 1.00 11.20 H new ATOM 1126 N PHE A 70 2.440 -35.604 -15.633 1.00 14.10 N ATOM 1127 CA PHE A 70 3.437 -35.722 -16.690 1.00 55.05 C ATOM 1128 C PHE A 70 4.051 -37.120 -16.808 1.00 4.43 C ATOM 1129 O PHE A 70 4.129 -37.856 -15.828 1.00 33.40 O ATOM 1130 CB PHE A 70 4.532 -34.665 -16.504 1.00 42.11 C ATOM 1131 CG PHE A 70 5.482 -34.866 -15.332 1.00 52.03 C ATOM 1132 CD1 PHE A 70 6.736 -35.474 -15.530 1.00 52.02 C ATOM 1133 CD2 PHE A 70 5.151 -34.372 -14.058 1.00 24.14 C ATOM 1134 CE1 PHE A 70 7.660 -35.557 -14.474 1.00 4.44 C ATOM 1135 CE2 PHE A 70 6.065 -34.486 -12.994 1.00 2.11 C ATOM 1136 CZ PHE A 70 7.319 -35.076 -13.202 1.00 22.40 C ATOM 0 H PHE A 70 2.718 -34.969 -14.885 1.00 14.10 H new ATOM 0 HA PHE A 70 2.911 -35.548 -17.629 1.00 55.05 H new ATOM 0 HB2 PHE A 70 5.124 -34.623 -17.419 1.00 42.11 H new ATOM 0 HB3 PHE A 70 4.052 -33.693 -16.390 1.00 42.11 H new ATOM 0 HD1 PHE A 70 6.990 -35.879 -16.499 1.00 52.02 H new ATOM 0 HD2 PHE A 70 4.192 -33.903 -13.895 1.00 24.14 H new ATOM 0 HE1 PHE A 70 8.634 -35.992 -14.643 1.00 4.44 H new ATOM 0 HE2 PHE A 70 5.799 -34.118 -12.014 1.00 2.11 H new ATOM 0 HZ PHE A 70 8.020 -35.160 -12.385 1.00 22.40 H new ATOM 1146 N THR A 71 4.485 -37.472 -18.025 1.00 71.32 N ATOM 1147 CA THR A 71 5.075 -38.763 -18.360 1.00 23.50 C ATOM 1148 C THR A 71 6.566 -38.568 -18.684 1.00 2.41 C ATOM 1149 O THR A 71 6.891 -38.300 -19.840 1.00 14.25 O ATOM 1150 CB THR A 71 4.308 -39.352 -19.560 1.00 61.54 C ATOM 1151 OG1 THR A 71 2.915 -39.287 -19.324 1.00 72.31 O ATOM 1152 CG2 THR A 71 4.685 -40.818 -19.802 1.00 20.35 C ATOM 0 H THR A 71 4.431 -36.842 -18.825 1.00 71.32 H new ATOM 0 HA THR A 71 5.001 -39.457 -17.523 1.00 23.50 H new ATOM 0 HB THR A 71 4.577 -38.764 -20.437 1.00 61.54 H new ATOM 0 HG1 THR A 71 2.435 -39.662 -20.092 1.00 72.31 H new ATOM 0 HG21 THR A 71 4.126 -41.201 -20.655 1.00 20.35 H new ATOM 0 HG22 THR A 71 5.753 -40.890 -20.006 1.00 20.35 H new ATOM 0 HG23 THR A 71 4.445 -41.406 -18.917 1.00 20.35 H new ATOM 1160 N PRO A 72 7.487 -38.678 -17.709 1.00 21.12 N ATOM 1161 CA PRO A 72 8.906 -38.466 -17.948 1.00 21.21 C ATOM 1162 C PRO A 72 9.506 -39.682 -18.657 1.00 65.25 C ATOM 1163 O PRO A 72 9.822 -40.685 -18.017 1.00 11.02 O ATOM 1164 CB PRO A 72 9.524 -38.235 -16.569 1.00 14.30 C ATOM 1165 CG PRO A 72 8.611 -39.021 -15.628 1.00 52.34 C ATOM 1166 CD PRO A 72 7.238 -38.948 -16.301 1.00 0.44 C ATOM 0 HA PRO A 72 9.100 -37.614 -18.599 1.00 21.21 H new ATOM 0 HB2 PRO A 72 10.551 -38.596 -16.525 1.00 14.30 H new ATOM 0 HB3 PRO A 72 9.547 -37.176 -16.313 1.00 14.30 H new ATOM 0 HG2 PRO A 72 8.946 -40.052 -15.515 1.00 52.34 H new ATOM 0 HG3 PRO A 72 8.591 -38.581 -14.631 1.00 52.34 H new ATOM 0 HD2 PRO A 72 6.693 -39.884 -16.175 1.00 0.44 H new ATOM 0 HD3 PRO A 72 6.628 -38.162 -15.856 1.00 0.44 H new ATOM 1174 N THR A 73 9.657 -39.588 -19.984 1.00 63.14 N ATOM 1175 CA THR A 73 10.193 -40.662 -20.806 1.00 44.04 C ATOM 1176 C THR A 73 11.707 -40.763 -20.604 1.00 52.41 C ATOM 1177 O THR A 73 12.193 -41.796 -20.147 1.00 21.41 O ATOM 1178 CB THR A 73 9.800 -40.457 -22.277 1.00 60.14 C ATOM 1179 OG1 THR A 73 8.402 -40.270 -22.371 1.00 1.32 O ATOM 1180 CG2 THR A 73 10.196 -41.670 -23.125 1.00 21.34 C ATOM 0 H THR A 73 9.406 -38.754 -20.515 1.00 63.14 H new ATOM 0 HA THR A 73 9.762 -41.614 -20.498 1.00 44.04 H new ATOM 0 HB THR A 73 10.326 -39.579 -22.651 1.00 60.14 H new ATOM 0 HG1 THR A 73 8.152 -40.138 -23.309 1.00 1.32 H new ATOM 0 HG21 THR A 73 9.907 -41.499 -24.162 1.00 21.34 H new ATOM 0 HG22 THR A 73 11.275 -41.817 -23.069 1.00 21.34 H new ATOM 0 HG23 THR A 73 9.689 -42.558 -22.748 1.00 21.34 H new ATOM 1188 N GLU A 74 12.442 -39.690 -20.930 1.00 5.05 N ATOM 1189 CA GLU A 74 13.879 -39.593 -20.712 1.00 3.30 C ATOM 1190 C GLU A 74 14.290 -38.122 -20.627 1.00 31.34 C ATOM 1191 O GLU A 74 14.403 -37.587 -19.525 1.00 12.54 O ATOM 1192 CB GLU A 74 14.641 -40.388 -21.790 1.00 32.42 C ATOM 1193 CG GLU A 74 16.169 -40.284 -21.672 1.00 3.11 C ATOM 1194 CD GLU A 74 16.679 -40.716 -20.300 1.00 33.41 C ATOM 1195 OE1 GLU A 74 16.961 -39.811 -19.484 1.00 24.51 O ATOM 1196 OE2 GLU A 74 16.777 -41.945 -20.091 1.00 31.31 O ATOM 0 H GLU A 74 12.041 -38.856 -21.359 1.00 5.05 H new ATOM 0 HA GLU A 74 14.147 -40.048 -19.759 1.00 3.30 H new ATOM 0 HB2 GLU A 74 14.352 -41.437 -21.727 1.00 32.42 H new ATOM 0 HB3 GLU A 74 14.337 -40.032 -22.774 1.00 32.42 H new ATOM 0 HG2 GLU A 74 16.633 -40.903 -22.440 1.00 3.11 H new ATOM 0 HG3 GLU A 74 16.476 -39.256 -21.863 1.00 3.11 H new ATOM 1203 N LYS A 75 14.526 -37.468 -21.774 1.00 4.03 N ATOM 1204 CA LYS A 75 15.075 -36.117 -21.837 1.00 14.13 C ATOM 1205 C LYS A 75 13.943 -35.081 -21.824 1.00 75.25 C ATOM 1206 O LYS A 75 13.923 -34.161 -22.640 1.00 12.25 O ATOM 1207 CB LYS A 75 15.974 -36.013 -23.081 1.00 32.54 C ATOM 1208 CG LYS A 75 16.950 -34.829 -23.019 1.00 72.54 C ATOM 1209 CD LYS A 75 17.825 -34.818 -24.279 1.00 0.20 C ATOM 1210 CE LYS A 75 18.834 -33.664 -24.277 1.00 22.43 C ATOM 1211 NZ LYS A 75 19.854 -33.827 -23.227 1.00 43.54 N ATOM 0 H LYS A 75 14.337 -37.872 -22.691 1.00 4.03 H new ATOM 0 HA LYS A 75 15.688 -35.905 -20.961 1.00 14.13 H new ATOM 0 HB2 LYS A 75 16.540 -36.938 -23.192 1.00 32.54 H new ATOM 0 HB3 LYS A 75 15.348 -35.914 -23.968 1.00 32.54 H new ATOM 0 HG2 LYS A 75 16.397 -33.893 -22.939 1.00 72.54 H new ATOM 0 HG3 LYS A 75 17.576 -34.906 -22.130 1.00 72.54 H new ATOM 0 HD2 LYS A 75 18.360 -35.765 -24.356 1.00 0.20 H new ATOM 0 HD3 LYS A 75 17.188 -34.739 -25.160 1.00 0.20 H new ATOM 0 HE2 LYS A 75 19.321 -33.606 -25.250 1.00 22.43 H new ATOM 0 HE3 LYS A 75 18.307 -32.722 -24.128 1.00 22.43 H new ATOM 0 HZ1 LYS A 75 20.565 -33.072 -23.313 1.00 43.54 H new ATOM 0 HZ2 LYS A 75 19.402 -33.772 -22.292 1.00 43.54 H new ATOM 0 HZ3 LYS A 75 20.317 -34.752 -23.333 1.00 43.54 H new ATOM 1225 N ASP A 76 12.993 -35.245 -20.895 1.00 25.40 N ATOM 1226 CA ASP A 76 11.790 -34.434 -20.810 1.00 11.01 C ATOM 1227 C ASP A 76 11.965 -33.358 -19.740 1.00 2.20 C ATOM 1228 O ASP A 76 12.117 -33.690 -18.565 1.00 34.25 O ATOM 1229 CB ASP A 76 10.591 -35.327 -20.487 1.00 2.44 C ATOM 1230 CG ASP A 76 10.267 -36.285 -21.628 1.00 71.13 C ATOM 1231 OD1 ASP A 76 9.324 -35.971 -22.386 1.00 2.54 O ATOM 1232 OD2 ASP A 76 10.972 -37.312 -21.724 1.00 11.13 O ATOM 0 H ASP A 76 13.048 -35.961 -20.171 1.00 25.40 H new ATOM 0 HA ASP A 76 11.612 -33.943 -21.767 1.00 11.01 H new ATOM 0 HB2 ASP A 76 10.798 -35.898 -19.582 1.00 2.44 H new ATOM 0 HB3 ASP A 76 9.721 -34.704 -20.279 1.00 2.44 H new ATOM 1237 N GLU A 77 11.938 -32.078 -20.144 1.00 43.11 N ATOM 1238 CA GLU A 77 12.088 -30.944 -19.237 1.00 53.24 C ATOM 1239 C GLU A 77 10.724 -30.309 -18.957 1.00 20.23 C ATOM 1240 O GLU A 77 9.997 -29.959 -19.884 1.00 64.43 O ATOM 1241 CB GLU A 77 13.140 -29.955 -19.773 1.00 40.14 C ATOM 1242 CG GLU A 77 12.693 -29.061 -20.943 1.00 53.24 C ATOM 1243 CD GLU A 77 11.894 -27.820 -20.529 1.00 5.40 C ATOM 1244 OE1 GLU A 77 11.300 -27.202 -21.439 1.00 43.14 O ATOM 1245 OE2 GLU A 77 11.894 -27.495 -19.322 1.00 51.31 O ATOM 0 H GLU A 77 11.810 -31.806 -21.119 1.00 43.11 H new ATOM 0 HA GLU A 77 12.468 -31.287 -18.275 1.00 53.24 H new ATOM 0 HB2 GLU A 77 13.457 -29.312 -18.952 1.00 40.14 H new ATOM 0 HB3 GLU A 77 14.015 -30.523 -20.090 1.00 40.14 H new ATOM 0 HG2 GLU A 77 13.576 -28.741 -21.496 1.00 53.24 H new ATOM 0 HG3 GLU A 77 12.087 -29.656 -21.627 1.00 53.24 H new ATOM 1252 N TYR A 78 10.376 -30.192 -17.670 1.00 61.32 N ATOM 1253 CA TYR A 78 9.107 -29.648 -17.204 1.00 15.15 C ATOM 1254 C TYR A 78 9.334 -28.280 -16.565 1.00 14.02 C ATOM 1255 O TYR A 78 10.238 -28.128 -15.743 1.00 2.11 O ATOM 1256 CB TYR A 78 8.479 -30.642 -16.224 1.00 54.34 C ATOM 1257 CG TYR A 78 8.148 -31.959 -16.899 1.00 63.43 C ATOM 1258 CD1 TYR A 78 9.082 -33.011 -16.895 1.00 25.50 C ATOM 1259 CD2 TYR A 78 7.028 -32.030 -17.746 1.00 13.01 C ATOM 1260 CE1 TYR A 78 8.864 -34.152 -17.684 1.00 2.12 C ATOM 1261 CE2 TYR A 78 6.836 -33.148 -18.573 1.00 11.13 C ATOM 1262 CZ TYR A 78 7.732 -34.228 -18.514 1.00 40.01 C ATOM 1263 OH TYR A 78 7.496 -35.356 -19.245 1.00 4.43 O ATOM 0 H TYR A 78 10.989 -30.482 -16.909 1.00 61.32 H new ATOM 0 HA TYR A 78 8.420 -29.505 -18.038 1.00 15.15 H new ATOM 0 HB2 TYR A 78 9.165 -30.819 -15.396 1.00 54.34 H new ATOM 0 HB3 TYR A 78 7.572 -30.212 -15.800 1.00 54.34 H new ATOM 0 HD1 TYR A 78 9.969 -32.941 -16.283 1.00 25.50 H new ATOM 0 HD2 TYR A 78 6.312 -31.221 -17.760 1.00 13.01 H new ATOM 0 HE1 TYR A 78 9.567 -34.972 -17.653 1.00 2.12 H new ATOM 0 HE2 TYR A 78 5.999 -33.178 -19.255 1.00 11.13 H new ATOM 0 HH TYR A 78 6.672 -35.243 -19.763 1.00 4.43 H new ATOM 1273 N ALA A 79 8.527 -27.288 -16.965 1.00 72.41 N ATOM 1274 CA ALA A 79 8.732 -25.894 -16.601 1.00 52.51 C ATOM 1275 C ALA A 79 7.400 -25.187 -16.356 1.00 62.12 C ATOM 1276 O ALA A 79 6.655 -24.938 -17.302 1.00 12.04 O ATOM 1277 CB ALA A 79 9.509 -25.199 -17.725 1.00 14.53 C ATOM 0 H ALA A 79 7.709 -27.440 -17.555 1.00 72.41 H new ATOM 0 HA ALA A 79 9.302 -25.847 -15.673 1.00 52.51 H new ATOM 0 HB1 ALA A 79 9.669 -24.153 -17.464 1.00 14.53 H new ATOM 0 HB2 ALA A 79 10.472 -25.691 -17.859 1.00 14.53 H new ATOM 0 HB3 ALA A 79 8.939 -25.258 -18.652 1.00 14.53 H new ATOM 1283 N CYS A 80 7.130 -24.817 -15.096 1.00 62.32 N ATOM 1284 CA CYS A 80 6.010 -23.955 -14.747 1.00 4.14 C ATOM 1285 C CYS A 80 6.349 -22.506 -15.101 1.00 4.30 C ATOM 1286 O CYS A 80 7.392 -21.986 -14.707 1.00 23.13 O ATOM 1287 CB CYS A 80 5.585 -24.163 -13.287 1.00 43.12 C ATOM 1288 SG CYS A 80 4.454 -25.576 -13.115 1.00 0.31 S ATOM 0 H CYS A 80 7.688 -25.112 -14.294 1.00 62.32 H new ATOM 0 HA CYS A 80 5.134 -24.225 -15.336 1.00 4.14 H new ATOM 0 HB2 CYS A 80 6.469 -24.326 -12.670 1.00 43.12 H new ATOM 0 HB3 CYS A 80 5.099 -23.260 -12.916 1.00 43.12 H new ATOM 1293 N ARG A 81 5.473 -21.892 -15.905 1.00 4.20 N ATOM 1294 CA ARG A 81 5.682 -20.615 -16.562 1.00 23.54 C ATOM 1295 C ARG A 81 4.956 -19.557 -15.736 1.00 35.13 C ATOM 1296 O ARG A 81 3.790 -19.256 -15.990 1.00 2.32 O ATOM 1297 CB ARG A 81 5.130 -20.730 -17.991 1.00 43.51 C ATOM 1298 CG ARG A 81 5.761 -19.701 -18.928 1.00 0.20 C ATOM 1299 CD ARG A 81 4.992 -19.622 -20.248 1.00 45.32 C ATOM 1300 NE ARG A 81 3.706 -18.941 -20.071 1.00 62.34 N ATOM 1301 CZ ARG A 81 2.799 -18.753 -21.044 1.00 52.03 C ATOM 1302 NH1 ARG A 81 3.013 -19.221 -22.283 1.00 32.13 N ATOM 1303 NH2 ARG A 81 1.667 -18.090 -20.772 1.00 13.01 N ATOM 0 H ARG A 81 4.562 -22.297 -16.119 1.00 4.20 H new ATOM 0 HA ARG A 81 6.733 -20.334 -16.630 1.00 23.54 H new ATOM 0 HB2 ARG A 81 5.318 -21.733 -18.374 1.00 43.51 H new ATOM 0 HB3 ARG A 81 4.049 -20.592 -17.975 1.00 43.51 H new ATOM 0 HG2 ARG A 81 5.769 -18.722 -18.448 1.00 0.20 H new ATOM 0 HG3 ARG A 81 6.799 -19.969 -19.123 1.00 0.20 H new ATOM 0 HD2 ARG A 81 5.589 -19.090 -20.989 1.00 45.32 H new ATOM 0 HD3 ARG A 81 4.824 -20.627 -20.635 1.00 45.32 H new ATOM 0 HE ARG A 81 3.484 -18.584 -19.142 1.00 62.34 H new ATOM 0 HH11 ARG A 81 3.873 -19.727 -22.496 1.00 32.13 H new ATOM 0 HH12 ARG A 81 2.316 -19.071 -23.012 1.00 32.13 H new ATOM 0 HH21 ARG A 81 1.499 -17.732 -19.832 1.00 13.01 H new ATOM 0 HH22 ARG A 81 0.973 -17.943 -21.505 1.00 13.01 H new ATOM 1317 N VAL A 82 5.624 -19.046 -14.696 1.00 31.30 N ATOM 1318 CA VAL A 82 4.962 -18.296 -13.644 1.00 1.20 C ATOM 1319 C VAL A 82 4.887 -16.833 -14.072 1.00 3.31 C ATOM 1320 O VAL A 82 5.803 -16.055 -13.807 1.00 3.05 O ATOM 1321 CB VAL A 82 5.678 -18.516 -12.299 1.00 3.20 C ATOM 1322 CG1 VAL A 82 4.906 -17.822 -11.172 1.00 22.25 C ATOM 1323 CG2 VAL A 82 5.775 -20.012 -11.967 1.00 5.22 C ATOM 0 H VAL A 82 6.631 -19.144 -14.568 1.00 31.30 H new ATOM 0 HA VAL A 82 3.941 -18.646 -13.490 1.00 1.20 H new ATOM 0 HB VAL A 82 6.681 -18.097 -12.385 1.00 3.20 H new ATOM 0 HG11 VAL A 82 5.421 -17.984 -10.225 1.00 22.25 H new ATOM 0 HG12 VAL A 82 4.848 -16.753 -11.375 1.00 22.25 H new ATOM 0 HG13 VAL A 82 3.899 -18.235 -11.113 1.00 22.25 H new ATOM 0 HG21 VAL A 82 6.285 -20.140 -11.012 1.00 5.22 H new ATOM 0 HG22 VAL A 82 4.773 -20.436 -11.903 1.00 5.22 H new ATOM 0 HG23 VAL A 82 6.336 -20.523 -12.750 1.00 5.22 H new ATOM 1333 N ASN A 83 3.795 -16.480 -14.761 1.00 42.44 N ATOM 1334 CA ASN A 83 3.572 -15.153 -15.306 1.00 11.50 C ATOM 1335 C ASN A 83 2.612 -14.428 -14.371 1.00 14.44 C ATOM 1336 O ASN A 83 1.433 -14.770 -14.320 1.00 71.55 O ATOM 1337 CB ASN A 83 2.965 -15.248 -16.711 1.00 2.54 C ATOM 1338 CG ASN A 83 3.826 -15.996 -17.726 1.00 3.01 C ATOM 1339 OD1 ASN A 83 4.836 -16.608 -17.385 1.00 54.31 O ATOM 1340 ND2 ASN A 83 3.414 -15.948 -18.995 1.00 62.21 N ATOM 0 H ASN A 83 3.032 -17.128 -14.954 1.00 42.44 H new ATOM 0 HA ASN A 83 4.515 -14.612 -15.385 1.00 11.50 H new ATOM 0 HB2 ASN A 83 1.996 -15.743 -16.641 1.00 2.54 H new ATOM 0 HB3 ASN A 83 2.782 -14.240 -17.082 1.00 2.54 H new ATOM 0 HD21 ASN A 83 3.943 -16.430 -19.722 1.00 62.21 H new ATOM 0 HD22 ASN A 83 2.570 -15.429 -19.238 1.00 62.21 H new ATOM 1347 N HIS A 84 3.120 -13.439 -13.630 1.00 0.00 N ATOM 1348 CA HIS A 84 2.336 -12.626 -12.713 1.00 0.00 C ATOM 1349 C HIS A 84 2.431 -11.161 -13.136 1.00 0.00 C ATOM 1350 O HIS A 84 3.415 -10.761 -13.755 1.00 0.00 O ATOM 1351 CB HIS A 84 2.848 -12.855 -11.288 1.00 0.00 C ATOM 1352 CG HIS A 84 2.016 -12.198 -10.219 1.00 0.00 C ATOM 1353 ND1 HIS A 84 2.602 -11.510 -9.159 1.00 0.00 N ATOM 1354 CD2 HIS A 84 0.656 -12.180 -10.055 1.00 0.00 C ATOM 1355 CE1 HIS A 84 1.580 -11.098 -8.407 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.391 -11.455 -8.916 1.00 0.00 N ATOM 0 H HIS A 84 4.107 -13.181 -13.656 1.00 0.00 H new ATOM 0 HA HIS A 84 1.283 -12.908 -12.739 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.885 -13.927 -11.096 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.870 -12.483 -11.217 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.073 -12.648 -10.700 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.697 -10.539 -7.490 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.528 -11.233 -8.534 1.00 0.00 H new ATOM 1364 N VAL A 85 1.400 -10.370 -12.813 1.00 51.13 N ATOM 1365 CA VAL A 85 1.302 -8.964 -13.192 1.00 14.54 C ATOM 1366 C VAL A 85 2.507 -8.149 -12.704 1.00 41.42 C ATOM 1367 O VAL A 85 2.948 -7.237 -13.402 1.00 3.21 O ATOM 1368 CB VAL A 85 -0.044 -8.382 -12.721 1.00 13.53 C ATOM 1369 CG1 VAL A 85 -0.187 -8.348 -11.194 1.00 11.35 C ATOM 1370 CG2 VAL A 85 -0.259 -6.970 -13.280 1.00 62.34 C ATOM 0 H VAL A 85 0.600 -10.699 -12.272 1.00 51.13 H new ATOM 0 HA VAL A 85 1.328 -8.897 -14.280 1.00 14.54 H new ATOM 0 HB VAL A 85 -0.808 -9.056 -13.109 1.00 13.53 H new ATOM 0 HG11 VAL A 85 -1.157 -7.927 -10.929 1.00 11.35 H new ATOM 0 HG12 VAL A 85 -0.111 -9.361 -10.799 1.00 11.35 H new ATOM 0 HG13 VAL A 85 0.605 -7.732 -10.768 1.00 11.35 H new ATOM 0 HG21 VAL A 85 -1.217 -6.583 -12.932 1.00 62.34 H new ATOM 0 HG22 VAL A 85 0.543 -6.317 -12.936 1.00 62.34 H new ATOM 0 HG23 VAL A 85 -0.256 -7.006 -14.369 1.00 62.34 H new ATOM 1380 N THR A 86 3.053 -8.489 -11.528 1.00 14.53 N ATOM 1381 CA THR A 86 4.231 -7.836 -10.969 1.00 42.44 C ATOM 1382 C THR A 86 5.463 -8.050 -11.854 1.00 62.51 C ATOM 1383 O THR A 86 6.283 -7.144 -11.992 1.00 75.23 O ATOM 1384 CB THR A 86 4.499 -8.342 -9.545 1.00 54.33 C ATOM 1385 OG1 THR A 86 4.780 -9.725 -9.542 1.00 52.24 O ATOM 1386 CG2 THR A 86 3.316 -8.043 -8.619 1.00 0.21 C ATOM 0 H THR A 86 2.681 -9.233 -10.937 1.00 14.53 H new ATOM 0 HA THR A 86 4.031 -6.765 -10.930 1.00 42.44 H new ATOM 0 HB THR A 86 5.373 -7.810 -9.170 1.00 54.33 H new ATOM 0 HG1 THR A 86 3.941 -10.229 -9.594 1.00 52.24 H new ATOM 0 HG21 THR A 86 3.535 -8.413 -7.617 1.00 0.21 H new ATOM 0 HG22 THR A 86 3.148 -6.967 -8.579 1.00 0.21 H new ATOM 0 HG23 THR A 86 2.422 -8.536 -9.000 1.00 0.21 H new ATOM 1394 N LEU A 87 5.594 -9.248 -12.440 1.00 2.02 N ATOM 1395 CA LEU A 87 6.730 -9.627 -13.263 1.00 62.44 C ATOM 1396 C LEU A 87 6.512 -9.138 -14.694 1.00 21.31 C ATOM 1397 O LEU A 87 5.422 -9.284 -15.245 1.00 23.24 O ATOM 1398 CB LEU A 87 6.910 -11.151 -13.246 1.00 14.40 C ATOM 1399 CG LEU A 87 6.965 -11.760 -11.833 1.00 22.41 C ATOM 1400 CD1 LEU A 87 7.047 -13.285 -11.948 1.00 0.01 C ATOM 1401 CD2 LEU A 87 8.164 -11.236 -11.037 1.00 21.32 C ATOM 0 H LEU A 87 4.897 -9.987 -12.348 1.00 2.02 H new ATOM 0 HA LEU A 87 7.632 -9.166 -12.861 1.00 62.44 H new ATOM 0 HB2 LEU A 87 6.088 -11.610 -13.796 1.00 14.40 H new ATOM 0 HB3 LEU A 87 7.829 -11.404 -13.775 1.00 14.40 H new ATOM 0 HG LEU A 87 6.061 -11.469 -11.299 1.00 22.41 H new ATOM 0 HD11 LEU A 87 7.086 -13.723 -10.951 1.00 0.01 H new ATOM 0 HD12 LEU A 87 6.168 -13.658 -12.474 1.00 0.01 H new ATOM 0 HD13 LEU A 87 7.945 -13.560 -12.501 1.00 0.01 H new ATOM 0 HD21 LEU A 87 8.168 -11.689 -10.045 1.00 21.32 H new ATOM 0 HD22 LEU A 87 9.087 -11.493 -11.557 1.00 21.32 H new ATOM 0 HD23 LEU A 87 8.092 -10.153 -10.941 1.00 21.32 H new ATOM 1413 N SER A 88 7.562 -8.576 -15.301 1.00 13.20 N ATOM 1414 CA SER A 88 7.559 -8.176 -16.699 1.00 15.10 C ATOM 1415 C SER A 88 7.670 -9.413 -17.593 1.00 20.42 C ATOM 1416 O SER A 88 6.846 -9.608 -18.485 1.00 73.12 O ATOM 1417 CB SER A 88 8.700 -7.184 -16.962 1.00 42.35 C ATOM 1418 OG SER A 88 9.947 -7.702 -16.540 1.00 34.24 O ATOM 0 H SER A 88 8.444 -8.387 -14.825 1.00 13.20 H new ATOM 0 HA SER A 88 6.620 -7.675 -16.935 1.00 15.10 H new ATOM 0 HB2 SER A 88 8.743 -6.952 -18.026 1.00 42.35 H new ATOM 0 HB3 SER A 88 8.498 -6.249 -16.439 1.00 42.35 H new ATOM 0 HG SER A 88 10.652 -7.047 -16.723 1.00 34.24 H new ATOM 1424 N GLN A 89 8.695 -10.237 -17.347 1.00 33.34 N ATOM 1425 CA GLN A 89 9.027 -11.404 -18.150 1.00 21.30 C ATOM 1426 C GLN A 89 8.383 -12.661 -17.553 1.00 13.14 C ATOM 1427 O GLN A 89 8.191 -12.728 -16.339 1.00 42.23 O ATOM 1428 CB GLN A 89 10.555 -11.557 -18.207 1.00 13.20 C ATOM 1429 CG GLN A 89 11.213 -10.393 -18.962 1.00 34.11 C ATOM 1430 CD GLN A 89 12.725 -10.571 -19.095 1.00 5.14 C ATOM 1431 OE1 GLN A 89 13.329 -11.390 -18.405 1.00 34.41 O ATOM 1432 NE2 GLN A 89 13.345 -9.798 -19.991 1.00 21.20 N ATOM 0 H GLN A 89 9.330 -10.101 -16.560 1.00 33.34 H new ATOM 0 HA GLN A 89 8.640 -11.273 -19.161 1.00 21.30 H new ATOM 0 HB2 GLN A 89 10.954 -11.606 -17.194 1.00 13.20 H new ATOM 0 HB3 GLN A 89 10.809 -12.498 -18.695 1.00 13.20 H new ATOM 0 HG2 GLN A 89 10.770 -10.310 -19.955 1.00 34.11 H new ATOM 0 HG3 GLN A 89 11.004 -9.459 -18.440 1.00 34.11 H new ATOM 0 HE21 GLN A 89 12.810 -9.130 -20.545 1.00 21.20 H new ATOM 0 HE22 GLN A 89 14.354 -9.876 -20.121 1.00 21.20 H new ATOM 1441 N PRO A 90 8.071 -13.673 -18.383 1.00 21.32 N ATOM 1442 CA PRO A 90 7.570 -14.958 -17.922 1.00 2.55 C ATOM 1443 C PRO A 90 8.690 -15.690 -17.181 1.00 1.00 C ATOM 1444 O PRO A 90 9.787 -15.837 -17.720 1.00 62.43 O ATOM 1445 CB PRO A 90 7.145 -15.701 -19.193 1.00 31.41 C ATOM 1446 CG PRO A 90 8.066 -15.130 -20.268 1.00 65.33 C ATOM 1447 CD PRO A 90 8.224 -13.674 -19.830 1.00 41.14 C ATOM 0 HA PRO A 90 6.733 -14.874 -17.229 1.00 2.55 H new ATOM 0 HB2 PRO A 90 7.271 -16.779 -19.088 1.00 31.41 H new ATOM 0 HB3 PRO A 90 6.096 -15.524 -19.429 1.00 31.41 H new ATOM 0 HG2 PRO A 90 9.023 -15.650 -20.300 1.00 65.33 H new ATOM 0 HG3 PRO A 90 7.627 -15.209 -21.262 1.00 65.33 H new ATOM 0 HD2 PRO A 90 9.199 -13.283 -20.120 1.00 41.14 H new ATOM 0 HD3 PRO A 90 7.473 -13.041 -20.302 1.00 41.14 H new ATOM 1455 N LYS A 91 8.432 -16.119 -15.938 1.00 43.42 N ATOM 1456 CA LYS A 91 9.454 -16.724 -15.098 1.00 0.30 C ATOM 1457 C LYS A 91 9.440 -18.226 -15.363 1.00 35.10 C ATOM 1458 O LYS A 91 8.628 -18.957 -14.797 1.00 24.30 O ATOM 1459 CB LYS A 91 9.214 -16.344 -13.630 1.00 1.10 C ATOM 1460 CG LYS A 91 10.429 -16.553 -12.712 1.00 1.00 C ATOM 1461 CD LYS A 91 10.790 -18.029 -12.506 1.00 20.21 C ATOM 1462 CE LYS A 91 11.904 -18.223 -11.471 1.00 21.24 C ATOM 1463 NZ LYS A 91 11.473 -17.850 -10.113 1.00 24.53 N ATOM 0 H LYS A 91 7.515 -16.054 -15.497 1.00 43.42 H new ATOM 0 HA LYS A 91 10.452 -16.355 -15.334 1.00 0.30 H new ATOM 0 HB2 LYS A 91 8.915 -15.297 -13.583 1.00 1.10 H new ATOM 0 HB3 LYS A 91 8.380 -16.932 -13.247 1.00 1.10 H new ATOM 0 HG2 LYS A 91 11.288 -16.032 -13.135 1.00 1.00 H new ATOM 0 HG3 LYS A 91 10.225 -16.098 -11.743 1.00 1.00 H new ATOM 0 HD2 LYS A 91 9.903 -18.575 -12.186 1.00 20.21 H new ATOM 0 HD3 LYS A 91 11.104 -18.459 -13.457 1.00 20.21 H new ATOM 0 HE2 LYS A 91 12.224 -19.265 -11.475 1.00 21.24 H new ATOM 0 HE3 LYS A 91 12.769 -17.623 -11.754 1.00 21.24 H new ATOM 0 HZ1 LYS A 91 12.046 -18.364 -9.414 1.00 24.53 H new ATOM 0 HZ2 LYS A 91 11.598 -16.826 -9.978 1.00 24.53 H new ATOM 0 HZ3 LYS A 91 10.470 -18.096 -9.987 1.00 24.53 H new ATOM 1477 N ILE A 92 10.348 -18.668 -16.241 1.00 71.11 N ATOM 1478 CA ILE A 92 10.488 -20.059 -16.632 1.00 73.11 C ATOM 1479 C ILE A 92 11.183 -20.811 -15.493 1.00 33.45 C ATOM 1480 O ILE A 92 12.411 -20.826 -15.416 1.00 61.24 O ATOM 1481 CB ILE A 92 11.272 -20.172 -17.958 1.00 3.20 C ATOM 1482 CG1 ILE A 92 10.826 -19.175 -19.045 1.00 12.11 C ATOM 1483 CG2 ILE A 92 11.202 -21.613 -18.484 1.00 52.21 C ATOM 1484 CD1 ILE A 92 9.329 -19.208 -19.361 1.00 12.43 C ATOM 0 H ILE A 92 11.015 -18.050 -16.703 1.00 71.11 H new ATOM 0 HA ILE A 92 9.509 -20.505 -16.807 1.00 73.11 H new ATOM 0 HB ILE A 92 12.303 -19.905 -17.726 1.00 3.20 H new ATOM 0 HG12 ILE A 92 11.095 -18.167 -18.728 1.00 12.11 H new ATOM 0 HG13 ILE A 92 11.382 -19.381 -19.960 1.00 12.11 H new ATOM 0 HG21 ILE A 92 11.757 -21.686 -19.419 1.00 52.21 H new ATOM 0 HG22 ILE A 92 11.638 -22.290 -17.749 1.00 52.21 H new ATOM 0 HG23 ILE A 92 10.161 -21.887 -18.657 1.00 52.21 H new ATOM 0 HD11 ILE A 92 9.104 -18.475 -20.136 1.00 12.43 H new ATOM 0 HD12 ILE A 92 9.053 -20.203 -19.711 1.00 12.43 H new ATOM 0 HD13 ILE A 92 8.762 -18.970 -18.461 1.00 12.43 H new ATOM 1496 N VAL A 93 10.400 -21.442 -14.610 1.00 25.31 N ATOM 1497 CA VAL A 93 10.936 -22.333 -13.588 1.00 2.01 C ATOM 1498 C VAL A 93 11.409 -23.611 -14.280 1.00 11.22 C ATOM 1499 O VAL A 93 10.892 -23.954 -15.340 1.00 52.24 O ATOM 1500 CB VAL A 93 9.864 -22.650 -12.528 1.00 15.23 C ATOM 1501 CG1 VAL A 93 10.438 -23.537 -11.414 1.00 72.11 C ATOM 1502 CG2 VAL A 93 9.318 -21.370 -11.889 1.00 21.15 C ATOM 0 H VAL A 93 9.385 -21.347 -14.588 1.00 25.31 H new ATOM 0 HA VAL A 93 11.770 -21.856 -13.073 1.00 2.01 H new ATOM 0 HB VAL A 93 9.058 -23.174 -13.042 1.00 15.23 H new ATOM 0 HG11 VAL A 93 9.661 -23.746 -10.679 1.00 72.11 H new ATOM 0 HG12 VAL A 93 10.794 -24.474 -11.842 1.00 72.11 H new ATOM 0 HG13 VAL A 93 11.267 -23.021 -10.929 1.00 72.11 H new ATOM 0 HG21 VAL A 93 8.564 -21.628 -11.146 1.00 21.15 H new ATOM 0 HG22 VAL A 93 10.132 -20.828 -11.407 1.00 21.15 H new ATOM 0 HG23 VAL A 93 8.869 -20.742 -12.659 1.00 21.15 H new ATOM 1512 N LYS A 94 12.376 -24.316 -13.683 1.00 54.05 N ATOM 1513 CA LYS A 94 12.730 -25.671 -14.079 1.00 13.34 C ATOM 1514 C LYS A 94 12.553 -26.576 -12.863 1.00 75.31 C ATOM 1515 O LYS A 94 13.234 -26.388 -11.856 1.00 12.32 O ATOM 1516 CB LYS A 94 14.159 -25.730 -14.635 1.00 2.32 C ATOM 1517 CG LYS A 94 14.349 -24.754 -15.808 1.00 65.22 C ATOM 1518 CD LYS A 94 15.226 -25.334 -16.925 1.00 1.20 C ATOM 1519 CE LYS A 94 14.425 -26.320 -17.786 1.00 22.14 C ATOM 1520 NZ LYS A 94 15.197 -26.786 -18.949 1.00 0.00 N ATOM 0 H LYS A 94 12.934 -23.955 -12.909 1.00 54.05 H new ATOM 0 HA LYS A 94 12.079 -26.012 -14.884 1.00 13.34 H new ATOM 0 HB2 LYS A 94 14.869 -25.491 -13.843 1.00 2.32 H new ATOM 0 HB3 LYS A 94 14.380 -26.745 -14.965 1.00 2.32 H new ATOM 0 HG2 LYS A 94 13.374 -24.490 -16.217 1.00 65.22 H new ATOM 0 HG3 LYS A 94 14.800 -23.833 -15.439 1.00 65.22 H new ATOM 0 HD2 LYS A 94 15.610 -24.527 -17.549 1.00 1.20 H new ATOM 0 HD3 LYS A 94 16.089 -25.840 -16.491 1.00 1.20 H new ATOM 0 HE2 LYS A 94 14.131 -27.176 -17.179 1.00 22.14 H new ATOM 0 HE3 LYS A 94 13.507 -25.841 -18.128 1.00 22.14 H new ATOM 0 HZ1 LYS A 94 14.621 -27.450 -19.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 15.456 -25.972 -19.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 16.060 -27.266 -18.623 1.00 0.00 H new ATOM 1534 N TRP A 95 11.625 -27.537 -12.965 1.00 0.40 N ATOM 1535 CA TRP A 95 11.360 -28.557 -11.960 1.00 75.51 C ATOM 1536 C TRP A 95 12.661 -29.202 -11.486 1.00 55.41 C ATOM 1537 O TRP A 95 13.361 -29.840 -12.272 1.00 62.54 O ATOM 1538 CB TRP A 95 10.433 -29.624 -12.555 1.00 32.42 C ATOM 1539 CG TRP A 95 10.323 -30.912 -11.790 1.00 62.33 C ATOM 1540 CD1 TRP A 95 10.051 -31.052 -10.471 1.00 12.04 C ATOM 1541 CD2 TRP A 95 10.550 -32.263 -12.286 1.00 13.03 C ATOM 1542 NE1 TRP A 95 10.096 -32.385 -10.118 1.00 3.22 N ATOM 1543 CE2 TRP A 95 10.404 -33.179 -11.205 1.00 1.40 C ATOM 1544 CE3 TRP A 95 10.882 -32.802 -13.547 1.00 40.22 C ATOM 1545 CZ2 TRP A 95 10.574 -34.562 -11.369 1.00 42.22 C ATOM 1546 CZ3 TRP A 95 11.045 -34.187 -13.726 1.00 23.11 C ATOM 1547 CH2 TRP A 95 10.894 -35.067 -12.641 1.00 33.14 C ATOM 0 H TRP A 95 11.020 -27.622 -13.782 1.00 0.40 H new ATOM 0 HA TRP A 95 10.880 -28.090 -11.101 1.00 75.51 H new ATOM 0 HB2 TRP A 95 9.435 -29.196 -12.649 1.00 32.42 H new ATOM 0 HB3 TRP A 95 10.778 -29.853 -13.563 1.00 32.42 H new ATOM 0 HD1 TRP A 95 9.831 -30.239 -9.794 1.00 12.04 H new ATOM 0 HE1 TRP A 95 9.924 -32.738 -9.177 1.00 3.22 H new ATOM 0 HE3 TRP A 95 11.013 -32.139 -14.389 1.00 40.22 H new ATOM 0 HZ2 TRP A 95 10.460 -35.230 -10.528 1.00 42.22 H new ATOM 0 HZ3 TRP A 95 11.288 -34.577 -14.703 1.00 23.11 H new ATOM 0 HH2 TRP A 95 11.024 -36.130 -12.784 1.00 33.14 H new ATOM 1558 N ASP A 96 12.958 -29.041 -10.193 1.00 11.35 N ATOM 1559 CA ASP A 96 14.082 -29.695 -9.550 1.00 14.25 C ATOM 1560 C ASP A 96 13.712 -31.157 -9.298 1.00 71.33 C ATOM 1561 O ASP A 96 12.684 -31.443 -8.688 1.00 42.03 O ATOM 1562 CB ASP A 96 14.431 -28.967 -8.246 1.00 12.33 C ATOM 1563 CG ASP A 96 15.646 -29.571 -7.538 1.00 20.34 C ATOM 1564 OD1 ASP A 96 15.691 -29.449 -6.295 1.00 14.32 O ATOM 1565 OD2 ASP A 96 16.516 -30.127 -8.244 1.00 51.42 O ATOM 0 H ASP A 96 12.416 -28.447 -9.566 1.00 11.35 H new ATOM 0 HA ASP A 96 14.964 -29.661 -10.189 1.00 14.25 H new ATOM 0 HB2 ASP A 96 14.627 -27.917 -8.462 1.00 12.33 H new ATOM 0 HB3 ASP A 96 13.572 -28.999 -7.576 1.00 12.33 H new ATOM 1570 N ARG A 97 14.557 -32.073 -9.783 1.00 13.22 N ATOM 1571 CA ARG A 97 14.328 -33.513 -9.742 1.00 75.54 C ATOM 1572 C ARG A 97 14.678 -34.146 -8.384 1.00 24.23 C ATOM 1573 O ARG A 97 14.996 -35.333 -8.332 1.00 11.54 O ATOM 1574 CB ARG A 97 15.089 -34.172 -10.906 1.00 13.04 C ATOM 1575 CG ARG A 97 16.610 -33.964 -10.824 1.00 33.32 C ATOM 1576 CD ARG A 97 17.317 -34.750 -11.929 1.00 63.11 C ATOM 1577 NE ARG A 97 18.768 -34.535 -11.876 1.00 22.23 N ATOM 1578 CZ ARG A 97 19.673 -35.226 -12.590 1.00 11.01 C ATOM 1579 NH1 ARG A 97 19.290 -36.191 -13.439 1.00 0.31 N ATOM 1580 NH2 ARG A 97 20.976 -34.946 -12.450 1.00 65.42 N ATOM 0 H ARG A 97 15.441 -31.822 -10.226 1.00 13.22 H new ATOM 0 HA ARG A 97 13.260 -33.692 -9.861 1.00 75.54 H new ATOM 0 HB2 ARG A 97 14.874 -35.241 -10.915 1.00 13.04 H new ATOM 0 HB3 ARG A 97 14.723 -33.766 -11.849 1.00 13.04 H new ATOM 0 HG2 ARG A 97 16.844 -32.903 -10.917 1.00 33.32 H new ATOM 0 HG3 ARG A 97 16.975 -34.287 -9.849 1.00 33.32 H new ATOM 0 HD2 ARG A 97 17.098 -35.813 -11.822 1.00 63.11 H new ATOM 0 HD3 ARG A 97 16.935 -34.442 -12.902 1.00 63.11 H new ATOM 0 HE ARG A 97 19.115 -33.807 -11.251 1.00 22.23 H new ATOM 0 HH11 ARG A 97 18.300 -36.409 -13.550 1.00 0.31 H new ATOM 0 HH12 ARG A 97 19.989 -36.707 -13.974 1.00 0.31 H new ATOM 0 HH21 ARG A 97 21.274 -34.214 -11.806 1.00 65.42 H new ATOM 0 HH22 ARG A 97 21.670 -35.465 -12.988 1.00 65.42 H new ATOM 1594 N ASP A 98 14.598 -33.375 -7.289 1.00 63.23 N ATOM 1595 CA ASP A 98 14.805 -33.848 -5.927 1.00 61.33 C ATOM 1596 C ASP A 98 13.432 -34.117 -5.309 1.00 34.12 C ATOM 1597 O ASP A 98 12.978 -33.369 -4.444 1.00 61.11 O ATOM 1598 CB ASP A 98 15.615 -32.800 -5.147 1.00 40.32 C ATOM 1599 CG ASP A 98 15.982 -33.280 -3.742 1.00 5.43 C ATOM 1600 OD1 ASP A 98 16.701 -34.300 -3.657 1.00 11.31 O ATOM 1601 OD2 ASP A 98 15.547 -32.616 -2.776 1.00 2.04 O ATOM 0 H ASP A 98 14.381 -32.379 -7.336 1.00 63.23 H new ATOM 0 HA ASP A 98 15.377 -34.775 -5.901 1.00 61.33 H new ATOM 0 HB2 ASP A 98 16.526 -32.564 -5.698 1.00 40.32 H new ATOM 0 HB3 ASP A 98 15.038 -31.878 -5.075 1.00 40.32 H new ATOM 1606 N MET A 99 12.768 -35.173 -5.799 1.00 23.43 N ATOM 1607 CA MET A 99 11.389 -35.520 -5.469 1.00 40.03 C ATOM 1608 C MET A 99 10.481 -34.330 -5.805 1.00 13.21 C ATOM 1609 O MET A 99 10.357 -34.047 -7.017 1.00 25.31 O ATOM 1610 CB MET A 99 11.304 -36.025 -4.014 1.00 53.25 C ATOM 1611 CG MET A 99 9.916 -36.483 -3.543 1.00 1.20 C ATOM 1612 SD MET A 99 9.126 -37.822 -4.477 1.00 31.31 S ATOM 1613 CE MET A 99 8.106 -38.513 -3.147 1.00 72.43 C ATOM 1614 OXT MET A 99 9.955 -33.699 -4.863 1.00 0.00 O ATOM 0 H MET A 99 13.194 -35.826 -6.456 1.00 23.43 H new ATOM 0 HA MET A 99 11.028 -36.352 -6.073 1.00 40.03 H new ATOM 0 HB2 MET A 99 11.999 -36.857 -3.897 1.00 53.25 H new ATOM 0 HB3 MET A 99 11.646 -35.229 -3.353 1.00 53.25 H new ATOM 0 HG2 MET A 99 9.999 -36.799 -2.503 1.00 1.20 H new ATOM 0 HG3 MET A 99 9.251 -35.620 -3.561 1.00 1.20 H new ATOM 0 HE1 MET A 99 7.536 -39.360 -3.528 1.00 72.43 H new ATOM 0 HE2 MET A 99 8.748 -38.846 -2.331 1.00 72.43 H new ATOM 0 HE3 MET A 99 7.420 -37.749 -2.780 1.00 72.43 H new TER 1624 MET A 99