USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 733 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 38 THR OG1 : rot -109:sc= 0 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -168:sc= -5.57! (180deg=-6.06!) USER MOD Set 2.1: A 21 MET CE :methyl 173:sc= -0.503 (180deg=-0.691) USER MOD Set 2.2: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 9 SER OG : rot 120:sc= -1.5! USER MOD Set 3.2: A 25 SER OG : rot 176:sc= 0.146 USER MOD Set 4.1: A 3 SER OG : rot 160:sc= -0.826 USER MOD Set 4.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 168:sc= -0.0266 (180deg=-0.233) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -143:sc= -0.0357 (180deg=-1.62) USER MOD Single : A 6 ASN : amide:sc= -2.51! C(o=-2.5!,f=-12!) USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0313) USER MOD Single : A 11 THR OG1 : rot -115:sc= 0.883 USER MOD Single : A 14 LYS NZ :NH3+ 134:sc= -1.47 (180deg=-3.9!) USER MOD Single : A 17 LYS NZ :NH3+ -119:sc= -0.043 (180deg=-2.22!) USER MOD Single : A 18 ASN : amide:sc= -0.843 K(o=-0.84,f=-1.9!) USER MOD Single : A 29 HIS : no HD1:sc= 0.108 K(o=0.11,f=-4.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -99:sc= 1.19 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0245 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= -0.0683 (180deg=-0.414) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -157:sc= -3.02! (180deg=-4.4!) USER MOD Single : A 84 SER OG : rot 83:sc= 1.17 USER MOD Single : A 86 TYR OH : rot 166:sc= -1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.532 -14.408 -0.890 1.00 5.27 N ATOM 2 CA SER A 1 3.953 -14.077 -1.170 1.00 4.57 C ATOM 3 C SER A 1 4.111 -13.492 -2.568 1.00 3.87 C ATOM 4 O SER A 1 5.162 -13.630 -3.195 1.00 4.07 O ATOM 5 CB SER A 1 4.823 -15.329 -1.029 1.00 4.91 C ATOM 6 OG SER A 1 4.406 -16.343 -1.926 1.00 5.15 O ATOM 0 H1 SER A 1 2.474 -14.985 -0.027 1.00 5.27 H new ATOM 0 H2 SER A 1 1.991 -13.530 -0.757 1.00 5.27 H new ATOM 0 H3 SER A 1 2.136 -14.941 -1.690 1.00 5.27 H new ATOM 0 HA SER A 1 4.277 -13.330 -0.445 1.00 4.57 H new ATOM 0 HB2 SER A 1 5.865 -15.075 -1.221 1.00 4.91 H new ATOM 0 HB3 SER A 1 4.769 -15.700 -0.005 1.00 4.91 H new ATOM 0 HG SER A 1 4.978 -17.131 -1.818 1.00 5.15 H new ATOM 14 N ASN A 2 3.061 -12.837 -3.053 1.00 3.40 N ATOM 15 CA ASN A 2 3.084 -12.229 -4.380 1.00 2.96 C ATOM 16 C ASN A 2 3.338 -10.729 -4.285 1.00 2.16 C ATOM 17 O ASN A 2 3.533 -10.189 -3.196 1.00 2.43 O ATOM 18 CB ASN A 2 1.759 -12.487 -5.103 1.00 3.50 C ATOM 19 CG ASN A 2 1.472 -13.965 -5.280 1.00 3.39 C ATOM 20 OD1 ASN A 2 2.387 -14.781 -5.376 1.00 3.86 O ATOM 21 ND2 ASN A 2 0.191 -14.317 -5.325 1.00 3.25 N ATOM 0 H ASN A 2 2.184 -12.713 -2.548 1.00 3.40 H new ATOM 0 HA ASN A 2 3.896 -12.683 -4.948 1.00 2.96 H new ATOM 0 HB2 ASN A 2 0.946 -12.027 -4.540 1.00 3.50 H new ATOM 0 HB3 ASN A 2 1.782 -12.005 -6.080 1.00 3.50 H new ATOM 0 HD21 ASN A 2 -0.065 -15.297 -5.443 1.00 3.25 H new ATOM 0 HD22 ASN A 2 -0.536 -13.607 -5.241 1.00 3.25 H new ATOM 28 N SER A 3 3.340 -10.061 -5.436 1.00 1.75 N ATOM 29 CA SER A 3 3.563 -8.620 -5.486 1.00 1.09 C ATOM 30 C SER A 3 3.089 -8.045 -6.815 1.00 0.88 C ATOM 31 O SER A 3 3.662 -7.084 -7.329 1.00 1.68 O ATOM 32 CB SER A 3 5.042 -8.292 -5.271 1.00 1.05 C ATOM 33 OG SER A 3 5.863 -9.031 -6.158 1.00 1.79 O ATOM 0 H SER A 3 3.190 -10.496 -6.346 1.00 1.75 H new ATOM 0 HA SER A 3 2.984 -8.164 -4.683 1.00 1.09 H new ATOM 0 HB2 SER A 3 5.207 -7.225 -5.422 1.00 1.05 H new ATOM 0 HB3 SER A 3 5.321 -8.515 -4.241 1.00 1.05 H new ATOM 0 HG SER A 3 6.737 -8.594 -6.236 1.00 1.79 H new ATOM 39 N SER A 4 2.037 -8.641 -7.368 1.00 0.65 N ATOM 40 CA SER A 4 1.479 -8.183 -8.634 1.00 0.69 C ATOM 41 C SER A 4 0.403 -7.131 -8.395 1.00 0.84 C ATOM 42 O SER A 4 -0.367 -6.796 -9.296 1.00 1.84 O ATOM 43 CB SER A 4 0.899 -9.357 -9.421 1.00 1.16 C ATOM 44 OG SER A 4 1.895 -10.325 -9.700 1.00 1.99 O ATOM 0 H SER A 4 1.555 -9.441 -6.959 1.00 0.65 H new ATOM 0 HA SER A 4 2.283 -7.734 -9.218 1.00 0.69 H new ATOM 0 HB2 SER A 4 0.090 -9.816 -8.852 1.00 1.16 H new ATOM 0 HB3 SER A 4 0.467 -8.995 -10.354 1.00 1.16 H new ATOM 0 HG SER A 4 1.498 -11.067 -10.203 1.00 1.99 H new ATOM 50 N MET A 5 0.362 -6.618 -7.166 1.00 0.47 N ATOM 51 CA MET A 5 -0.610 -5.599 -6.781 1.00 0.38 C ATOM 52 C MET A 5 -2.041 -6.103 -6.947 1.00 0.54 C ATOM 53 O MET A 5 -2.753 -5.691 -7.862 1.00 1.22 O ATOM 54 CB MET A 5 -0.403 -4.328 -7.599 1.00 0.40 C ATOM 55 CG MET A 5 0.722 -3.456 -7.074 1.00 0.34 C ATOM 56 SD MET A 5 2.322 -4.285 -7.112 1.00 0.56 S ATOM 57 CE MET A 5 3.335 -3.064 -6.288 1.00 0.37 C ATOM 0 H MET A 5 0.996 -6.895 -6.416 1.00 0.47 H new ATOM 0 HA MET A 5 -0.452 -5.373 -5.727 1.00 0.38 H new ATOM 0 HB2 MET A 5 -0.191 -4.600 -8.633 1.00 0.40 H new ATOM 0 HB3 MET A 5 -1.328 -3.752 -7.604 1.00 0.40 H new ATOM 0 HG2 MET A 5 0.776 -2.544 -7.668 1.00 0.34 H new ATOM 0 HG3 MET A 5 0.497 -3.157 -6.050 1.00 0.34 H new ATOM 0 HE1 MET A 5 4.321 -3.036 -6.752 1.00 0.37 H new ATOM 0 HE2 MET A 5 2.866 -2.084 -6.374 1.00 0.37 H new ATOM 0 HE3 MET A 5 3.437 -3.326 -5.235 1.00 0.37 H new ATOM 67 N ASN A 6 -2.455 -6.995 -6.053 1.00 0.27 N ATOM 68 CA ASN A 6 -3.802 -7.558 -6.086 1.00 0.24 C ATOM 69 C ASN A 6 -4.836 -6.496 -5.699 1.00 0.24 C ATOM 70 O ASN A 6 -4.924 -6.119 -4.535 1.00 0.25 O ATOM 71 CB ASN A 6 -3.882 -8.748 -5.126 1.00 0.28 C ATOM 72 CG ASN A 6 -5.131 -9.579 -5.324 1.00 0.92 C ATOM 73 OD1 ASN A 6 -6.156 -9.339 -4.687 1.00 1.72 O ATOM 74 ND2 ASN A 6 -5.051 -10.567 -6.208 1.00 0.87 N ATOM 0 H ASN A 6 -1.874 -7.346 -5.292 1.00 0.27 H new ATOM 0 HA ASN A 6 -4.021 -7.896 -7.099 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -3.005 -9.380 -5.265 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -3.853 -8.383 -4.099 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -5.860 -11.163 -6.381 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -4.180 -10.730 -6.714 1.00 0.87 H new ATOM 81 N PRO A 7 -5.649 -6.005 -6.659 1.00 0.25 N ATOM 82 CA PRO A 7 -6.644 -4.967 -6.376 1.00 0.26 C ATOM 83 C PRO A 7 -7.730 -5.426 -5.410 1.00 0.26 C ATOM 84 O PRO A 7 -8.473 -4.606 -4.874 1.00 0.26 O ATOM 85 CB PRO A 7 -7.239 -4.629 -7.746 1.00 0.28 C ATOM 86 CG PRO A 7 -6.917 -5.787 -8.627 1.00 0.43 C ATOM 87 CD PRO A 7 -5.674 -6.429 -8.071 1.00 0.29 C ATOM 0 HA PRO A 7 -6.185 -4.110 -5.883 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -8.316 -4.478 -7.678 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -6.812 -3.707 -8.141 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -7.743 -6.498 -8.647 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -6.755 -5.458 -9.653 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -5.712 -7.515 -8.160 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.782 -6.097 -8.603 1.00 0.29 H new ATOM 95 N LYS A 8 -7.841 -6.731 -5.192 1.00 0.30 N ATOM 96 CA LYS A 8 -8.839 -7.244 -4.259 1.00 0.33 C ATOM 97 C LYS A 8 -8.345 -7.091 -2.826 1.00 0.27 C ATOM 98 O LYS A 8 -9.073 -6.629 -1.949 1.00 0.26 O ATOM 99 CB LYS A 8 -9.166 -8.714 -4.536 1.00 0.43 C ATOM 100 CG LYS A 8 -9.657 -8.981 -5.947 1.00 0.77 C ATOM 101 CD LYS A 8 -8.555 -9.555 -6.819 1.00 0.59 C ATOM 102 CE LYS A 8 -8.512 -8.868 -8.169 1.00 0.73 C ATOM 103 NZ LYS A 8 -9.784 -9.047 -8.924 1.00 1.39 N ATOM 0 H LYS A 8 -7.264 -7.443 -5.639 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.750 -6.662 -4.397 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -8.275 -9.315 -4.352 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -9.926 -9.046 -3.829 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -10.497 -9.675 -5.916 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -10.025 -8.054 -6.387 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -7.594 -9.439 -6.318 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -8.716 -10.624 -6.957 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -8.319 -7.804 -8.029 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -7.683 -9.268 -8.754 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -9.668 -8.682 -9.891 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -10.026 -10.058 -8.963 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -10.547 -8.527 -8.446 1.00 1.39 H new ATOM 117 N SER A 9 -7.097 -7.488 -2.606 1.00 0.26 N ATOM 118 CA SER A 9 -6.483 -7.417 -1.287 1.00 0.26 C ATOM 119 C SER A 9 -6.060 -5.996 -0.939 1.00 0.19 C ATOM 120 O SER A 9 -6.308 -5.520 0.169 1.00 0.23 O ATOM 121 CB SER A 9 -5.274 -8.352 -1.231 1.00 0.33 C ATOM 122 OG SER A 9 -4.770 -8.462 0.085 1.00 0.71 O ATOM 0 H SER A 9 -6.487 -7.865 -3.331 1.00 0.26 H new ATOM 0 HA SER A 9 -7.225 -7.730 -0.552 1.00 0.26 H new ATOM 0 HB2 SER A 9 -5.557 -9.339 -1.598 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.492 -7.979 -1.892 1.00 0.33 H new ATOM 0 HG SER A 9 -4.813 -9.397 0.375 1.00 0.71 H new ATOM 128 N LEU A 10 -5.417 -5.327 -1.887 1.00 0.15 N ATOM 129 CA LEU A 10 -4.953 -3.962 -1.678 1.00 0.20 C ATOM 130 C LEU A 10 -6.108 -3.022 -1.361 1.00 0.19 C ATOM 131 O LEU A 10 -5.887 -1.875 -0.982 1.00 0.27 O ATOM 132 CB LEU A 10 -4.216 -3.444 -2.915 1.00 0.24 C ATOM 133 CG LEU A 10 -2.972 -4.239 -3.324 1.00 0.27 C ATOM 134 CD1 LEU A 10 -2.285 -3.578 -4.508 1.00 0.47 C ATOM 135 CD2 LEU A 10 -2.007 -4.374 -2.156 1.00 0.50 C ATOM 0 H LEU A 10 -5.205 -5.708 -2.809 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.272 -3.984 -0.827 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -4.912 -3.435 -3.754 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -3.922 -2.410 -2.734 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.289 -5.239 -3.620 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -1.403 -4.155 -4.786 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -2.973 -3.538 -5.352 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -1.985 -2.566 -4.236 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.132 -4.942 -2.471 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -1.696 -3.383 -1.824 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.500 -4.893 -1.335 1.00 0.50 H new ATOM 147 N THR A 11 -7.336 -3.500 -1.513 1.00 0.14 N ATOM 148 CA THR A 11 -8.493 -2.655 -1.247 1.00 0.18 C ATOM 149 C THR A 11 -9.418 -3.286 -0.216 1.00 0.15 C ATOM 150 O THR A 11 -10.607 -2.970 -0.151 1.00 0.18 O ATOM 151 CB THR A 11 -9.267 -2.363 -2.542 1.00 0.25 C ATOM 152 OG1 THR A 11 -10.003 -3.524 -2.945 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.310 -1.951 -3.657 1.00 0.35 C ATOM 0 H THR A 11 -7.555 -4.450 -1.813 1.00 0.14 H new ATOM 0 HA THR A 11 -8.122 -1.714 -0.840 1.00 0.18 H new ATOM 0 HB THR A 11 -9.960 -1.543 -2.352 1.00 0.25 H new ATOM 0 HG1 THR A 11 -9.653 -3.853 -3.799 1.00 0.31 H new ATOM 0 HG21 THR A 11 -8.876 -1.748 -4.566 1.00 0.35 H new ATOM 0 HG22 THR A 11 -7.769 -1.053 -3.359 1.00 0.35 H new ATOM 0 HG23 THR A 11 -7.600 -2.757 -3.844 1.00 0.35 H new ATOM 161 N ASP A 12 -8.858 -4.182 0.587 1.00 0.11 N ATOM 162 CA ASP A 12 -9.605 -4.855 1.633 1.00 0.12 C ATOM 163 C ASP A 12 -9.115 -4.344 2.983 1.00 0.11 C ATOM 164 O ASP A 12 -7.958 -4.562 3.338 1.00 0.10 O ATOM 165 CB ASP A 12 -9.423 -6.369 1.535 1.00 0.14 C ATOM 166 CG ASP A 12 -10.435 -7.130 2.366 1.00 0.24 C ATOM 167 OD1 ASP A 12 -11.605 -7.220 1.942 1.00 0.57 O ATOM 168 OD2 ASP A 12 -10.057 -7.639 3.443 1.00 0.51 O ATOM 0 H ASP A 12 -7.878 -4.459 0.529 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.668 -4.642 1.521 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.510 -6.675 0.493 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.417 -6.633 1.862 1.00 0.14 H new ATOM 173 N PRO A 13 -9.979 -3.657 3.751 1.00 0.11 N ATOM 174 CA PRO A 13 -9.602 -3.090 5.046 1.00 0.11 C ATOM 175 C PRO A 13 -8.788 -4.034 5.926 1.00 0.12 C ATOM 176 O PRO A 13 -8.120 -3.589 6.856 1.00 0.13 O ATOM 177 CB PRO A 13 -10.948 -2.786 5.694 1.00 0.12 C ATOM 178 CG PRO A 13 -11.819 -2.442 4.544 1.00 0.12 C ATOM 179 CD PRO A 13 -11.390 -3.356 3.425 1.00 0.11 C ATOM 0 HA PRO A 13 -8.951 -2.225 4.921 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.331 -3.645 6.244 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.875 -1.961 6.402 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.870 -2.590 4.790 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.702 -1.396 4.262 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -11.996 -4.261 3.390 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.484 -2.872 2.453 1.00 0.11 H new ATOM 187 N LYS A 14 -8.849 -5.332 5.649 1.00 0.13 N ATOM 188 CA LYS A 14 -8.094 -6.295 6.443 1.00 0.15 C ATOM 189 C LYS A 14 -6.601 -6.020 6.305 1.00 0.13 C ATOM 190 O LYS A 14 -5.888 -5.889 7.300 1.00 0.16 O ATOM 191 CB LYS A 14 -8.411 -7.729 6.016 1.00 0.18 C ATOM 192 CG LYS A 14 -8.493 -8.706 7.182 1.00 0.34 C ATOM 193 CD LYS A 14 -7.209 -8.725 7.999 1.00 0.60 C ATOM 194 CE LYS A 14 -6.053 -9.313 7.209 1.00 0.54 C ATOM 195 NZ LYS A 14 -4.819 -9.429 8.033 1.00 1.37 N ATOM 0 H LYS A 14 -9.403 -5.737 4.894 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.385 -6.184 7.488 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.358 -7.738 5.477 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.645 -8.070 5.320 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -9.329 -8.433 7.826 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.697 -9.707 6.803 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -6.960 -7.710 8.310 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -7.363 -9.307 8.907 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -6.333 -10.298 6.834 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -5.852 -8.687 6.340 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -4.393 -10.367 7.891 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -4.141 -8.694 7.748 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -5.060 -9.307 9.037 1.00 1.37 H new ATOM 209 N LEU A 15 -6.141 -5.932 5.063 1.00 0.09 N ATOM 210 CA LEU A 15 -4.741 -5.653 4.780 1.00 0.08 C ATOM 211 C LEU A 15 -4.424 -4.201 5.081 1.00 0.08 C ATOM 212 O LEU A 15 -3.412 -3.884 5.698 1.00 0.09 O ATOM 213 CB LEU A 15 -4.428 -5.928 3.306 1.00 0.08 C ATOM 214 CG LEU A 15 -4.430 -7.397 2.885 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.459 -8.179 3.741 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.830 -7.983 2.980 1.00 0.12 C ATOM 0 H LEU A 15 -6.721 -6.051 4.233 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.133 -6.302 5.410 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.156 -5.394 2.695 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.449 -5.506 3.078 1.00 0.08 H new ATOM 0 HG LEU A 15 -4.111 -7.465 1.845 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.466 -9.225 3.435 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.456 -7.771 3.618 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.755 -8.105 4.787 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.808 -9.029 2.676 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.185 -7.912 4.008 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.502 -7.429 2.325 1.00 0.12 H new ATOM 228 N LEU A 16 -5.303 -3.328 4.629 1.00 0.10 N ATOM 229 CA LEU A 16 -5.141 -1.898 4.815 1.00 0.12 C ATOM 230 C LEU A 16 -4.896 -1.547 6.281 1.00 0.16 C ATOM 231 O LEU A 16 -3.949 -0.830 6.602 1.00 0.27 O ATOM 232 CB LEU A 16 -6.381 -1.186 4.282 1.00 0.10 C ATOM 233 CG LEU A 16 -6.841 -1.671 2.908 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.232 -1.148 2.588 1.00 0.10 C ATOM 235 CD2 LEU A 16 -5.843 -1.244 1.842 1.00 0.18 C ATOM 0 H LEU A 16 -6.149 -3.589 4.123 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.263 -1.566 4.261 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.196 -1.319 4.993 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.177 -0.117 4.228 1.00 0.10 H new ATOM 0 HG LEU A 16 -6.890 -2.760 2.922 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.538 -1.506 1.605 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -8.936 -1.504 3.340 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.220 -0.058 2.589 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.180 -1.595 0.867 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -5.766 -0.157 1.830 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -4.867 -1.674 2.065 1.00 0.18 H new ATOM 247 N LYS A 17 -5.750 -2.051 7.166 1.00 0.14 N ATOM 248 CA LYS A 17 -5.600 -1.792 8.594 1.00 0.17 C ATOM 249 C LYS A 17 -4.324 -2.442 9.114 1.00 0.18 C ATOM 250 O LYS A 17 -3.750 -2.006 10.112 1.00 0.22 O ATOM 251 CB LYS A 17 -6.819 -2.307 9.361 1.00 0.19 C ATOM 252 CG LYS A 17 -8.094 -1.554 9.035 1.00 0.20 C ATOM 253 CD LYS A 17 -9.310 -2.227 9.646 1.00 0.24 C ATOM 254 CE LYS A 17 -10.577 -1.454 9.335 1.00 0.31 C ATOM 255 NZ LYS A 17 -11.774 -2.061 9.981 1.00 0.88 N ATOM 0 H LYS A 17 -6.548 -2.637 6.922 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.529 -0.716 8.750 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -6.962 -3.364 9.136 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.625 -2.233 10.431 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -8.019 -0.532 9.405 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.216 -1.493 7.953 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.398 -3.244 9.263 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.183 -2.303 10.726 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.466 -0.424 9.674 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -10.725 -1.420 8.256 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -12.454 -2.350 9.249 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -11.485 -2.893 10.534 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -12.219 -1.364 10.611 1.00 0.88 H new ATOM 269 N ASN A 18 -3.891 -3.493 8.425 1.00 0.14 N ATOM 270 CA ASN A 18 -2.671 -4.204 8.779 1.00 0.15 C ATOM 271 C ASN A 18 -1.657 -4.032 7.658 1.00 0.13 C ATOM 272 O ASN A 18 -1.317 -4.989 6.967 1.00 0.11 O ATOM 273 CB ASN A 18 -2.960 -5.694 8.999 1.00 0.16 C ATOM 274 CG ASN A 18 -2.176 -6.273 10.160 1.00 0.24 C ATOM 275 OD1 ASN A 18 -1.818 -5.562 11.099 1.00 0.50 O ATOM 276 ND2 ASN A 18 -1.907 -7.573 10.104 1.00 0.53 N ATOM 0 H ASN A 18 -4.374 -3.873 7.611 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.272 -3.794 9.707 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -4.026 -5.831 9.181 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -2.718 -6.246 8.091 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.385 -8.019 10.858 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.223 -8.125 9.307 1.00 0.53 H new ATOM 283 N ILE A 19 -1.193 -2.791 7.479 1.00 0.13 N ATOM 284 CA ILE A 19 -0.235 -2.465 6.425 1.00 0.12 C ATOM 285 C ILE A 19 0.787 -3.583 6.209 1.00 0.10 C ATOM 286 O ILE A 19 1.022 -3.976 5.070 1.00 0.09 O ATOM 287 CB ILE A 19 0.498 -1.136 6.698 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.456 0.054 6.527 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.701 -0.990 5.771 1.00 0.19 C ATOM 290 CD1 ILE A 19 -0.956 0.253 5.105 1.00 0.49 C ATOM 0 H ILE A 19 -1.468 -1.995 8.054 1.00 0.13 H new ATOM 0 HA ILE A 19 -0.822 -2.354 5.513 1.00 0.12 H new ATOM 0 HB ILE A 19 0.853 -1.147 7.729 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.313 -0.085 7.186 1.00 0.20 H new ATOM 0 HG13 ILE A 19 0.052 0.962 6.852 1.00 0.20 H new ATOM 0 HG21 ILE A 19 2.207 -0.047 5.977 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.392 -1.816 5.939 1.00 0.19 H new ATOM 0 HG23 ILE A 19 1.365 -1.003 4.734 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -1.624 1.114 5.071 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -0.108 0.426 4.442 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -1.495 -0.637 4.781 1.00 0.49 H new ATOM 302 N PRO A 20 1.437 -4.096 7.274 1.00 0.12 N ATOM 303 CA PRO A 20 2.399 -5.187 7.129 1.00 0.12 C ATOM 304 C PRO A 20 1.836 -6.294 6.251 1.00 0.11 C ATOM 305 O PRO A 20 2.464 -6.731 5.287 1.00 0.14 O ATOM 306 CB PRO A 20 2.570 -5.688 8.559 1.00 0.14 C ATOM 307 CG PRO A 20 2.354 -4.479 9.397 1.00 0.15 C ATOM 308 CD PRO A 20 1.317 -3.652 8.680 1.00 0.14 C ATOM 0 HA PRO A 20 3.331 -4.871 6.661 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.849 -6.471 8.796 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.562 -6.110 8.717 1.00 0.14 H new ATOM 0 HG2 PRO A 20 2.012 -4.753 10.395 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.281 -3.920 9.520 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.317 -3.832 9.074 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.513 -2.585 8.783 1.00 0.14 H new ATOM 316 N MET A 21 0.634 -6.730 6.605 1.00 0.10 N ATOM 317 CA MET A 21 -0.072 -7.764 5.867 1.00 0.10 C ATOM 318 C MET A 21 -0.357 -7.273 4.450 1.00 0.08 C ATOM 319 O MET A 21 -0.217 -8.016 3.481 1.00 0.10 O ATOM 320 CB MET A 21 -1.365 -8.097 6.607 1.00 0.13 C ATOM 321 CG MET A 21 -1.867 -9.518 6.401 1.00 0.25 C ATOM 322 SD MET A 21 -0.588 -10.771 6.629 1.00 0.94 S ATOM 323 CE MET A 21 0.162 -10.242 8.167 1.00 0.54 C ATOM 0 H MET A 21 0.122 -6.375 7.413 1.00 0.10 H new ATOM 0 HA MET A 21 0.535 -8.667 5.796 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.210 -7.932 7.673 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.141 -7.402 6.286 1.00 0.13 H new ATOM 0 HG2 MET A 21 -2.683 -9.712 7.097 1.00 0.25 H new ATOM 0 HG3 MET A 21 -2.278 -9.608 5.395 1.00 0.25 H new ATOM 0 HE1 MET A 21 0.884 -10.990 8.496 1.00 0.54 H new ATOM 0 HE2 MET A 21 0.670 -9.289 8.015 1.00 0.54 H new ATOM 0 HE3 MET A 21 -0.610 -10.124 8.927 1.00 0.54 H new ATOM 333 N TRP A 22 -0.781 -6.016 4.347 1.00 0.06 N ATOM 334 CA TRP A 22 -1.039 -5.393 3.059 1.00 0.06 C ATOM 335 C TRP A 22 0.192 -5.523 2.175 1.00 0.06 C ATOM 336 O TRP A 22 0.092 -5.730 0.967 1.00 0.08 O ATOM 337 CB TRP A 22 -1.399 -3.921 3.272 1.00 0.07 C ATOM 338 CG TRP A 22 -1.796 -3.203 2.023 1.00 0.08 C ATOM 339 CD1 TRP A 22 -3.011 -3.245 1.404 1.00 0.09 C ATOM 340 CD2 TRP A 22 -0.975 -2.328 1.242 1.00 0.08 C ATOM 341 NE1 TRP A 22 -2.999 -2.449 0.286 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.758 -1.879 0.162 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.347 -1.882 1.350 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.267 -1.009 -0.805 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.834 -1.015 0.387 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.029 -0.589 -0.679 1.00 0.11 C ATOM 0 H TRP A 22 -0.953 -5.408 5.148 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.874 -5.891 2.566 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.217 -3.858 3.990 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.545 -3.410 3.716 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.859 -3.821 1.744 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.784 -2.305 -0.349 1.00 0.10 H new ATOM 0 HE3 TRP A 22 0.974 -2.207 2.167 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.886 -0.677 -1.625 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 1.852 -0.661 0.458 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.441 0.085 -1.416 1.00 0.11 H new ATOM 357 N LEU A 23 1.353 -5.398 2.805 1.00 0.06 N ATOM 358 CA LEU A 23 2.624 -5.524 2.122 1.00 0.08 C ATOM 359 C LEU A 23 2.926 -6.991 1.850 1.00 0.10 C ATOM 360 O LEU A 23 3.651 -7.319 0.915 1.00 0.13 O ATOM 361 CB LEU A 23 3.731 -4.913 2.972 1.00 0.09 C ATOM 362 CG LEU A 23 3.719 -3.387 3.055 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.753 -2.906 4.055 1.00 0.10 C ATOM 364 CD2 LEU A 23 3.976 -2.776 1.688 1.00 0.10 C ATOM 0 H LEU A 23 1.435 -5.206 3.804 1.00 0.06 H new ATOM 0 HA LEU A 23 2.571 -4.993 1.172 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.657 -5.317 3.982 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.693 -5.232 2.571 1.00 0.09 H new ATOM 0 HG LEU A 23 2.734 -3.067 3.393 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.733 -1.817 4.104 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.527 -3.317 5.039 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.743 -3.237 3.742 1.00 0.10 H new ATOM 0 HD21 LEU A 23 3.964 -1.689 1.767 1.00 0.10 H new ATOM 0 HD22 LEU A 23 4.949 -3.102 1.321 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.200 -3.098 0.994 1.00 0.10 H new ATOM 376 N LYS A 24 2.385 -7.869 2.697 1.00 0.10 N ATOM 377 CA LYS A 24 2.572 -9.293 2.535 1.00 0.13 C ATOM 378 C LYS A 24 2.095 -9.734 1.157 1.00 0.13 C ATOM 379 O LYS A 24 2.701 -10.597 0.521 1.00 0.16 O ATOM 380 CB LYS A 24 1.829 -10.047 3.619 1.00 0.17 C ATOM 381 CG LYS A 24 2.714 -11.068 4.260 1.00 0.51 C ATOM 382 CD LYS A 24 2.737 -10.941 5.760 1.00 1.24 C ATOM 383 CE LYS A 24 3.070 -9.531 6.222 1.00 2.30 C ATOM 384 NZ LYS A 24 3.900 -9.533 7.459 1.00 3.29 N ATOM 0 H LYS A 24 1.814 -7.608 3.501 1.00 0.10 H new ATOM 0 HA LYS A 24 3.635 -9.519 2.623 1.00 0.13 H new ATOM 0 HB2 LYS A 24 1.469 -9.347 4.373 1.00 0.17 H new ATOM 0 HB3 LYS A 24 0.953 -10.535 3.193 1.00 0.17 H new ATOM 0 HG2 LYS A 24 2.371 -12.066 3.987 1.00 0.51 H new ATOM 0 HG3 LYS A 24 3.727 -10.962 3.873 1.00 0.51 H new ATOM 0 HD2 LYS A 24 1.766 -11.231 6.160 1.00 1.24 H new ATOM 0 HD3 LYS A 24 3.470 -11.636 6.169 1.00 1.24 H new ATOM 0 HE2 LYS A 24 3.602 -9.005 5.429 1.00 2.30 H new ATOM 0 HE3 LYS A 24 2.147 -8.981 6.405 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 4.105 -8.553 7.741 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 3.383 -10.012 8.223 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 4.792 -10.035 7.277 1.00 3.29 H new ATOM 398 N SER A 25 0.997 -9.130 0.707 1.00 0.13 N ATOM 399 CA SER A 25 0.435 -9.432 -0.605 1.00 0.15 C ATOM 400 C SER A 25 1.281 -8.779 -1.694 1.00 0.14 C ATOM 401 O SER A 25 1.114 -9.056 -2.882 1.00 0.20 O ATOM 402 CB SER A 25 -1.020 -8.952 -0.692 1.00 0.20 C ATOM 403 OG SER A 25 -1.863 -9.730 0.141 1.00 0.96 O ATOM 0 H SER A 25 0.479 -8.427 1.234 1.00 0.13 H new ATOM 0 HA SER A 25 0.445 -10.512 -0.752 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.079 -7.904 -0.398 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.366 -9.013 -1.724 1.00 0.20 H new ATOM 0 HG SER A 25 -2.770 -9.360 0.125 1.00 0.96 H new ATOM 409 N LEU A 26 2.193 -7.909 -1.266 1.00 0.12 N ATOM 410 CA LEU A 26 3.096 -7.208 -2.168 1.00 0.13 C ATOM 411 C LEU A 26 4.530 -7.607 -1.851 1.00 0.16 C ATOM 412 O LEU A 26 5.473 -6.957 -2.294 1.00 0.28 O ATOM 413 CB LEU A 26 2.942 -5.695 -2.009 1.00 0.14 C ATOM 414 CG LEU A 26 1.505 -5.183 -2.011 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.460 -3.719 -1.597 1.00 0.38 C ATOM 416 CD2 LEU A 26 0.876 -5.373 -3.382 1.00 0.66 C ATOM 0 H LEU A 26 2.325 -7.672 -0.283 1.00 0.12 H new ATOM 0 HA LEU A 26 2.852 -7.479 -3.195 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.416 -5.394 -1.075 1.00 0.14 H new ATOM 0 HB3 LEU A 26 3.487 -5.204 -2.816 1.00 0.14 H new ATOM 0 HG LEU A 26 0.930 -5.761 -1.287 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.427 -3.370 -1.604 1.00 0.38 H new ATOM 0 HD12 LEU A 26 1.872 -3.612 -0.594 1.00 0.38 H new ATOM 0 HD13 LEU A 26 2.048 -3.125 -2.296 1.00 0.38 H new ATOM 0 HD21 LEU A 26 -0.149 -5.003 -3.367 1.00 0.66 H new ATOM 0 HD22 LEU A 26 1.450 -4.820 -4.126 1.00 0.66 H new ATOM 0 HD23 LEU A 26 0.875 -6.432 -3.638 1.00 0.66 H new ATOM 428 N ARG A 27 4.656 -8.672 -1.055 1.00 0.15 N ATOM 429 CA ARG A 27 5.937 -9.216 -0.602 1.00 0.21 C ATOM 430 C ARG A 27 6.816 -8.156 0.062 1.00 0.21 C ATOM 431 O ARG A 27 7.923 -8.459 0.509 1.00 0.35 O ATOM 432 CB ARG A 27 6.693 -9.858 -1.751 1.00 0.31 C ATOM 433 CG ARG A 27 7.574 -8.881 -2.484 1.00 1.11 C ATOM 434 CD ARG A 27 7.920 -9.395 -3.855 1.00 2.02 C ATOM 435 NE ARG A 27 8.819 -10.545 -3.800 1.00 2.71 N ATOM 436 CZ ARG A 27 8.876 -11.484 -4.742 1.00 3.55 C ATOM 437 NH1 ARG A 27 8.085 -11.411 -5.805 1.00 3.89 N ATOM 438 NH2 ARG A 27 9.724 -12.496 -4.621 1.00 4.34 N ATOM 0 H ARG A 27 3.852 -9.191 -0.700 1.00 0.15 H new ATOM 0 HA ARG A 27 5.703 -9.975 0.145 1.00 0.21 H new ATOM 0 HB2 ARG A 27 7.304 -10.675 -1.367 1.00 0.31 H new ATOM 0 HB3 ARG A 27 5.980 -10.294 -2.451 1.00 0.31 H new ATOM 0 HG2 ARG A 27 7.066 -7.920 -2.569 1.00 1.11 H new ATOM 0 HG3 ARG A 27 8.487 -8.710 -1.914 1.00 1.11 H new ATOM 0 HD2 ARG A 27 7.006 -9.675 -4.378 1.00 2.02 H new ATOM 0 HD3 ARG A 27 8.387 -8.598 -4.433 1.00 2.02 H new ATOM 0 HE ARG A 27 9.438 -10.634 -2.994 1.00 2.71 H new ATOM 0 HH11 ARG A 27 7.431 -10.634 -5.902 1.00 3.89 H new ATOM 0 HH12 ARG A 27 8.131 -12.132 -6.525 1.00 3.89 H new ATOM 0 HH21 ARG A 27 10.334 -12.556 -3.805 1.00 4.34 H new ATOM 0 HH22 ARG A 27 9.767 -13.215 -5.343 1.00 4.34 H new ATOM 452 N LEU A 28 6.329 -6.922 0.135 1.00 0.14 N ATOM 453 CA LEU A 28 7.103 -5.851 0.740 1.00 0.14 C ATOM 454 C LEU A 28 6.957 -5.864 2.251 1.00 0.13 C ATOM 455 O LEU A 28 7.220 -4.859 2.910 1.00 0.13 O ATOM 456 CB LEU A 28 6.684 -4.485 0.186 1.00 0.16 C ATOM 457 CG LEU A 28 7.101 -4.212 -1.259 1.00 0.21 C ATOM 458 CD1 LEU A 28 5.897 -3.798 -2.089 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.174 -3.137 -1.310 1.00 0.67 C ATOM 0 H LEU A 28 5.412 -6.643 -0.214 1.00 0.14 H new ATOM 0 HA LEU A 28 8.150 -6.020 0.488 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.600 -4.400 0.257 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.107 -3.708 0.822 1.00 0.16 H new ATOM 0 HG LEU A 28 7.512 -5.130 -1.678 1.00 0.21 H new ATOM 0 HD11 LEU A 28 6.211 -3.607 -3.115 1.00 0.67 H new ATOM 0 HD12 LEU A 28 5.156 -4.597 -2.079 1.00 0.67 H new ATOM 0 HD13 LEU A 28 5.460 -2.892 -1.669 1.00 0.67 H new ATOM 0 HD21 LEU A 28 8.459 -2.956 -2.346 1.00 0.67 H new ATOM 0 HD22 LEU A 28 7.787 -2.216 -0.874 1.00 0.67 H new ATOM 0 HD23 LEU A 28 9.047 -3.467 -0.747 1.00 0.67 H new ATOM 471 N HIS A 29 6.517 -6.997 2.805 1.00 0.13 N ATOM 472 CA HIS A 29 6.398 -7.115 4.252 1.00 0.13 C ATOM 473 C HIS A 29 7.763 -6.828 4.847 1.00 0.12 C ATOM 474 O HIS A 29 7.923 -6.619 6.047 1.00 0.13 O ATOM 475 CB HIS A 29 5.922 -8.505 4.661 1.00 0.14 C ATOM 476 CG HIS A 29 6.735 -9.618 4.075 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.773 -9.889 2.724 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.541 -10.533 4.664 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.567 -10.922 2.507 1.00 0.20 C ATOM 480 NE2 HIS A 29 8.047 -11.330 3.667 1.00 0.24 N ATOM 0 H HIS A 29 6.243 -7.828 2.281 1.00 0.13 H new ATOM 0 HA HIS A 29 5.657 -6.406 4.620 1.00 0.13 H new ATOM 0 HB2 HIS A 29 5.947 -8.582 5.748 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.883 -8.627 4.357 1.00 0.14 H new ATOM 0 HD2 HIS A 29 7.747 -10.620 5.721 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.786 -11.359 1.544 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.690 -12.111 3.801 1.00 0.24 H new ATOM 489 N LYS A 30 8.746 -6.860 3.962 1.00 0.12 N ATOM 490 CA LYS A 30 10.119 -6.555 4.301 1.00 0.12 C ATOM 491 C LYS A 30 10.163 -5.181 4.938 1.00 0.11 C ATOM 492 O LYS A 30 10.774 -4.965 5.985 1.00 0.17 O ATOM 493 CB LYS A 30 10.985 -6.570 3.032 1.00 0.15 C ATOM 494 CG LYS A 30 10.277 -6.165 1.757 1.00 0.28 C ATOM 495 CD LYS A 30 11.166 -6.409 0.554 1.00 0.59 C ATOM 496 CE LYS A 30 10.606 -5.738 -0.679 1.00 0.65 C ATOM 497 NZ LYS A 30 11.523 -5.859 -1.847 1.00 0.72 N ATOM 0 H LYS A 30 8.608 -7.101 2.981 1.00 0.12 H new ATOM 0 HA LYS A 30 10.506 -7.300 4.996 1.00 0.12 H new ATOM 0 HB2 LYS A 30 11.833 -5.903 3.184 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.389 -7.574 2.900 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.351 -6.731 1.653 1.00 0.28 H new ATOM 0 HG3 LYS A 30 10.003 -5.111 1.806 1.00 0.28 H new ATOM 0 HD2 LYS A 30 12.168 -6.030 0.755 1.00 0.59 H new ATOM 0 HD3 LYS A 30 11.260 -7.481 0.378 1.00 0.59 H new ATOM 0 HE2 LYS A 30 9.642 -6.183 -0.927 1.00 0.65 H new ATOM 0 HE3 LYS A 30 10.426 -4.684 -0.468 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 11.100 -5.385 -2.671 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 12.434 -5.412 -1.621 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 11.675 -6.864 -2.066 1.00 0.72 H new ATOM 511 N TYR A 31 9.490 -4.265 4.269 1.00 0.10 N ATOM 512 CA TYR A 31 9.377 -2.884 4.708 1.00 0.10 C ATOM 513 C TYR A 31 8.097 -2.673 5.502 1.00 0.11 C ATOM 514 O TYR A 31 7.586 -1.558 5.591 1.00 0.16 O ATOM 515 CB TYR A 31 9.401 -1.972 3.490 1.00 0.12 C ATOM 516 CG TYR A 31 10.658 -2.128 2.670 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.914 -1.949 3.237 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.585 -2.476 1.331 1.00 0.16 C ATOM 519 CE1 TYR A 31 13.063 -2.108 2.489 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.730 -2.639 0.576 1.00 0.20 C ATOM 521 CZ TYR A 31 12.966 -2.454 1.158 1.00 0.23 C ATOM 522 OH TYR A 31 14.109 -2.615 0.409 1.00 0.28 O ATOM 0 H TYR A 31 9.000 -4.459 3.396 1.00 0.10 H new ATOM 0 HA TYR A 31 10.217 -2.646 5.360 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.535 -2.186 2.864 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.311 -0.936 3.815 1.00 0.12 H new ATOM 0 HD1 TYR A 31 11.992 -1.681 4.280 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.619 -2.622 0.871 1.00 0.16 H new ATOM 0 HE1 TYR A 31 14.032 -1.962 2.943 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.657 -2.910 -0.467 1.00 0.20 H new ATOM 0 HH TYR A 31 13.867 -2.860 -0.509 1.00 0.28 H new ATOM 532 N SER A 32 7.580 -3.756 6.079 1.00 0.10 N ATOM 533 CA SER A 32 6.360 -3.682 6.869 1.00 0.12 C ATOM 534 C SER A 32 6.570 -2.797 8.079 1.00 0.13 C ATOM 535 O SER A 32 5.720 -1.988 8.415 1.00 0.16 O ATOM 536 CB SER A 32 5.911 -5.072 7.319 1.00 0.13 C ATOM 537 OG SER A 32 6.850 -5.648 8.210 1.00 1.30 O ATOM 0 H SER A 32 7.987 -4.689 6.013 1.00 0.10 H new ATOM 0 HA SER A 32 5.580 -3.253 6.240 1.00 0.12 H new ATOM 0 HB2 SER A 32 4.938 -5.003 7.806 1.00 0.13 H new ATOM 0 HB3 SER A 32 5.788 -5.717 6.449 1.00 0.13 H new ATOM 0 HG SER A 32 7.431 -6.266 7.719 1.00 1.30 H new ATOM 543 N ASP A 33 7.709 -2.963 8.731 1.00 0.12 N ATOM 544 CA ASP A 33 8.035 -2.168 9.909 1.00 0.14 C ATOM 545 C ASP A 33 8.132 -0.686 9.558 1.00 0.14 C ATOM 546 O ASP A 33 7.713 0.176 10.332 1.00 0.20 O ATOM 547 CB ASP A 33 9.357 -2.640 10.510 1.00 0.17 C ATOM 548 CG ASP A 33 9.509 -2.241 11.965 1.00 1.10 C ATOM 549 OD1 ASP A 33 9.922 -1.092 12.225 1.00 1.00 O ATOM 550 OD2 ASP A 33 9.216 -3.079 12.843 1.00 2.21 O ATOM 0 H ASP A 33 8.425 -3.640 8.467 1.00 0.12 H new ATOM 0 HA ASP A 33 7.236 -2.300 10.639 1.00 0.14 H new ATOM 0 HB2 ASP A 33 9.424 -3.725 10.425 1.00 0.17 H new ATOM 0 HB3 ASP A 33 10.183 -2.223 9.934 1.00 0.17 H new ATOM 555 N ALA A 34 8.686 -0.402 8.385 1.00 0.12 N ATOM 556 CA ALA A 34 8.858 0.972 7.922 1.00 0.13 C ATOM 557 C ALA A 34 7.566 1.571 7.383 1.00 0.12 C ATOM 558 O ALA A 34 7.380 2.787 7.410 1.00 0.15 O ATOM 559 CB ALA A 34 9.937 1.027 6.854 1.00 0.15 C ATOM 0 H ALA A 34 9.026 -1.109 7.733 1.00 0.12 H new ATOM 0 HA ALA A 34 9.156 1.568 8.784 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.060 2.055 6.513 1.00 0.15 H new ATOM 0 HB2 ALA A 34 10.879 0.667 7.269 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.648 0.398 6.012 1.00 0.15 H new ATOM 565 N LEU A 35 6.674 0.720 6.902 1.00 0.10 N ATOM 566 CA LEU A 35 5.416 1.184 6.333 1.00 0.09 C ATOM 567 C LEU A 35 4.238 0.965 7.282 1.00 0.09 C ATOM 568 O LEU A 35 3.155 1.502 7.063 1.00 0.12 O ATOM 569 CB LEU A 35 5.163 0.471 5.002 1.00 0.09 C ATOM 570 CG LEU A 35 5.803 1.103 3.752 1.00 0.19 C ATOM 571 CD1 LEU A 35 6.896 2.113 4.101 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.354 0.014 2.836 1.00 0.14 C ATOM 0 H LEU A 35 6.796 -0.293 6.893 1.00 0.10 H new ATOM 0 HA LEU A 35 5.500 2.258 6.168 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.525 -0.554 5.090 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.086 0.416 4.843 1.00 0.09 H new ATOM 0 HG LEU A 35 5.019 1.653 3.230 1.00 0.19 H new ATOM 0 HD11 LEU A 35 7.314 2.528 3.184 1.00 0.47 H new ATOM 0 HD12 LEU A 35 6.470 2.916 4.702 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.684 1.615 4.666 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.804 0.473 1.955 1.00 0.14 H new ATOM 0 HD22 LEU A 35 7.109 -0.563 3.370 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.543 -0.646 2.527 1.00 0.14 H new ATOM 584 N SER A 36 4.453 0.190 8.341 1.00 0.10 N ATOM 585 CA SER A 36 3.390 -0.091 9.303 1.00 0.10 C ATOM 586 C SER A 36 2.974 1.178 10.033 1.00 0.10 C ATOM 587 O SER A 36 1.785 1.463 10.175 1.00 0.11 O ATOM 588 CB SER A 36 3.838 -1.142 10.325 1.00 0.13 C ATOM 589 OG SER A 36 2.825 -1.381 11.287 1.00 0.95 O ATOM 0 H SER A 36 5.347 -0.252 8.555 1.00 0.10 H new ATOM 0 HA SER A 36 2.538 -0.480 8.746 1.00 0.10 H new ATOM 0 HB2 SER A 36 4.083 -2.072 9.812 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.746 -0.804 10.824 1.00 0.13 H new ATOM 0 HG SER A 36 3.134 -2.056 11.927 1.00 0.95 H new ATOM 595 N GLY A 37 3.966 1.933 10.500 1.00 0.12 N ATOM 596 CA GLY A 37 3.691 3.171 11.206 1.00 0.13 C ATOM 597 C GLY A 37 2.804 4.096 10.400 1.00 0.12 C ATOM 598 O GLY A 37 2.221 5.039 10.938 1.00 0.15 O ATOM 0 H GLY A 37 4.956 1.708 10.401 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.211 2.947 12.159 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.630 3.676 11.433 1.00 0.13 H new ATOM 602 N THR A 38 2.709 3.825 9.104 1.00 0.08 N ATOM 603 CA THR A 38 1.887 4.622 8.211 1.00 0.08 C ATOM 604 C THR A 38 0.696 3.803 7.706 1.00 0.07 C ATOM 605 O THR A 38 0.880 2.723 7.156 1.00 0.08 O ATOM 606 CB THR A 38 2.705 5.128 7.007 1.00 0.09 C ATOM 607 OG1 THR A 38 3.909 5.757 7.462 1.00 0.11 O ATOM 608 CG2 THR A 38 1.894 6.117 6.189 1.00 0.11 C ATOM 0 H THR A 38 3.196 3.053 8.649 1.00 0.08 H new ATOM 0 HA THR A 38 1.524 5.481 8.775 1.00 0.08 H new ATOM 0 HB THR A 38 2.957 4.273 6.379 1.00 0.09 H new ATOM 0 HG1 THR A 38 3.847 6.725 7.319 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.488 6.463 5.343 1.00 0.11 H new ATOM 0 HG22 THR A 38 0.990 5.631 5.823 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.621 6.968 6.813 1.00 0.11 H new ATOM 616 N PRO A 39 -0.544 4.304 7.885 1.00 0.07 N ATOM 617 CA PRO A 39 -1.763 3.606 7.444 1.00 0.08 C ATOM 618 C PRO A 39 -1.834 3.495 5.934 1.00 0.07 C ATOM 619 O PRO A 39 -0.934 3.954 5.241 1.00 0.07 O ATOM 620 CB PRO A 39 -2.887 4.511 7.946 1.00 0.09 C ATOM 621 CG PRO A 39 -2.253 5.849 8.009 1.00 0.09 C ATOM 622 CD PRO A 39 -0.867 5.592 8.514 1.00 0.09 C ATOM 0 HA PRO A 39 -1.810 2.585 7.822 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.741 4.503 7.269 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.252 4.193 8.923 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.235 6.325 7.028 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.800 6.515 8.676 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.172 6.377 8.215 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.834 5.534 9.602 1.00 0.09 H new ATOM 630 N TRP A 40 -2.903 2.889 5.419 1.00 0.07 N ATOM 631 CA TRP A 40 -3.056 2.758 3.978 1.00 0.07 C ATOM 632 C TRP A 40 -3.385 4.108 3.369 1.00 0.07 C ATOM 633 O TRP A 40 -2.742 4.533 2.420 1.00 0.07 O ATOM 634 CB TRP A 40 -4.138 1.741 3.606 1.00 0.08 C ATOM 635 CG TRP A 40 -5.533 2.171 3.957 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.135 2.099 5.182 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.503 2.738 3.066 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.422 2.577 5.102 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.668 2.980 3.817 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.501 3.065 1.705 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.815 3.531 3.256 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.642 3.614 1.150 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.784 3.844 1.925 1.00 0.21 C ATOM 0 H TRP A 40 -3.662 2.488 5.970 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.110 2.393 3.578 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.088 1.549 2.534 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.923 0.798 4.109 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.669 1.722 6.080 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -8.086 2.624 5.875 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.624 2.892 1.099 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.699 3.706 3.851 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.652 3.870 0.101 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.659 4.277 1.463 1.00 0.21 H new ATOM 654 N ILE A 41 -4.373 4.788 3.946 1.00 0.08 N ATOM 655 CA ILE A 41 -4.799 6.087 3.451 1.00 0.09 C ATOM 656 C ILE A 41 -3.605 7.014 3.256 1.00 0.07 C ATOM 657 O ILE A 41 -3.639 7.923 2.426 1.00 0.08 O ATOM 658 CB ILE A 41 -5.815 6.749 4.405 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.681 7.754 3.642 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.105 7.431 5.571 1.00 0.12 C ATOM 661 CD1 ILE A 41 -8.143 7.368 3.603 1.00 0.45 C ATOM 0 H ILE A 41 -4.892 4.457 4.759 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.283 5.920 2.489 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.459 5.970 4.812 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -6.583 8.735 4.106 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -6.308 7.845 2.622 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.843 7.890 6.229 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.531 6.692 6.130 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.433 8.199 5.189 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.703 8.120 3.048 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -8.251 6.400 3.113 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.530 7.305 4.620 1.00 0.45 H new ATOM 673 N GLU A 42 -2.549 6.774 4.028 1.00 0.07 N ATOM 674 CA GLU A 42 -1.341 7.576 3.929 1.00 0.06 C ATOM 675 C GLU A 42 -0.333 6.862 3.040 1.00 0.06 C ATOM 676 O GLU A 42 0.395 7.490 2.271 1.00 0.07 O ATOM 677 CB GLU A 42 -0.751 7.832 5.315 1.00 0.07 C ATOM 678 CG GLU A 42 -1.570 8.797 6.159 1.00 0.09 C ATOM 679 CD GLU A 42 -1.629 10.188 5.562 1.00 1.13 C ATOM 680 OE1 GLU A 42 -2.542 10.448 4.750 1.00 2.15 O ATOM 681 OE2 GLU A 42 -0.762 11.019 5.906 1.00 1.02 O ATOM 0 H GLU A 42 -2.508 6.032 4.726 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.587 8.541 3.487 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.665 6.883 5.844 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.259 8.228 5.203 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -2.583 8.409 6.268 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -1.141 8.853 7.159 1.00 0.09 H new ATOM 688 N LEU A 43 -0.309 5.537 3.156 1.00 0.06 N ATOM 689 CA LEU A 43 0.574 4.700 2.355 1.00 0.07 C ATOM 690 C LEU A 43 0.312 4.962 0.884 1.00 0.08 C ATOM 691 O LEU A 43 1.192 5.383 0.136 1.00 0.10 O ATOM 692 CB LEU A 43 0.309 3.229 2.660 1.00 0.08 C ATOM 693 CG LEU A 43 1.498 2.429 3.196 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.602 2.363 2.162 1.00 0.11 C ATOM 695 CD2 LEU A 43 2.023 3.043 4.478 1.00 0.09 C ATOM 0 H LEU A 43 -0.899 5.017 3.805 1.00 0.06 H new ATOM 0 HA LEU A 43 1.611 4.936 2.594 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.501 3.170 3.387 1.00 0.08 H new ATOM 0 HB3 LEU A 43 -0.046 2.748 1.748 1.00 0.08 H new ATOM 0 HG LEU A 43 1.156 1.416 3.410 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.440 1.790 2.560 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.227 1.879 1.260 1.00 0.11 H new ATOM 0 HD13 LEU A 43 2.935 3.372 1.920 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.868 2.459 4.842 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.345 4.066 4.286 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.234 3.046 5.230 1.00 0.09 H new ATOM 707 N ILE A 44 -0.924 4.688 0.489 1.00 0.09 N ATOM 708 CA ILE A 44 -1.383 4.899 -0.871 1.00 0.10 C ATOM 709 C ILE A 44 -1.135 6.334 -1.327 1.00 0.10 C ATOM 710 O ILE A 44 -1.194 6.636 -2.518 1.00 0.15 O ATOM 711 CB ILE A 44 -2.887 4.593 -0.973 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.695 5.598 -0.143 1.00 0.14 C ATOM 713 CG2 ILE A 44 -3.151 3.175 -0.492 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.170 5.649 -0.484 1.00 0.20 C ATOM 0 H ILE A 44 -1.639 4.310 1.111 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.820 4.226 -1.517 1.00 0.10 H new ATOM 0 HB ILE A 44 -3.199 4.681 -2.014 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.587 5.349 0.913 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.268 6.591 -0.281 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -4.217 2.959 -0.564 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.595 2.471 -1.111 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.831 3.077 0.545 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.665 6.385 0.150 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.292 5.930 -1.530 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.616 4.668 -0.317 1.00 0.20 H new ATOM 726 N TYR A 45 -0.862 7.217 -0.373 1.00 0.08 N ATOM 727 CA TYR A 45 -0.616 8.621 -0.685 1.00 0.08 C ATOM 728 C TYR A 45 0.877 8.947 -0.669 1.00 0.08 C ATOM 729 O TYR A 45 1.290 10.000 -1.157 1.00 0.10 O ATOM 730 CB TYR A 45 -1.367 9.523 0.299 1.00 0.10 C ATOM 731 CG TYR A 45 -2.812 9.814 -0.084 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.538 8.963 -0.917 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.453 10.946 0.408 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.857 9.236 -1.245 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.766 11.224 0.081 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.463 10.368 -0.744 1.00 0.16 C ATOM 737 OH TYR A 45 -6.772 10.643 -1.067 1.00 0.19 O ATOM 0 H TYR A 45 -0.805 6.987 0.619 1.00 0.08 H new ATOM 0 HA TYR A 45 -0.986 8.807 -1.693 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.353 9.055 1.284 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.831 10.468 0.387 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -3.065 8.077 -1.313 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -2.914 11.620 1.058 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.406 8.566 -1.889 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.245 12.110 0.471 1.00 0.18 H new ATOM 0 HH TYR A 45 -7.048 11.476 -0.632 1.00 0.19 H new ATOM 747 N LEU A 46 1.689 8.049 -0.106 1.00 0.08 N ATOM 748 CA LEU A 46 3.134 8.258 -0.054 1.00 0.09 C ATOM 749 C LEU A 46 3.716 8.313 -1.456 1.00 0.09 C ATOM 750 O LEU A 46 2.993 8.421 -2.445 1.00 0.11 O ATOM 751 CB LEU A 46 3.840 7.130 0.706 1.00 0.10 C ATOM 752 CG LEU A 46 3.353 6.850 2.128 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.257 5.817 2.785 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.319 8.126 2.961 1.00 0.12 C ATOM 0 H LEU A 46 1.371 7.177 0.317 1.00 0.08 H new ATOM 0 HA LEU A 46 3.297 9.203 0.465 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.739 6.213 0.125 1.00 0.10 H new ATOM 0 HB3 LEU A 46 4.904 7.364 0.751 1.00 0.10 H new ATOM 0 HG LEU A 46 2.337 6.460 2.073 1.00 0.11 H new ATOM 0 HD11 LEU A 46 3.907 5.620 3.798 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.234 4.893 2.207 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.278 6.197 2.821 1.00 0.14 H new ATOM 0 HD21 LEU A 46 2.969 7.895 3.967 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.321 8.552 3.015 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.643 8.845 2.498 1.00 0.12 H new ATOM 766 N ASP A 47 5.037 8.228 -1.524 1.00 0.09 N ATOM 767 CA ASP A 47 5.740 8.248 -2.797 1.00 0.10 C ATOM 768 C ASP A 47 7.052 7.493 -2.673 1.00 0.10 C ATOM 769 O ASP A 47 7.453 7.127 -1.571 1.00 0.16 O ATOM 770 CB ASP A 47 6.009 9.688 -3.243 1.00 0.11 C ATOM 771 CG ASP A 47 4.738 10.501 -3.391 1.00 0.73 C ATOM 772 OD1 ASP A 47 4.113 10.436 -4.470 1.00 1.31 O ATOM 773 OD2 ASP A 47 4.366 11.203 -2.426 1.00 0.96 O ATOM 0 H ASP A 47 5.645 8.144 -0.709 1.00 0.09 H new ATOM 0 HA ASP A 47 5.114 7.764 -3.547 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.663 10.172 -2.518 1.00 0.11 H new ATOM 0 HB3 ASP A 47 6.541 9.676 -4.194 1.00 0.11 H new ATOM 778 N ASP A 48 7.708 7.253 -3.799 1.00 0.12 N ATOM 779 CA ASP A 48 8.977 6.561 -3.803 1.00 0.14 C ATOM 780 C ASP A 48 9.893 7.173 -2.755 1.00 0.14 C ATOM 781 O ASP A 48 10.480 6.470 -1.933 1.00 0.21 O ATOM 782 CB ASP A 48 9.607 6.672 -5.186 1.00 0.17 C ATOM 783 CG ASP A 48 9.569 8.087 -5.729 1.00 1.06 C ATOM 784 OD1 ASP A 48 8.546 8.462 -6.338 1.00 1.73 O ATOM 785 OD2 ASP A 48 10.564 8.819 -5.545 1.00 1.65 O ATOM 0 H ASP A 48 7.376 7.531 -4.723 1.00 0.12 H new ATOM 0 HA ASP A 48 8.825 5.508 -3.565 1.00 0.14 H new ATOM 0 HB2 ASP A 48 10.642 6.332 -5.139 1.00 0.17 H new ATOM 0 HB3 ASP A 48 9.084 6.008 -5.874 1.00 0.17 H new ATOM 790 N GLU A 49 9.985 8.496 -2.782 1.00 0.14 N ATOM 791 CA GLU A 49 10.811 9.229 -1.828 1.00 0.16 C ATOM 792 C GLU A 49 10.458 8.844 -0.396 1.00 0.13 C ATOM 793 O GLU A 49 11.304 8.333 0.334 1.00 0.19 O ATOM 794 CB GLU A 49 10.640 10.738 -2.005 1.00 0.23 C ATOM 795 CG GLU A 49 11.448 11.564 -1.010 1.00 0.37 C ATOM 796 CD GLU A 49 11.195 13.052 -1.151 1.00 0.46 C ATOM 797 OE1 GLU A 49 10.248 13.557 -0.512 1.00 0.52 O ATOM 798 OE2 GLU A 49 11.943 13.714 -1.900 1.00 0.51 O ATOM 0 H GLU A 49 9.497 9.086 -3.456 1.00 0.14 H new ATOM 0 HA GLU A 49 11.850 8.964 -2.022 1.00 0.16 H new ATOM 0 HB2 GLU A 49 10.936 11.013 -3.017 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.585 10.990 -1.902 1.00 0.23 H new ATOM 0 HG2 GLU A 49 11.199 11.251 0.004 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.510 11.364 -1.154 1.00 0.37 H new ATOM 805 N THR A 50 9.204 9.081 -0.005 1.00 0.11 N ATOM 806 CA THR A 50 8.757 8.768 1.344 1.00 0.10 C ATOM 807 C THR A 50 9.134 7.348 1.718 1.00 0.09 C ATOM 808 O THR A 50 9.740 7.118 2.757 1.00 0.13 O ATOM 809 CB THR A 50 7.235 8.934 1.497 1.00 0.12 C ATOM 810 OG1 THR A 50 6.820 10.196 0.959 1.00 0.19 O ATOM 811 CG2 THR A 50 6.833 8.847 2.962 1.00 0.14 C ATOM 0 H THR A 50 8.486 9.487 -0.605 1.00 0.11 H new ATOM 0 HA THR A 50 9.254 9.472 2.011 1.00 0.10 H new ATOM 0 HB THR A 50 6.745 8.129 0.948 1.00 0.12 H new ATOM 0 HG1 THR A 50 5.850 10.291 1.060 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.753 8.967 3.051 1.00 0.14 H new ATOM 0 HG22 THR A 50 7.125 7.876 3.362 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.333 9.636 3.524 1.00 0.14 H new ATOM 819 N LEU A 51 8.799 6.408 0.841 1.00 0.09 N ATOM 820 CA LEU A 51 9.095 5.000 1.065 1.00 0.11 C ATOM 821 C LEU A 51 10.556 4.821 1.456 1.00 0.11 C ATOM 822 O LEU A 51 10.880 4.003 2.311 1.00 0.14 O ATOM 823 CB LEU A 51 8.771 4.207 -0.197 1.00 0.12 C ATOM 824 CG LEU A 51 7.279 3.990 -0.443 1.00 0.16 C ATOM 825 CD1 LEU A 51 7.040 3.461 -1.844 1.00 0.89 C ATOM 826 CD2 LEU A 51 6.709 3.034 0.595 1.00 0.74 C ATOM 0 H LEU A 51 8.318 6.599 -0.038 1.00 0.09 H new ATOM 0 HA LEU A 51 8.480 4.627 1.884 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.196 4.726 -1.056 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.261 3.235 -0.136 1.00 0.12 H new ATOM 0 HG LEU A 51 6.769 4.949 -0.350 1.00 0.16 H new ATOM 0 HD11 LEU A 51 5.971 3.313 -2.000 1.00 0.89 H new ATOM 0 HD12 LEU A 51 7.417 4.178 -2.573 1.00 0.89 H new ATOM 0 HD13 LEU A 51 7.560 2.511 -1.968 1.00 0.89 H new ATOM 0 HD21 LEU A 51 5.645 2.887 0.409 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.224 2.076 0.529 1.00 0.74 H new ATOM 0 HD23 LEU A 51 6.849 3.453 1.591 1.00 0.74 H new ATOM 838 N GLU A 52 11.430 5.598 0.832 1.00 0.10 N ATOM 839 CA GLU A 52 12.851 5.549 1.147 1.00 0.13 C ATOM 840 C GLU A 52 13.062 6.091 2.547 1.00 0.13 C ATOM 841 O GLU A 52 13.853 5.567 3.332 1.00 0.16 O ATOM 842 CB GLU A 52 13.638 6.395 0.150 1.00 0.16 C ATOM 843 CG GLU A 52 15.114 6.035 0.072 1.00 0.33 C ATOM 844 CD GLU A 52 15.881 6.918 -0.895 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.181 8.074 -0.532 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.184 6.449 -2.012 1.00 0.52 O ATOM 0 H GLU A 52 11.181 6.269 0.105 1.00 0.10 H new ATOM 0 HA GLU A 52 13.201 4.518 1.088 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.193 6.283 -0.839 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.544 7.446 0.425 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.557 6.119 1.064 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.214 4.994 -0.235 1.00 0.33 H new ATOM 853 N LYS A 53 12.331 7.155 2.838 1.00 0.13 N ATOM 854 CA LYS A 53 12.389 7.813 4.137 1.00 0.16 C ATOM 855 C LYS A 53 11.950 6.862 5.252 1.00 0.18 C ATOM 856 O LYS A 53 12.406 6.976 6.390 1.00 0.25 O ATOM 857 CB LYS A 53 11.516 9.066 4.116 1.00 0.17 C ATOM 858 CG LYS A 53 11.765 9.929 2.891 1.00 0.42 C ATOM 859 CD LYS A 53 13.025 10.763 3.039 1.00 0.60 C ATOM 860 CE LYS A 53 12.799 11.906 4.005 1.00 1.54 C ATOM 861 NZ LYS A 53 12.563 13.195 3.299 1.00 2.19 N ATOM 0 H LYS A 53 11.681 7.588 2.182 1.00 0.13 H new ATOM 0 HA LYS A 53 13.420 8.103 4.339 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.466 8.774 4.143 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.707 9.653 5.015 1.00 0.17 H new ATOM 0 HG2 LYS A 53 11.850 9.294 2.009 1.00 0.42 H new ATOM 0 HG3 LYS A 53 10.911 10.586 2.729 1.00 0.42 H new ATOM 0 HD2 LYS A 53 13.843 10.136 3.395 1.00 0.60 H new ATOM 0 HD3 LYS A 53 13.324 11.155 2.067 1.00 0.60 H new ATOM 0 HE2 LYS A 53 11.943 11.679 4.641 1.00 1.54 H new ATOM 0 HE3 LYS A 53 13.665 12.004 4.659 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 12.413 13.951 3.997 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 13.390 13.425 2.712 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 11.721 13.110 2.694 1.00 2.19 H new ATOM 875 N LYS A 54 11.059 5.926 4.918 1.00 0.13 N ATOM 876 CA LYS A 54 10.579 4.940 5.887 1.00 0.16 C ATOM 877 C LYS A 54 11.632 3.859 6.071 1.00 0.17 C ATOM 878 O LYS A 54 12.109 3.607 7.177 1.00 0.21 O ATOM 879 CB LYS A 54 9.276 4.282 5.406 1.00 0.16 C ATOM 880 CG LYS A 54 8.536 5.071 4.337 1.00 0.25 C ATOM 881 CD LYS A 54 7.946 6.364 4.856 1.00 0.39 C ATOM 882 CE LYS A 54 6.520 6.166 5.337 1.00 0.30 C ATOM 883 NZ LYS A 54 5.665 7.360 5.102 1.00 1.20 N ATOM 0 H LYS A 54 10.656 5.831 3.986 1.00 0.13 H new ATOM 0 HA LYS A 54 10.388 5.454 6.829 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.506 3.290 5.016 1.00 0.16 H new ATOM 0 HB3 LYS A 54 8.615 4.143 6.262 1.00 0.16 H new ATOM 0 HG2 LYS A 54 9.221 5.294 3.519 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.738 4.454 3.925 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.559 6.743 5.674 1.00 0.39 H new ATOM 0 HD3 LYS A 54 7.965 7.117 4.068 1.00 0.39 H new ATOM 0 HE2 LYS A 54 6.085 5.306 4.827 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.529 5.934 6.402 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 4.771 7.255 5.623 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 6.160 8.212 5.433 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 5.465 7.449 4.085 1.00 1.20 H new ATOM 897 N GLY A 55 11.980 3.229 4.956 1.00 0.19 N ATOM 898 CA GLY A 55 12.968 2.170 4.952 1.00 0.23 C ATOM 899 C GLY A 55 13.070 1.510 3.591 1.00 0.25 C ATOM 900 O GLY A 55 14.047 0.821 3.296 1.00 0.38 O ATOM 0 H GLY A 55 11.586 3.439 4.039 1.00 0.19 H new ATOM 0 HA2 GLY A 55 13.939 2.576 5.234 1.00 0.23 H new ATOM 0 HA3 GLY A 55 12.705 1.423 5.701 1.00 0.23 H new ATOM 904 N VAL A 56 12.047 1.723 2.766 1.00 0.17 N ATOM 905 CA VAL A 56 12.012 1.177 1.416 1.00 0.21 C ATOM 906 C VAL A 56 13.037 1.898 0.547 1.00 0.40 C ATOM 907 O VAL A 56 12.701 2.812 -0.206 1.00 0.89 O ATOM 908 CB VAL A 56 10.610 1.332 0.791 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.432 0.392 -0.389 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.522 1.099 1.833 1.00 0.17 C ATOM 0 H VAL A 56 11.226 2.275 3.014 1.00 0.17 H new ATOM 0 HA VAL A 56 12.250 0.115 1.470 1.00 0.21 H new ATOM 0 HB VAL A 56 10.519 2.355 0.425 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.435 0.522 -0.811 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.180 0.617 -1.149 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.553 -0.638 -0.055 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.543 1.214 1.368 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.616 0.091 2.238 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.629 1.825 2.639 1.00 0.17 H new ATOM 920 N LEU A 57 14.286 1.469 0.659 1.00 0.21 N ATOM 921 CA LEU A 57 15.390 2.082 -0.075 1.00 0.26 C ATOM 922 C LEU A 57 15.486 1.561 -1.506 1.00 0.36 C ATOM 923 O LEU A 57 15.993 2.250 -2.391 1.00 0.83 O ATOM 924 CB LEU A 57 16.700 1.816 0.673 1.00 0.34 C ATOM 925 CG LEU A 57 17.027 2.779 1.828 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.767 3.409 2.406 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.788 2.048 2.922 1.00 0.55 C ATOM 0 H LEU A 57 14.564 0.691 1.257 1.00 0.21 H new ATOM 0 HA LEU A 57 15.204 3.154 -0.136 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.668 0.802 1.071 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.519 1.851 -0.046 1.00 0.34 H new ATOM 0 HG LEU A 57 17.649 3.578 1.426 1.00 0.37 H new ATOM 0 HD11 LEU A 57 16.037 4.083 3.219 1.00 0.24 H new ATOM 0 HD12 LEU A 57 15.250 3.969 1.627 1.00 0.24 H new ATOM 0 HD13 LEU A 57 15.110 2.626 2.786 1.00 0.24 H new ATOM 0 HD21 LEU A 57 18.013 2.740 3.733 1.00 0.55 H new ATOM 0 HD22 LEU A 57 17.179 1.228 3.303 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.718 1.651 2.515 1.00 0.55 H new ATOM 939 N ALA A 58 15.000 0.346 -1.726 1.00 0.21 N ATOM 940 CA ALA A 58 15.040 -0.266 -3.048 1.00 0.17 C ATOM 941 C ALA A 58 14.271 0.545 -4.068 1.00 0.13 C ATOM 942 O ALA A 58 13.046 0.627 -4.010 1.00 0.12 O ATOM 943 CB ALA A 58 14.474 -1.671 -2.992 1.00 0.18 C ATOM 0 H ALA A 58 14.573 -0.236 -1.005 1.00 0.21 H new ATOM 0 HA ALA A 58 16.084 -0.299 -3.358 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.509 -2.117 -3.986 1.00 0.18 H new ATOM 0 HB2 ALA A 58 15.064 -2.274 -2.302 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.440 -1.633 -2.648 1.00 0.18 H new ATOM 949 N LEU A 59 14.998 1.149 -5.002 1.00 0.14 N ATOM 950 CA LEU A 59 14.369 1.915 -6.060 1.00 0.13 C ATOM 951 C LEU A 59 13.320 1.048 -6.727 1.00 0.12 C ATOM 952 O LEU A 59 12.323 1.539 -7.254 1.00 0.14 O ATOM 953 CB LEU A 59 15.410 2.368 -7.088 1.00 0.15 C ATOM 954 CG LEU A 59 15.957 3.780 -6.880 1.00 0.19 C ATOM 955 CD1 LEU A 59 14.841 4.792 -7.031 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.615 3.907 -5.515 1.00 0.27 C ATOM 0 H LEU A 59 16.017 1.121 -5.044 1.00 0.14 H new ATOM 0 HA LEU A 59 13.903 2.805 -5.638 1.00 0.13 H new ATOM 0 HB2 LEU A 59 16.244 1.666 -7.071 1.00 0.15 H new ATOM 0 HB3 LEU A 59 14.965 2.310 -8.082 1.00 0.15 H new ATOM 0 HG LEU A 59 16.715 3.977 -7.638 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.238 5.796 -6.882 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.414 4.716 -8.031 1.00 0.24 H new ATOM 0 HD13 LEU A 59 14.067 4.594 -6.290 1.00 0.24 H new ATOM 0 HD21 LEU A 59 16.997 4.920 -5.388 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.882 3.696 -4.737 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.438 3.197 -5.440 1.00 0.27 H new ATOM 968 N GLY A 60 13.571 -0.256 -6.698 1.00 0.12 N ATOM 969 CA GLY A 60 12.651 -1.203 -7.275 1.00 0.12 C ATOM 970 C GLY A 60 11.423 -1.424 -6.415 1.00 0.11 C ATOM 971 O GLY A 60 10.304 -1.423 -6.914 1.00 0.14 O ATOM 0 H GLY A 60 14.404 -0.671 -6.280 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.342 -0.850 -8.259 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.161 -2.155 -7.424 1.00 0.12 H new ATOM 975 N ALA A 61 11.637 -1.601 -5.113 1.00 0.10 N ATOM 976 CA ALA A 61 10.546 -1.855 -4.173 1.00 0.10 C ATOM 977 C ALA A 61 9.642 -0.641 -3.962 1.00 0.11 C ATOM 978 O ALA A 61 8.419 -0.758 -4.036 1.00 0.16 O ATOM 979 CB ALA A 61 11.104 -2.324 -2.839 1.00 0.13 C ATOM 0 H ALA A 61 12.561 -1.573 -4.683 1.00 0.10 H new ATOM 0 HA ALA A 61 9.928 -2.637 -4.615 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.283 -2.510 -2.146 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.671 -3.243 -2.985 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.758 -1.555 -2.428 1.00 0.13 H new ATOM 985 N ARG A 62 10.234 0.523 -3.700 1.00 0.14 N ATOM 986 CA ARG A 62 9.448 1.723 -3.447 1.00 0.16 C ATOM 987 C ARG A 62 8.711 2.200 -4.684 1.00 0.11 C ATOM 988 O ARG A 62 7.484 2.301 -4.678 1.00 0.11 O ATOM 989 CB ARG A 62 10.320 2.839 -2.869 1.00 0.23 C ATOM 990 CG ARG A 62 11.432 3.343 -3.776 1.00 0.32 C ATOM 991 CD ARG A 62 12.383 4.243 -2.999 1.00 0.23 C ATOM 992 NE ARG A 62 13.414 4.841 -3.842 1.00 0.21 N ATOM 993 CZ ARG A 62 13.774 6.122 -3.766 1.00 0.46 C ATOM 994 NH1 ARG A 62 13.150 6.941 -2.934 1.00 0.81 N ATOM 995 NH2 ARG A 62 14.758 6.586 -4.524 1.00 0.48 N ATOM 0 H ARG A 62 11.244 0.658 -3.658 1.00 0.14 H new ATOM 0 HA ARG A 62 8.693 1.457 -2.707 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.677 3.681 -2.611 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.767 2.482 -1.941 1.00 0.23 H new ATOM 0 HG2 ARG A 62 11.980 2.499 -4.194 1.00 0.32 H new ATOM 0 HG3 ARG A 62 11.005 3.892 -4.615 1.00 0.32 H new ATOM 0 HD2 ARG A 62 11.812 5.035 -2.515 1.00 0.23 H new ATOM 0 HD3 ARG A 62 12.859 3.664 -2.208 1.00 0.23 H new ATOM 0 HE ARG A 62 13.884 4.247 -4.525 1.00 0.21 H new ATOM 0 HH11 ARG A 62 12.391 6.592 -2.348 1.00 0.81 H new ATOM 0 HH12 ARG A 62 13.428 7.921 -2.878 1.00 0.81 H new ATOM 0 HH21 ARG A 62 15.243 5.962 -5.169 1.00 0.48 H new ATOM 0 HH22 ARG A 62 15.030 7.567 -4.462 1.00 0.48 H new ATOM 1009 N ARG A 63 9.453 2.505 -5.735 1.00 0.12 N ATOM 1010 CA ARG A 63 8.844 2.961 -6.975 1.00 0.13 C ATOM 1011 C ARG A 63 7.732 1.999 -7.394 1.00 0.12 C ATOM 1012 O ARG A 63 6.820 2.369 -8.133 1.00 0.14 O ATOM 1013 CB ARG A 63 9.886 3.069 -8.087 1.00 0.16 C ATOM 1014 CG ARG A 63 10.896 4.185 -7.872 1.00 0.79 C ATOM 1015 CD ARG A 63 11.923 4.228 -8.991 1.00 0.75 C ATOM 1016 NE ARG A 63 11.298 4.399 -10.301 1.00 1.33 N ATOM 1017 CZ ARG A 63 11.847 5.090 -11.296 1.00 1.56 C ATOM 1018 NH1 ARG A 63 13.020 5.685 -11.126 1.00 1.33 N ATOM 1019 NH2 ARG A 63 11.220 5.190 -12.460 1.00 2.47 N ATOM 0 H ARG A 63 10.471 2.446 -5.756 1.00 0.12 H new ATOM 0 HA ARG A 63 8.420 3.951 -6.805 1.00 0.13 H new ATOM 0 HB2 ARG A 63 10.417 2.121 -8.168 1.00 0.16 H new ATOM 0 HB3 ARG A 63 9.376 3.231 -9.037 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.377 5.142 -7.816 1.00 0.79 H new ATOM 0 HG3 ARG A 63 11.402 4.041 -6.917 1.00 0.79 H new ATOM 0 HD2 ARG A 63 12.620 5.047 -8.812 1.00 0.75 H new ATOM 0 HD3 ARG A 63 12.505 3.307 -8.984 1.00 0.75 H new ATOM 0 HE ARG A 63 10.390 3.964 -10.461 1.00 1.33 H new ATOM 0 HH11 ARG A 63 13.503 5.613 -10.231 1.00 1.33 H new ATOM 0 HH12 ARG A 63 13.439 6.214 -11.891 1.00 1.33 H new ATOM 0 HH21 ARG A 63 10.316 4.737 -12.593 1.00 2.47 H new ATOM 0 HH22 ARG A 63 11.642 5.720 -13.223 1.00 2.47 H new ATOM 1033 N LYS A 64 7.822 0.756 -6.911 1.00 0.10 N ATOM 1034 CA LYS A 64 6.823 -0.263 -7.213 1.00 0.13 C ATOM 1035 C LYS A 64 5.572 -0.057 -6.374 1.00 0.11 C ATOM 1036 O LYS A 64 4.454 -0.189 -6.871 1.00 0.12 O ATOM 1037 CB LYS A 64 7.391 -1.654 -6.951 1.00 0.18 C ATOM 1038 CG LYS A 64 7.902 -2.349 -8.205 1.00 0.76 C ATOM 1039 CD LYS A 64 8.514 -3.705 -7.890 1.00 1.33 C ATOM 1040 CE LYS A 64 7.463 -4.708 -7.441 1.00 1.80 C ATOM 1041 NZ LYS A 64 8.060 -6.036 -7.133 1.00 2.52 N ATOM 0 H LYS A 64 8.580 0.435 -6.308 1.00 0.10 H new ATOM 0 HA LYS A 64 6.558 -0.175 -8.267 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.206 -1.575 -6.232 1.00 0.18 H new ATOM 0 HB3 LYS A 64 6.619 -2.272 -6.492 1.00 0.18 H new ATOM 0 HG2 LYS A 64 7.081 -2.476 -8.910 1.00 0.76 H new ATOM 0 HG3 LYS A 64 8.646 -1.719 -8.692 1.00 0.76 H new ATOM 0 HD2 LYS A 64 9.027 -4.086 -8.773 1.00 1.33 H new ATOM 0 HD3 LYS A 64 9.266 -3.592 -7.109 1.00 1.33 H new ATOM 0 HE2 LYS A 64 6.951 -4.326 -6.558 1.00 1.80 H new ATOM 0 HE3 LYS A 64 6.711 -4.820 -8.222 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 7.311 -6.691 -6.831 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 8.527 -6.412 -7.983 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 8.759 -5.934 -6.370 1.00 2.52 H new ATOM 1055 N LEU A 65 5.767 0.246 -5.095 1.00 0.11 N ATOM 1056 CA LEU A 65 4.653 0.481 -4.190 1.00 0.11 C ATOM 1057 C LEU A 65 3.748 1.577 -4.729 1.00 0.08 C ATOM 1058 O LEU A 65 2.548 1.593 -4.463 1.00 0.09 O ATOM 1059 CB LEU A 65 5.166 0.864 -2.807 1.00 0.13 C ATOM 1060 CG LEU A 65 5.285 -0.298 -1.829 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.595 -0.218 -1.069 1.00 0.22 C ATOM 1062 CD2 LEU A 65 4.106 -0.306 -0.869 1.00 0.23 C ATOM 0 H LEU A 65 6.687 0.334 -4.664 1.00 0.11 H new ATOM 0 HA LEU A 65 4.076 -0.441 -4.111 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.144 1.333 -2.914 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.498 1.613 -2.381 1.00 0.13 H new ATOM 0 HG LEU A 65 5.273 -1.230 -2.393 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.664 -1.055 -0.375 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.427 -0.260 -1.772 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.637 0.719 -0.513 1.00 0.22 H new ATOM 0 HD21 LEU A 65 4.206 -1.142 -0.177 1.00 0.23 H new ATOM 0 HD22 LEU A 65 4.087 0.629 -0.309 1.00 0.23 H new ATOM 0 HD23 LEU A 65 3.179 -0.410 -1.432 1.00 0.23 H new ATOM 1074 N LEU A 66 4.339 2.491 -5.491 1.00 0.08 N ATOM 1075 CA LEU A 66 3.593 3.593 -6.080 1.00 0.09 C ATOM 1076 C LEU A 66 2.490 3.067 -6.986 1.00 0.11 C ATOM 1077 O LEU A 66 1.493 3.748 -7.226 1.00 0.14 O ATOM 1078 CB LEU A 66 4.531 4.511 -6.863 1.00 0.11 C ATOM 1079 CG LEU A 66 5.223 5.585 -6.023 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.613 5.875 -6.565 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.386 6.854 -5.993 1.00 0.14 C ATOM 0 H LEU A 66 5.334 2.489 -5.715 1.00 0.08 H new ATOM 0 HA LEU A 66 3.134 4.168 -5.276 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.293 3.901 -7.347 1.00 0.11 H new ATOM 0 HB3 LEU A 66 3.962 4.999 -7.655 1.00 0.11 H new ATOM 0 HG LEU A 66 5.325 5.213 -5.003 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.089 6.642 -5.954 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.212 4.965 -6.537 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.536 6.227 -7.594 1.00 0.15 H new ATOM 0 HD21 LEU A 66 4.892 7.609 -5.391 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.255 7.227 -7.009 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.411 6.636 -5.558 1.00 0.14 H new ATOM 1093 N LYS A 67 2.673 1.849 -7.486 1.00 0.12 N ATOM 1094 CA LYS A 67 1.689 1.228 -8.348 1.00 0.16 C ATOM 1095 C LYS A 67 0.552 0.695 -7.490 1.00 0.14 C ATOM 1096 O LYS A 67 -0.617 0.751 -7.871 1.00 0.16 O ATOM 1097 CB LYS A 67 2.335 0.103 -9.159 1.00 0.22 C ATOM 1098 CG LYS A 67 1.693 -0.123 -10.521 1.00 0.84 C ATOM 1099 CD LYS A 67 0.385 -0.890 -10.415 1.00 1.26 C ATOM 1100 CE LYS A 67 0.624 -2.384 -10.292 1.00 1.56 C ATOM 1101 NZ LYS A 67 1.217 -2.958 -11.531 1.00 2.20 N ATOM 0 H LYS A 67 3.497 1.276 -7.305 1.00 0.12 H new ATOM 0 HA LYS A 67 1.294 1.961 -9.051 1.00 0.16 H new ATOM 0 HB2 LYS A 67 3.392 0.330 -9.300 1.00 0.22 H new ATOM 0 HB3 LYS A 67 2.282 -0.822 -8.585 1.00 0.22 H new ATOM 0 HG2 LYS A 67 1.511 0.839 -11.000 1.00 0.84 H new ATOM 0 HG3 LYS A 67 2.384 -0.672 -11.161 1.00 0.84 H new ATOM 0 HD2 LYS A 67 -0.175 -0.538 -9.549 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -0.228 -0.690 -11.294 1.00 1.26 H new ATOM 0 HE2 LYS A 67 1.288 -2.577 -9.449 1.00 1.56 H new ATOM 0 HE3 LYS A 67 -0.319 -2.885 -10.076 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 1.041 -3.983 -11.558 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 0.783 -2.510 -12.363 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 2.242 -2.783 -11.539 1.00 2.20 H new ATOM 1115 N ALA A 68 0.918 0.187 -6.317 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.050 -0.346 -5.370 1.00 0.14 C ATOM 1117 C ALA A 68 -0.832 0.789 -4.718 1.00 0.13 C ATOM 1118 O ALA A 68 -1.973 0.613 -4.301 1.00 0.23 O ATOM 1119 CB ALA A 68 0.651 -1.188 -4.311 1.00 0.17 C ATOM 0 H ALA A 68 1.886 0.134 -6.000 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.750 -0.984 -5.909 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.087 -1.579 -3.610 1.00 0.17 H new ATOM 0 HB2 ALA A 68 1.171 -2.017 -4.791 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.371 -0.571 -3.773 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.202 1.958 -4.644 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.817 3.135 -4.045 1.00 0.11 C ATOM 1127 C PHE A 69 -2.008 3.623 -4.865 1.00 0.10 C ATOM 1128 O PHE A 69 -3.048 3.984 -4.314 1.00 0.12 O ATOM 1129 CB PHE A 69 0.209 4.269 -3.950 1.00 0.11 C ATOM 1130 CG PHE A 69 1.317 4.061 -2.947 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.285 3.019 -2.030 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.398 4.931 -2.920 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.305 2.854 -1.112 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.419 4.768 -2.005 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.373 3.728 -1.100 1.00 0.12 C ATOM 0 H PHE A 69 0.743 2.114 -4.995 1.00 0.11 H new ATOM 0 HA PHE A 69 -1.166 2.853 -3.052 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.656 4.415 -4.934 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.316 5.191 -3.699 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.454 2.330 -2.034 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.441 5.748 -3.625 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.266 2.040 -0.403 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.253 5.454 -1.998 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.171 3.598 -0.384 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.848 3.629 -6.186 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.900 4.111 -7.063 1.00 0.13 C ATOM 1147 C GLY A 70 -4.107 3.203 -7.131 1.00 0.13 C ATOM 1148 O GLY A 70 -5.241 3.671 -7.038 1.00 0.13 O ATOM 0 H GLY A 70 -1.007 3.308 -6.665 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.218 5.097 -6.724 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.494 4.235 -8.067 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.874 1.909 -7.299 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.968 0.953 -7.378 1.00 0.15 C ATOM 1154 C ILE A 71 -5.875 1.074 -6.161 1.00 0.13 C ATOM 1155 O ILE A 71 -7.094 0.933 -6.264 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.441 -0.486 -7.488 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.462 -0.594 -8.655 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.594 -1.462 -7.668 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.434 -1.685 -8.481 1.00 0.25 C ATOM 0 H ILE A 71 -2.944 1.499 -7.383 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.541 1.183 -8.276 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.918 -0.741 -6.566 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -4.022 -0.776 -9.572 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -2.950 0.360 -8.778 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -5.203 -2.477 -7.744 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -6.265 -1.395 -6.811 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -6.141 -1.215 -8.578 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.773 -1.703 -9.347 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.849 -1.493 -7.582 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -2.937 -2.647 -8.388 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.271 1.338 -5.007 1.00 0.11 N ATOM 1172 CA VAL A 72 -6.028 1.492 -3.770 1.00 0.11 C ATOM 1173 C VAL A 72 -6.803 2.799 -3.790 1.00 0.12 C ATOM 1174 O VAL A 72 -7.989 2.838 -3.468 1.00 0.15 O ATOM 1175 CB VAL A 72 -5.115 1.476 -2.530 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.940 1.569 -1.252 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.239 0.233 -2.522 1.00 0.12 C ATOM 0 H VAL A 72 -4.263 1.449 -4.903 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.712 0.646 -3.706 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.463 2.348 -2.575 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.275 1.556 -0.388 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.513 2.496 -1.255 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.623 0.721 -1.197 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.602 0.242 -1.637 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.869 -0.656 -2.506 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.617 0.221 -3.417 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.110 3.869 -4.170 1.00 0.13 N ATOM 1188 CA ILE A 73 -6.698 5.199 -4.239 1.00 0.16 C ATOM 1189 C ILE A 73 -7.951 5.215 -5.112 1.00 0.19 C ATOM 1190 O ILE A 73 -8.931 5.886 -4.800 1.00 0.28 O ATOM 1191 CB ILE A 73 -5.674 6.219 -4.788 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -4.671 6.601 -3.701 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.388 7.450 -5.318 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.528 7.460 -4.196 1.00 0.16 C ATOM 0 H ILE A 73 -5.126 3.836 -4.438 1.00 0.13 H new ATOM 0 HA ILE A 73 -6.982 5.480 -3.225 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.128 5.759 -5.612 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.195 7.133 -2.907 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.264 5.691 -3.260 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -5.654 8.159 -5.701 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.066 7.160 -6.121 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -6.957 7.916 -4.513 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -2.859 7.689 -3.366 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -2.977 6.923 -4.968 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -3.923 8.388 -4.610 1.00 0.16 H new ATOM 1206 N ASP A 74 -7.898 4.482 -6.212 1.00 0.18 N ATOM 1207 CA ASP A 74 -9.019 4.395 -7.148 1.00 0.21 C ATOM 1208 C ASP A 74 -10.234 3.746 -6.493 1.00 0.19 C ATOM 1209 O ASP A 74 -11.294 4.362 -6.412 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.611 3.609 -8.395 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.746 3.474 -9.390 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -9.908 4.381 -10.233 1.00 0.61 O ATOM 1213 OD2 ASP A 74 -10.473 2.460 -9.327 1.00 0.55 O ATOM 0 H ASP A 74 -7.084 3.931 -6.485 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.291 5.409 -7.441 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.768 4.106 -8.875 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.270 2.617 -8.100 1.00 0.26 H new ATOM 1218 N TYR A 75 -10.090 2.496 -6.045 1.00 0.20 N ATOM 1219 CA TYR A 75 -11.192 1.809 -5.376 1.00 0.25 C ATOM 1220 C TYR A 75 -11.647 2.651 -4.200 1.00 0.27 C ATOM 1221 O TYR A 75 -12.818 2.657 -3.830 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.776 0.400 -4.929 1.00 0.31 C ATOM 1223 CG TYR A 75 -11.067 -0.679 -5.962 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.409 -0.349 -7.266 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -11.003 -2.027 -5.630 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -11.675 -1.320 -8.209 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -11.268 -3.009 -6.567 1.00 1.41 C ATOM 1228 CZ TYR A 75 -11.603 -2.649 -7.855 1.00 0.99 C ATOM 1229 OH TYR A 75 -11.868 -3.623 -8.790 1.00 1.24 O ATOM 0 H TYR A 75 -9.234 1.948 -6.132 1.00 0.20 H new ATOM 0 HA TYR A 75 -12.021 1.685 -6.072 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.709 0.399 -4.706 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -11.295 0.154 -4.003 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -11.468 0.692 -7.549 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -10.742 -2.313 -4.622 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.938 -1.040 -9.218 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -11.213 -4.052 -6.291 1.00 1.41 H new ATOM 0 HH TYR A 75 -11.772 -4.507 -8.378 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.693 3.363 -3.623 1.00 0.24 N ATOM 1240 CA LYS A 76 -10.956 4.263 -2.517 1.00 0.30 C ATOM 1241 C LYS A 76 -11.817 5.418 -3.015 1.00 0.37 C ATOM 1242 O LYS A 76 -12.739 5.874 -2.339 1.00 0.51 O ATOM 1243 CB LYS A 76 -9.624 4.788 -1.982 1.00 0.29 C ATOM 1244 CG LYS A 76 -9.749 5.897 -0.955 1.00 0.40 C ATOM 1245 CD LYS A 76 -8.822 7.051 -1.301 1.00 0.43 C ATOM 1246 CE LYS A 76 -8.082 7.564 -0.080 1.00 0.75 C ATOM 1247 NZ LYS A 76 -9.005 8.218 0.887 1.00 1.66 N ATOM 0 H LYS A 76 -9.715 3.332 -3.910 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.484 3.743 -1.717 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.074 3.959 -1.537 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -9.029 5.152 -2.820 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -10.780 6.250 -0.916 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -9.506 5.512 0.036 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -8.102 6.726 -2.053 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.401 7.862 -1.743 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -7.569 6.736 0.409 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -7.316 8.275 -0.390 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -8.469 8.878 1.486 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -9.739 8.740 0.367 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -9.453 7.494 1.484 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.485 5.877 -4.216 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.187 6.968 -4.871 1.00 0.36 C ATOM 1263 C GLU A 77 -13.539 6.512 -5.417 1.00 0.34 C ATOM 1264 O GLU A 77 -14.438 7.324 -5.632 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.317 7.511 -6.006 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.299 8.544 -5.553 1.00 0.49 C ATOM 1267 CD GLU A 77 -10.480 9.883 -6.241 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -9.883 10.083 -7.319 1.00 1.16 O ATOM 1269 OE2 GLU A 77 -11.221 10.732 -5.701 1.00 1.09 O ATOM 0 H GLU A 77 -10.714 5.497 -4.765 1.00 0.31 H new ATOM 0 HA GLU A 77 -12.375 7.752 -4.138 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -10.793 6.681 -6.480 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -11.961 7.956 -6.765 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -10.380 8.680 -4.475 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.295 8.170 -5.752 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.674 5.207 -5.637 1.00 0.31 N ATOM 1277 CA ARG A 78 -14.907 4.639 -6.170 1.00 0.33 C ATOM 1278 C ARG A 78 -15.799 4.110 -5.055 1.00 0.36 C ATOM 1279 O ARG A 78 -16.703 3.310 -5.299 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.587 3.507 -7.140 1.00 0.34 C ATOM 1281 CG ARG A 78 -13.942 3.970 -8.436 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.597 2.794 -9.335 1.00 0.42 C ATOM 1283 NE ARG A 78 -14.787 2.068 -9.771 1.00 1.15 N ATOM 1284 CZ ARG A 78 -14.750 0.991 -10.552 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -13.588 0.521 -10.987 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -15.875 0.383 -10.901 1.00 2.37 N ATOM 0 H ARG A 78 -12.941 4.522 -5.453 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.439 5.433 -6.693 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.922 2.797 -6.648 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.507 2.972 -7.375 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.619 4.644 -8.960 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -13.038 4.536 -8.212 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -13.052 3.153 -10.208 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -12.933 2.114 -8.802 1.00 0.42 H new ATOM 0 HE ARG A 78 -15.698 2.405 -9.459 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -12.719 0.985 -10.723 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -13.564 -0.305 -11.585 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -16.771 0.740 -10.571 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -15.844 -0.442 -11.500 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.540 4.566 -3.838 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.303 4.142 -2.679 1.00 0.43 C ATOM 1302 C ASP A 79 -16.387 2.620 -2.609 1.00 0.40 C ATOM 1303 O ASP A 79 -17.360 2.061 -2.103 1.00 0.47 O ATOM 1304 CB ASP A 79 -17.698 4.750 -2.732 1.00 0.54 C ATOM 1305 CG ASP A 79 -17.691 6.175 -3.249 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -17.504 7.102 -2.432 1.00 2.13 O ATOM 1307 OD2 ASP A 79 -17.873 6.365 -4.470 1.00 2.00 O ATOM 0 H ASP A 79 -14.800 5.236 -3.629 1.00 0.38 H new ATOM 0 HA ASP A 79 -15.795 4.491 -1.780 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -18.334 4.138 -3.372 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -18.137 4.731 -1.735 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.354 1.957 -3.122 1.00 0.32 N ATOM 1313 CA LEU A 80 -15.299 0.502 -3.127 1.00 0.32 C ATOM 1314 C LEU A 80 -14.743 -0.018 -1.807 1.00 0.31 C ATOM 1315 O LEU A 80 -15.254 -0.986 -1.244 1.00 0.50 O ATOM 1316 CB LEU A 80 -14.456 0.003 -4.302 1.00 0.29 C ATOM 1317 CG LEU A 80 -15.251 -0.705 -5.395 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.675 0.286 -6.462 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -14.430 -1.818 -6.008 1.00 0.39 C ATOM 0 H LEU A 80 -14.541 2.409 -3.541 1.00 0.32 H new ATOM 0 HA LEU A 80 -16.313 0.119 -3.244 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.932 0.851 -4.743 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.696 -0.680 -3.923 1.00 0.29 H new ATOM 0 HG LEU A 80 -16.145 -1.140 -4.948 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -16.241 -0.232 -7.236 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.298 1.060 -6.013 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.791 0.744 -6.905 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -15.011 -2.313 -6.786 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -13.521 -1.402 -6.443 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -14.165 -2.542 -5.237 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.692 0.633 -1.318 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.077 0.254 -0.053 1.00 0.14 C ATOM 1333 C ILE A 81 -13.993 0.620 1.106 1.00 0.13 C ATOM 1334 O ILE A 81 -14.566 1.711 1.134 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.715 0.946 0.141 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.749 0.526 -0.969 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.136 0.611 1.513 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.412 1.236 -0.913 1.00 0.17 C ATOM 0 H ILE A 81 -13.249 1.427 -1.780 1.00 0.18 H new ATOM 0 HA ILE A 81 -12.919 -0.824 -0.075 1.00 0.14 H new ATOM 0 HB ILE A 81 -11.859 2.025 0.087 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.582 -0.549 -0.906 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.214 0.720 -1.936 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.174 1.108 1.633 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.820 0.952 2.290 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -11.000 -0.467 1.597 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.780 0.887 -1.730 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.567 2.311 -1.007 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -8.926 1.021 0.039 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.132 -0.293 2.058 1.00 0.13 N ATOM 1351 CA ASP A 82 -14.985 -0.062 3.213 1.00 0.13 C ATOM 1352 C ASP A 82 -14.506 1.151 3.998 1.00 0.13 C ATOM 1353 O ASP A 82 -13.314 1.297 4.266 1.00 0.13 O ATOM 1354 CB ASP A 82 -14.991 -1.289 4.122 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.251 -1.385 4.959 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -16.436 -0.536 5.854 1.00 0.41 O ATOM 1357 OD2 ASP A 82 -17.054 -2.311 4.719 1.00 0.47 O ATOM 0 H ASP A 82 -13.665 -1.200 2.052 1.00 0.13 H new ATOM 0 HA ASP A 82 -15.998 0.125 2.855 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.893 -2.188 3.514 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.123 -1.254 4.780 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.444 2.018 4.363 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.116 3.213 5.124 1.00 0.16 C ATOM 1364 C ARG A 83 -14.506 2.839 6.467 1.00 0.18 C ATOM 1365 O ARG A 83 -13.950 3.685 7.167 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.357 4.088 5.314 1.00 0.19 C ATOM 1367 CG ARG A 83 -16.800 4.783 4.035 1.00 0.33 C ATOM 1368 CD ARG A 83 -15.773 5.809 3.571 1.00 0.63 C ATOM 1369 NE ARG A 83 -15.903 6.115 2.147 1.00 0.52 N ATOM 1370 CZ ARG A 83 -16.886 6.851 1.635 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.819 7.362 2.427 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -16.934 7.080 0.329 1.00 1.48 N ATOM 0 H ARG A 83 -16.435 1.914 4.144 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.379 3.788 4.563 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.175 3.472 5.687 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.151 4.840 6.076 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -16.954 4.041 3.251 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -17.758 5.275 4.201 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -15.890 6.725 4.150 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -14.770 5.432 3.770 1.00 0.63 H new ATOM 0 HE ARG A 83 -15.199 5.743 1.509 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -17.784 7.191 3.432 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -18.571 7.926 2.031 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -16.217 6.692 -0.284 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -17.688 7.644 -0.062 1.00 1.48 H new ATOM 1386 N SER A 84 -14.622 1.561 6.826 1.00 0.17 N ATOM 1387 CA SER A 84 -14.061 1.068 8.075 1.00 0.20 C ATOM 1388 C SER A 84 -12.544 1.202 8.046 1.00 0.19 C ATOM 1389 O SER A 84 -11.916 1.516 9.056 1.00 0.23 O ATOM 1390 CB SER A 84 -14.457 -0.391 8.305 1.00 0.22 C ATOM 1391 OG SER A 84 -15.859 -0.523 8.459 1.00 1.09 O ATOM 0 H SER A 84 -15.099 0.853 6.268 1.00 0.17 H new ATOM 0 HA SER A 84 -14.458 1.664 8.897 1.00 0.20 H new ATOM 0 HB2 SER A 84 -14.122 -0.998 7.464 1.00 0.22 H new ATOM 0 HB3 SER A 84 -13.953 -0.772 9.194 1.00 0.22 H new ATOM 0 HG SER A 84 -16.283 -0.563 7.576 1.00 1.09 H new ATOM 1397 N ALA A 85 -11.962 0.961 6.871 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.519 1.073 6.694 1.00 0.16 C ATOM 1399 C ALA A 85 -10.083 2.516 6.876 1.00 0.19 C ATOM 1400 O ALA A 85 -9.074 2.799 7.523 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.108 0.574 5.317 1.00 0.14 C ATOM 0 H ALA A 85 -12.470 0.687 6.030 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.029 0.455 7.446 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.028 0.666 5.204 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.397 -0.471 5.208 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.605 1.170 4.551 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.859 3.422 6.290 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.581 4.855 6.371 1.00 0.25 C ATOM 1409 C TYR A 86 -10.255 5.272 7.802 1.00 0.31 C ATOM 1410 O TYR A 86 -11.202 5.443 8.599 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.781 5.660 5.862 1.00 0.28 C ATOM 1412 CG TYR A 86 -11.979 5.599 4.364 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.141 4.385 3.718 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -12.011 6.759 3.599 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.329 4.321 2.352 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -12.198 6.705 2.231 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.357 5.483 1.613 1.00 0.34 C ATOM 1418 OH TYR A 86 -12.543 5.425 0.252 1.00 0.40 O ATOM 1419 OXT TYR A 86 -9.055 5.427 8.115 1.00 1.02 O ATOM 0 H TYR A 86 -11.692 3.188 5.750 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.714 5.062 5.743 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.684 5.294 6.352 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.657 6.702 6.159 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -12.120 3.471 4.294 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -11.888 7.717 4.081 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.453 3.365 1.865 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -12.219 7.615 1.649 1.00 0.44 H new ATOM 0 HH TYR A 86 -12.760 6.319 -0.087 1.00 0.40 H new TER 1429 TYR A 86