USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 852 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 8 HIS : no HD1:sc=-0.00614 K(o=-1.7,f=-2.2) USER MOD Set 1.2: A 13 HIS : no HD1:sc= -1.69! C(o=-1.7!,f=-2.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0836) USER MOD Single : A 19 THR OG1 : rot 74:sc= 0.0858 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc=-0.00168 X(o=-0.0017,f=-0.24) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.018 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.0419 K(o=0.042,f=-7.4!) USER MOD Single : A 40 LYS NZ :NH3+ 154:sc= -0.247 (180deg=-0.992) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot -84:sc= 0.683 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 165:sc= -0.0319 (180deg=-0.521) USER MOD Single : A 72 MET CE :methyl 160:sc= -0.0106 (180deg=-0.916) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 78 ASN : amide:sc= -0.301 K(o=-0.3,f=-1.6!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -139:sc= 0.188 USER MOD Single : A 87 TYR OH : rot 30:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.302 K(o=-0.3,f=-2.1!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.065) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot 180:sc= -0.504 USER MOD Single : A 110 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.9!) USER MOD Single : A 111 MET CE :methyl 180:sc= -2.01! (180deg=-2.01!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.999 -14.662 20.657 1.00 0.00 N ATOM 2 CA GLY A 1 -13.494 -15.913 20.114 1.00 0.00 C ATOM 3 C GLY A 1 -13.481 -15.881 18.586 1.00 0.00 C ATOM 4 O GLY A 1 -14.527 -15.997 17.949 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.998 -14.709 21.696 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.391 -13.878 20.345 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.970 -14.503 20.319 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.486 -16.094 20.486 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.115 -16.740 20.459 1.00 0.00 H new ATOM 8 N SER A 2 -12.284 -15.724 18.039 1.00 0.00 N ATOM 9 CA SER A 2 -12.121 -15.676 16.595 1.00 0.00 C ATOM 10 C SER A 2 -10.703 -16.108 16.215 1.00 0.00 C ATOM 11 O SER A 2 -10.519 -16.912 15.302 1.00 0.00 O ATOM 12 CB SER A 2 -12.411 -14.275 16.055 1.00 0.00 C ATOM 13 OG SER A 2 -11.963 -14.117 14.711 1.00 0.00 O ATOM 0 H SER A 2 -11.418 -15.628 18.569 1.00 0.00 H new ATOM 0 HA SER A 2 -12.837 -16.364 16.146 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.483 -14.082 16.105 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.924 -13.534 16.689 1.00 0.00 H new ATOM 0 HG SER A 2 -12.168 -13.210 14.402 1.00 0.00 H new ATOM 19 N SER A 3 -9.737 -15.556 16.934 1.00 0.00 N ATOM 20 CA SER A 3 -8.342 -15.875 16.683 1.00 0.00 C ATOM 21 C SER A 3 -7.952 -15.441 15.268 1.00 0.00 C ATOM 22 O SER A 3 -7.467 -14.329 15.068 1.00 0.00 O ATOM 23 CB SER A 3 -8.075 -17.369 16.872 1.00 0.00 C ATOM 24 OG SER A 3 -7.485 -17.651 18.138 1.00 0.00 O ATOM 0 H SER A 3 -9.893 -14.890 17.690 1.00 0.00 H new ATOM 0 HA SER A 3 -7.732 -15.331 17.404 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.011 -17.919 16.778 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.417 -17.723 16.079 1.00 0.00 H new ATOM 0 HG SER A 3 -7.332 -18.616 18.220 1.00 0.00 H new ATOM 30 N GLY A 4 -8.180 -16.342 14.323 1.00 0.00 N ATOM 31 CA GLY A 4 -7.859 -16.066 12.934 1.00 0.00 C ATOM 32 C GLY A 4 -8.578 -17.043 12.001 1.00 0.00 C ATOM 33 O GLY A 4 -8.027 -18.082 11.639 1.00 0.00 O ATOM 0 H GLY A 4 -8.583 -17.263 14.493 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.146 -15.044 12.687 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.782 -16.140 12.784 1.00 0.00 H new ATOM 37 N SER A 5 -9.797 -16.675 11.638 1.00 0.00 N ATOM 38 CA SER A 5 -10.598 -17.505 10.754 1.00 0.00 C ATOM 39 C SER A 5 -11.644 -16.650 10.037 1.00 0.00 C ATOM 40 O SER A 5 -11.584 -16.480 8.821 1.00 0.00 O ATOM 41 CB SER A 5 -11.277 -18.638 11.527 1.00 0.00 C ATOM 42 OG SER A 5 -12.060 -18.149 12.611 1.00 0.00 O ATOM 0 H SER A 5 -10.250 -15.813 11.940 1.00 0.00 H new ATOM 0 HA SER A 5 -9.936 -17.953 10.013 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.912 -19.209 10.850 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.519 -19.323 11.907 1.00 0.00 H new ATOM 0 HG SER A 5 -12.478 -18.902 13.078 1.00 0.00 H new ATOM 48 N SER A 6 -12.580 -16.136 10.822 1.00 0.00 N ATOM 49 CA SER A 6 -13.638 -15.303 10.278 1.00 0.00 C ATOM 50 C SER A 6 -13.044 -14.240 9.351 1.00 0.00 C ATOM 51 O SER A 6 -12.029 -13.626 9.676 1.00 0.00 O ATOM 52 CB SER A 6 -14.448 -14.641 11.394 1.00 0.00 C ATOM 53 OG SER A 6 -15.719 -14.190 10.936 1.00 0.00 O ATOM 0 H SER A 6 -12.627 -16.281 11.831 1.00 0.00 H new ATOM 0 HA SER A 6 -14.313 -15.939 9.705 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.588 -15.350 12.210 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.888 -13.797 11.797 1.00 0.00 H new ATOM 0 HG SER A 6 -16.206 -13.775 11.678 1.00 0.00 H new ATOM 59 N GLY A 7 -13.700 -14.056 8.215 1.00 0.00 N ATOM 60 CA GLY A 7 -13.249 -13.079 7.240 1.00 0.00 C ATOM 61 C GLY A 7 -11.724 -13.087 7.119 1.00 0.00 C ATOM 62 O GLY A 7 -11.054 -12.182 7.612 1.00 0.00 O ATOM 0 H GLY A 7 -14.541 -14.568 7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.695 -13.296 6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.589 -12.085 7.532 1.00 0.00 H new ATOM 66 N HIS A 8 -11.221 -14.121 6.461 1.00 0.00 N ATOM 67 CA HIS A 8 -9.787 -14.260 6.270 1.00 0.00 C ATOM 68 C HIS A 8 -9.512 -14.926 4.920 1.00 0.00 C ATOM 69 O HIS A 8 -10.091 -15.965 4.607 1.00 0.00 O ATOM 70 CB HIS A 8 -9.153 -15.013 7.442 1.00 0.00 C ATOM 71 CG HIS A 8 -7.725 -15.438 7.198 1.00 0.00 C ATOM 72 ND1 HIS A 8 -6.787 -14.610 6.606 1.00 0.00 N ATOM 73 CD2 HIS A 8 -7.085 -16.611 7.472 1.00 0.00 C ATOM 74 CE1 HIS A 8 -5.638 -15.266 6.531 1.00 0.00 C ATOM 75 NE2 HIS A 8 -5.825 -16.506 7.068 1.00 0.00 N ATOM 0 H HIS A 8 -11.780 -14.870 6.054 1.00 0.00 H new ATOM 0 HA HIS A 8 -9.322 -13.275 6.252 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -9.186 -14.379 8.328 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -9.752 -15.897 7.659 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.528 -17.478 7.939 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.716 -14.886 6.117 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.114 -17.233 7.146 1.00 0.00 H new ATOM 83 N TYR A 9 -8.628 -14.299 4.157 1.00 0.00 N ATOM 84 CA TYR A 9 -8.270 -14.818 2.848 1.00 0.00 C ATOM 85 C TYR A 9 -7.721 -16.242 2.953 1.00 0.00 C ATOM 86 O TYR A 9 -7.287 -16.666 4.023 1.00 0.00 O ATOM 87 CB TYR A 9 -7.168 -13.897 2.318 1.00 0.00 C ATOM 88 CG TYR A 9 -7.688 -12.611 1.674 1.00 0.00 C ATOM 89 CD1 TYR A 9 -8.723 -12.666 0.762 1.00 0.00 C ATOM 90 CD2 TYR A 9 -7.123 -11.396 2.005 1.00 0.00 C ATOM 91 CE1 TYR A 9 -9.212 -11.454 0.156 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.612 -10.185 1.399 1.00 0.00 C ATOM 93 CZ TYR A 9 -8.633 -10.274 0.505 1.00 0.00 C ATOM 94 OH TYR A 9 -9.095 -9.130 -0.067 1.00 0.00 O ATOM 0 H TYR A 9 -8.150 -13.437 4.420 1.00 0.00 H new ATOM 0 HA TYR A 9 -9.142 -14.847 2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.501 -13.636 3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.573 -14.443 1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.166 -13.617 0.503 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.314 -11.354 2.719 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.020 -11.482 -0.560 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.178 -9.228 1.649 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.589 -8.365 0.277 1.00 0.00 H new ATOM 104 N ILE A 10 -7.758 -16.941 1.829 1.00 0.00 N ATOM 105 CA ILE A 10 -7.270 -18.309 1.781 1.00 0.00 C ATOM 106 C ILE A 10 -5.751 -18.311 1.961 1.00 0.00 C ATOM 107 O ILE A 10 -5.162 -19.339 2.291 1.00 0.00 O ATOM 108 CB ILE A 10 -7.739 -19.001 0.500 1.00 0.00 C ATOM 109 CG1 ILE A 10 -7.402 -18.159 -0.732 1.00 0.00 C ATOM 110 CG2 ILE A 10 -9.229 -19.340 0.573 1.00 0.00 C ATOM 111 CD1 ILE A 10 -6.619 -18.981 -1.759 1.00 0.00 C ATOM 0 H ILE A 10 -8.119 -16.586 0.943 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.689 -18.892 2.601 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.200 -19.943 0.404 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.321 -17.785 -1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.816 -17.289 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.536 -19.831 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.410 -20.007 1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.805 -18.424 0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.392 -18.360 -2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.690 -19.333 -1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.217 -19.836 -2.073 1.00 0.00 H new ATOM 123 N PHE A 11 -5.159 -17.147 1.735 1.00 0.00 N ATOM 124 CA PHE A 11 -3.720 -17.001 1.868 1.00 0.00 C ATOM 125 C PHE A 11 -3.362 -16.226 3.138 1.00 0.00 C ATOM 126 O PHE A 11 -4.207 -15.538 3.710 1.00 0.00 O ATOM 127 CB PHE A 11 -3.237 -16.211 0.650 1.00 0.00 C ATOM 128 CG PHE A 11 -4.081 -14.975 0.335 1.00 0.00 C ATOM 129 CD1 PHE A 11 -3.821 -13.796 0.963 1.00 0.00 C ATOM 130 CD2 PHE A 11 -5.090 -15.054 -0.573 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.605 -12.648 0.670 1.00 0.00 C ATOM 132 CE2 PHE A 11 -5.873 -13.906 -0.866 1.00 0.00 C ATOM 133 CZ PHE A 11 -5.614 -12.728 -0.238 1.00 0.00 C ATOM 0 H PHE A 11 -5.650 -16.296 1.461 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.250 -17.983 1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.205 -15.901 0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.236 -16.868 -0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.019 -13.733 1.684 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.296 -15.990 -1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.400 -11.712 1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.674 -13.969 -1.588 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.210 -11.855 -0.461 1.00 0.00 H new ATOM 143 N PRO A 12 -2.075 -16.367 3.554 1.00 0.00 N ATOM 144 CA PRO A 12 -1.594 -15.688 4.746 1.00 0.00 C ATOM 145 C PRO A 12 -1.382 -14.196 4.479 1.00 0.00 C ATOM 146 O PRO A 12 -0.622 -13.824 3.586 1.00 0.00 O ATOM 147 CB PRO A 12 -0.313 -16.413 5.121 1.00 0.00 C ATOM 148 CG PRO A 12 0.124 -17.163 3.873 1.00 0.00 C ATOM 149 CD PRO A 12 -1.046 -17.173 2.902 1.00 0.00 C ATOM 0 HA PRO A 12 -2.309 -15.722 5.568 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.454 -15.709 5.442 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.482 -17.100 5.950 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.991 -16.680 3.421 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.421 -18.181 4.124 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.764 -16.751 1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.397 -18.188 2.715 1.00 0.00 H new ATOM 157 N HIS A 13 -2.066 -13.383 5.270 1.00 0.00 N ATOM 158 CA HIS A 13 -1.962 -11.941 5.131 1.00 0.00 C ATOM 159 C HIS A 13 -1.959 -11.290 6.516 1.00 0.00 C ATOM 160 O HIS A 13 -2.145 -11.969 7.525 1.00 0.00 O ATOM 161 CB HIS A 13 -3.069 -11.401 4.225 1.00 0.00 C ATOM 162 CG HIS A 13 -4.354 -11.079 4.951 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.733 -11.713 6.121 1.00 0.00 N ATOM 164 CD2 HIS A 13 -5.341 -10.184 4.660 1.00 0.00 C ATOM 165 CE1 HIS A 13 -5.898 -11.215 6.508 1.00 0.00 C ATOM 166 NE2 HIS A 13 -6.274 -10.268 5.601 1.00 0.00 N ATOM 0 H HIS A 13 -2.695 -13.696 6.010 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.019 -11.687 4.646 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.710 -10.501 3.727 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.278 -12.135 3.446 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.360 -9.520 3.809 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.453 -11.507 7.387 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -7.131 -9.716 5.639 1.00 0.00 H new ATOM 174 N ALA A 14 -1.746 -9.983 6.521 1.00 0.00 N ATOM 175 CA ALA A 14 -1.716 -9.233 7.765 1.00 0.00 C ATOM 176 C ALA A 14 -2.018 -7.762 7.476 1.00 0.00 C ATOM 177 O ALA A 14 -1.432 -7.170 6.571 1.00 0.00 O ATOM 178 CB ALA A 14 -0.359 -9.427 8.446 1.00 0.00 C ATOM 0 H ALA A 14 -1.592 -9.423 5.682 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.480 -9.598 8.451 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.337 -8.864 9.379 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.206 -10.485 8.657 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.433 -9.070 7.788 1.00 0.00 H new ATOM 184 N ARG A 15 -2.933 -7.213 8.262 1.00 0.00 N ATOM 185 CA ARG A 15 -3.321 -5.822 8.102 1.00 0.00 C ATOM 186 C ARG A 15 -2.526 -4.936 9.063 1.00 0.00 C ATOM 187 O ARG A 15 -2.963 -4.682 10.184 1.00 0.00 O ATOM 188 CB ARG A 15 -4.816 -5.634 8.364 1.00 0.00 C ATOM 189 CG ARG A 15 -5.557 -5.271 7.075 1.00 0.00 C ATOM 190 CD ARG A 15 -6.835 -4.487 7.379 1.00 0.00 C ATOM 191 NE ARG A 15 -7.413 -3.955 6.125 1.00 0.00 N ATOM 192 CZ ARG A 15 -8.428 -3.082 6.077 1.00 0.00 C ATOM 193 NH1 ARG A 15 -8.985 -2.638 7.213 1.00 0.00 N ATOM 194 NH2 ARG A 15 -8.888 -2.654 4.894 1.00 0.00 N ATOM 0 H ARG A 15 -3.417 -7.707 9.012 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.105 -5.533 7.073 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.234 -6.550 8.782 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.963 -4.849 9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.907 -4.678 6.432 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.805 -6.179 6.526 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.558 -5.133 7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.615 -3.668 8.064 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.014 -4.273 5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.636 -2.965 8.114 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.758 -1.973 7.176 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.465 -2.993 4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.661 -1.989 4.858 1.00 0.00 H new ATOM 208 N ILE A 16 -1.371 -4.491 8.590 1.00 0.00 N ATOM 209 CA ILE A 16 -0.512 -3.638 9.393 1.00 0.00 C ATOM 210 C ILE A 16 -0.837 -2.172 9.100 1.00 0.00 C ATOM 211 O ILE A 16 -1.459 -1.862 8.086 1.00 0.00 O ATOM 212 CB ILE A 16 0.959 -3.998 9.170 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.329 -5.280 9.920 1.00 0.00 C ATOM 214 CG2 ILE A 16 1.872 -2.831 9.547 1.00 0.00 C ATOM 215 CD1 ILE A 16 1.288 -6.492 8.988 1.00 0.00 C ATOM 0 H ILE A 16 -1.010 -4.705 7.660 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.700 -3.800 10.454 1.00 0.00 H new ATOM 0 HB ILE A 16 1.106 -4.192 8.107 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.326 -5.180 10.348 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.639 -5.432 10.750 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.911 -3.113 9.379 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.627 -1.965 8.933 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.729 -2.582 10.599 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.555 -7.389 9.546 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.283 -6.604 8.580 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.997 -6.348 8.172 1.00 0.00 H new ATOM 227 N LYS A 17 -0.401 -1.310 10.007 1.00 0.00 N ATOM 228 CA LYS A 17 -0.638 0.116 9.858 1.00 0.00 C ATOM 229 C LYS A 17 0.696 0.827 9.615 1.00 0.00 C ATOM 230 O LYS A 17 1.749 0.194 9.609 1.00 0.00 O ATOM 231 CB LYS A 17 -1.414 0.658 11.060 1.00 0.00 C ATOM 232 CG LYS A 17 -0.602 0.510 12.349 1.00 0.00 C ATOM 233 CD LYS A 17 -1.111 1.465 13.430 1.00 0.00 C ATOM 234 CE LYS A 17 -0.920 0.867 14.826 1.00 0.00 C ATOM 235 NZ LYS A 17 0.511 0.580 15.074 1.00 0.00 N ATOM 0 H LYS A 17 0.115 -1.571 10.847 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.266 0.310 8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.657 1.708 10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.359 0.124 11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.666 -0.518 12.707 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.450 0.712 12.146 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.579 2.414 13.361 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.167 1.679 13.264 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.294 1.560 15.580 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.503 -0.050 14.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.648 0.336 16.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.813 -0.218 14.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.079 1.420 14.841 1.00 0.00 H new ATOM 249 N ILE A 18 0.605 2.135 9.420 1.00 0.00 N ATOM 250 CA ILE A 18 1.790 2.939 9.176 1.00 0.00 C ATOM 251 C ILE A 18 1.674 4.257 9.946 1.00 0.00 C ATOM 252 O ILE A 18 0.758 5.042 9.703 1.00 0.00 O ATOM 253 CB ILE A 18 2.015 3.121 7.675 1.00 0.00 C ATOM 254 CG1 ILE A 18 1.929 1.782 6.941 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.337 3.841 7.402 1.00 0.00 C ATOM 256 CD1 ILE A 18 3.140 0.902 7.261 1.00 0.00 C ATOM 0 H ILE A 18 -0.271 2.657 9.426 1.00 0.00 H new ATOM 0 HA ILE A 18 2.679 2.429 9.547 1.00 0.00 H new ATOM 0 HB ILE A 18 1.218 3.753 7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.013 1.265 7.227 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.875 1.955 5.866 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.473 3.958 6.327 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.321 4.823 7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.161 3.256 7.810 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.054 -0.044 6.726 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.052 1.412 6.951 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.177 0.711 8.333 1.00 0.00 H new ATOM 268 N THR A 19 2.614 4.458 10.857 1.00 0.00 N ATOM 269 CA THR A 19 2.628 5.667 11.664 1.00 0.00 C ATOM 270 C THR A 19 3.595 6.693 11.069 1.00 0.00 C ATOM 271 O THR A 19 4.540 6.328 10.370 1.00 0.00 O ATOM 272 CB THR A 19 2.969 5.273 13.102 1.00 0.00 C ATOM 273 OG1 THR A 19 3.532 3.969 12.980 1.00 0.00 O ATOM 274 CG2 THR A 19 1.722 5.062 13.962 1.00 0.00 C ATOM 0 H THR A 19 3.372 3.804 11.055 1.00 0.00 H new ATOM 0 HA THR A 19 1.651 6.151 11.668 1.00 0.00 H new ATOM 0 HB THR A 19 3.594 6.045 13.552 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.435 4.036 12.605 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.020 4.784 14.973 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.143 5.985 13.995 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.113 4.267 13.532 1.00 0.00 H new ATOM 282 N ARG A 20 3.326 7.955 11.369 1.00 0.00 N ATOM 283 CA ARG A 20 4.161 9.036 10.873 1.00 0.00 C ATOM 284 C ARG A 20 5.603 8.856 11.351 1.00 0.00 C ATOM 285 O ARG A 20 5.839 8.331 12.438 1.00 0.00 O ATOM 286 CB ARG A 20 3.641 10.395 11.345 1.00 0.00 C ATOM 287 CG ARG A 20 4.097 11.513 10.406 1.00 0.00 C ATOM 288 CD ARG A 20 2.980 12.536 10.188 1.00 0.00 C ATOM 289 NE ARG A 20 3.031 13.573 11.244 1.00 0.00 N ATOM 290 CZ ARG A 20 4.023 14.464 11.375 1.00 0.00 C ATOM 291 NH1 ARG A 20 5.053 14.450 10.518 1.00 0.00 N ATOM 292 NH2 ARG A 20 3.985 15.369 12.363 1.00 0.00 N ATOM 0 H ARG A 20 2.542 8.253 11.949 1.00 0.00 H new ATOM 0 HA ARG A 20 4.129 9.006 9.784 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.552 10.376 11.391 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.999 10.595 12.355 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.973 12.009 10.824 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.398 11.088 9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.086 12.999 9.207 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.011 12.037 10.203 1.00 0.00 H new ATOM 0 HE ARG A 20 2.263 13.611 11.914 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.082 13.761 9.766 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.808 15.128 10.617 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.201 15.379 13.015 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.740 16.047 12.463 1.00 0.00 H new ATOM 306 N ASP A 21 6.530 9.299 10.514 1.00 0.00 N ATOM 307 CA ASP A 21 7.942 9.193 10.837 1.00 0.00 C ATOM 308 C ASP A 21 8.229 9.984 12.115 1.00 0.00 C ATOM 309 O ASP A 21 7.421 10.812 12.532 1.00 0.00 O ATOM 310 CB ASP A 21 8.809 9.773 9.718 1.00 0.00 C ATOM 311 CG ASP A 21 10.248 9.253 9.678 1.00 0.00 C ATOM 312 OD1 ASP A 21 10.978 9.531 10.654 1.00 0.00 O ATOM 313 OD2 ASP A 21 10.584 8.590 8.674 1.00 0.00 O ATOM 0 H ASP A 21 6.330 9.732 9.612 1.00 0.00 H new ATOM 0 HA ASP A 21 8.179 8.137 10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.334 9.556 8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.834 10.858 9.823 1.00 0.00 H new ATOM 318 N SER A 22 9.384 9.702 12.701 1.00 0.00 N ATOM 319 CA SER A 22 9.787 10.377 13.922 1.00 0.00 C ATOM 320 C SER A 22 10.931 11.349 13.629 1.00 0.00 C ATOM 321 O SER A 22 12.094 11.043 13.889 1.00 0.00 O ATOM 322 CB SER A 22 10.209 9.370 14.994 1.00 0.00 C ATOM 323 OG SER A 22 9.370 9.432 16.144 1.00 0.00 O ATOM 0 H SER A 22 10.053 9.015 12.352 1.00 0.00 H new ATOM 0 HA SER A 22 8.932 10.936 14.302 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.179 8.363 14.577 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.241 9.563 15.287 1.00 0.00 H new ATOM 0 HG SER A 22 9.671 8.773 16.804 1.00 0.00 H new ATOM 329 N LYS A 23 10.561 12.502 13.091 1.00 0.00 N ATOM 330 CA LYS A 23 11.542 13.522 12.760 1.00 0.00 C ATOM 331 C LYS A 23 10.818 14.818 12.389 1.00 0.00 C ATOM 332 O LYS A 23 9.690 14.785 11.899 1.00 0.00 O ATOM 333 CB LYS A 23 12.494 13.018 11.673 1.00 0.00 C ATOM 334 CG LYS A 23 13.934 13.448 11.962 1.00 0.00 C ATOM 335 CD LYS A 23 14.536 14.185 10.764 1.00 0.00 C ATOM 336 CE LYS A 23 15.585 15.203 11.218 1.00 0.00 C ATOM 337 NZ LYS A 23 16.792 15.119 10.365 1.00 0.00 N ATOM 0 H LYS A 23 9.596 12.752 12.876 1.00 0.00 H new ATOM 0 HA LYS A 23 12.169 13.742 13.624 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.440 11.931 11.613 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.182 13.406 10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.955 14.094 12.839 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.539 12.572 12.196 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.992 13.467 10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.746 14.693 10.211 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.168 16.209 11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.854 15.018 12.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.494 15.816 10.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.198 14.164 10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.534 15.318 9.377 1.00 0.00 H new ATOM 351 N ASP A 24 11.497 15.930 12.638 1.00 0.00 N ATOM 352 CA ASP A 24 10.932 17.233 12.336 1.00 0.00 C ATOM 353 C ASP A 24 12.059 18.266 12.254 1.00 0.00 C ATOM 354 O ASP A 24 12.997 18.231 13.048 1.00 0.00 O ATOM 355 CB ASP A 24 9.962 17.681 13.431 1.00 0.00 C ATOM 356 CG ASP A 24 10.389 17.327 14.857 1.00 0.00 C ATOM 357 OD1 ASP A 24 10.211 16.146 15.226 1.00 0.00 O ATOM 358 OD2 ASP A 24 10.884 18.245 15.546 1.00 0.00 O ATOM 0 H ASP A 24 12.432 15.954 13.045 1.00 0.00 H new ATOM 0 HA ASP A 24 10.397 17.157 11.389 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.835 18.761 13.363 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.987 17.233 13.238 1.00 0.00 H new ATOM 363 N HIS A 25 11.930 19.159 11.283 1.00 0.00 N ATOM 364 CA HIS A 25 12.926 20.198 11.086 1.00 0.00 C ATOM 365 C HIS A 25 12.319 21.562 11.424 1.00 0.00 C ATOM 366 O HIS A 25 12.680 22.176 12.426 1.00 0.00 O ATOM 367 CB HIS A 25 13.500 20.140 9.669 1.00 0.00 C ATOM 368 CG HIS A 25 14.695 21.037 9.454 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.796 21.904 8.380 1.00 0.00 N ATOM 370 CD2 HIS A 25 15.837 21.192 10.184 1.00 0.00 C ATOM 371 CE1 HIS A 25 15.951 22.548 8.469 1.00 0.00 C ATOM 372 NE2 HIS A 25 16.595 22.105 9.588 1.00 0.00 N ATOM 0 H HIS A 25 11.151 19.184 10.625 1.00 0.00 H new ATOM 0 HA HIS A 25 13.765 20.034 11.762 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.785 19.112 9.445 1.00 0.00 H new ATOM 0 HB3 HIS A 25 12.719 20.416 8.960 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.083 20.662 11.092 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.318 23.292 7.778 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.508 22.423 9.913 1.00 0.00 H new ATOM 380 N THR A 26 11.405 21.995 10.568 1.00 0.00 N ATOM 381 CA THR A 26 10.743 23.274 10.762 1.00 0.00 C ATOM 382 C THR A 26 9.229 23.120 10.606 1.00 0.00 C ATOM 383 O THR A 26 8.465 23.574 11.457 1.00 0.00 O ATOM 384 CB THR A 26 11.357 24.277 9.783 1.00 0.00 C ATOM 385 OG1 THR A 26 11.349 23.592 8.534 1.00 0.00 O ATOM 386 CG2 THR A 26 12.839 24.533 10.059 1.00 0.00 C ATOM 0 H THR A 26 11.107 21.482 9.738 1.00 0.00 H new ATOM 0 HA THR A 26 10.897 23.650 11.774 1.00 0.00 H new ATOM 0 HB THR A 26 10.811 25.219 9.838 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.729 24.171 7.841 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.225 25.252 9.336 1.00 0.00 H new ATOM 0 HG22 THR A 26 12.958 24.932 11.066 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.392 23.598 9.972 1.00 0.00 H new ATOM 394 N VAL A 27 8.841 22.481 9.513 1.00 0.00 N ATOM 395 CA VAL A 27 7.431 22.262 9.235 1.00 0.00 C ATOM 396 C VAL A 27 7.188 20.769 9.003 1.00 0.00 C ATOM 397 O VAL A 27 7.392 20.266 7.899 1.00 0.00 O ATOM 398 CB VAL A 27 6.991 23.129 8.054 1.00 0.00 C ATOM 399 CG1 VAL A 27 6.769 24.579 8.492 1.00 0.00 C ATOM 400 CG2 VAL A 27 8.001 23.050 6.908 1.00 0.00 C ATOM 0 H VAL A 27 9.478 22.108 8.809 1.00 0.00 H new ATOM 0 HA VAL A 27 6.822 22.562 10.087 1.00 0.00 H new ATOM 0 HB VAL A 27 6.041 22.740 7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.457 25.175 7.634 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.995 24.613 9.258 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.697 24.983 8.896 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.663 23.676 6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.973 23.400 7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.087 22.017 6.570 1.00 0.00 H new ATOM 410 N SER A 28 6.754 20.102 10.063 1.00 0.00 N ATOM 411 CA SER A 28 6.480 18.677 9.990 1.00 0.00 C ATOM 412 C SER A 28 7.788 17.901 9.826 1.00 0.00 C ATOM 413 O SER A 28 8.216 17.199 10.742 1.00 0.00 O ATOM 414 CB SER A 28 5.526 18.358 8.836 1.00 0.00 C ATOM 415 OG SER A 28 4.385 19.212 8.834 1.00 0.00 O ATOM 0 H SER A 28 6.585 20.522 10.977 1.00 0.00 H new ATOM 0 HA SER A 28 5.998 18.373 10.919 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.056 18.459 7.889 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.202 17.320 8.910 1.00 0.00 H new ATOM 0 HG SER A 28 3.802 18.978 8.082 1.00 0.00 H new ATOM 421 N GLY A 29 8.386 18.050 8.654 1.00 0.00 N ATOM 422 CA GLY A 29 9.637 17.372 8.360 1.00 0.00 C ATOM 423 C GLY A 29 9.395 16.121 7.511 1.00 0.00 C ATOM 424 O GLY A 29 8.514 16.109 6.653 1.00 0.00 O ATOM 0 H GLY A 29 8.027 18.631 7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.307 18.050 7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.132 17.094 9.291 1.00 0.00 H new ATOM 428 N ASN A 30 10.195 15.100 7.780 1.00 0.00 N ATOM 429 CA ASN A 30 10.080 13.847 7.052 1.00 0.00 C ATOM 430 C ASN A 30 8.611 13.421 7.010 1.00 0.00 C ATOM 431 O ASN A 30 7.821 13.817 7.865 1.00 0.00 O ATOM 432 CB ASN A 30 10.876 12.736 7.738 1.00 0.00 C ATOM 433 CG ASN A 30 11.378 11.711 6.719 1.00 0.00 C ATOM 434 OD1 ASN A 30 10.698 11.359 5.768 1.00 0.00 O ATOM 435 ND2 ASN A 30 12.600 11.253 6.969 1.00 0.00 N ATOM 0 H ASN A 30 10.925 15.114 8.492 1.00 0.00 H new ATOM 0 HA ASN A 30 10.473 14.003 6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.722 13.167 8.272 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.250 12.240 8.480 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.024 10.565 6.347 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.114 11.590 7.783 1.00 0.00 H new ATOM 442 N GLY A 31 8.291 12.617 6.007 1.00 0.00 N ATOM 443 CA GLY A 31 6.930 12.131 5.842 1.00 0.00 C ATOM 444 C GLY A 31 6.904 10.607 5.717 1.00 0.00 C ATOM 445 O GLY A 31 7.934 9.951 5.862 1.00 0.00 O ATOM 0 H GLY A 31 8.950 12.290 5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.324 12.440 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.485 12.580 4.954 1.00 0.00 H new ATOM 449 N LEU A 32 5.715 10.087 5.451 1.00 0.00 N ATOM 450 CA LEU A 32 5.540 8.652 5.305 1.00 0.00 C ATOM 451 C LEU A 32 6.498 8.133 4.231 1.00 0.00 C ATOM 452 O LEU A 32 6.150 8.089 3.053 1.00 0.00 O ATOM 453 CB LEU A 32 4.072 8.316 5.035 1.00 0.00 C ATOM 454 CG LEU A 32 3.383 7.435 6.079 1.00 0.00 C ATOM 455 CD1 LEU A 32 3.204 8.188 7.399 1.00 0.00 C ATOM 456 CD2 LEU A 32 2.057 6.889 5.546 1.00 0.00 C ATOM 0 H LEU A 32 4.862 10.634 5.333 1.00 0.00 H new ATOM 0 HA LEU A 32 5.794 8.140 6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.515 9.250 4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.006 7.818 4.068 1.00 0.00 H new ATOM 0 HG LEU A 32 4.026 6.578 6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.712 7.540 8.124 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.180 8.487 7.783 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.593 9.075 7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.588 6.266 6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.395 7.719 5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.242 6.292 4.653 1.00 0.00 H new ATOM 468 N GLY A 33 7.687 7.753 4.677 1.00 0.00 N ATOM 469 CA GLY A 33 8.698 7.239 3.769 1.00 0.00 C ATOM 470 C GLY A 33 8.324 5.842 3.267 1.00 0.00 C ATOM 471 O GLY A 33 8.913 4.849 3.692 1.00 0.00 O ATOM 0 H GLY A 33 7.972 7.791 5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.810 7.916 2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.662 7.201 4.276 1.00 0.00 H new ATOM 475 N ILE A 34 7.348 5.810 2.372 1.00 0.00 N ATOM 476 CA ILE A 34 6.890 4.552 1.809 1.00 0.00 C ATOM 477 C ILE A 34 6.636 4.731 0.311 1.00 0.00 C ATOM 478 O ILE A 34 5.975 5.684 -0.101 1.00 0.00 O ATOM 479 CB ILE A 34 5.675 4.030 2.581 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.298 2.621 2.119 1.00 0.00 C ATOM 481 CG2 ILE A 34 4.500 5.003 2.474 1.00 0.00 C ATOM 482 CD1 ILE A 34 4.654 1.826 3.258 1.00 0.00 C ATOM 0 H ILE A 34 6.862 6.636 2.023 1.00 0.00 H new ATOM 0 HA ILE A 34 7.658 3.786 1.913 1.00 0.00 H new ATOM 0 HB ILE A 34 5.941 3.962 3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.608 2.682 1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.187 2.100 1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.650 4.609 3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.789 5.969 2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.223 5.125 1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.395 0.828 2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.356 1.746 4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.752 2.337 3.594 1.00 0.00 H new ATOM 494 N ARG A 35 7.174 3.800 -0.464 1.00 0.00 N ATOM 495 CA ARG A 35 7.014 3.844 -1.907 1.00 0.00 C ATOM 496 C ARG A 35 6.152 2.671 -2.381 1.00 0.00 C ATOM 497 O ARG A 35 6.617 1.534 -2.430 1.00 0.00 O ATOM 498 CB ARG A 35 8.370 3.788 -2.613 1.00 0.00 C ATOM 499 CG ARG A 35 9.143 5.095 -2.421 1.00 0.00 C ATOM 500 CD ARG A 35 8.944 6.030 -3.615 1.00 0.00 C ATOM 501 NE ARG A 35 9.671 7.300 -3.391 1.00 0.00 N ATOM 502 CZ ARG A 35 9.514 8.398 -4.141 1.00 0.00 C ATOM 503 NH1 ARG A 35 8.654 8.390 -5.170 1.00 0.00 N ATOM 504 NH2 ARG A 35 10.215 9.506 -3.863 1.00 0.00 N ATOM 0 H ARG A 35 7.721 3.011 -0.119 1.00 0.00 H new ATOM 0 HA ARG A 35 6.524 4.785 -2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.954 2.955 -2.221 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.223 3.601 -3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.809 5.589 -1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.204 4.879 -2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.304 5.551 -4.526 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.882 6.230 -3.758 1.00 0.00 H new ATOM 0 HE ARG A 35 10.333 7.341 -2.616 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.119 7.547 -5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.534 9.227 -5.741 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.868 9.513 -3.080 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.095 10.342 -4.435 1.00 0.00 H new ATOM 518 N ILE A 36 4.911 2.990 -2.718 1.00 0.00 N ATOM 519 CA ILE A 36 3.979 1.978 -3.185 1.00 0.00 C ATOM 520 C ILE A 36 3.565 2.298 -4.623 1.00 0.00 C ATOM 521 O ILE A 36 3.297 3.452 -4.954 1.00 0.00 O ATOM 522 CB ILE A 36 2.799 1.848 -2.220 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.221 1.137 -0.932 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.613 1.156 -2.894 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.021 0.917 -0.009 1.00 0.00 C ATOM 0 H ILE A 36 4.529 3.935 -2.677 1.00 0.00 H new ATOM 0 HA ILE A 36 4.457 0.998 -3.200 1.00 0.00 H new ATOM 0 HB ILE A 36 2.472 2.850 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.678 0.178 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.977 1.729 -0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.788 1.076 -2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.295 1.739 -3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.910 0.159 -3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.348 0.410 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.581 1.880 0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.277 0.304 -0.519 1.00 0.00 H new ATOM 537 N VAL A 37 3.526 1.255 -5.440 1.00 0.00 N ATOM 538 CA VAL A 37 3.148 1.411 -6.834 1.00 0.00 C ATOM 539 C VAL A 37 1.764 0.798 -7.056 1.00 0.00 C ATOM 540 O VAL A 37 1.078 0.444 -6.098 1.00 0.00 O ATOM 541 CB VAL A 37 4.222 0.803 -7.739 1.00 0.00 C ATOM 542 CG1 VAL A 37 5.599 1.393 -7.428 1.00 0.00 C ATOM 543 CG2 VAL A 37 4.241 -0.722 -7.618 1.00 0.00 C ATOM 0 H VAL A 37 3.750 0.299 -5.163 1.00 0.00 H new ATOM 0 HA VAL A 37 3.081 2.467 -7.094 1.00 0.00 H new ATOM 0 HB VAL A 37 3.973 1.055 -8.770 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.344 0.944 -8.085 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.577 2.471 -7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.858 1.185 -6.390 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.013 -1.129 -8.271 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.453 -1.003 -6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.270 -1.122 -7.910 1.00 0.00 H new ATOM 553 N GLY A 38 1.395 0.692 -8.323 1.00 0.00 N ATOM 554 CA GLY A 38 0.104 0.127 -8.683 1.00 0.00 C ATOM 555 C GLY A 38 0.022 -0.139 -10.187 1.00 0.00 C ATOM 556 O GLY A 38 0.843 0.360 -10.955 1.00 0.00 O ATOM 0 H GLY A 38 1.967 0.988 -9.114 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.055 -0.803 -8.137 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.691 0.811 -8.387 1.00 0.00 H new ATOM 560 N GLY A 39 -0.976 -0.925 -10.562 1.00 0.00 N ATOM 561 CA GLY A 39 -1.177 -1.263 -11.961 1.00 0.00 C ATOM 562 C GLY A 39 -0.001 -2.079 -12.502 1.00 0.00 C ATOM 563 O GLY A 39 0.108 -2.293 -13.708 1.00 0.00 O ATOM 0 H GLY A 39 -1.654 -1.338 -9.922 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.100 -1.831 -12.073 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.291 -0.351 -12.547 1.00 0.00 H new ATOM 567 N LYS A 40 0.848 -2.513 -11.583 1.00 0.00 N ATOM 568 CA LYS A 40 2.012 -3.301 -11.953 1.00 0.00 C ATOM 569 C LYS A 40 1.613 -4.774 -12.056 1.00 0.00 C ATOM 570 O LYS A 40 0.950 -5.304 -11.167 1.00 0.00 O ATOM 571 CB LYS A 40 3.165 -3.042 -10.981 1.00 0.00 C ATOM 572 CG LYS A 40 4.512 -3.074 -11.707 1.00 0.00 C ATOM 573 CD LYS A 40 5.000 -1.657 -12.018 1.00 0.00 C ATOM 574 CE LYS A 40 6.179 -1.686 -12.992 1.00 0.00 C ATOM 575 NZ LYS A 40 5.806 -2.394 -14.237 1.00 0.00 N ATOM 0 H LYS A 40 0.754 -2.334 -10.583 1.00 0.00 H new ATOM 0 HA LYS A 40 2.380 -3.001 -12.934 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.030 -2.073 -10.501 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.155 -3.793 -10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.249 -3.590 -11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.417 -3.641 -12.633 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.185 -1.073 -12.445 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.298 -1.160 -11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.491 -0.668 -13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.031 -2.181 -12.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.394 -2.049 -15.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.957 -3.416 -14.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.804 -2.216 -14.451 1.00 0.00 H new ATOM 589 N GLU A 41 2.036 -5.393 -13.148 1.00 0.00 N ATOM 590 CA GLU A 41 1.732 -6.795 -13.379 1.00 0.00 C ATOM 591 C GLU A 41 2.158 -7.636 -12.173 1.00 0.00 C ATOM 592 O GLU A 41 3.231 -7.425 -11.613 1.00 0.00 O ATOM 593 CB GLU A 41 2.398 -7.298 -14.661 1.00 0.00 C ATOM 594 CG GLU A 41 1.557 -8.391 -15.324 1.00 0.00 C ATOM 595 CD GLU A 41 1.755 -8.390 -16.841 1.00 0.00 C ATOM 596 OE1 GLU A 41 1.337 -7.391 -17.466 1.00 0.00 O ATOM 597 OE2 GLU A 41 2.317 -9.387 -17.341 1.00 0.00 O ATOM 0 H GLU A 41 2.587 -4.949 -13.883 1.00 0.00 H new ATOM 0 HA GLU A 41 0.654 -6.896 -13.506 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.534 -6.468 -15.354 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.390 -7.687 -14.431 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.833 -9.364 -14.918 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.504 -8.236 -15.091 1.00 0.00 H new ATOM 604 N ILE A 42 1.293 -8.573 -11.811 1.00 0.00 N ATOM 605 CA ILE A 42 1.566 -9.447 -10.683 1.00 0.00 C ATOM 606 C ILE A 42 2.320 -10.685 -11.173 1.00 0.00 C ATOM 607 O ILE A 42 2.022 -11.213 -12.243 1.00 0.00 O ATOM 608 CB ILE A 42 0.274 -9.771 -9.931 1.00 0.00 C ATOM 609 CG1 ILE A 42 -0.445 -8.491 -9.500 1.00 0.00 C ATOM 610 CG2 ILE A 42 0.546 -10.702 -8.748 1.00 0.00 C ATOM 611 CD1 ILE A 42 -1.924 -8.762 -9.217 1.00 0.00 C ATOM 0 H ILE A 42 0.403 -8.746 -12.279 1.00 0.00 H new ATOM 0 HA ILE A 42 2.211 -8.946 -9.961 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.393 -10.302 -10.611 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.031 -8.085 -8.608 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.353 -7.737 -10.282 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.389 -10.916 -8.231 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.982 -11.633 -9.110 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.240 -10.221 -8.058 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.412 -7.836 -8.913 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.403 -9.145 -10.118 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.013 -9.498 -8.418 1.00 0.00 H new ATOM 623 N PRO A 43 3.306 -11.122 -10.345 1.00 0.00 N ATOM 624 CA PRO A 43 4.104 -12.289 -10.683 1.00 0.00 C ATOM 625 C PRO A 43 3.308 -13.578 -10.474 1.00 0.00 C ATOM 626 O PRO A 43 3.459 -14.246 -9.451 1.00 0.00 O ATOM 627 CB PRO A 43 5.332 -12.197 -9.793 1.00 0.00 C ATOM 628 CG PRO A 43 4.960 -11.246 -8.667 1.00 0.00 C ATOM 629 CD PRO A 43 3.686 -10.522 -9.071 1.00 0.00 C ATOM 0 HA PRO A 43 4.392 -12.312 -11.734 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.605 -13.177 -9.402 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.192 -11.825 -10.351 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.809 -11.795 -7.738 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.764 -10.532 -8.488 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.903 -10.651 -8.324 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.855 -9.450 -9.173 1.00 0.00 H new ATOM 637 N GLY A 44 2.478 -13.890 -11.458 1.00 0.00 N ATOM 638 CA GLY A 44 1.658 -15.088 -11.392 1.00 0.00 C ATOM 639 C GLY A 44 0.251 -14.762 -10.884 1.00 0.00 C ATOM 640 O GLY A 44 -0.039 -14.931 -9.700 1.00 0.00 O ATOM 0 H GLY A 44 2.355 -13.335 -12.305 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.595 -15.545 -12.380 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.127 -15.818 -10.732 1.00 0.00 H new ATOM 644 N HIS A 45 -0.584 -14.303 -11.803 1.00 0.00 N ATOM 645 CA HIS A 45 -1.953 -13.953 -11.463 1.00 0.00 C ATOM 646 C HIS A 45 -2.798 -13.891 -12.736 1.00 0.00 C ATOM 647 O HIS A 45 -3.551 -12.939 -12.939 1.00 0.00 O ATOM 648 CB HIS A 45 -1.997 -12.653 -10.657 1.00 0.00 C ATOM 649 CG HIS A 45 -2.915 -12.703 -9.460 1.00 0.00 C ATOM 650 ND1 HIS A 45 -4.266 -12.410 -9.538 1.00 0.00 N ATOM 651 CD2 HIS A 45 -2.663 -13.014 -8.156 1.00 0.00 C ATOM 652 CE1 HIS A 45 -4.792 -12.543 -8.330 1.00 0.00 C ATOM 653 NE2 HIS A 45 -3.797 -12.916 -7.474 1.00 0.00 N ATOM 0 H HIS A 45 -0.340 -14.165 -12.784 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.381 -14.724 -10.822 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -0.989 -12.413 -10.319 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.315 -11.842 -11.312 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.703 -13.293 -7.748 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.828 -12.384 -8.068 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -3.907 -13.091 -6.475 1.00 0.00 H new ATOM 661 N SER A 46 -2.646 -14.917 -13.560 1.00 0.00 N ATOM 662 CA SER A 46 -3.387 -14.991 -14.808 1.00 0.00 C ATOM 663 C SER A 46 -3.372 -13.630 -15.507 1.00 0.00 C ATOM 664 O SER A 46 -4.384 -13.200 -16.058 1.00 0.00 O ATOM 665 CB SER A 46 -4.828 -15.448 -14.568 1.00 0.00 C ATOM 666 OG SER A 46 -4.994 -16.841 -14.816 1.00 0.00 O ATOM 0 H SER A 46 -2.021 -15.704 -13.388 1.00 0.00 H new ATOM 0 HA SER A 46 -2.903 -15.728 -15.449 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.112 -15.226 -13.539 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.500 -14.882 -15.213 1.00 0.00 H new ATOM 0 HG SER A 46 -5.926 -17.094 -14.650 1.00 0.00 H new ATOM 672 N GLY A 47 -2.213 -12.989 -15.461 1.00 0.00 N ATOM 673 CA GLY A 47 -2.053 -11.686 -16.083 1.00 0.00 C ATOM 674 C GLY A 47 -2.999 -10.659 -15.456 1.00 0.00 C ATOM 675 O GLY A 47 -3.938 -10.200 -16.101 1.00 0.00 O ATOM 0 H GLY A 47 -1.376 -13.348 -15.002 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.022 -11.351 -15.973 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.251 -11.763 -17.152 1.00 0.00 H new ATOM 679 N GLU A 48 -2.716 -10.329 -14.203 1.00 0.00 N ATOM 680 CA GLU A 48 -3.530 -9.366 -13.482 1.00 0.00 C ATOM 681 C GLU A 48 -2.647 -8.267 -12.887 1.00 0.00 C ATOM 682 O GLU A 48 -1.565 -8.545 -12.374 1.00 0.00 O ATOM 683 CB GLU A 48 -4.358 -10.053 -12.395 1.00 0.00 C ATOM 684 CG GLU A 48 -5.464 -9.128 -11.882 1.00 0.00 C ATOM 685 CD GLU A 48 -6.770 -9.361 -12.643 1.00 0.00 C ATOM 686 OE1 GLU A 48 -7.330 -10.468 -12.485 1.00 0.00 O ATOM 687 OE2 GLU A 48 -7.181 -8.427 -13.365 1.00 0.00 O ATOM 0 H GLU A 48 -1.935 -10.712 -13.670 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.225 -8.907 -14.185 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.799 -10.968 -12.792 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.710 -10.344 -11.568 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.623 -9.301 -10.818 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.155 -8.089 -11.993 1.00 0.00 H new ATOM 694 N ILE A 49 -3.144 -7.041 -12.974 1.00 0.00 N ATOM 695 CA ILE A 49 -2.414 -5.899 -12.451 1.00 0.00 C ATOM 696 C ILE A 49 -2.756 -5.716 -10.971 1.00 0.00 C ATOM 697 O ILE A 49 -3.912 -5.860 -10.574 1.00 0.00 O ATOM 698 CB ILE A 49 -2.682 -4.657 -13.302 1.00 0.00 C ATOM 699 CG1 ILE A 49 -4.183 -4.457 -13.525 1.00 0.00 C ATOM 700 CG2 ILE A 49 -1.910 -4.719 -14.621 1.00 0.00 C ATOM 701 CD1 ILE A 49 -4.484 -3.028 -13.980 1.00 0.00 C ATOM 0 H ILE A 49 -4.043 -6.814 -13.399 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.340 -6.073 -12.512 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.319 -3.786 -12.757 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.540 -5.164 -14.274 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.723 -4.670 -12.602 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.118 -3.824 -15.207 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.841 -4.777 -14.415 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.219 -5.600 -15.183 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.557 -2.913 -14.131 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.147 -2.325 -13.218 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.962 -2.826 -14.915 1.00 0.00 H new ATOM 713 N GLY A 50 -1.730 -5.402 -10.194 1.00 0.00 N ATOM 714 CA GLY A 50 -1.907 -5.198 -8.766 1.00 0.00 C ATOM 715 C GLY A 50 -0.971 -4.103 -8.249 1.00 0.00 C ATOM 716 O GLY A 50 -0.414 -3.336 -9.033 1.00 0.00 O ATOM 0 H GLY A 50 -0.773 -5.284 -10.526 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.942 -4.924 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.711 -6.129 -8.235 1.00 0.00 H new ATOM 720 N ALA A 51 -0.828 -4.065 -6.932 1.00 0.00 N ATOM 721 CA ALA A 51 0.029 -3.078 -6.300 1.00 0.00 C ATOM 722 C ALA A 51 1.106 -3.792 -5.481 1.00 0.00 C ATOM 723 O ALA A 51 0.817 -4.766 -4.787 1.00 0.00 O ATOM 724 CB ALA A 51 -0.821 -2.132 -5.449 1.00 0.00 C ATOM 0 H ALA A 51 -1.292 -4.703 -6.285 1.00 0.00 H new ATOM 0 HA ALA A 51 0.535 -2.473 -7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.177 -1.391 -4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.549 -1.627 -6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.343 -2.703 -4.681 1.00 0.00 H new ATOM 730 N TYR A 52 2.323 -3.280 -5.587 1.00 0.00 N ATOM 731 CA TYR A 52 3.444 -3.857 -4.864 1.00 0.00 C ATOM 732 C TYR A 52 4.412 -2.770 -4.395 1.00 0.00 C ATOM 733 O TYR A 52 4.660 -1.803 -5.113 1.00 0.00 O ATOM 734 CB TYR A 52 4.163 -4.770 -5.859 1.00 0.00 C ATOM 735 CG TYR A 52 5.272 -4.074 -6.652 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.953 -3.292 -7.743 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.591 -4.229 -6.274 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.997 -2.636 -8.488 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.634 -3.574 -7.020 1.00 0.00 C ATOM 740 CZ TYR A 52 7.286 -2.811 -8.090 1.00 0.00 C ATOM 741 OH TYR A 52 8.272 -2.192 -8.794 1.00 0.00 O ATOM 0 H TYR A 52 2.558 -2.472 -6.163 1.00 0.00 H new ATOM 0 HA TYR A 52 3.096 -4.393 -3.981 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.592 -5.614 -5.318 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.432 -5.177 -6.557 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.921 -3.172 -8.038 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.840 -4.841 -5.420 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.762 -2.019 -9.343 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.670 -3.686 -6.736 1.00 0.00 H new ATOM 0 HH TYR A 52 9.142 -2.405 -8.396 1.00 0.00 H new ATOM 751 N ILE A 53 4.932 -2.965 -3.192 1.00 0.00 N ATOM 752 CA ILE A 53 5.868 -2.013 -2.618 1.00 0.00 C ATOM 753 C ILE A 53 7.141 -1.981 -3.468 1.00 0.00 C ATOM 754 O ILE A 53 7.932 -2.921 -3.442 1.00 0.00 O ATOM 755 CB ILE A 53 6.122 -2.332 -1.144 1.00 0.00 C ATOM 756 CG1 ILE A 53 4.855 -2.121 -0.313 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.304 -1.526 -0.603 1.00 0.00 C ATOM 758 CD1 ILE A 53 4.857 -3.018 0.928 1.00 0.00 C ATOM 0 H ILE A 53 4.723 -3.768 -2.599 1.00 0.00 H new ATOM 0 HA ILE A 53 5.446 -1.008 -2.634 1.00 0.00 H new ATOM 0 HB ILE A 53 6.389 -3.386 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.784 -1.076 -0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.977 -2.337 -0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.462 -1.772 0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.201 -1.769 -1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.092 -0.461 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.945 -2.848 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.904 -4.063 0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.723 -2.782 1.546 1.00 0.00 H new ATOM 770 N ALA A 54 7.298 -0.887 -4.199 1.00 0.00 N ATOM 771 CA ALA A 54 8.461 -0.719 -5.054 1.00 0.00 C ATOM 772 C ALA A 54 9.732 -0.870 -4.216 1.00 0.00 C ATOM 773 O ALA A 54 10.582 -1.707 -4.514 1.00 0.00 O ATOM 774 CB ALA A 54 8.384 0.636 -5.759 1.00 0.00 C ATOM 0 H ALA A 54 6.639 -0.108 -4.217 1.00 0.00 H new ATOM 0 HA ALA A 54 8.484 -1.488 -5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.256 0.762 -6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.479 0.680 -6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.362 1.432 -5.015 1.00 0.00 H new ATOM 780 N LYS A 55 9.821 -0.044 -3.182 1.00 0.00 N ATOM 781 CA LYS A 55 10.973 -0.076 -2.299 1.00 0.00 C ATOM 782 C LYS A 55 10.588 0.524 -0.944 1.00 0.00 C ATOM 783 O LYS A 55 9.743 1.415 -0.873 1.00 0.00 O ATOM 784 CB LYS A 55 12.172 0.612 -2.956 1.00 0.00 C ATOM 785 CG LYS A 55 13.198 1.047 -1.908 1.00 0.00 C ATOM 786 CD LYS A 55 14.077 -0.131 -1.481 1.00 0.00 C ATOM 787 CE LYS A 55 15.056 0.286 -0.380 1.00 0.00 C ATOM 788 NZ LYS A 55 16.277 0.879 -0.969 1.00 0.00 N ATOM 0 H LYS A 55 9.114 0.650 -2.938 1.00 0.00 H new ATOM 0 HA LYS A 55 11.285 -1.105 -2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.640 -0.068 -3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.833 1.481 -3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.822 1.843 -2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.684 1.456 -1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.449 -0.947 -1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.630 -0.507 -2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.579 1.006 0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.321 -0.580 0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.930 1.156 -0.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.740 0.181 -1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.021 1.718 -1.528 1.00 0.00 H new ATOM 802 N ILE A 56 11.227 0.010 0.097 1.00 0.00 N ATOM 803 CA ILE A 56 10.962 0.484 1.445 1.00 0.00 C ATOM 804 C ILE A 56 12.084 1.429 1.880 1.00 0.00 C ATOM 805 O ILE A 56 13.232 1.010 2.022 1.00 0.00 O ATOM 806 CB ILE A 56 10.749 -0.697 2.395 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.446 -1.432 2.073 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.805 -0.242 3.855 1.00 0.00 C ATOM 809 CD1 ILE A 56 8.921 -2.178 3.301 1.00 0.00 C ATOM 0 H ILE A 56 11.927 -0.729 0.034 1.00 0.00 H new ATOM 0 HA ILE A 56 10.035 1.057 1.472 1.00 0.00 H new ATOM 0 HB ILE A 56 11.563 -1.406 2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.697 -0.719 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.613 -2.137 1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.651 -1.100 4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.779 0.201 4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.025 0.497 4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.994 -2.692 3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.662 -2.907 3.628 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.732 -1.467 4.105 1.00 0.00 H new ATOM 821 N LEU A 57 11.713 2.685 2.078 1.00 0.00 N ATOM 822 CA LEU A 57 12.675 3.692 2.494 1.00 0.00 C ATOM 823 C LEU A 57 13.587 3.106 3.574 1.00 0.00 C ATOM 824 O LEU A 57 13.163 2.256 4.355 1.00 0.00 O ATOM 825 CB LEU A 57 11.956 4.973 2.924 1.00 0.00 C ATOM 826 CG LEU A 57 11.471 5.882 1.793 1.00 0.00 C ATOM 827 CD1 LEU A 57 12.551 6.893 1.401 1.00 0.00 C ATOM 828 CD2 LEU A 57 10.994 5.059 0.594 1.00 0.00 C ATOM 0 H LEU A 57 10.760 3.029 1.958 1.00 0.00 H new ATOM 0 HA LEU A 57 13.314 3.977 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.097 4.696 3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.628 5.547 3.562 1.00 0.00 H new ATOM 0 HG LEU A 57 10.614 6.450 2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.181 7.527 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.801 7.511 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.442 6.362 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.655 5.729 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.816 4.447 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.171 4.413 0.900 1.00 0.00 H new ATOM 840 N PRO A 58 14.855 3.597 3.583 1.00 0.00 N ATOM 841 CA PRO A 58 15.830 3.131 4.554 1.00 0.00 C ATOM 842 C PRO A 58 15.554 3.724 5.937 1.00 0.00 C ATOM 843 O PRO A 58 15.796 4.907 6.169 1.00 0.00 O ATOM 844 CB PRO A 58 17.178 3.547 3.988 1.00 0.00 C ATOM 845 CG PRO A 58 16.883 4.631 2.964 1.00 0.00 C ATOM 846 CD PRO A 58 15.392 4.604 2.673 1.00 0.00 C ATOM 0 HA PRO A 58 15.791 2.052 4.704 1.00 0.00 H new ATOM 0 HB2 PRO A 58 17.833 3.921 4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.686 2.700 3.526 1.00 0.00 H new ATOM 0 HG2 PRO A 58 17.180 5.608 3.346 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.453 4.459 2.051 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.937 5.579 2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.196 4.343 1.633 1.00 0.00 H new ATOM 854 N GLY A 59 15.050 2.874 6.820 1.00 0.00 N ATOM 855 CA GLY A 59 14.738 3.299 8.174 1.00 0.00 C ATOM 856 C GLY A 59 13.658 4.383 8.173 1.00 0.00 C ATOM 857 O GLY A 59 13.876 5.482 8.680 1.00 0.00 O ATOM 0 H GLY A 59 14.850 1.893 6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.399 2.444 8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.639 3.678 8.657 1.00 0.00 H new ATOM 861 N GLY A 60 12.516 4.035 7.598 1.00 0.00 N ATOM 862 CA GLY A 60 11.402 4.965 7.525 1.00 0.00 C ATOM 863 C GLY A 60 10.231 4.486 8.386 1.00 0.00 C ATOM 864 O GLY A 60 10.427 3.750 9.352 1.00 0.00 O ATOM 0 H GLY A 60 12.338 3.122 7.179 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.724 5.951 7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.078 5.069 6.490 1.00 0.00 H new ATOM 868 N SER A 61 9.040 4.924 8.006 1.00 0.00 N ATOM 869 CA SER A 61 7.838 4.550 8.731 1.00 0.00 C ATOM 870 C SER A 61 7.410 3.134 8.341 1.00 0.00 C ATOM 871 O SER A 61 6.977 2.355 9.189 1.00 0.00 O ATOM 872 CB SER A 61 6.703 5.541 8.465 1.00 0.00 C ATOM 873 OG SER A 61 7.025 6.855 8.911 1.00 0.00 O ATOM 0 H SER A 61 8.882 5.535 7.205 1.00 0.00 H new ATOM 0 HA SER A 61 8.061 4.574 9.798 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.485 5.564 7.397 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.798 5.199 8.968 1.00 0.00 H new ATOM 0 HG SER A 61 6.276 7.458 8.722 1.00 0.00 H new ATOM 879 N ALA A 62 7.545 2.843 7.055 1.00 0.00 N ATOM 880 CA ALA A 62 7.177 1.534 6.540 1.00 0.00 C ATOM 881 C ALA A 62 8.130 0.482 7.110 1.00 0.00 C ATOM 882 O ALA A 62 7.696 -0.586 7.539 1.00 0.00 O ATOM 883 CB ALA A 62 7.190 1.565 5.011 1.00 0.00 C ATOM 0 H ALA A 62 7.904 3.491 6.354 1.00 0.00 H new ATOM 0 HA ALA A 62 6.167 1.268 6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.914 0.584 4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.476 2.308 4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.189 1.825 4.661 1.00 0.00 H new ATOM 889 N GLU A 63 9.411 0.820 7.097 1.00 0.00 N ATOM 890 CA GLU A 63 10.429 -0.083 7.607 1.00 0.00 C ATOM 891 C GLU A 63 10.371 -0.139 9.135 1.00 0.00 C ATOM 892 O GLU A 63 10.836 -1.103 9.742 1.00 0.00 O ATOM 893 CB GLU A 63 11.820 0.331 7.125 1.00 0.00 C ATOM 894 CG GLU A 63 12.847 -0.770 7.402 1.00 0.00 C ATOM 895 CD GLU A 63 12.686 -1.929 6.417 1.00 0.00 C ATOM 896 OE1 GLU A 63 11.636 -2.603 6.501 1.00 0.00 O ATOM 897 OE2 GLU A 63 13.616 -2.117 5.604 1.00 0.00 O ATOM 0 H GLU A 63 9.767 1.707 6.741 1.00 0.00 H new ATOM 0 HA GLU A 63 10.229 -1.082 7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.790 0.545 6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.123 1.251 7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.854 -0.360 7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.728 -1.135 8.422 1.00 0.00 H new ATOM 904 N GLN A 64 9.799 0.907 9.712 1.00 0.00 N ATOM 905 CA GLN A 64 9.675 0.989 11.157 1.00 0.00 C ATOM 906 C GLN A 64 8.828 -0.172 11.684 1.00 0.00 C ATOM 907 O GLN A 64 9.217 -0.846 12.636 1.00 0.00 O ATOM 908 CB GLN A 64 9.085 2.335 11.581 1.00 0.00 C ATOM 909 CG GLN A 64 10.155 3.231 12.207 1.00 0.00 C ATOM 910 CD GLN A 64 9.701 3.762 13.568 1.00 0.00 C ATOM 911 OE1 GLN A 64 8.988 4.747 13.672 1.00 0.00 O ATOM 912 NE2 GLN A 64 10.150 3.057 14.601 1.00 0.00 N ATOM 0 H GLN A 64 9.416 1.705 9.205 1.00 0.00 H new ATOM 0 HA GLN A 64 10.671 0.913 11.593 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.649 2.834 10.715 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.278 2.173 12.295 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.082 2.669 12.323 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.370 4.066 11.540 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.743 2.243 14.443 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.901 3.330 15.552 1.00 0.00 H new ATOM 921 N THR A 65 7.685 -0.367 11.042 1.00 0.00 N ATOM 922 CA THR A 65 6.780 -1.435 11.435 1.00 0.00 C ATOM 923 C THR A 65 7.547 -2.746 11.612 1.00 0.00 C ATOM 924 O THR A 65 7.400 -3.424 12.629 1.00 0.00 O ATOM 925 CB THR A 65 5.667 -1.519 10.388 1.00 0.00 C ATOM 926 OG1 THR A 65 6.359 -1.735 9.162 1.00 0.00 O ATOM 927 CG2 THR A 65 4.954 -0.180 10.183 1.00 0.00 C ATOM 0 H THR A 65 7.365 0.195 10.254 1.00 0.00 H new ATOM 0 HA THR A 65 6.322 -1.230 12.403 1.00 0.00 H new ATOM 0 HB THR A 65 4.941 -2.274 10.690 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.659 -0.875 8.800 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.174 -0.295 9.430 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.507 0.142 11.123 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.673 0.568 9.849 1.00 0.00 H new ATOM 935 N GLY A 66 8.350 -3.066 10.608 1.00 0.00 N ATOM 936 CA GLY A 66 9.141 -4.284 10.641 1.00 0.00 C ATOM 937 C GLY A 66 8.542 -5.351 9.720 1.00 0.00 C ATOM 938 O GLY A 66 9.259 -5.972 8.937 1.00 0.00 O ATOM 0 H GLY A 66 8.470 -2.502 9.766 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.164 -4.066 10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.188 -4.664 11.662 1.00 0.00 H new ATOM 942 N LYS A 67 7.236 -5.529 9.846 1.00 0.00 N ATOM 943 CA LYS A 67 6.533 -6.508 9.035 1.00 0.00 C ATOM 944 C LYS A 67 6.683 -6.143 7.556 1.00 0.00 C ATOM 945 O LYS A 67 7.195 -6.934 6.766 1.00 0.00 O ATOM 946 CB LYS A 67 5.080 -6.640 9.492 1.00 0.00 C ATOM 947 CG LYS A 67 4.891 -7.874 10.375 1.00 0.00 C ATOM 948 CD LYS A 67 4.174 -7.513 11.677 1.00 0.00 C ATOM 949 CE LYS A 67 3.667 -8.769 12.391 1.00 0.00 C ATOM 950 NZ LYS A 67 2.191 -8.743 12.498 1.00 0.00 N ATOM 0 H LYS A 67 6.646 -5.012 10.498 1.00 0.00 H new ATOM 0 HA LYS A 67 6.974 -7.496 9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.786 -5.746 10.043 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.427 -6.708 8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.316 -8.627 9.836 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.861 -8.316 10.601 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.854 -6.968 12.332 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.337 -6.849 11.463 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.982 -9.658 11.844 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.109 -8.833 13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.863 -9.602 12.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.897 -7.905 13.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.775 -8.704 11.546 1.00 0.00 H new ATOM 964 N LEU A 68 6.225 -4.944 7.228 1.00 0.00 N ATOM 965 CA LEU A 68 6.301 -4.463 5.859 1.00 0.00 C ATOM 966 C LEU A 68 7.657 -4.849 5.262 1.00 0.00 C ATOM 967 O LEU A 68 8.696 -4.637 5.884 1.00 0.00 O ATOM 968 CB LEU A 68 6.008 -2.963 5.799 1.00 0.00 C ATOM 969 CG LEU A 68 4.530 -2.568 5.780 1.00 0.00 C ATOM 970 CD1 LEU A 68 3.880 -2.942 4.447 1.00 0.00 C ATOM 971 CD2 LEU A 68 3.785 -3.176 6.971 1.00 0.00 C ATOM 0 H LEU A 68 5.800 -4.291 7.887 1.00 0.00 H new ATOM 0 HA LEU A 68 5.535 -4.938 5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.480 -2.486 6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.484 -2.555 4.907 1.00 0.00 H new ATOM 0 HG LEU A 68 4.465 -1.484 5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.830 -2.650 4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.391 -2.424 3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.956 -4.019 4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.737 -2.880 6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.857 -4.263 6.929 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.230 -2.819 7.900 1.00 0.00 H new ATOM 983 N MET A 69 7.601 -5.408 4.062 1.00 0.00 N ATOM 984 CA MET A 69 8.812 -5.825 3.374 1.00 0.00 C ATOM 985 C MET A 69 8.755 -5.455 1.891 1.00 0.00 C ATOM 986 O MET A 69 7.675 -5.237 1.343 1.00 0.00 O ATOM 987 CB MET A 69 8.985 -7.338 3.517 1.00 0.00 C ATOM 988 CG MET A 69 9.436 -7.707 4.932 1.00 0.00 C ATOM 989 SD MET A 69 11.174 -8.115 4.931 1.00 0.00 S ATOM 990 CE MET A 69 11.870 -6.505 5.265 1.00 0.00 C ATOM 0 H MET A 69 6.737 -5.582 3.549 1.00 0.00 H new ATOM 0 HA MET A 69 9.660 -5.309 3.825 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.044 -7.838 3.289 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.718 -7.694 2.793 1.00 0.00 H new ATOM 0 HG2 MET A 69 9.250 -6.875 5.611 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.855 -8.553 5.299 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.913 -6.614 5.561 1.00 0.00 H new ATOM 0 HE2 MET A 69 11.810 -5.889 4.368 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.312 -6.028 6.071 1.00 0.00 H new ATOM 1000 N GLU A 70 9.929 -5.398 1.282 1.00 0.00 N ATOM 1001 CA GLU A 70 10.027 -5.058 -0.127 1.00 0.00 C ATOM 1002 C GLU A 70 9.495 -6.206 -0.987 1.00 0.00 C ATOM 1003 O GLU A 70 9.477 -7.356 -0.552 1.00 0.00 O ATOM 1004 CB GLU A 70 11.467 -4.709 -0.509 1.00 0.00 C ATOM 1005 CG GLU A 70 11.966 -3.497 0.281 1.00 0.00 C ATOM 1006 CD GLU A 70 13.346 -3.767 0.885 1.00 0.00 C ATOM 1007 OE1 GLU A 70 14.268 -4.043 0.090 1.00 0.00 O ATOM 1008 OE2 GLU A 70 13.445 -3.689 2.129 1.00 0.00 O ATOM 0 H GLU A 70 10.822 -5.582 1.739 1.00 0.00 H new ATOM 0 HA GLU A 70 9.414 -4.176 -0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.115 -5.564 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.523 -4.499 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.015 -2.627 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.258 -3.259 1.075 1.00 0.00 H new ATOM 1015 N GLY A 71 9.073 -5.854 -2.193 1.00 0.00 N ATOM 1016 CA GLY A 71 8.541 -6.839 -3.118 1.00 0.00 C ATOM 1017 C GLY A 71 7.276 -7.492 -2.557 1.00 0.00 C ATOM 1018 O GLY A 71 7.011 -8.664 -2.815 1.00 0.00 O ATOM 0 H GLY A 71 9.089 -4.899 -2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.316 -6.363 -4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.293 -7.603 -3.313 1.00 0.00 H new ATOM 1022 N MET A 72 6.528 -6.703 -1.799 1.00 0.00 N ATOM 1023 CA MET A 72 5.297 -7.188 -1.199 1.00 0.00 C ATOM 1024 C MET A 72 4.074 -6.618 -1.919 1.00 0.00 C ATOM 1025 O MET A 72 3.900 -5.402 -1.988 1.00 0.00 O ATOM 1026 CB MET A 72 5.255 -6.786 0.277 1.00 0.00 C ATOM 1027 CG MET A 72 6.031 -7.783 1.139 1.00 0.00 C ATOM 1028 SD MET A 72 4.912 -8.979 1.848 1.00 0.00 S ATOM 1029 CE MET A 72 4.983 -8.491 3.564 1.00 0.00 C ATOM 0 H MET A 72 6.751 -5.731 -1.587 1.00 0.00 H new ATOM 0 HA MET A 72 5.274 -8.274 -1.289 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.678 -5.789 0.398 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.220 -6.736 0.615 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.783 -8.290 0.535 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.562 -7.255 1.931 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.107 -8.874 4.088 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.886 -8.897 4.021 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.999 -7.403 3.633 1.00 0.00 H new ATOM 1039 N GLN A 73 3.257 -7.523 -2.438 1.00 0.00 N ATOM 1040 CA GLN A 73 2.055 -7.126 -3.152 1.00 0.00 C ATOM 1041 C GLN A 73 1.028 -6.545 -2.178 1.00 0.00 C ATOM 1042 O GLN A 73 0.507 -7.259 -1.321 1.00 0.00 O ATOM 1043 CB GLN A 73 1.466 -8.302 -3.933 1.00 0.00 C ATOM 1044 CG GLN A 73 0.111 -7.934 -4.540 1.00 0.00 C ATOM 1045 CD GLN A 73 -0.479 -9.110 -5.319 1.00 0.00 C ATOM 1046 OE1 GLN A 73 0.189 -10.086 -5.622 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -1.764 -8.965 -5.627 1.00 0.00 N ATOM 0 H GLN A 73 3.404 -8.531 -2.378 1.00 0.00 H new ATOM 0 HA GLN A 73 2.323 -6.353 -3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.154 -8.599 -4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.351 -9.161 -3.272 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.577 -7.636 -3.749 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.226 -7.076 -5.202 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.265 -8.123 -5.343 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.249 -9.696 -6.147 1.00 0.00 H new ATOM 1056 N VAL A 74 0.768 -5.257 -2.341 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.188 -4.572 -1.487 1.00 0.00 C ATOM 1058 C VAL A 74 -1.604 -4.825 -2.008 1.00 0.00 C ATOM 1059 O VAL A 74 -1.978 -4.322 -3.066 1.00 0.00 O ATOM 1060 CB VAL A 74 0.160 -3.085 -1.398 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -0.650 -2.397 -0.297 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.662 -2.885 -1.180 1.00 0.00 C ATOM 0 H VAL A 74 1.203 -4.669 -3.052 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.141 -4.964 -0.471 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.105 -2.622 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.383 -1.341 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.714 -2.494 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.431 -2.865 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.882 -1.819 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.963 -3.370 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.212 -3.323 -2.013 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.354 -5.602 -1.241 1.00 0.00 N ATOM 1073 CA LEU A 75 -3.720 -5.928 -1.612 1.00 0.00 C ATOM 1074 C LEU A 75 -4.566 -4.653 -1.593 1.00 0.00 C ATOM 1075 O LEU A 75 -5.146 -4.273 -2.609 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.268 -7.042 -0.719 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.420 -8.313 -0.637 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.674 -9.058 0.675 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.653 -9.207 -1.857 1.00 0.00 C ATOM 0 H LEU A 75 -2.041 -6.016 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.755 -6.321 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.391 -6.645 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.261 -7.314 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.369 -8.023 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.059 -9.957 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.418 -8.413 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.726 -9.336 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.038 -10.103 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.704 -9.491 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.382 -8.664 -2.763 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.610 -4.028 -0.426 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.376 -2.803 -0.261 1.00 0.00 C ATOM 1093 C GLU A 76 -4.592 -1.797 0.584 1.00 0.00 C ATOM 1094 O GLU A 76 -3.660 -2.170 1.293 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.744 -3.091 0.360 1.00 0.00 C ATOM 1096 CG GLU A 76 -7.583 -3.987 -0.554 1.00 0.00 C ATOM 1097 CD GLU A 76 -8.023 -5.257 0.176 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -7.162 -5.841 0.870 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -9.212 -5.616 0.026 1.00 0.00 O ATOM 0 H GLU A 76 -4.128 -4.346 0.415 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.545 -2.368 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.613 -3.574 1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.271 -2.154 0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.460 -3.440 -0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.004 -4.254 -1.438 1.00 0.00 H new ATOM 1106 N TRP A 77 -4.999 -0.541 0.479 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.347 0.523 1.223 1.00 0.00 C ATOM 1108 C TRP A 77 -5.432 1.448 1.776 1.00 0.00 C ATOM 1109 O TRP A 77 -6.096 2.155 1.018 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.324 1.255 0.352 1.00 0.00 C ATOM 1111 CG TRP A 77 -2.707 2.486 1.019 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.168 3.744 1.015 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.488 2.525 1.791 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -2.339 4.588 1.727 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.286 3.824 2.213 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.587 1.498 2.123 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.188 4.214 2.989 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.504 1.905 2.899 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.723 3.208 3.331 1.00 0.00 C ATOM 0 H TRP A 77 -5.773 -0.236 -0.111 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.778 0.115 2.059 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.527 0.561 0.085 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -3.805 1.561 -0.577 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.074 4.058 0.518 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -2.475 5.589 1.870 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.726 0.476 1.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.051 5.237 3.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.227 1.154 3.182 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.592 3.443 3.928 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.581 1.414 3.092 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.574 2.241 3.755 1.00 0.00 C ATOM 1132 C ASN A 78 -7.973 1.745 3.384 1.00 0.00 C ATOM 1133 O ASN A 78 -8.924 2.526 3.348 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.459 3.701 3.315 1.00 0.00 C ATOM 1135 CG ASN A 78 -5.960 4.583 4.461 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -6.166 4.300 5.630 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -5.293 5.662 4.064 1.00 0.00 N ATOM 0 H ASN A 78 -5.030 0.826 3.717 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.405 2.174 4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.775 3.777 2.469 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.430 4.059 2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.918 6.312 4.754 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.156 5.840 3.069 1.00 0.00 H new ATOM 1144 N GLY A 79 -8.056 0.450 3.119 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.323 -0.160 2.753 1.00 0.00 C ATOM 1146 C GLY A 79 -9.528 -0.130 1.237 1.00 0.00 C ATOM 1147 O GLY A 79 -9.948 -1.123 0.643 1.00 0.00 O ATOM 0 H GLY A 79 -7.266 -0.194 3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.350 -1.191 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.140 0.368 3.245 1.00 0.00 H new ATOM 1151 N ILE A 80 -9.222 1.019 0.653 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.367 1.191 -0.783 1.00 0.00 C ATOM 1153 C ILE A 80 -8.499 0.160 -1.506 1.00 0.00 C ATOM 1154 O ILE A 80 -7.305 0.047 -1.233 1.00 0.00 O ATOM 1155 CB ILE A 80 -9.065 2.637 -1.182 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -9.847 3.621 -0.311 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -9.325 2.860 -2.673 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -8.981 4.150 0.834 1.00 0.00 C ATOM 0 H ILE A 80 -8.874 1.840 1.148 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.398 1.009 -1.086 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.005 2.825 -1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.197 4.454 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.731 3.129 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.103 3.896 -2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.687 2.196 -3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.371 2.647 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.562 4.848 1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.653 3.318 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.110 4.662 0.425 1.00 0.00 H new ATOM 1170 N PRO A 81 -9.150 -0.588 -2.438 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.451 -1.606 -3.202 1.00 0.00 C ATOM 1172 C PRO A 81 -7.565 -0.973 -4.277 1.00 0.00 C ATOM 1173 O PRO A 81 -7.939 0.030 -4.882 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.547 -2.487 -3.778 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.824 -1.666 -3.703 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.564 -0.481 -2.787 1.00 0.00 C ATOM 0 HA PRO A 81 -7.766 -2.194 -2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.323 -2.767 -4.807 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.644 -3.412 -3.210 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.117 -1.324 -4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.645 -2.272 -3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.778 0.463 -3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.195 -0.520 -1.899 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.409 -1.586 -4.483 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.466 -1.095 -5.474 1.00 0.00 C ATOM 1186 C LEU A 82 -5.486 -2.022 -6.691 1.00 0.00 C ATOM 1187 O LEU A 82 -5.324 -1.568 -7.823 1.00 0.00 O ATOM 1188 CB LEU A 82 -4.079 -0.922 -4.855 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.994 0.017 -3.649 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.612 -0.054 -2.995 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.371 1.447 -4.040 1.00 0.00 C ATOM 0 H LEU A 82 -6.103 -2.419 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.759 -0.104 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.713 -1.903 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.402 -0.553 -5.626 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.719 -0.315 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.578 0.623 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.421 -1.073 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.851 0.238 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.302 2.094 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.688 1.805 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.391 1.462 -4.423 1.00 0.00 H new ATOM 1203 N THR A 83 -5.684 -3.302 -6.417 1.00 0.00 N ATOM 1204 CA THR A 83 -5.727 -4.297 -7.476 1.00 0.00 C ATOM 1205 C THR A 83 -6.761 -3.906 -8.534 1.00 0.00 C ATOM 1206 O THR A 83 -7.906 -3.601 -8.204 1.00 0.00 O ATOM 1207 CB THR A 83 -5.998 -5.659 -6.835 1.00 0.00 C ATOM 1208 OG1 THR A 83 -4.792 -5.961 -6.137 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.120 -6.780 -7.870 1.00 0.00 C ATOM 0 H THR A 83 -5.817 -3.674 -5.477 1.00 0.00 H new ATOM 0 HA THR A 83 -4.775 -4.354 -8.003 1.00 0.00 H new ATOM 0 HB THR A 83 -6.914 -5.607 -6.247 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.881 -6.829 -5.690 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.312 -7.725 -7.362 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.943 -6.560 -8.550 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.192 -6.855 -8.436 1.00 0.00 H new ATOM 1217 N SER A 84 -6.321 -3.928 -9.783 1.00 0.00 N ATOM 1218 CA SER A 84 -7.194 -3.580 -10.890 1.00 0.00 C ATOM 1219 C SER A 84 -7.204 -2.063 -11.092 1.00 0.00 C ATOM 1220 O SER A 84 -8.211 -1.496 -11.513 1.00 0.00 O ATOM 1221 CB SER A 84 -8.616 -4.093 -10.654 1.00 0.00 C ATOM 1222 OG SER A 84 -9.292 -4.375 -11.876 1.00 0.00 O ATOM 0 H SER A 84 -5.371 -4.182 -10.053 1.00 0.00 H new ATOM 0 HA SER A 84 -6.810 -4.058 -11.791 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.579 -4.995 -10.044 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.181 -3.350 -10.091 1.00 0.00 H new ATOM 0 HG SER A 84 -10.196 -4.701 -11.682 1.00 0.00 H new ATOM 1228 N LYS A 85 -6.071 -1.450 -10.782 1.00 0.00 N ATOM 1229 CA LYS A 85 -5.937 -0.009 -10.925 1.00 0.00 C ATOM 1230 C LYS A 85 -4.652 0.306 -11.692 1.00 0.00 C ATOM 1231 O LYS A 85 -3.943 -0.603 -12.123 1.00 0.00 O ATOM 1232 CB LYS A 85 -6.021 0.674 -9.558 1.00 0.00 C ATOM 1233 CG LYS A 85 -7.262 0.214 -8.791 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.476 1.075 -9.145 1.00 0.00 C ATOM 1235 CE LYS A 85 -9.136 1.637 -7.885 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.608 1.678 -8.044 1.00 0.00 N ATOM 0 H LYS A 85 -5.238 -1.924 -10.433 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.764 0.395 -11.509 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.126 0.447 -8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.050 1.756 -9.689 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.472 -0.830 -9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.073 0.269 -7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.168 1.894 -9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.198 0.479 -9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.874 1.021 -7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.758 2.640 -7.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.040 2.062 -7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.853 2.285 -8.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.966 0.716 -8.212 1.00 0.00 H new ATOM 1250 N THR A 86 -4.389 1.596 -11.840 1.00 0.00 N ATOM 1251 CA THR A 86 -3.202 2.041 -12.548 1.00 0.00 C ATOM 1252 C THR A 86 -2.202 2.665 -11.571 1.00 0.00 C ATOM 1253 O THR A 86 -2.594 3.350 -10.629 1.00 0.00 O ATOM 1254 CB THR A 86 -3.644 2.997 -13.658 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.342 4.031 -12.969 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.702 2.380 -14.575 1.00 0.00 C ATOM 0 H THR A 86 -4.978 2.347 -11.481 1.00 0.00 H new ATOM 0 HA THR A 86 -2.679 1.204 -13.010 1.00 0.00 H new ATOM 0 HB THR A 86 -2.777 3.291 -14.250 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.142 4.281 -13.477 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.981 3.100 -15.345 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.298 1.484 -15.045 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.582 2.116 -13.989 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.929 2.405 -11.833 1.00 0.00 N ATOM 1265 CA TYR A 87 0.130 2.932 -10.989 1.00 0.00 C ATOM 1266 C TYR A 87 -0.194 4.354 -10.524 1.00 0.00 C ATOM 1267 O TYR A 87 0.116 4.728 -9.395 1.00 0.00 O ATOM 1268 CB TYR A 87 1.386 2.968 -11.862 1.00 0.00 C ATOM 1269 CG TYR A 87 2.650 3.401 -11.115 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.868 4.736 -10.844 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.573 2.456 -10.715 1.00 0.00 C ATOM 1272 CE1 TYR A 87 4.057 5.143 -10.142 1.00 0.00 C ATOM 1273 CE2 TYR A 87 4.762 2.863 -10.013 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.946 4.186 -9.761 1.00 0.00 C ATOM 1275 OH TYR A 87 6.070 4.571 -9.098 1.00 0.00 O ATOM 0 H TYR A 87 -0.608 1.837 -12.617 1.00 0.00 H new ATOM 0 HA TYR A 87 0.255 2.314 -10.100 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.549 1.978 -12.288 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.217 3.650 -12.696 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.147 5.476 -11.159 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.403 1.411 -10.929 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.239 6.185 -9.923 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.492 2.133 -9.694 1.00 0.00 H new ATOM 0 HH TYR A 87 5.883 5.382 -8.580 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.815 5.108 -11.420 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.185 6.479 -11.117 1.00 0.00 C ATOM 1287 C GLU A 88 -2.317 6.509 -10.088 1.00 0.00 C ATOM 1288 O GLU A 88 -2.122 6.956 -8.958 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.581 7.235 -12.387 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.452 8.157 -12.851 1.00 0.00 C ATOM 1291 CD GLU A 88 -0.795 9.623 -12.577 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -0.643 10.032 -11.405 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -1.201 10.301 -13.544 1.00 0.00 O ATOM 0 H GLU A 88 -1.071 4.794 -12.356 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.317 6.981 -10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.823 6.524 -13.177 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.481 7.821 -12.200 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.472 7.894 -12.337 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.276 8.014 -13.917 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.475 6.025 -10.514 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.637 5.991 -9.643 1.00 0.00 C ATOM 1302 C GLU A 89 -4.233 5.547 -8.236 1.00 0.00 C ATOM 1303 O GLU A 89 -4.442 6.277 -7.267 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.724 5.077 -10.215 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.285 5.643 -11.521 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.178 4.618 -12.223 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -8.292 4.387 -11.706 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -6.725 4.090 -13.262 1.00 0.00 O ATOM 0 H GLU A 89 -3.633 5.653 -11.451 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.050 6.998 -9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.312 4.083 -10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.528 4.964 -9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.857 6.548 -11.314 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.465 5.928 -12.180 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.662 4.354 -8.167 1.00 0.00 N ATOM 1316 CA VAL A 90 -3.227 3.804 -6.894 1.00 0.00 C ATOM 1317 C VAL A 90 -2.602 4.918 -6.050 1.00 0.00 C ATOM 1318 O VAL A 90 -3.094 5.230 -4.966 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.277 2.628 -7.129 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.672 2.140 -5.811 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.988 1.489 -7.861 1.00 0.00 C ATOM 0 H VAL A 90 -3.490 3.752 -8.972 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.077 3.411 -6.337 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.461 2.977 -7.763 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.001 1.304 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.114 2.952 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.470 1.816 -5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.291 0.665 -8.016 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.832 1.143 -7.264 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.349 1.846 -8.826 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.528 5.485 -6.579 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.832 6.557 -5.888 1.00 0.00 C ATOM 1333 C GLN A 91 -1.834 7.476 -5.186 1.00 0.00 C ATOM 1334 O GLN A 91 -1.837 7.577 -3.960 1.00 0.00 O ATOM 1335 CB GLN A 91 0.054 7.347 -6.853 1.00 0.00 C ATOM 1336 CG GLN A 91 1.463 7.524 -6.285 1.00 0.00 C ATOM 1337 CD GLN A 91 1.662 8.940 -5.741 1.00 0.00 C ATOM 1338 OE1 GLN A 91 0.996 9.883 -6.135 1.00 0.00 O ATOM 1339 NE2 GLN A 91 2.615 9.037 -4.817 1.00 0.00 N ATOM 0 H GLN A 91 -1.123 5.223 -7.478 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.184 6.114 -5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.107 6.829 -7.811 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.390 8.324 -7.043 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.632 6.798 -5.490 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.200 7.322 -7.062 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.135 8.207 -4.532 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.825 9.941 -4.394 1.00 0.00 H new ATOM 1348 N SER A 92 -2.660 8.123 -5.994 1.00 0.00 N ATOM 1349 CA SER A 92 -3.665 9.030 -5.466 1.00 0.00 C ATOM 1350 C SER A 92 -4.284 8.444 -4.196 1.00 0.00 C ATOM 1351 O SER A 92 -4.284 9.087 -3.147 1.00 0.00 O ATOM 1352 CB SER A 92 -4.753 9.313 -6.504 1.00 0.00 C ATOM 1353 OG SER A 92 -4.511 10.524 -7.214 1.00 0.00 O ATOM 0 H SER A 92 -2.654 8.037 -7.010 1.00 0.00 H new ATOM 0 HA SER A 92 -3.178 9.974 -5.223 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.806 8.484 -7.209 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.722 9.371 -6.007 1.00 0.00 H new ATOM 0 HG SER A 92 -5.226 10.668 -7.868 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.796 7.229 -4.331 1.00 0.00 N ATOM 1360 CA ILE A 93 -5.416 6.549 -3.206 1.00 0.00 C ATOM 1361 C ILE A 93 -4.467 6.587 -2.006 1.00 0.00 C ATOM 1362 O ILE A 93 -4.898 6.825 -0.879 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.845 5.135 -3.606 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -7.169 5.160 -4.372 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.906 4.215 -2.385 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -7.467 3.796 -4.996 1.00 0.00 C ATOM 0 H ILE A 93 -4.794 6.698 -5.202 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.330 7.063 -2.907 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.091 4.727 -4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.978 5.440 -3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.127 5.920 -5.153 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.213 3.217 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.922 4.163 -1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.626 4.609 -1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.414 3.841 -5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.668 3.530 -5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.532 3.043 -4.211 1.00 0.00 H new ATOM 1378 N ILE A 94 -3.195 6.351 -2.290 1.00 0.00 N ATOM 1379 CA ILE A 94 -2.183 6.356 -1.248 1.00 0.00 C ATOM 1380 C ILE A 94 -1.895 7.799 -0.829 1.00 0.00 C ATOM 1381 O ILE A 94 -2.031 8.148 0.342 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.940 5.588 -1.704 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -1.308 4.506 -2.722 1.00 0.00 C ATOM 1384 CG2 ILE A 94 -0.179 5.015 -0.506 1.00 0.00 C ATOM 1385 CD1 ILE A 94 -0.364 3.307 -2.611 1.00 0.00 C ATOM 0 H ILE A 94 -2.842 6.155 -3.227 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.545 5.833 -0.363 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.270 6.287 -2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.335 4.181 -2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.261 4.918 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.700 4.474 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.134 5.828 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.828 4.334 0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.647 2.552 -3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.659 3.631 -2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.431 2.882 -1.609 1.00 0.00 H new ATOM 1397 N SER A 95 -1.503 8.598 -1.810 1.00 0.00 N ATOM 1398 CA SER A 95 -1.194 9.996 -1.557 1.00 0.00 C ATOM 1399 C SER A 95 -2.471 10.757 -1.200 1.00 0.00 C ATOM 1400 O SER A 95 -2.885 11.659 -1.928 1.00 0.00 O ATOM 1401 CB SER A 95 -0.514 10.637 -2.769 1.00 0.00 C ATOM 1402 OG SER A 95 0.455 11.609 -2.386 1.00 0.00 O ATOM 0 H SER A 95 -1.392 8.305 -2.781 1.00 0.00 H new ATOM 0 HA SER A 95 -0.502 10.048 -0.717 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.034 9.862 -3.367 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.268 11.106 -3.401 1.00 0.00 H new ATOM 0 HG SER A 95 0.867 11.994 -3.188 1.00 0.00 H new ATOM 1408 N GLN A 96 -3.062 10.367 -0.080 1.00 0.00 N ATOM 1409 CA GLN A 96 -4.284 11.001 0.382 1.00 0.00 C ATOM 1410 C GLN A 96 -4.744 10.373 1.700 1.00 0.00 C ATOM 1411 O GLN A 96 -5.669 9.563 1.716 1.00 0.00 O ATOM 1412 CB GLN A 96 -5.383 10.915 -0.679 1.00 0.00 C ATOM 1413 CG GLN A 96 -5.609 12.272 -1.346 1.00 0.00 C ATOM 1414 CD GLN A 96 -6.743 13.038 -0.660 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -6.528 13.959 0.111 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -7.959 12.606 -0.981 1.00 0.00 N ATOM 0 H GLN A 96 -2.716 9.619 0.521 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.077 12.057 0.558 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.109 10.177 -1.433 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.310 10.573 -0.220 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.692 12.859 -1.304 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.848 12.128 -2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.069 11.830 -1.633 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.782 13.051 -0.575 1.00 0.00 H new ATOM 1425 N GLN A 97 -4.075 10.770 2.773 1.00 0.00 N ATOM 1426 CA GLN A 97 -4.402 10.255 4.091 1.00 0.00 C ATOM 1427 C GLN A 97 -4.335 11.376 5.130 1.00 0.00 C ATOM 1428 O GLN A 97 -3.753 12.429 4.876 1.00 0.00 O ATOM 1429 CB GLN A 97 -3.478 9.098 4.473 1.00 0.00 C ATOM 1430 CG GLN A 97 -2.040 9.584 4.662 1.00 0.00 C ATOM 1431 CD GLN A 97 -1.247 9.468 3.359 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -0.900 10.452 2.724 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -0.981 8.218 2.997 1.00 0.00 N ATOM 0 H GLN A 97 -3.308 11.442 2.756 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.421 9.869 4.066 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.832 8.633 5.393 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.508 8.333 3.697 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.044 10.621 4.999 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.554 8.998 5.442 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.301 7.441 3.575 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.457 8.035 2.141 1.00 0.00 H new ATOM 1442 N SER A 98 -4.941 11.112 6.279 1.00 0.00 N ATOM 1443 CA SER A 98 -4.957 12.086 7.358 1.00 0.00 C ATOM 1444 C SER A 98 -4.136 11.570 8.540 1.00 0.00 C ATOM 1445 O SER A 98 -4.686 11.266 9.597 1.00 0.00 O ATOM 1446 CB SER A 98 -6.389 12.394 7.800 1.00 0.00 C ATOM 1447 OG SER A 98 -6.827 13.670 7.342 1.00 0.00 O ATOM 0 H SER A 98 -5.424 10.238 6.486 1.00 0.00 H new ATOM 0 HA SER A 98 -4.512 13.011 6.991 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.059 11.623 7.420 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.448 12.360 8.888 1.00 0.00 H new ATOM 0 HG SER A 98 -7.746 13.828 7.643 1.00 0.00 H new ATOM 1453 N GLY A 99 -2.831 11.487 8.323 1.00 0.00 N ATOM 1454 CA GLY A 99 -1.928 11.013 9.358 1.00 0.00 C ATOM 1455 C GLY A 99 -2.154 9.528 9.645 1.00 0.00 C ATOM 1456 O GLY A 99 -3.178 9.150 10.211 1.00 0.00 O ATOM 0 H GLY A 99 -2.378 11.740 7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.896 11.174 9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.079 11.590 10.270 1.00 0.00 H new ATOM 1460 N GLU A 100 -1.180 8.725 9.241 1.00 0.00 N ATOM 1461 CA GLU A 100 -1.260 7.289 9.446 1.00 0.00 C ATOM 1462 C GLU A 100 -2.250 6.666 8.461 1.00 0.00 C ATOM 1463 O GLU A 100 -3.223 7.306 8.063 1.00 0.00 O ATOM 1464 CB GLU A 100 -1.646 6.964 10.891 1.00 0.00 C ATOM 1465 CG GLU A 100 -1.283 5.519 11.243 1.00 0.00 C ATOM 1466 CD GLU A 100 -2.225 4.962 12.311 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -2.187 5.501 13.438 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -2.964 4.010 11.977 1.00 0.00 O ATOM 0 H GLU A 100 -0.331 9.042 8.773 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.276 6.859 9.261 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.136 7.647 11.570 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.716 7.118 11.029 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.335 4.899 10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.255 5.476 11.602 1.00 0.00 H new ATOM 1475 N ALA A 101 -1.968 5.424 8.095 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.822 4.707 7.162 1.00 0.00 C ATOM 1477 C ALA A 101 -2.674 3.202 7.397 1.00 0.00 C ATOM 1478 O ALA A 101 -1.710 2.758 8.020 1.00 0.00 O ATOM 1479 CB ALA A 101 -2.467 5.111 5.730 1.00 0.00 C ATOM 0 H ALA A 101 -1.161 4.896 8.427 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.869 4.965 7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.107 4.573 5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.616 6.184 5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.424 4.864 5.530 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.644 2.457 6.885 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.634 1.012 7.031 1.00 0.00 C ATOM 1487 C GLU A 102 -3.253 0.348 5.707 1.00 0.00 C ATOM 1488 O GLU A 102 -3.760 0.724 4.652 1.00 0.00 O ATOM 1489 CB GLU A 102 -4.987 0.502 7.532 1.00 0.00 C ATOM 1490 CG GLU A 102 -4.861 -0.099 8.934 1.00 0.00 C ATOM 1491 CD GLU A 102 -5.673 0.706 9.951 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -6.916 0.579 9.913 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -5.032 1.430 10.743 1.00 0.00 O ATOM 0 H GLU A 102 -4.442 2.828 6.369 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.885 0.746 7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.706 1.321 7.547 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.374 -0.249 6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.207 -1.132 8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.813 -0.117 9.233 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.365 -0.631 5.806 1.00 0.00 N ATOM 1501 CA ILE A 103 -1.911 -1.351 4.629 1.00 0.00 C ATOM 1502 C ILE A 103 -2.247 -2.836 4.784 1.00 0.00 C ATOM 1503 O ILE A 103 -2.337 -3.342 5.901 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.427 -1.080 4.374 1.00 0.00 C ATOM 1505 CG1 ILE A 103 0.094 -1.930 3.213 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.395 -1.286 5.648 1.00 0.00 C ATOM 1507 CD1 ILE A 103 1.393 -1.349 2.649 1.00 0.00 C ATOM 0 H ILE A 103 -1.948 -0.942 6.683 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.433 -0.996 3.741 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.316 -0.035 4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.266 -2.951 3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.659 -1.978 2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.446 -1.087 5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.043 -0.604 6.422 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.282 -2.314 5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.742 -1.971 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.212 -0.337 2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.151 -1.325 3.432 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.425 -3.492 3.646 1.00 0.00 N ATOM 1520 CA CYS A 104 -2.749 -4.907 3.641 1.00 0.00 C ATOM 1521 C CYS A 104 -1.898 -5.592 2.570 1.00 0.00 C ATOM 1522 O CYS A 104 -2.104 -5.374 1.376 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.245 -5.145 3.420 1.00 0.00 C ATOM 1524 SG CYS A 104 -4.617 -6.933 3.524 1.00 0.00 S ATOM 0 H CYS A 104 -2.351 -3.068 2.721 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.520 -5.338 4.616 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.822 -4.601 4.168 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.543 -4.759 2.445 1.00 0.00 H new ATOM 0 HG CYS A 104 -5.889 -7.123 3.337 1.00 0.00 H new ATOM 1530 N VAL A 105 -0.961 -6.406 3.034 1.00 0.00 N ATOM 1531 CA VAL A 105 -0.078 -7.123 2.130 1.00 0.00 C ATOM 1532 C VAL A 105 -0.330 -8.626 2.265 1.00 0.00 C ATOM 1533 O VAL A 105 -1.174 -9.050 3.053 1.00 0.00 O ATOM 1534 CB VAL A 105 1.377 -6.733 2.399 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.625 -5.264 2.048 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.760 -7.023 3.852 1.00 0.00 C ATOM 0 H VAL A 105 -0.794 -6.585 4.024 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.286 -6.850 1.096 1.00 0.00 H new ATOM 0 HB VAL A 105 2.013 -7.342 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.667 -5.013 2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.409 -5.101 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.976 -4.631 2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.799 -6.737 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.115 -6.451 4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.639 -8.087 4.055 1.00 0.00 H new ATOM 1546 N ARG A 106 0.419 -9.392 1.484 1.00 0.00 N ATOM 1547 CA ARG A 106 0.288 -10.838 1.506 1.00 0.00 C ATOM 1548 C ARG A 106 1.615 -11.485 1.909 1.00 0.00 C ATOM 1549 O ARG A 106 2.605 -11.378 1.189 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.137 -11.374 0.138 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.202 -12.902 0.143 1.00 0.00 C ATOM 1552 CD ARG A 106 -0.442 -13.446 -1.267 1.00 0.00 C ATOM 1553 NE ARG A 106 -1.764 -13.003 -1.762 1.00 0.00 N ATOM 1554 CZ ARG A 106 -2.318 -13.427 -2.906 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -1.669 -14.306 -3.680 1.00 0.00 N ATOM 1556 NH2 ARG A 106 -3.523 -12.970 -3.276 1.00 0.00 N ATOM 0 H ARG A 106 1.119 -9.037 0.832 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.480 -11.090 2.237 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.112 -10.966 -0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.568 -11.039 -0.623 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.729 -13.308 0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.002 -13.233 0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.342 -13.097 -1.939 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.394 -14.535 -1.259 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.286 -12.333 -1.197 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.752 -14.653 -3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.092 -14.628 -4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.017 -12.300 -2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.945 -13.292 -4.147 1.00 0.00 H new ATOM 1570 N LEU A 107 1.590 -12.141 3.060 1.00 0.00 N ATOM 1571 CA LEU A 107 2.778 -12.806 3.568 1.00 0.00 C ATOM 1572 C LEU A 107 3.444 -13.588 2.435 1.00 0.00 C ATOM 1573 O LEU A 107 4.554 -13.261 2.017 1.00 0.00 O ATOM 1574 CB LEU A 107 2.433 -13.662 4.788 1.00 0.00 C ATOM 1575 CG LEU A 107 1.498 -13.021 5.815 1.00 0.00 C ATOM 1576 CD1 LEU A 107 1.435 -13.856 7.096 1.00 0.00 C ATOM 1577 CD2 LEU A 107 1.901 -11.572 6.094 1.00 0.00 C ATOM 0 H LEU A 107 0.766 -12.226 3.655 1.00 0.00 H new ATOM 0 HA LEU A 107 3.504 -12.073 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.977 -14.589 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.361 -13.933 5.291 1.00 0.00 H new ATOM 0 HG LEU A 107 0.492 -13.000 5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.764 -13.378 7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.065 -14.854 6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.432 -13.931 7.531 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.220 -11.140 6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.919 -11.546 6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.852 -10.996 5.170 1.00 0.00 H new ATOM 1589 N ASP A 108 2.738 -14.608 1.969 1.00 0.00 N ATOM 1590 CA ASP A 108 3.246 -15.441 0.892 1.00 0.00 C ATOM 1591 C ASP A 108 3.154 -14.672 -0.427 1.00 0.00 C ATOM 1592 O ASP A 108 2.158 -14.773 -1.141 1.00 0.00 O ATOM 1593 CB ASP A 108 2.423 -16.722 0.751 1.00 0.00 C ATOM 1594 CG ASP A 108 3.191 -17.928 0.208 1.00 0.00 C ATOM 1595 OD1 ASP A 108 4.402 -17.760 -0.054 1.00 0.00 O ATOM 1596 OD2 ASP A 108 2.551 -18.994 0.067 1.00 0.00 O ATOM 0 H ASP A 108 1.818 -14.877 2.318 1.00 0.00 H new ATOM 0 HA ASP A 108 4.279 -15.701 1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.012 -16.981 1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.578 -16.522 0.092 1.00 0.00 H new ATOM 1601 N LEU A 109 4.208 -13.920 -0.712 1.00 0.00 N ATOM 1602 CA LEU A 109 4.259 -13.135 -1.933 1.00 0.00 C ATOM 1603 C LEU A 109 5.616 -12.435 -2.028 1.00 0.00 C ATOM 1604 O LEU A 109 6.204 -12.073 -1.011 1.00 0.00 O ATOM 1605 CB LEU A 109 3.067 -12.178 -2.006 1.00 0.00 C ATOM 1606 CG LEU A 109 2.485 -11.936 -3.399 1.00 0.00 C ATOM 1607 CD1 LEU A 109 3.492 -11.215 -4.296 1.00 0.00 C ATOM 1608 CD2 LEU A 109 1.996 -13.244 -4.024 1.00 0.00 C ATOM 0 H LEU A 109 5.033 -13.838 -0.118 1.00 0.00 H new ATOM 0 HA LEU A 109 4.172 -13.783 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.275 -12.566 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.371 -11.218 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 109 1.618 -11.283 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.053 -11.055 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.750 -10.253 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.392 -11.822 -4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.587 -13.043 -5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.830 -13.940 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.222 -13.682 -3.393 1.00 0.00 H new ATOM 1620 N ASN A 110 6.074 -12.265 -3.259 1.00 0.00 N ATOM 1621 CA ASN A 110 7.350 -11.614 -3.501 1.00 0.00 C ATOM 1622 C ASN A 110 7.348 -11.000 -4.901 1.00 0.00 C ATOM 1623 O ASN A 110 6.992 -11.664 -5.874 1.00 0.00 O ATOM 1624 CB ASN A 110 8.503 -12.618 -3.426 1.00 0.00 C ATOM 1625 CG ASN A 110 9.781 -11.950 -2.915 1.00 0.00 C ATOM 1626 OD1 ASN A 110 9.750 -10.987 -2.166 1.00 0.00 O ATOM 1627 ND2 ASN A 110 10.900 -12.512 -3.358 1.00 0.00 N ATOM 0 H ASN A 110 5.584 -12.567 -4.101 1.00 0.00 H new ATOM 0 HA ASN A 110 7.488 -10.848 -2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.230 -13.441 -2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.682 -13.046 -4.412 1.00 0.00 H new ATOM 0 HD21 ASN A 110 11.806 -12.139 -3.073 1.00 0.00 H new ATOM 0 HD22 ASN A 110 10.854 -13.317 -3.983 1.00 0.00 H new ATOM 1634 N MET A 111 7.751 -9.739 -4.960 1.00 0.00 N ATOM 1635 CA MET A 111 7.800 -9.027 -6.226 1.00 0.00 C ATOM 1636 C MET A 111 9.218 -8.537 -6.525 1.00 0.00 C ATOM 1637 O MET A 111 9.883 -7.980 -5.651 1.00 0.00 O ATOM 1638 CB MET A 111 6.845 -7.833 -6.179 1.00 0.00 C ATOM 1639 CG MET A 111 5.412 -8.264 -6.499 1.00 0.00 C ATOM 1640 SD MET A 111 4.711 -7.181 -7.734 1.00 0.00 S ATOM 1641 CE MET A 111 2.974 -7.404 -7.392 1.00 0.00 C ATOM 0 H MET A 111 8.047 -9.192 -4.151 1.00 0.00 H new ATOM 0 HA MET A 111 7.498 -9.712 -7.018 1.00 0.00 H new ATOM 0 HB2 MET A 111 6.879 -7.375 -5.191 1.00 0.00 H new ATOM 0 HB3 MET A 111 7.169 -7.076 -6.893 1.00 0.00 H new ATOM 0 HG2 MET A 111 5.405 -9.293 -6.859 1.00 0.00 H new ATOM 0 HG3 MET A 111 4.805 -8.239 -5.594 1.00 0.00 H new ATOM 0 HE1 MET A 111 2.387 -6.794 -8.079 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.709 -8.453 -7.522 1.00 0.00 H new ATOM 0 HE3 MET A 111 2.763 -7.101 -6.366 1.00 0.00 H new ATOM 1651 N SER A 112 9.640 -8.760 -7.761 1.00 0.00 N ATOM 1652 CA SER A 112 10.967 -8.346 -8.185 1.00 0.00 C ATOM 1653 C SER A 112 10.978 -6.846 -8.483 1.00 0.00 C ATOM 1654 O SER A 112 10.033 -6.319 -9.068 1.00 0.00 O ATOM 1655 CB SER A 112 11.422 -9.135 -9.415 1.00 0.00 C ATOM 1656 OG SER A 112 11.869 -10.444 -9.074 1.00 0.00 O ATOM 0 H SER A 112 9.086 -9.222 -8.483 1.00 0.00 H new ATOM 0 HA SER A 112 11.665 -8.553 -7.374 1.00 0.00 H new ATOM 0 HB2 SER A 112 10.598 -9.207 -10.125 1.00 0.00 H new ATOM 0 HB3 SER A 112 12.227 -8.596 -9.914 1.00 0.00 H new ATOM 0 HG SER A 112 12.149 -10.916 -9.886 1.00 0.00 H new ATOM 1662 N GLY A 113 12.057 -6.200 -8.065 1.00 0.00 N ATOM 1663 CA GLY A 113 12.202 -4.770 -8.279 1.00 0.00 C ATOM 1664 C GLY A 113 13.410 -4.471 -9.169 1.00 0.00 C ATOM 1665 O GLY A 113 14.339 -5.272 -9.253 1.00 0.00 O ATOM 0 H GLY A 113 12.839 -6.640 -7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 113 11.298 -4.374 -8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 113 12.318 -4.265 -7.320 1.00 0.00 H new ATOM 1669 N PRO A 114 13.357 -3.282 -9.829 1.00 0.00 N ATOM 1670 CA PRO A 114 14.434 -2.866 -10.710 1.00 0.00 C ATOM 1671 C PRO A 114 15.652 -2.404 -9.907 1.00 0.00 C ATOM 1672 O PRO A 114 15.512 -1.912 -8.788 1.00 0.00 O ATOM 1673 CB PRO A 114 13.837 -1.763 -11.569 1.00 0.00 C ATOM 1674 CG PRO A 114 12.598 -1.284 -10.830 1.00 0.00 C ATOM 1675 CD PRO A 114 12.273 -2.307 -9.754 1.00 0.00 C ATOM 0 HA PRO A 114 14.806 -3.680 -11.332 1.00 0.00 H new ATOM 0 HB2 PRO A 114 14.548 -0.949 -11.708 1.00 0.00 H new ATOM 0 HB3 PRO A 114 13.581 -2.136 -12.561 1.00 0.00 H new ATOM 0 HG2 PRO A 114 12.774 -0.305 -10.385 1.00 0.00 H new ATOM 0 HG3 PRO A 114 11.760 -1.175 -11.519 1.00 0.00 H new ATOM 0 HD2 PRO A 114 12.225 -1.843 -8.769 1.00 0.00 H new ATOM 0 HD3 PRO A 114 11.306 -2.776 -9.933 1.00 0.00 H new ATOM 1683 N SER A 115 16.819 -2.580 -10.508 1.00 0.00 N ATOM 1684 CA SER A 115 18.060 -2.187 -9.863 1.00 0.00 C ATOM 1685 C SER A 115 18.980 -1.497 -10.873 1.00 0.00 C ATOM 1686 O SER A 115 18.894 -1.753 -12.072 1.00 0.00 O ATOM 1687 CB SER A 115 18.766 -3.396 -9.244 1.00 0.00 C ATOM 1688 OG SER A 115 19.243 -3.120 -7.930 1.00 0.00 O ATOM 0 H SER A 115 16.932 -2.990 -11.435 1.00 0.00 H new ATOM 0 HA SER A 115 17.821 -1.488 -9.061 1.00 0.00 H new ATOM 0 HB2 SER A 115 18.077 -4.240 -9.210 1.00 0.00 H new ATOM 0 HB3 SER A 115 19.601 -3.692 -9.878 1.00 0.00 H new ATOM 0 HG SER A 115 19.686 -3.916 -7.569 1.00 0.00 H new ATOM 1694 N SER A 116 19.838 -0.635 -10.349 1.00 0.00 N ATOM 1695 CA SER A 116 20.772 0.095 -11.190 1.00 0.00 C ATOM 1696 C SER A 116 22.209 -0.197 -10.751 1.00 0.00 C ATOM 1697 O SER A 116 23.009 -0.705 -11.535 1.00 0.00 O ATOM 1698 CB SER A 116 20.498 1.599 -11.141 1.00 0.00 C ATOM 1699 OG SER A 116 21.440 2.339 -11.915 1.00 0.00 O ATOM 0 H SER A 116 19.907 -0.425 -9.353 1.00 0.00 H new ATOM 0 HA SER A 116 20.638 -0.238 -12.219 1.00 0.00 H new ATOM 0 HB2 SER A 116 19.491 1.796 -11.509 1.00 0.00 H new ATOM 0 HB3 SER A 116 20.531 1.940 -10.106 1.00 0.00 H new ATOM 0 HG SER A 116 21.230 3.295 -11.860 1.00 0.00 H new ATOM 1705 N GLY A 117 22.492 0.136 -9.501 1.00 0.00 N ATOM 1706 CA GLY A 117 23.818 -0.084 -8.949 1.00 0.00 C ATOM 1707 C GLY A 117 24.018 0.722 -7.664 1.00 0.00 C ATOM 1708 O GLY A 117 25.104 0.718 -7.087 1.00 0.00 O ATOM 0 H GLY A 117 21.825 0.557 -8.854 1.00 0.00 H new ATOM 0 HA2 GLY A 117 23.958 -1.145 -8.742 1.00 0.00 H new ATOM 0 HA3 GLY A 117 24.573 0.201 -9.682 1.00 0.00 H new TER 1712 GLY A 117