USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 831 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 95 SER OG : rot -170:sc= 1.14 USER MOD Set 1.2: A 98 GLN : amide:sc= 0.376 X(o=1.5,f=1.9) USER MOD Set 2.1: A 49 TYR OH : rot 129:sc= 0.318 USER MOD Set 2.2: A 100 LYS NZ :NH3+ 173:sc= 0.871 (180deg=0.715) USER MOD Set 3.1: A 8 THR OG1 : rot -45:sc= 1.44 USER MOD Set 3.2: A 11 SER OG : rot 7:sc= 2.99 USER MOD Set 4.1: A 3 LYS NZ :NH3+ 152:sc= 0.0193 (180deg=0) USER MOD Set 4.2: A 50 GLN : amide:sc= 1.1 K(o=1.1,f=0.0052) USER MOD Single : A 1 SER N :NH3+ 165:sc= 0.14 (180deg=-0.12) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0956 USER MOD Single : A 6 HIS : no HE2:sc= -0.234 X(o=-0.23,f=-0.17) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0596 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 134:sc= 0.588 (180deg=-0.693) USER MOD Single : A 37 MET CE :methyl -171:sc= 0 (180deg=-0.11) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0313) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -115:sc= -0.0185 (180deg=-0.269) USER MOD Single : A 59 ASN : amide:sc= 0.613 K(o=0.61,f=-8.6!) USER MOD Single : A 62 GLN : amide:sc= 1.27 K(o=1.3,f=-0.69) USER MOD Single : A 63 ASN : amide:sc= 1.18 K(o=1.2,f=-4.9!) USER MOD Single : A 66 THR OG1 : rot 67:sc= 1.13 USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 0.681 (180deg=0.673) USER MOD Single : A 70 TYR OH : rot -118:sc= 0.21 USER MOD Single : A 77 THR OG1 : rot 130:sc= 1.22 USER MOD Single : A 82 LYS NZ :NH3+ 156:sc=-0.00538 (180deg=-0.247) USER MOD Single : A 83 ASN : amide:sc= 0.601 K(o=0.6,f=-0.23) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= 0.448 (180deg=0.175) USER MOD Single : A 96 LYS NZ :NH3+ 172:sc= 0.735 (180deg=0.673) USER MOD Single : A 106 ASN : amide:sc= 1.05 K(o=1.1,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.726 -14.478 0.120 1.00 0.00 N ATOM 2 CA SER A 1 7.928 -13.672 0.252 1.00 0.00 C ATOM 3 C SER A 1 7.641 -12.175 0.100 1.00 0.00 C ATOM 4 O SER A 1 8.535 -11.406 -0.250 1.00 0.00 O ATOM 5 CB SER A 1 8.938 -14.154 -0.791 1.00 0.00 C ATOM 6 OG SER A 1 8.974 -15.571 -0.790 1.00 0.00 O ATOM 0 H1 SER A 1 6.990 -15.474 -0.025 1.00 0.00 H new ATOM 0 H2 SER A 1 6.155 -14.394 0.985 1.00 0.00 H new ATOM 0 H3 SER A 1 6.172 -14.145 -0.695 1.00 0.00 H new ATOM 0 HA SER A 1 8.336 -13.796 1.255 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.661 -13.787 -1.779 1.00 0.00 H new ATOM 0 HB3 SER A 1 9.927 -13.754 -0.568 1.00 0.00 H new ATOM 0 HG SER A 1 9.619 -15.882 -1.459 1.00 0.00 H new ATOM 12 N ASP A 2 6.399 -11.763 0.362 1.00 0.00 N ATOM 13 CA ASP A 2 5.945 -10.386 0.277 1.00 0.00 C ATOM 14 C ASP A 2 4.626 -10.268 1.034 1.00 0.00 C ATOM 15 O ASP A 2 4.078 -11.281 1.464 1.00 0.00 O ATOM 16 CB ASP A 2 5.772 -9.966 -1.189 1.00 0.00 C ATOM 17 CG ASP A 2 4.566 -10.621 -1.856 1.00 0.00 C ATOM 18 OD1 ASP A 2 3.453 -10.078 -1.676 1.00 0.00 O ATOM 19 OD2 ASP A 2 4.774 -11.647 -2.538 1.00 0.00 O ATOM 0 H ASP A 2 5.661 -12.406 0.649 1.00 0.00 H new ATOM 0 HA ASP A 2 6.685 -9.721 0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.666 -8.882 -1.241 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.673 -10.225 -1.745 1.00 0.00 H new ATOM 24 N LYS A 3 4.116 -9.042 1.172 1.00 0.00 N ATOM 25 CA LYS A 3 2.847 -8.759 1.829 1.00 0.00 C ATOM 26 C LYS A 3 2.074 -7.769 0.957 1.00 0.00 C ATOM 27 O LYS A 3 1.582 -6.752 1.441 1.00 0.00 O ATOM 28 CB LYS A 3 3.111 -8.233 3.249 1.00 0.00 C ATOM 29 CG LYS A 3 3.807 -9.304 4.100 1.00 0.00 C ATOM 30 CD LYS A 3 3.966 -8.885 5.565 1.00 0.00 C ATOM 31 CE LYS A 3 4.977 -7.746 5.730 1.00 0.00 C ATOM 32 NZ LYS A 3 5.307 -7.531 7.149 1.00 0.00 N ATOM 0 H LYS A 3 4.585 -8.206 0.823 1.00 0.00 H new ATOM 0 HA LYS A 3 2.240 -9.658 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.732 -7.338 3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.170 -7.944 3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.234 -10.230 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.790 -9.515 3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.999 -8.572 5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.288 -9.743 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.885 -7.978 5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.569 -6.829 5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.268 -7.141 7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.628 -6.863 7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.259 -8.437 7.658 1.00 0.00 H new ATOM 46 N ILE A 4 1.991 -8.070 -0.343 1.00 0.00 N ATOM 47 CA ILE A 4 1.311 -7.241 -1.325 1.00 0.00 C ATOM 48 C ILE A 4 -0.051 -7.843 -1.659 1.00 0.00 C ATOM 49 O ILE A 4 -0.175 -9.056 -1.818 1.00 0.00 O ATOM 50 CB ILE A 4 2.172 -7.107 -2.589 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.525 -6.466 -2.231 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.411 -6.282 -3.627 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.332 -5.986 -3.430 1.00 0.00 C ATOM 0 H ILE A 4 2.404 -8.913 -0.742 1.00 0.00 H new ATOM 0 HA ILE A 4 1.157 -6.245 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 4 2.375 -8.089 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.348 -5.621 -1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.120 -7.190 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.017 -6.183 -4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.474 -6.782 -3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.199 -5.293 -3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.269 -5.549 -3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.545 -6.830 -4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.760 -5.236 -3.976 1.00 0.00 H new ATOM 65 N ILE A 5 -1.067 -6.986 -1.794 1.00 0.00 N ATOM 66 CA ILE A 5 -2.419 -7.411 -2.131 1.00 0.00 C ATOM 67 C ILE A 5 -2.620 -7.464 -3.647 1.00 0.00 C ATOM 68 O ILE A 5 -2.599 -6.451 -4.349 1.00 0.00 O ATOM 69 CB ILE A 5 -3.468 -6.533 -1.425 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.162 -6.280 0.064 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.863 -7.153 -1.587 1.00 0.00 C ATOM 72 CD1 ILE A 5 -3.004 -7.552 0.906 1.00 0.00 C ATOM 0 H ILE A 5 -0.970 -5.978 -1.672 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.561 -8.427 -1.762 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.433 -5.557 -1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.246 -5.694 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.963 -5.675 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.600 -6.526 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.109 -7.224 -2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.872 -8.149 -1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.791 -7.280 1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.926 -8.131 0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.183 -8.150 0.511 1.00 0.00 H new ATOM 84 N HIS A 6 -2.831 -8.674 -4.156 1.00 0.00 N ATOM 85 CA HIS A 6 -3.052 -8.938 -5.564 1.00 0.00 C ATOM 86 C HIS A 6 -4.541 -8.788 -5.869 1.00 0.00 C ATOM 87 O HIS A 6 -5.273 -9.768 -5.987 1.00 0.00 O ATOM 88 CB HIS A 6 -2.427 -10.303 -5.880 1.00 0.00 C ATOM 89 CG HIS A 6 -0.933 -10.243 -5.655 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.210 -10.770 -4.593 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.129 -9.334 -6.277 1.00 0.00 C ATOM 92 CE1 HIS A 6 1.020 -10.213 -4.617 1.00 0.00 C ATOM 93 NE2 HIS A 6 1.090 -9.347 -5.641 1.00 0.00 N ATOM 0 H HIS A 6 -2.853 -9.516 -3.581 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.565 -8.223 -6.228 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -2.869 -11.072 -5.247 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.638 -10.580 -6.913 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -0.547 -11.455 -3.916 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.401 -8.715 -7.119 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.819 -10.429 -3.924 1.00 0.00 H new ATOM 102 N LEU A 7 -4.975 -7.528 -5.948 1.00 0.00 N ATOM 103 CA LEU A 7 -6.360 -7.134 -6.156 1.00 0.00 C ATOM 104 C LEU A 7 -6.907 -7.521 -7.528 1.00 0.00 C ATOM 105 O LEU A 7 -6.165 -7.689 -8.497 1.00 0.00 O ATOM 106 CB LEU A 7 -6.476 -5.608 -6.046 1.00 0.00 C ATOM 107 CG LEU A 7 -6.133 -5.020 -4.675 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.137 -3.495 -4.806 1.00 0.00 C ATOM 109 CD2 LEU A 7 -7.166 -5.427 -3.625 1.00 0.00 C ATOM 0 H LEU A 7 -4.345 -6.730 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.937 -7.658 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.820 -5.156 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.495 -5.319 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.159 -5.393 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.895 -3.046 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.395 -3.191 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.124 -3.160 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.896 -4.994 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.150 -5.064 -3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.191 -6.513 -3.541 1.00 0.00 H new ATOM 121 N THR A 8 -8.240 -7.556 -7.593 1.00 0.00 N ATOM 122 CA THR A 8 -9.040 -7.748 -8.787 1.00 0.00 C ATOM 123 C THR A 8 -10.021 -6.573 -8.883 1.00 0.00 C ATOM 124 O THR A 8 -10.302 -5.924 -7.869 1.00 0.00 O ATOM 125 CB THR A 8 -9.810 -9.077 -8.718 1.00 0.00 C ATOM 126 OG1 THR A 8 -10.796 -9.028 -7.701 1.00 0.00 O ATOM 127 CG2 THR A 8 -8.875 -10.264 -8.471 1.00 0.00 C ATOM 0 H THR A 8 -8.816 -7.444 -6.759 1.00 0.00 H new ATOM 0 HA THR A 8 -8.397 -7.785 -9.667 1.00 0.00 H new ATOM 0 HB THR A 8 -10.292 -9.220 -9.685 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.411 -8.634 -6.891 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.458 -11.184 -8.429 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.150 -10.331 -9.282 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.350 -10.123 -7.526 1.00 0.00 H new ATOM 135 N ASP A 9 -10.572 -6.319 -10.075 1.00 0.00 N ATOM 136 CA ASP A 9 -11.567 -5.269 -10.286 1.00 0.00 C ATOM 137 C ASP A 9 -12.718 -5.462 -9.295 1.00 0.00 C ATOM 138 O ASP A 9 -13.108 -4.535 -8.591 1.00 0.00 O ATOM 139 CB ASP A 9 -12.071 -5.303 -11.735 1.00 0.00 C ATOM 140 CG ASP A 9 -13.100 -4.210 -12.022 1.00 0.00 C ATOM 141 OD1 ASP A 9 -14.265 -4.402 -11.612 1.00 0.00 O ATOM 142 OD2 ASP A 9 -12.713 -3.214 -12.670 1.00 0.00 O ATOM 0 H ASP A 9 -10.338 -6.839 -10.921 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.116 -4.292 -10.114 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.225 -5.189 -12.413 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.514 -6.278 -11.939 1.00 0.00 H new ATOM 147 N ASP A 10 -13.229 -6.694 -9.240 1.00 0.00 N ATOM 148 CA ASP A 10 -14.319 -7.108 -8.367 1.00 0.00 C ATOM 149 C ASP A 10 -14.041 -6.744 -6.909 1.00 0.00 C ATOM 150 O ASP A 10 -14.915 -6.229 -6.220 1.00 0.00 O ATOM 151 CB ASP A 10 -14.534 -8.624 -8.498 1.00 0.00 C ATOM 152 CG ASP A 10 -14.818 -9.046 -9.936 1.00 0.00 C ATOM 153 OD1 ASP A 10 -13.852 -9.018 -10.729 1.00 0.00 O ATOM 154 OD2 ASP A 10 -15.991 -9.379 -10.215 1.00 0.00 O ATOM 0 H ASP A 10 -12.880 -7.454 -9.824 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.221 -6.578 -8.674 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.649 -9.147 -8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.365 -8.927 -7.862 1.00 0.00 H new ATOM 159 N SER A 11 -12.824 -7.022 -6.429 1.00 0.00 N ATOM 160 CA SER A 11 -12.474 -6.768 -5.037 1.00 0.00 C ATOM 161 C SER A 11 -12.174 -5.291 -4.778 1.00 0.00 C ATOM 162 O SER A 11 -12.339 -4.820 -3.655 1.00 0.00 O ATOM 163 CB SER A 11 -11.258 -7.629 -4.680 1.00 0.00 C ATOM 164 OG SER A 11 -10.213 -7.448 -5.622 1.00 0.00 O ATOM 0 H SER A 11 -12.070 -7.422 -6.987 1.00 0.00 H new ATOM 0 HA SER A 11 -13.326 -7.029 -4.409 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.903 -7.368 -3.683 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.548 -8.679 -4.650 1.00 0.00 H new ATOM 0 HG SER A 11 -10.455 -6.731 -6.245 1.00 0.00 H new ATOM 170 N PHE A 12 -11.693 -4.578 -5.803 1.00 0.00 N ATOM 171 CA PHE A 12 -11.263 -3.189 -5.742 1.00 0.00 C ATOM 172 C PHE A 12 -12.084 -2.298 -4.806 1.00 0.00 C ATOM 173 O PHE A 12 -11.523 -1.654 -3.928 1.00 0.00 O ATOM 174 CB PHE A 12 -11.216 -2.592 -7.152 1.00 0.00 C ATOM 175 CG PHE A 12 -10.229 -1.455 -7.260 1.00 0.00 C ATOM 176 CD1 PHE A 12 -10.570 -0.165 -6.812 1.00 0.00 C ATOM 177 CD2 PHE A 12 -8.904 -1.742 -7.623 1.00 0.00 C ATOM 178 CE1 PHE A 12 -9.579 0.828 -6.724 1.00 0.00 C ATOM 179 CE2 PHE A 12 -7.944 -0.722 -7.642 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.276 0.560 -7.177 1.00 0.00 C ATOM 0 H PHE A 12 -11.591 -4.977 -6.736 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.265 -3.210 -5.305 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.948 -3.371 -7.865 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.209 -2.236 -7.427 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.590 0.061 -6.537 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.624 -2.751 -7.888 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.819 1.796 -6.309 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.950 -0.922 -8.014 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.530 1.341 -7.167 1.00 0.00 H new ATOM 190 N ASP A 13 -13.404 -2.234 -4.983 1.00 0.00 N ATOM 191 CA ASP A 13 -14.248 -1.384 -4.150 1.00 0.00 C ATOM 192 C ASP A 13 -14.048 -1.687 -2.661 1.00 0.00 C ATOM 193 O ASP A 13 -13.638 -0.832 -1.876 1.00 0.00 O ATOM 194 CB ASP A 13 -15.716 -1.572 -4.555 1.00 0.00 C ATOM 195 CG ASP A 13 -16.662 -0.963 -3.524 1.00 0.00 C ATOM 196 OD1 ASP A 13 -16.729 0.283 -3.476 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.278 -1.762 -2.785 1.00 0.00 O ATOM 0 H ASP A 13 -13.909 -2.761 -5.695 1.00 0.00 H new ATOM 0 HA ASP A 13 -13.963 -0.344 -4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.889 -1.110 -5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.931 -2.635 -4.665 1.00 0.00 H new ATOM 202 N THR A 14 -14.369 -2.914 -2.268 1.00 0.00 N ATOM 203 CA THR A 14 -14.312 -3.345 -0.886 1.00 0.00 C ATOM 204 C THR A 14 -12.895 -3.274 -0.317 1.00 0.00 C ATOM 205 O THR A 14 -12.704 -2.879 0.830 1.00 0.00 O ATOM 206 CB THR A 14 -14.891 -4.761 -0.813 1.00 0.00 C ATOM 207 OG1 THR A 14 -15.994 -4.854 -1.698 1.00 0.00 O ATOM 208 CG2 THR A 14 -15.342 -5.126 0.603 1.00 0.00 C ATOM 0 H THR A 14 -14.679 -3.642 -2.911 1.00 0.00 H new ATOM 0 HA THR A 14 -14.903 -2.671 -0.266 1.00 0.00 H new ATOM 0 HB THR A 14 -14.106 -5.461 -1.099 1.00 0.00 H new ATOM 0 HG1 THR A 14 -16.370 -5.758 -1.659 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.746 -6.139 0.607 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.490 -5.072 1.281 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.112 -4.427 0.931 1.00 0.00 H new ATOM 216 N ASP A 15 -11.904 -3.686 -1.103 1.00 0.00 N ATOM 217 CA ASP A 15 -10.527 -3.748 -0.644 1.00 0.00 C ATOM 218 C ASP A 15 -9.869 -2.372 -0.584 1.00 0.00 C ATOM 219 O ASP A 15 -9.090 -2.125 0.331 1.00 0.00 O ATOM 220 CB ASP A 15 -9.710 -4.674 -1.548 1.00 0.00 C ATOM 221 CG ASP A 15 -10.028 -6.154 -1.350 1.00 0.00 C ATOM 222 OD1 ASP A 15 -11.228 -6.487 -1.240 1.00 0.00 O ATOM 223 OD2 ASP A 15 -9.056 -6.940 -1.335 1.00 0.00 O ATOM 0 H ASP A 15 -12.035 -3.984 -2.070 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.547 -4.145 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.893 -4.407 -2.589 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.649 -4.510 -1.359 1.00 0.00 H new ATOM 228 N VAL A 16 -10.118 -1.508 -1.572 1.00 0.00 N ATOM 229 CA VAL A 16 -9.478 -0.207 -1.691 1.00 0.00 C ATOM 230 C VAL A 16 -10.381 0.923 -1.214 1.00 0.00 C ATOM 231 O VAL A 16 -10.051 1.627 -0.263 1.00 0.00 O ATOM 232 CB VAL A 16 -9.013 0.034 -3.139 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.220 1.343 -3.256 1.00 0.00 C ATOM 234 CG2 VAL A 16 -8.146 -1.123 -3.641 1.00 0.00 C ATOM 0 H VAL A 16 -10.782 -1.702 -2.321 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.604 -0.212 -1.039 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.910 0.103 -3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.905 1.486 -4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.849 2.178 -2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.342 1.295 -2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.833 -0.925 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.266 -1.221 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.721 -2.049 -3.610 1.00 0.00 H new ATOM 244 N LEU A 17 -11.512 1.123 -1.893 1.00 0.00 N ATOM 245 CA LEU A 17 -12.389 2.252 -1.614 1.00 0.00 C ATOM 246 C LEU A 17 -12.903 2.252 -0.177 1.00 0.00 C ATOM 247 O LEU A 17 -13.074 3.318 0.405 1.00 0.00 O ATOM 248 CB LEU A 17 -13.507 2.357 -2.661 1.00 0.00 C ATOM 249 CG LEU A 17 -12.978 2.448 -4.105 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.160 2.632 -5.061 1.00 0.00 C ATOM 251 CD2 LEU A 17 -11.992 3.609 -4.292 1.00 0.00 C ATOM 0 H LEU A 17 -11.839 0.513 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.794 3.161 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.160 1.489 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.115 3.236 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.443 1.523 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.793 2.697 -6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.836 1.782 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.694 3.548 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.648 3.631 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.489 4.550 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.138 3.472 -3.628 1.00 0.00 H new ATOM 263 N LYS A 18 -13.127 1.078 0.417 1.00 0.00 N ATOM 264 CA LYS A 18 -13.571 1.013 1.806 1.00 0.00 C ATOM 265 C LYS A 18 -12.401 0.927 2.800 1.00 0.00 C ATOM 266 O LYS A 18 -12.647 0.782 3.998 1.00 0.00 O ATOM 267 CB LYS A 18 -14.582 -0.124 1.992 1.00 0.00 C ATOM 268 CG LYS A 18 -15.801 0.067 1.081 1.00 0.00 C ATOM 269 CD LYS A 18 -16.905 -0.928 1.451 1.00 0.00 C ATOM 270 CE LYS A 18 -18.135 -0.712 0.563 1.00 0.00 C ATOM 271 NZ LYS A 18 -19.189 -1.700 0.852 1.00 0.00 N ATOM 0 H LYS A 18 -13.010 0.172 -0.037 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.076 1.951 2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.105 -1.079 1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.904 -0.162 3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.176 1.086 1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.510 -0.073 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.539 -1.948 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.178 -0.805 2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -18.525 0.294 0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.845 -0.783 -0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -20.007 -1.526 0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.823 -2.658 0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.482 -1.614 1.846 1.00 0.00 H new ATOM 285 N ALA A 19 -11.135 1.018 2.367 1.00 0.00 N ATOM 286 CA ALA A 19 -10.025 0.924 3.302 1.00 0.00 C ATOM 287 C ALA A 19 -9.779 2.241 4.030 1.00 0.00 C ATOM 288 O ALA A 19 -9.190 3.168 3.470 1.00 0.00 O ATOM 289 CB ALA A 19 -8.762 0.505 2.565 1.00 0.00 C ATOM 0 H ALA A 19 -10.866 1.154 1.393 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.287 0.174 4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.934 0.437 3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.920 -0.466 2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.525 1.244 1.799 1.00 0.00 H new ATOM 295 N ASP A 20 -10.161 2.307 5.307 1.00 0.00 N ATOM 296 CA ASP A 20 -9.862 3.457 6.147 1.00 0.00 C ATOM 297 C ASP A 20 -8.391 3.369 6.574 1.00 0.00 C ATOM 298 O ASP A 20 -8.083 3.140 7.741 1.00 0.00 O ATOM 299 CB ASP A 20 -10.815 3.509 7.347 1.00 0.00 C ATOM 300 CG ASP A 20 -10.552 4.736 8.219 1.00 0.00 C ATOM 301 OD1 ASP A 20 -10.068 5.745 7.656 1.00 0.00 O ATOM 302 OD2 ASP A 20 -10.860 4.652 9.428 1.00 0.00 O ATOM 0 H ASP A 20 -10.682 1.569 5.780 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.012 4.385 5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.846 3.527 6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.699 2.605 7.945 1.00 0.00 H new ATOM 307 N GLY A 21 -7.481 3.517 5.611 1.00 0.00 N ATOM 308 CA GLY A 21 -6.044 3.428 5.805 1.00 0.00 C ATOM 309 C GLY A 21 -5.347 3.975 4.563 1.00 0.00 C ATOM 310 O GLY A 21 -5.962 4.738 3.817 1.00 0.00 O ATOM 0 H GLY A 21 -7.739 3.709 4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -5.746 3.996 6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.750 2.393 5.978 1.00 0.00 H new ATOM 314 N ALA A 22 -4.089 3.580 4.337 1.00 0.00 N ATOM 315 CA ALA A 22 -3.276 4.002 3.203 1.00 0.00 C ATOM 316 C ALA A 22 -2.970 2.773 2.345 1.00 0.00 C ATOM 317 O ALA A 22 -2.216 1.898 2.772 1.00 0.00 O ATOM 318 CB ALA A 22 -1.995 4.655 3.725 1.00 0.00 C ATOM 0 H ALA A 22 -3.599 2.938 4.960 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.803 4.733 2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.380 4.974 2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.251 5.521 4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.440 3.936 4.328 1.00 0.00 H new ATOM 324 N ILE A 23 -3.551 2.702 1.147 1.00 0.00 N ATOM 325 CA ILE A 23 -3.387 1.609 0.199 1.00 0.00 C ATOM 326 C ILE A 23 -2.667 2.141 -1.041 1.00 0.00 C ATOM 327 O ILE A 23 -3.156 3.070 -1.682 1.00 0.00 O ATOM 328 CB ILE A 23 -4.755 0.968 -0.121 1.00 0.00 C ATOM 329 CG1 ILE A 23 -5.142 0.001 1.008 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.758 0.215 -1.458 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.444 -0.754 0.782 1.00 0.00 C ATOM 0 H ILE A 23 -4.171 3.434 0.801 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.774 0.815 0.625 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.480 1.777 -0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.337 -0.722 1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.221 0.564 1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.745 -0.215 -1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.517 0.906 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.015 -0.582 -1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.635 -1.412 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.264 -0.043 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.366 -1.349 -0.128 1.00 0.00 H new ATOM 343 N LEU A 24 -1.527 1.544 -1.399 1.00 0.00 N ATOM 344 CA LEU A 24 -0.761 1.918 -2.582 1.00 0.00 C ATOM 345 C LEU A 24 -1.018 0.878 -3.666 1.00 0.00 C ATOM 346 O LEU A 24 -0.457 -0.216 -3.609 1.00 0.00 O ATOM 347 CB LEU A 24 0.731 2.010 -2.244 1.00 0.00 C ATOM 348 CG LEU A 24 1.568 2.516 -3.434 1.00 0.00 C ATOM 349 CD1 LEU A 24 1.538 4.041 -3.547 1.00 0.00 C ATOM 350 CD2 LEU A 24 3.012 2.015 -3.319 1.00 0.00 C ATOM 0 H LEU A 24 -1.109 0.780 -0.868 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.073 2.899 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.869 2.679 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.094 1.029 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 24 1.122 2.114 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.141 4.355 -4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.510 4.375 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.942 4.481 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.592 2.380 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.452 2.383 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.020 0.925 -3.316 1.00 0.00 H new ATOM 362 N VAL A 25 -1.844 1.217 -4.656 1.00 0.00 N ATOM 363 CA VAL A 25 -2.143 0.317 -5.757 1.00 0.00 C ATOM 364 C VAL A 25 -1.150 0.544 -6.888 1.00 0.00 C ATOM 365 O VAL A 25 -1.187 1.585 -7.546 1.00 0.00 O ATOM 366 CB VAL A 25 -3.581 0.492 -6.270 1.00 0.00 C ATOM 367 CG1 VAL A 25 -3.876 -0.573 -7.337 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.612 0.358 -5.147 1.00 0.00 C ATOM 0 H VAL A 25 -2.319 2.118 -4.713 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.053 -0.705 -5.387 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.660 1.495 -6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.896 -0.450 -7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.178 -0.460 -8.166 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.764 -1.566 -6.901 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.614 0.489 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.531 -0.630 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.426 1.120 -4.390 1.00 0.00 H new ATOM 378 N ASP A 26 -0.308 -0.460 -7.142 1.00 0.00 N ATOM 379 CA ASP A 26 0.590 -0.493 -8.277 1.00 0.00 C ATOM 380 C ASP A 26 -0.153 -1.230 -9.387 1.00 0.00 C ATOM 381 O ASP A 26 -0.338 -2.442 -9.318 1.00 0.00 O ATOM 382 CB ASP A 26 1.898 -1.221 -7.934 1.00 0.00 C ATOM 383 CG ASP A 26 2.667 -1.585 -9.200 1.00 0.00 C ATOM 384 OD1 ASP A 26 3.191 -2.689 -9.330 1.00 0.00 O ATOM 385 OD2 ASP A 26 2.724 -0.659 -10.192 1.00 0.00 O ATOM 0 H ASP A 26 -0.237 -1.285 -6.547 1.00 0.00 H new ATOM 0 HA ASP A 26 0.866 0.517 -8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.516 -0.587 -7.298 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.678 -2.124 -7.365 1.00 0.00 H new ATOM 391 N PHE A 27 -0.563 -0.515 -10.425 1.00 0.00 N ATOM 392 CA PHE A 27 -1.195 -1.136 -11.569 1.00 0.00 C ATOM 393 C PHE A 27 -0.055 -1.714 -12.405 1.00 0.00 C ATOM 394 O PHE A 27 0.902 -1.000 -12.717 1.00 0.00 O ATOM 395 CB PHE A 27 -2.034 -0.110 -12.334 1.00 0.00 C ATOM 396 CG PHE A 27 -3.298 0.302 -11.596 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.237 1.216 -10.528 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.539 -0.261 -11.954 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.408 1.582 -9.847 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.717 0.150 -11.305 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.653 1.070 -10.247 1.00 0.00 C ATOM 0 H PHE A 27 -0.467 0.498 -10.494 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.891 -1.926 -11.288 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.428 0.776 -12.525 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.307 -0.525 -13.304 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.287 1.637 -10.232 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.586 -1.011 -12.730 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.351 2.262 -9.010 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.672 -0.243 -11.621 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.556 1.382 -9.743 1.00 0.00 H new ATOM 411 N TRP A 28 -0.140 -3.004 -12.733 1.00 0.00 N ATOM 412 CA TRP A 28 0.860 -3.722 -13.501 1.00 0.00 C ATOM 413 C TRP A 28 0.185 -4.569 -14.573 1.00 0.00 C ATOM 414 O TRP A 28 -1.039 -4.613 -14.661 1.00 0.00 O ATOM 415 CB TRP A 28 1.758 -4.552 -12.565 1.00 0.00 C ATOM 416 CG TRP A 28 1.161 -5.765 -11.928 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.299 -5.772 -10.892 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.406 -7.166 -12.250 1.00 0.00 C ATOM 419 NE1 TRP A 28 -0.047 -7.074 -10.577 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.596 -7.980 -11.401 1.00 0.00 C ATOM 421 CE3 TRP A 28 2.248 -7.831 -13.163 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.581 -9.381 -11.511 1.00 0.00 C ATOM 423 CZ3 TRP A 28 2.232 -9.229 -13.291 1.00 0.00 C ATOM 424 CH2 TRP A 28 1.368 -10.003 -12.499 1.00 0.00 C ATOM 0 H TRP A 28 -0.931 -3.588 -12.461 1.00 0.00 H new ATOM 0 HA TRP A 28 1.509 -3.012 -14.014 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.634 -4.867 -13.132 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.112 -3.895 -11.770 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.067 -4.892 -10.383 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.694 -7.333 -9.832 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.921 -7.252 -13.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.028 -9.974 -10.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.887 -9.711 -14.002 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.308 -11.071 -12.647 1.00 0.00 H new ATOM 435 N ALA A 29 0.990 -5.239 -15.394 1.00 0.00 N ATOM 436 CA ALA A 29 0.541 -6.095 -16.477 1.00 0.00 C ATOM 437 C ALA A 29 1.523 -7.253 -16.586 1.00 0.00 C ATOM 438 O ALA A 29 2.680 -7.101 -16.200 1.00 0.00 O ATOM 439 CB ALA A 29 0.512 -5.288 -17.776 1.00 0.00 C ATOM 0 H ALA A 29 2.006 -5.196 -15.317 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.462 -6.477 -16.289 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.175 -5.926 -18.593 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.173 -4.447 -17.667 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.513 -4.915 -17.995 1.00 0.00 H new ATOM 445 N GLU A 30 1.103 -8.390 -17.147 1.00 0.00 N ATOM 446 CA GLU A 30 1.985 -9.541 -17.308 1.00 0.00 C ATOM 447 C GLU A 30 3.203 -9.176 -18.169 1.00 0.00 C ATOM 448 O GLU A 30 4.271 -9.758 -18.009 1.00 0.00 O ATOM 449 CB GLU A 30 1.238 -10.744 -17.903 1.00 0.00 C ATOM 450 CG GLU A 30 -0.096 -11.118 -17.234 1.00 0.00 C ATOM 451 CD GLU A 30 0.037 -11.657 -15.812 1.00 0.00 C ATOM 452 OE1 GLU A 30 1.184 -11.829 -15.347 1.00 0.00 O ATOM 453 OE2 GLU A 30 -1.033 -11.889 -15.209 1.00 0.00 O ATOM 0 H GLU A 30 0.156 -8.535 -17.497 1.00 0.00 H new ATOM 0 HA GLU A 30 2.337 -9.829 -16.317 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.047 -10.541 -18.957 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.897 -11.611 -17.860 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.738 -10.238 -17.216 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.598 -11.867 -17.847 1.00 0.00 H new ATOM 460 N TRP A 31 3.041 -8.198 -19.063 1.00 0.00 N ATOM 461 CA TRP A 31 4.086 -7.688 -19.942 1.00 0.00 C ATOM 462 C TRP A 31 4.847 -6.502 -19.321 1.00 0.00 C ATOM 463 O TRP A 31 5.787 -5.986 -19.926 1.00 0.00 O ATOM 464 CB TRP A 31 3.442 -7.322 -21.288 1.00 0.00 C ATOM 465 CG TRP A 31 2.212 -6.458 -21.244 1.00 0.00 C ATOM 466 CD1 TRP A 31 0.943 -6.906 -21.109 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.104 -5.007 -21.371 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.064 -5.843 -21.122 1.00 0.00 N ATOM 469 CE2 TRP A 31 0.726 -4.645 -21.288 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.032 -3.958 -21.553 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.291 -3.314 -21.372 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.604 -2.621 -21.668 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.239 -2.298 -21.570 1.00 0.00 C ATOM 0 H TRP A 31 2.147 -7.726 -19.196 1.00 0.00 H new ATOM 0 HA TRP A 31 4.839 -8.461 -20.095 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.191 -6.814 -21.895 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.188 -8.247 -21.805 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.660 -7.943 -21.006 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.947 -5.932 -21.022 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.087 -4.185 -21.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.759 -3.074 -21.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.330 -1.838 -21.833 1.00 0.00 H new ATOM 0 HH2 TRP A 31 0.920 -1.269 -21.647 1.00 0.00 H new ATOM 484 N CYS A 32 4.475 -6.051 -18.117 1.00 0.00 N ATOM 485 CA CYS A 32 5.128 -4.911 -17.484 1.00 0.00 C ATOM 486 C CYS A 32 6.452 -5.305 -16.828 1.00 0.00 C ATOM 487 O CYS A 32 6.536 -5.466 -15.609 1.00 0.00 O ATOM 488 CB CYS A 32 4.213 -4.256 -16.451 1.00 0.00 C ATOM 489 SG CYS A 32 4.964 -2.768 -15.750 1.00 0.00 S ATOM 0 H CYS A 32 3.723 -6.463 -17.565 1.00 0.00 H new ATOM 0 HA CYS A 32 5.341 -4.192 -18.275 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.261 -4.000 -16.917 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.996 -4.966 -15.653 1.00 0.00 H new ATOM 494 N GLY A 33 7.506 -5.443 -17.634 1.00 0.00 N ATOM 495 CA GLY A 33 8.849 -5.746 -17.147 1.00 0.00 C ATOM 496 C GLY A 33 9.236 -4.878 -15.936 1.00 0.00 C ATOM 497 O GLY A 33 9.554 -5.415 -14.874 1.00 0.00 O ATOM 0 H GLY A 33 7.450 -5.347 -18.648 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.905 -6.799 -16.870 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.569 -5.589 -17.950 1.00 0.00 H new ATOM 501 N PRO A 34 9.202 -3.539 -16.060 1.00 0.00 N ATOM 502 CA PRO A 34 9.534 -2.628 -14.974 1.00 0.00 C ATOM 503 C PRO A 34 8.755 -2.900 -13.680 1.00 0.00 C ATOM 504 O PRO A 34 9.295 -2.732 -12.589 1.00 0.00 O ATOM 505 CB PRO A 34 9.255 -1.220 -15.507 1.00 0.00 C ATOM 506 CG PRO A 34 9.408 -1.383 -17.018 1.00 0.00 C ATOM 507 CD PRO A 34 8.863 -2.790 -17.260 1.00 0.00 C ATOM 0 HA PRO A 34 10.578 -2.761 -14.689 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.256 -0.878 -15.238 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.960 -0.491 -15.107 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.842 -0.630 -17.566 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.448 -1.292 -17.332 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.785 -2.773 -17.423 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.312 -3.240 -18.146 1.00 0.00 H new ATOM 515 N CYS A 35 7.495 -3.339 -13.782 1.00 0.00 N ATOM 516 CA CYS A 35 6.677 -3.626 -12.607 1.00 0.00 C ATOM 517 C CYS A 35 7.322 -4.759 -11.819 1.00 0.00 C ATOM 518 O CYS A 35 7.403 -4.711 -10.594 1.00 0.00 O ATOM 519 CB CYS A 35 5.233 -4.001 -12.954 1.00 0.00 C ATOM 520 SG CYS A 35 4.232 -2.764 -13.814 1.00 0.00 S ATOM 0 H CYS A 35 7.022 -3.502 -14.671 1.00 0.00 H new ATOM 0 HA CYS A 35 6.630 -2.713 -12.014 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.258 -4.900 -13.569 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.722 -4.262 -12.028 1.00 0.00 H new ATOM 525 N LYS A 36 7.808 -5.775 -12.536 1.00 0.00 N ATOM 526 CA LYS A 36 8.501 -6.895 -11.923 1.00 0.00 C ATOM 527 C LYS A 36 9.822 -6.376 -11.364 1.00 0.00 C ATOM 528 O LYS A 36 10.162 -6.670 -10.223 1.00 0.00 O ATOM 529 CB LYS A 36 8.711 -8.017 -12.941 1.00 0.00 C ATOM 530 CG LYS A 36 7.365 -8.501 -13.493 1.00 0.00 C ATOM 531 CD LYS A 36 7.595 -9.350 -14.746 1.00 0.00 C ATOM 532 CE LYS A 36 6.268 -9.736 -15.403 1.00 0.00 C ATOM 533 NZ LYS A 36 5.497 -8.548 -15.810 1.00 0.00 N ATOM 0 H LYS A 36 7.730 -5.838 -13.551 1.00 0.00 H new ATOM 0 HA LYS A 36 7.909 -7.320 -11.112 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.339 -7.662 -13.758 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.238 -8.848 -12.472 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.840 -9.086 -12.737 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.731 -7.647 -13.732 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.208 -8.796 -15.457 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.149 -10.251 -14.482 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.462 -10.361 -16.275 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.677 -10.333 -14.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.137 -8.682 -16.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.698 -8.413 -15.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.111 -7.709 -15.783 1.00 0.00 H new ATOM 547 N MET A 37 10.548 -5.573 -12.151 1.00 0.00 N ATOM 548 CA MET A 37 11.810 -4.980 -11.726 1.00 0.00 C ATOM 549 C MET A 37 11.668 -4.285 -10.366 1.00 0.00 C ATOM 550 O MET A 37 12.535 -4.448 -9.511 1.00 0.00 O ATOM 551 CB MET A 37 12.341 -4.033 -12.810 1.00 0.00 C ATOM 552 CG MET A 37 13.812 -3.672 -12.580 1.00 0.00 C ATOM 553 SD MET A 37 14.512 -2.466 -13.739 1.00 0.00 S ATOM 554 CE MET A 37 14.376 -3.362 -15.303 1.00 0.00 C ATOM 0 H MET A 37 10.272 -5.319 -13.100 1.00 0.00 H new ATOM 0 HA MET A 37 12.544 -5.775 -11.592 1.00 0.00 H new ATOM 0 HB2 MET A 37 12.230 -4.502 -13.788 1.00 0.00 H new ATOM 0 HB3 MET A 37 11.741 -3.123 -12.823 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.918 -3.281 -11.568 1.00 0.00 H new ATOM 0 HG3 MET A 37 14.404 -4.586 -12.632 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.909 -2.817 -16.082 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.811 -4.355 -15.192 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.326 -3.454 -15.579 1.00 0.00 H new ATOM 564 N ILE A 38 10.589 -3.518 -10.153 1.00 0.00 N ATOM 565 CA ILE A 38 10.357 -2.843 -8.876 1.00 0.00 C ATOM 566 C ILE A 38 9.636 -3.731 -7.849 1.00 0.00 C ATOM 567 O ILE A 38 9.486 -3.312 -6.702 1.00 0.00 O ATOM 568 CB ILE A 38 9.658 -1.480 -9.058 1.00 0.00 C ATOM 569 CG1 ILE A 38 8.193 -1.624 -9.504 1.00 0.00 C ATOM 570 CG2 ILE A 38 10.466 -0.598 -10.021 1.00 0.00 C ATOM 571 CD1 ILE A 38 7.455 -0.284 -9.582 1.00 0.00 C ATOM 0 H ILE A 38 9.865 -3.352 -10.852 1.00 0.00 H new ATOM 0 HA ILE A 38 11.344 -2.642 -8.459 1.00 0.00 H new ATOM 0 HB ILE A 38 9.625 -0.990 -8.085 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.162 -2.106 -10.481 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.670 -2.280 -8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.964 0.362 -10.143 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.465 -0.437 -9.615 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.543 -1.093 -10.989 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.427 -0.453 -9.902 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.456 0.190 -8.600 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.956 0.366 -10.299 1.00 0.00 H new ATOM 583 N ALA A 39 9.188 -4.941 -8.208 1.00 0.00 N ATOM 584 CA ALA A 39 8.493 -5.815 -7.268 1.00 0.00 C ATOM 585 C ALA A 39 9.283 -6.018 -5.966 1.00 0.00 C ATOM 586 O ALA A 39 8.705 -5.794 -4.906 1.00 0.00 O ATOM 587 CB ALA A 39 8.017 -7.120 -7.916 1.00 0.00 C ATOM 0 H ALA A 39 9.297 -5.332 -9.144 1.00 0.00 H new ATOM 0 HA ALA A 39 7.580 -5.298 -6.973 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.507 -7.731 -7.171 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.330 -6.892 -8.731 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.875 -7.666 -8.307 1.00 0.00 H new ATOM 593 N PRO A 40 10.579 -6.385 -5.993 1.00 0.00 N ATOM 594 CA PRO A 40 11.381 -6.504 -4.783 1.00 0.00 C ATOM 595 C PRO A 40 11.289 -5.238 -3.926 1.00 0.00 C ATOM 596 O PRO A 40 11.065 -5.320 -2.722 1.00 0.00 O ATOM 597 CB PRO A 40 12.819 -6.759 -5.248 1.00 0.00 C ATOM 598 CG PRO A 40 12.624 -7.416 -6.612 1.00 0.00 C ATOM 599 CD PRO A 40 11.399 -6.683 -7.155 1.00 0.00 C ATOM 0 HA PRO A 40 11.022 -7.318 -4.153 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.390 -5.833 -5.323 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.357 -7.410 -4.559 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.494 -7.284 -7.255 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.451 -8.489 -6.526 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.687 -5.770 -7.677 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.857 -7.301 -7.870 1.00 0.00 H new ATOM 607 N ILE A 41 11.420 -4.064 -4.557 1.00 0.00 N ATOM 608 CA ILE A 41 11.323 -2.787 -3.863 1.00 0.00 C ATOM 609 C ILE A 41 9.957 -2.704 -3.178 1.00 0.00 C ATOM 610 O ILE A 41 9.882 -2.465 -1.977 1.00 0.00 O ATOM 611 CB ILE A 41 11.574 -1.601 -4.817 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.912 -1.756 -5.566 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.572 -0.295 -4.012 1.00 0.00 C ATOM 614 CD1 ILE A 41 13.185 -0.608 -6.544 1.00 0.00 C ATOM 0 H ILE A 41 11.595 -3.980 -5.558 1.00 0.00 H new ATOM 0 HA ILE A 41 12.102 -2.724 -3.103 1.00 0.00 H new ATOM 0 HB ILE A 41 10.777 -1.581 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.724 -1.810 -4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.909 -2.699 -6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.749 0.546 -4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.606 -0.171 -3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.359 -0.331 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.141 -0.773 -7.041 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.391 -0.568 -7.289 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.218 0.335 -5.998 1.00 0.00 H new ATOM 626 N LEU A 42 8.873 -2.926 -3.928 1.00 0.00 N ATOM 627 CA LEU A 42 7.525 -2.897 -3.376 1.00 0.00 C ATOM 628 C LEU A 42 7.386 -3.889 -2.211 1.00 0.00 C ATOM 629 O LEU A 42 6.750 -3.572 -1.209 1.00 0.00 O ATOM 630 CB LEU A 42 6.486 -3.159 -4.474 1.00 0.00 C ATOM 631 CG LEU A 42 6.412 -2.051 -5.541 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.557 -2.537 -6.715 1.00 0.00 C ATOM 633 CD2 LEU A 42 5.793 -0.758 -4.988 1.00 0.00 C ATOM 0 H LEU A 42 8.910 -3.129 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 42 7.337 -1.901 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.719 -4.105 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.505 -3.272 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 42 7.431 -1.833 -5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.502 -1.756 -7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.007 -3.431 -7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.553 -2.771 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.761 -0.004 -5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.781 -0.960 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.398 -0.391 -4.159 1.00 0.00 H new ATOM 645 N ASP A 43 7.983 -5.081 -2.321 1.00 0.00 N ATOM 646 CA ASP A 43 7.942 -6.094 -1.267 1.00 0.00 C ATOM 647 C ASP A 43 8.624 -5.544 -0.010 1.00 0.00 C ATOM 648 O ASP A 43 8.055 -5.574 1.083 1.00 0.00 O ATOM 649 CB ASP A 43 8.611 -7.403 -1.719 1.00 0.00 C ATOM 650 CG ASP A 43 8.028 -8.003 -2.999 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.810 -7.831 -3.222 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.811 -8.647 -3.729 1.00 0.00 O ATOM 0 H ASP A 43 8.509 -5.368 -3.146 1.00 0.00 H new ATOM 0 HA ASP A 43 6.900 -6.324 -1.044 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.675 -7.219 -1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.525 -8.136 -0.917 1.00 0.00 H new ATOM 657 N GLU A 44 9.843 -5.021 -0.170 1.00 0.00 N ATOM 658 CA GLU A 44 10.601 -4.427 0.922 1.00 0.00 C ATOM 659 C GLU A 44 9.770 -3.319 1.572 1.00 0.00 C ATOM 660 O GLU A 44 9.605 -3.309 2.789 1.00 0.00 O ATOM 661 CB GLU A 44 11.943 -3.895 0.403 1.00 0.00 C ATOM 662 CG GLU A 44 12.886 -5.037 0.009 1.00 0.00 C ATOM 663 CD GLU A 44 14.129 -4.498 -0.688 1.00 0.00 C ATOM 664 OE1 GLU A 44 14.050 -4.289 -1.918 1.00 0.00 O ATOM 665 OE2 GLU A 44 15.132 -4.278 0.025 1.00 0.00 O ATOM 0 H GLU A 44 10.329 -5.000 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 44 10.816 -5.182 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.771 -3.250 -0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.414 -3.282 1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.176 -5.597 0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.367 -5.732 -0.651 1.00 0.00 H new ATOM 672 N ILE A 45 9.217 -2.411 0.765 1.00 0.00 N ATOM 673 CA ILE A 45 8.358 -1.335 1.239 1.00 0.00 C ATOM 674 C ILE A 45 7.192 -1.918 2.047 1.00 0.00 C ATOM 675 O ILE A 45 6.930 -1.457 3.156 1.00 0.00 O ATOM 676 CB ILE A 45 7.885 -0.481 0.052 1.00 0.00 C ATOM 677 CG1 ILE A 45 9.036 0.325 -0.581 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.713 0.441 0.412 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.588 1.472 0.270 1.00 0.00 C ATOM 0 H ILE A 45 9.357 -2.406 -0.245 1.00 0.00 H new ATOM 0 HA ILE A 45 8.916 -0.677 1.906 1.00 0.00 H new ATOM 0 HB ILE A 45 7.522 -1.190 -0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.853 -0.360 -0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.690 0.735 -1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.422 1.019 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.867 -0.159 0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.015 1.119 1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.393 1.971 -0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.792 2.187 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.973 1.075 1.209 1.00 0.00 H new ATOM 691 N ALA A 46 6.499 -2.928 1.510 1.00 0.00 N ATOM 692 CA ALA A 46 5.386 -3.570 2.199 1.00 0.00 C ATOM 693 C ALA A 46 5.808 -4.023 3.596 1.00 0.00 C ATOM 694 O ALA A 46 5.058 -3.847 4.554 1.00 0.00 O ATOM 695 CB ALA A 46 4.836 -4.737 1.372 1.00 0.00 C ATOM 0 H ALA A 46 6.697 -3.319 0.589 1.00 0.00 H new ATOM 0 HA ALA A 46 4.583 -2.842 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.006 -5.201 1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.486 -4.367 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.624 -5.474 1.214 1.00 0.00 H new ATOM 701 N ASP A 47 7.013 -4.587 3.726 1.00 0.00 N ATOM 702 CA ASP A 47 7.513 -4.991 5.032 1.00 0.00 C ATOM 703 C ASP A 47 7.832 -3.766 5.897 1.00 0.00 C ATOM 704 O ASP A 47 7.319 -3.639 7.007 1.00 0.00 O ATOM 705 CB ASP A 47 8.729 -5.909 4.888 1.00 0.00 C ATOM 706 CG ASP A 47 9.213 -6.356 6.263 1.00 0.00 C ATOM 707 OD1 ASP A 47 8.530 -7.225 6.849 1.00 0.00 O ATOM 708 OD2 ASP A 47 10.238 -5.801 6.715 1.00 0.00 O ATOM 0 H ASP A 47 7.649 -4.770 2.950 1.00 0.00 H new ATOM 0 HA ASP A 47 6.731 -5.557 5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.468 -6.779 4.285 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.529 -5.386 4.364 1.00 0.00 H new ATOM 713 N GLU A 48 8.682 -2.866 5.404 1.00 0.00 N ATOM 714 CA GLU A 48 9.112 -1.666 6.109 1.00 0.00 C ATOM 715 C GLU A 48 7.936 -0.882 6.692 1.00 0.00 C ATOM 716 O GLU A 48 7.957 -0.494 7.857 1.00 0.00 O ATOM 717 CB GLU A 48 9.897 -0.776 5.140 1.00 0.00 C ATOM 718 CG GLU A 48 11.285 -1.327 4.801 1.00 0.00 C ATOM 719 CD GLU A 48 11.893 -0.552 3.636 1.00 0.00 C ATOM 720 OE1 GLU A 48 11.958 0.692 3.747 1.00 0.00 O ATOM 721 OE2 GLU A 48 12.269 -1.211 2.642 1.00 0.00 O ATOM 0 H GLU A 48 9.100 -2.957 4.478 1.00 0.00 H new ATOM 0 HA GLU A 48 9.740 -1.973 6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.325 -0.660 4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.004 0.217 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.935 -1.255 5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.211 -2.384 4.545 1.00 0.00 H new ATOM 728 N TYR A 49 6.921 -0.636 5.866 1.00 0.00 N ATOM 729 CA TYR A 49 5.741 0.133 6.235 1.00 0.00 C ATOM 730 C TYR A 49 4.577 -0.782 6.639 1.00 0.00 C ATOM 731 O TYR A 49 3.423 -0.358 6.561 1.00 0.00 O ATOM 732 CB TYR A 49 5.355 1.065 5.071 1.00 0.00 C ATOM 733 CG TYR A 49 6.365 2.145 4.714 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.521 1.816 3.988 1.00 0.00 C ATOM 735 CD2 TYR A 49 6.097 3.497 5.006 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.429 2.815 3.607 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.967 4.507 4.552 1.00 0.00 C ATOM 738 CZ TYR A 49 8.147 4.163 3.869 1.00 0.00 C ATOM 739 OH TYR A 49 9.023 5.117 3.446 1.00 0.00 O ATOM 0 H TYR A 49 6.898 -0.973 4.904 1.00 0.00 H new ATOM 0 HA TYR A 49 5.974 0.741 7.109 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.180 0.454 4.186 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.409 1.548 5.317 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.712 0.787 3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.221 3.760 5.580 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.349 2.545 3.110 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.728 5.545 4.728 1.00 0.00 H new ATOM 0 HH TYR A 49 8.539 5.808 2.947 1.00 0.00 H new ATOM 749 N GLN A 50 4.837 -2.021 7.075 1.00 0.00 N ATOM 750 CA GLN A 50 3.772 -2.932 7.473 1.00 0.00 C ATOM 751 C GLN A 50 2.837 -2.270 8.491 1.00 0.00 C ATOM 752 O GLN A 50 3.293 -1.670 9.462 1.00 0.00 O ATOM 753 CB GLN A 50 4.363 -4.247 7.995 1.00 0.00 C ATOM 754 CG GLN A 50 5.148 -4.101 9.307 1.00 0.00 C ATOM 755 CD GLN A 50 5.918 -5.376 9.625 1.00 0.00 C ATOM 756 OE1 GLN A 50 5.466 -6.210 10.403 1.00 0.00 O ATOM 757 NE2 GLN A 50 7.080 -5.549 9.007 1.00 0.00 N ATOM 0 H GLN A 50 5.776 -2.409 7.159 1.00 0.00 H new ATOM 0 HA GLN A 50 3.167 -3.171 6.599 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.555 -4.963 8.145 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.022 -4.665 7.234 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.841 -3.263 9.230 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.462 -3.873 10.123 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.428 -4.836 8.366 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.625 -6.395 9.173 1.00 0.00 H new ATOM 766 N GLY A 51 1.526 -2.332 8.248 1.00 0.00 N ATOM 767 CA GLY A 51 0.533 -1.725 9.125 1.00 0.00 C ATOM 768 C GLY A 51 0.373 -0.215 8.912 1.00 0.00 C ATOM 769 O GLY A 51 -0.641 0.345 9.324 1.00 0.00 O ATOM 0 H GLY A 51 1.127 -2.805 7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.429 -2.211 8.963 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.813 -1.910 10.162 1.00 0.00 H new ATOM 773 N LYS A 52 1.337 0.448 8.265 1.00 0.00 N ATOM 774 CA LYS A 52 1.300 1.879 7.994 1.00 0.00 C ATOM 775 C LYS A 52 0.833 2.104 6.556 1.00 0.00 C ATOM 776 O LYS A 52 0.032 2.999 6.296 1.00 0.00 O ATOM 777 CB LYS A 52 2.693 2.490 8.207 1.00 0.00 C ATOM 778 CG LYS A 52 3.213 2.261 9.633 1.00 0.00 C ATOM 779 CD LYS A 52 4.653 2.765 9.816 1.00 0.00 C ATOM 780 CE LYS A 52 4.846 4.252 9.484 1.00 0.00 C ATOM 781 NZ LYS A 52 3.928 5.113 10.250 1.00 0.00 N ATOM 0 H LYS A 52 2.178 -0.008 7.911 1.00 0.00 H new ATOM 0 HA LYS A 52 0.604 2.364 8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.392 2.055 7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.654 3.560 8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.559 2.770 10.342 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.170 1.197 9.867 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.958 2.592 10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.316 2.174 9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.875 4.540 9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.685 4.409 8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.137 6.111 10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.947 4.903 9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.051 4.934 11.267 1.00 0.00 H new ATOM 795 N LEU A 53 1.334 1.285 5.627 1.00 0.00 N ATOM 796 CA LEU A 53 1.012 1.327 4.214 1.00 0.00 C ATOM 797 C LEU A 53 0.681 -0.091 3.762 1.00 0.00 C ATOM 798 O LEU A 53 1.398 -1.031 4.096 1.00 0.00 O ATOM 799 CB LEU A 53 2.234 1.838 3.447 1.00 0.00 C ATOM 800 CG LEU A 53 1.962 2.093 1.958 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.248 3.434 1.763 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.303 2.105 1.224 1.00 0.00 C ATOM 0 H LEU A 53 2.001 0.548 5.857 1.00 0.00 H new ATOM 0 HA LEU A 53 0.164 1.986 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.581 2.763 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.041 1.112 3.541 1.00 0.00 H new ATOM 0 HG LEU A 53 1.318 1.308 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.064 3.597 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.299 3.422 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.873 4.239 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.135 2.285 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.933 2.896 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.798 1.143 1.355 1.00 0.00 H new ATOM 814 N THR A 54 -0.396 -0.242 2.994 1.00 0.00 N ATOM 815 CA THR A 54 -0.841 -1.510 2.449 1.00 0.00 C ATOM 816 C THR A 54 -0.541 -1.494 0.947 1.00 0.00 C ATOM 817 O THR A 54 -1.221 -0.823 0.173 1.00 0.00 O ATOM 818 CB THR A 54 -2.325 -1.650 2.796 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.452 -1.748 4.198 1.00 0.00 O ATOM 820 CG2 THR A 54 -2.990 -2.871 2.160 1.00 0.00 C ATOM 0 H THR A 54 -0.996 0.540 2.730 1.00 0.00 H new ATOM 0 HA THR A 54 -0.330 -2.379 2.863 1.00 0.00 H new ATOM 0 HB THR A 54 -2.829 -0.769 2.398 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.399 -1.837 4.435 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.040 -2.906 2.450 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.915 -2.802 1.075 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.489 -3.777 2.501 1.00 0.00 H new ATOM 828 N VAL A 55 0.503 -2.204 0.519 1.00 0.00 N ATOM 829 CA VAL A 55 0.889 -2.244 -0.884 1.00 0.00 C ATOM 830 C VAL A 55 -0.018 -3.227 -1.631 1.00 0.00 C ATOM 831 O VAL A 55 -0.346 -4.293 -1.109 1.00 0.00 O ATOM 832 CB VAL A 55 2.372 -2.633 -1.011 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.840 -2.558 -2.469 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.278 -1.709 -0.190 1.00 0.00 C ATOM 0 H VAL A 55 1.098 -2.762 1.132 1.00 0.00 H new ATOM 0 HA VAL A 55 0.768 -1.258 -1.332 1.00 0.00 H new ATOM 0 HB VAL A 55 2.448 -3.654 -0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.892 -2.838 -2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.247 -3.242 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.714 -1.541 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.316 -2.019 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.164 -0.683 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.999 -1.767 0.862 1.00 0.00 H new ATOM 844 N ALA A 56 -0.416 -2.888 -2.857 1.00 0.00 N ATOM 845 CA ALA A 56 -1.241 -3.727 -3.709 1.00 0.00 C ATOM 846 C ALA A 56 -0.668 -3.722 -5.126 1.00 0.00 C ATOM 847 O ALA A 56 -0.051 -2.739 -5.531 1.00 0.00 O ATOM 848 CB ALA A 56 -2.689 -3.238 -3.666 1.00 0.00 C ATOM 0 H ALA A 56 -0.165 -2.000 -3.291 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.236 -4.757 -3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.305 -3.869 -4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.060 -3.288 -2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.736 -2.208 -4.019 1.00 0.00 H new ATOM 854 N LYS A 57 -0.856 -4.814 -5.872 1.00 0.00 N ATOM 855 CA LYS A 57 -0.379 -4.977 -7.242 1.00 0.00 C ATOM 856 C LYS A 57 -1.522 -5.530 -8.093 1.00 0.00 C ATOM 857 O LYS A 57 -1.748 -6.740 -8.105 1.00 0.00 O ATOM 858 CB LYS A 57 0.853 -5.896 -7.280 1.00 0.00 C ATOM 859 CG LYS A 57 2.143 -5.149 -6.925 1.00 0.00 C ATOM 860 CD LYS A 57 3.325 -6.124 -6.772 1.00 0.00 C ATOM 861 CE LYS A 57 3.995 -6.533 -8.084 1.00 0.00 C ATOM 862 NZ LYS A 57 4.569 -5.387 -8.817 1.00 0.00 N ATOM 0 H LYS A 57 -1.359 -5.631 -5.526 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.069 -4.014 -7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.710 -6.722 -6.583 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.949 -6.331 -8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.369 -4.418 -7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.002 -4.595 -5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.074 -5.666 -6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.973 -7.022 -6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.784 -7.255 -7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.264 -7.035 -8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.063 -5.262 -9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.474 -4.525 -8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.575 -5.566 -9.008 1.00 0.00 H new ATOM 876 N LEU A 58 -2.221 -4.675 -8.845 1.00 0.00 N ATOM 877 CA LEU A 58 -3.361 -5.105 -9.652 1.00 0.00 C ATOM 878 C LEU A 58 -2.940 -5.321 -11.101 1.00 0.00 C ATOM 879 O LEU A 58 -2.358 -4.431 -11.721 1.00 0.00 O ATOM 880 CB LEU A 58 -4.492 -4.075 -9.554 1.00 0.00 C ATOM 881 CG LEU A 58 -5.720 -4.508 -10.379 1.00 0.00 C ATOM 882 CD1 LEU A 58 -6.996 -4.065 -9.668 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.736 -3.855 -11.769 1.00 0.00 C ATOM 0 H LEU A 58 -2.015 -3.678 -8.910 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.728 -6.056 -9.266 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.780 -3.946 -8.511 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.137 -3.107 -9.908 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.666 -5.592 -10.483 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.863 -4.372 -10.252 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.042 -4.526 -8.681 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.995 -2.980 -9.562 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.618 -4.187 -12.317 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.763 -2.771 -11.661 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.839 -4.143 -12.317 1.00 0.00 H new ATOM 895 N ASN A 59 -3.244 -6.505 -11.640 1.00 0.00 N ATOM 896 CA ASN A 59 -2.911 -6.854 -13.009 1.00 0.00 C ATOM 897 C ASN A 59 -4.021 -6.410 -13.967 1.00 0.00 C ATOM 898 O ASN A 59 -5.130 -6.950 -13.924 1.00 0.00 O ATOM 899 CB ASN A 59 -2.663 -8.354 -13.132 1.00 0.00 C ATOM 900 CG ASN A 59 -2.106 -8.641 -14.518 1.00 0.00 C ATOM 901 OD1 ASN A 59 -2.842 -8.648 -15.500 1.00 0.00 O ATOM 902 ND2 ASN A 59 -0.797 -8.827 -14.624 1.00 0.00 N ATOM 0 H ASN A 59 -3.729 -7.245 -11.132 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.996 -6.330 -13.283 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.962 -8.686 -12.366 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.590 -8.905 -12.975 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.376 -8.981 -15.540 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.211 -8.816 -13.789 1.00 0.00 H new ATOM 909 N ILE A 60 -3.729 -5.432 -14.825 1.00 0.00 N ATOM 910 CA ILE A 60 -4.688 -4.882 -15.776 1.00 0.00 C ATOM 911 C ILE A 60 -5.093 -5.885 -16.858 1.00 0.00 C ATOM 912 O ILE A 60 -6.217 -5.822 -17.343 1.00 0.00 O ATOM 913 CB ILE A 60 -4.174 -3.568 -16.395 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.991 -3.813 -17.352 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.853 -2.561 -15.278 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.425 -2.537 -17.975 1.00 0.00 C ATOM 0 H ILE A 60 -2.808 -4.996 -14.878 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.591 -4.658 -15.208 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.958 -3.132 -17.014 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.196 -4.324 -16.808 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.314 -4.483 -18.149 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.490 -1.633 -15.719 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.755 -2.360 -14.699 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.087 -2.976 -14.623 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.596 -2.791 -18.636 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.205 -2.035 -18.548 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.070 -1.874 -17.186 1.00 0.00 H new ATOM 928 N ASP A 61 -4.214 -6.816 -17.247 1.00 0.00 N ATOM 929 CA ASP A 61 -4.574 -7.794 -18.273 1.00 0.00 C ATOM 930 C ASP A 61 -5.678 -8.689 -17.718 1.00 0.00 C ATOM 931 O ASP A 61 -6.681 -8.942 -18.381 1.00 0.00 O ATOM 932 CB ASP A 61 -3.376 -8.642 -18.719 1.00 0.00 C ATOM 933 CG ASP A 61 -2.197 -7.822 -19.229 1.00 0.00 C ATOM 934 OD1 ASP A 61 -2.413 -6.923 -20.072 1.00 0.00 O ATOM 935 OD2 ASP A 61 -1.077 -8.119 -18.764 1.00 0.00 O ATOM 0 H ASP A 61 -3.269 -6.911 -16.875 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.920 -7.257 -19.156 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.045 -9.255 -17.881 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.699 -9.325 -19.505 1.00 0.00 H new ATOM 940 N GLN A 62 -5.491 -9.146 -16.477 1.00 0.00 N ATOM 941 CA GLN A 62 -6.475 -9.956 -15.779 1.00 0.00 C ATOM 942 C GLN A 62 -7.733 -9.126 -15.512 1.00 0.00 C ATOM 943 O GLN A 62 -8.841 -9.655 -15.536 1.00 0.00 O ATOM 944 CB GLN A 62 -5.906 -10.446 -14.445 1.00 0.00 C ATOM 945 CG GLN A 62 -4.716 -11.405 -14.574 1.00 0.00 C ATOM 946 CD GLN A 62 -4.123 -11.706 -13.197 1.00 0.00 C ATOM 947 OE1 GLN A 62 -4.823 -11.674 -12.190 1.00 0.00 O ATOM 948 NE2 GLN A 62 -2.824 -11.972 -13.120 1.00 0.00 N ATOM 0 H GLN A 62 -4.649 -8.961 -15.932 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.725 -10.815 -16.402 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.598 -9.582 -13.857 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.699 -10.944 -13.887 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.037 -12.332 -15.049 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.954 -10.965 -15.217 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.257 -11.995 -13.968 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.394 -12.154 -12.213 1.00 0.00 H new ATOM 957 N ASN A 63 -7.551 -7.833 -15.213 1.00 0.00 N ATOM 958 CA ASN A 63 -8.631 -6.923 -14.840 1.00 0.00 C ATOM 959 C ASN A 63 -8.684 -5.674 -15.730 1.00 0.00 C ATOM 960 O ASN A 63 -8.307 -4.592 -15.270 1.00 0.00 O ATOM 961 CB ASN A 63 -8.424 -6.504 -13.380 1.00 0.00 C ATOM 962 CG ASN A 63 -8.314 -7.677 -12.424 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.317 -8.122 -11.869 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.095 -8.161 -12.201 1.00 0.00 N ATOM 0 H ASN A 63 -6.634 -7.387 -15.225 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.578 -7.446 -14.972 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.519 -5.901 -13.308 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.255 -5.870 -13.071 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.964 -8.933 -11.547 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.291 -7.760 -12.684 1.00 0.00 H new ATOM 971 N PRO A 64 -9.163 -5.782 -16.983 1.00 0.00 N ATOM 972 CA PRO A 64 -9.235 -4.663 -17.913 1.00 0.00 C ATOM 973 C PRO A 64 -9.911 -3.420 -17.328 1.00 0.00 C ATOM 974 O PRO A 64 -9.283 -2.368 -17.250 1.00 0.00 O ATOM 975 CB PRO A 64 -9.960 -5.192 -19.156 1.00 0.00 C ATOM 976 CG PRO A 64 -9.635 -6.684 -19.125 1.00 0.00 C ATOM 977 CD PRO A 64 -9.627 -6.998 -17.630 1.00 0.00 C ATOM 0 HA PRO A 64 -8.232 -4.313 -18.156 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.034 -5.010 -19.106 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.598 -4.718 -20.068 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.382 -7.272 -19.658 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.672 -6.898 -19.588 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.622 -7.274 -17.281 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.968 -7.837 -17.408 1.00 0.00 H new ATOM 985 N GLY A 65 -11.186 -3.537 -16.938 1.00 0.00 N ATOM 986 CA GLY A 65 -12.029 -2.461 -16.419 1.00 0.00 C ATOM 987 C GLY A 65 -11.303 -1.457 -15.521 1.00 0.00 C ATOM 988 O GLY A 65 -11.429 -0.243 -15.699 1.00 0.00 O ATOM 0 H GLY A 65 -11.679 -4.429 -16.979 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.468 -1.924 -17.260 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.852 -2.902 -15.857 1.00 0.00 H new ATOM 992 N THR A 66 -10.549 -1.959 -14.546 1.00 0.00 N ATOM 993 CA THR A 66 -9.809 -1.146 -13.602 1.00 0.00 C ATOM 994 C THR A 66 -8.882 -0.130 -14.276 1.00 0.00 C ATOM 995 O THR A 66 -8.713 0.975 -13.759 1.00 0.00 O ATOM 996 CB THR A 66 -9.071 -2.064 -12.612 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.231 -3.425 -12.973 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.646 -1.868 -11.207 1.00 0.00 C ATOM 0 H THR A 66 -10.437 -2.961 -14.393 1.00 0.00 H new ATOM 0 HA THR A 66 -10.520 -0.534 -13.047 1.00 0.00 H new ATOM 0 HB THR A 66 -8.012 -1.806 -12.634 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.769 -3.595 -13.820 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.123 -2.518 -10.506 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.518 -0.829 -10.903 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.707 -2.117 -11.210 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.299 -0.475 -15.431 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.423 0.447 -16.140 1.00 0.00 C ATOM 1008 C ALA A 67 -8.198 1.711 -16.543 1.00 0.00 C ATOM 1009 O ALA A 67 -7.929 2.756 -15.954 1.00 0.00 O ATOM 1010 CB ALA A 67 -6.623 -0.248 -17.251 1.00 0.00 C ATOM 0 H ALA A 67 -8.421 -1.380 -15.886 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.638 0.800 -15.471 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.985 0.481 -17.750 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.005 -1.034 -16.817 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.310 -0.685 -17.975 1.00 0.00 H new ATOM 1016 N PRO A 68 -9.163 1.671 -17.484 1.00 0.00 N ATOM 1017 CA PRO A 68 -9.992 2.829 -17.793 1.00 0.00 C ATOM 1018 C PRO A 68 -10.553 3.508 -16.537 1.00 0.00 C ATOM 1019 O PRO A 68 -10.446 4.728 -16.428 1.00 0.00 O ATOM 1020 CB PRO A 68 -11.118 2.316 -18.695 1.00 0.00 C ATOM 1021 CG PRO A 68 -10.464 1.137 -19.406 1.00 0.00 C ATOM 1022 CD PRO A 68 -9.570 0.550 -18.317 1.00 0.00 C ATOM 0 HA PRO A 68 -9.397 3.597 -18.287 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.991 2.008 -18.119 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.453 3.078 -19.398 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.201 0.416 -19.758 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.889 1.456 -20.275 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.107 -0.196 -17.732 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.703 0.051 -18.751 1.00 0.00 H new ATOM 1030 N LYS A 69 -11.134 2.743 -15.595 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.696 3.316 -14.370 1.00 0.00 C ATOM 1032 C LYS A 69 -10.726 4.291 -13.698 1.00 0.00 C ATOM 1033 O LYS A 69 -11.129 5.391 -13.326 1.00 0.00 O ATOM 1034 CB LYS A 69 -12.095 2.230 -13.361 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.376 1.478 -13.739 1.00 0.00 C ATOM 1036 CD LYS A 69 -13.700 0.459 -12.635 1.00 0.00 C ATOM 1037 CE LYS A 69 -14.904 -0.420 -12.988 1.00 0.00 C ATOM 1038 NZ LYS A 69 -14.576 -1.388 -14.051 1.00 0.00 N ATOM 0 H LYS A 69 -11.224 1.729 -15.663 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.589 3.860 -14.676 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.278 1.514 -13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.229 2.688 -12.381 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.202 2.178 -13.860 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.247 0.970 -14.695 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.830 -0.174 -12.462 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.900 0.988 -11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.238 -0.955 -12.099 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.733 0.210 -13.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.434 -1.908 -14.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.200 -0.881 -14.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.862 -2.058 -13.702 1.00 0.00 H new ATOM 1052 N TYR A 70 -9.459 3.894 -13.540 1.00 0.00 N ATOM 1053 CA TYR A 70 -8.449 4.735 -12.910 1.00 0.00 C ATOM 1054 C TYR A 70 -7.530 5.407 -13.935 1.00 0.00 C ATOM 1055 O TYR A 70 -6.406 5.777 -13.601 1.00 0.00 O ATOM 1056 CB TYR A 70 -7.711 3.910 -11.848 1.00 0.00 C ATOM 1057 CG TYR A 70 -8.611 3.567 -10.676 1.00 0.00 C ATOM 1058 CD1 TYR A 70 -8.991 4.584 -9.779 1.00 0.00 C ATOM 1059 CD2 TYR A 70 -9.252 2.316 -10.619 1.00 0.00 C ATOM 1060 CE1 TYR A 70 -10.039 4.371 -8.867 1.00 0.00 C ATOM 1061 CE2 TYR A 70 -10.303 2.103 -9.710 1.00 0.00 C ATOM 1062 CZ TYR A 70 -10.716 3.139 -8.857 1.00 0.00 C ATOM 1063 OH TYR A 70 -11.777 2.946 -8.025 1.00 0.00 O ATOM 0 H TYR A 70 -9.111 2.985 -13.845 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.929 5.572 -12.404 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.334 2.992 -12.298 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.846 4.468 -11.491 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.475 5.532 -9.792 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.936 1.518 -11.275 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -10.323 5.151 -8.176 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.793 1.142 -9.668 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.575 2.219 -7.400 1.00 0.00 H new ATOM 1073 N GLY A 71 -8.008 5.599 -15.172 1.00 0.00 N ATOM 1074 CA GLY A 71 -7.274 6.261 -16.244 1.00 0.00 C ATOM 1075 C GLY A 71 -5.846 5.737 -16.406 1.00 0.00 C ATOM 1076 O GLY A 71 -4.921 6.505 -16.671 1.00 0.00 O ATOM 0 H GLY A 71 -8.938 5.289 -15.455 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.813 6.126 -17.182 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.241 7.332 -16.046 1.00 0.00 H new ATOM 1080 N ILE A 72 -5.654 4.425 -16.267 1.00 0.00 N ATOM 1081 CA ILE A 72 -4.344 3.812 -16.406 1.00 0.00 C ATOM 1082 C ILE A 72 -4.053 3.711 -17.899 1.00 0.00 C ATOM 1083 O ILE A 72 -4.455 2.745 -18.546 1.00 0.00 O ATOM 1084 CB ILE A 72 -4.308 2.439 -15.719 1.00 0.00 C ATOM 1085 CG1 ILE A 72 -4.868 2.469 -14.288 1.00 0.00 C ATOM 1086 CG2 ILE A 72 -2.892 1.854 -15.739 1.00 0.00 C ATOM 1087 CD1 ILE A 72 -4.078 3.329 -13.304 1.00 0.00 C ATOM 0 H ILE A 72 -6.402 3.765 -16.056 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.576 4.413 -15.919 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.965 1.788 -16.295 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.895 2.834 -14.323 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.905 1.448 -13.907 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.893 0.882 -15.246 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.561 1.738 -16.771 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.213 2.526 -15.214 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.551 3.286 -12.323 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.057 2.954 -13.232 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.062 4.361 -13.654 1.00 0.00 H new ATOM 1099 N ARG A 73 -3.409 4.737 -18.459 1.00 0.00 N ATOM 1100 CA ARG A 73 -3.097 4.781 -19.887 1.00 0.00 C ATOM 1101 C ARG A 73 -1.811 4.007 -20.197 1.00 0.00 C ATOM 1102 O ARG A 73 -1.481 3.796 -21.361 1.00 0.00 O ATOM 1103 CB ARG A 73 -3.029 6.233 -20.388 1.00 0.00 C ATOM 1104 CG ARG A 73 -4.256 7.109 -20.073 1.00 0.00 C ATOM 1105 CD ARG A 73 -5.582 6.574 -20.633 1.00 0.00 C ATOM 1106 NE ARG A 73 -6.047 5.405 -19.878 1.00 0.00 N ATOM 1107 CZ ARG A 73 -6.913 4.483 -20.316 1.00 0.00 C ATOM 1108 NH1 ARG A 73 -7.751 4.772 -21.317 1.00 0.00 N ATOM 1109 NH2 ARG A 73 -6.913 3.270 -19.755 1.00 0.00 N ATOM 0 H ARG A 73 -3.091 5.555 -17.939 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.905 4.288 -20.428 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.148 6.706 -19.955 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.884 6.218 -21.468 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.347 7.209 -18.991 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.085 8.109 -20.472 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.338 7.358 -20.595 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.454 6.305 -21.682 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.677 5.284 -18.935 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.731 5.696 -21.748 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.410 4.068 -21.650 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.258 3.056 -19.003 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.568 2.558 -20.079 1.00 0.00 H new ATOM 1123 N GLY A 74 -1.085 3.573 -19.163 1.00 0.00 N ATOM 1124 CA GLY A 74 0.139 2.805 -19.271 1.00 0.00 C ATOM 1125 C GLY A 74 0.538 2.394 -17.858 1.00 0.00 C ATOM 1126 O GLY A 74 -0.045 2.891 -16.894 1.00 0.00 O ATOM 0 H GLY A 74 -1.351 3.759 -18.196 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.012 1.927 -19.899 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.926 3.399 -19.736 1.00 0.00 H new ATOM 1130 N ILE A 75 1.496 1.475 -17.733 1.00 0.00 N ATOM 1131 CA ILE A 75 1.998 0.950 -16.475 1.00 0.00 C ATOM 1132 C ILE A 75 3.536 0.959 -16.505 1.00 0.00 C ATOM 1133 O ILE A 75 4.102 0.975 -17.598 1.00 0.00 O ATOM 1134 CB ILE A 75 1.408 -0.457 -16.276 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.247 -1.269 -17.577 1.00 0.00 C ATOM 1136 CG2 ILE A 75 0.013 -0.333 -15.651 1.00 0.00 C ATOM 1137 CD1 ILE A 75 2.530 -1.522 -18.367 1.00 0.00 C ATOM 0 H ILE A 75 1.959 1.063 -18.543 1.00 0.00 H new ATOM 0 HA ILE A 75 1.694 1.564 -15.627 1.00 0.00 H new ATOM 0 HB ILE A 75 2.118 -0.985 -15.639 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.800 -2.232 -17.329 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.542 -0.747 -18.224 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.411 -1.327 -15.507 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.089 0.172 -14.688 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.632 0.244 -16.313 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.299 -2.101 -19.261 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.973 -0.569 -18.656 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.235 -2.077 -17.748 1.00 0.00 H new ATOM 1149 N PRO A 76 4.239 0.952 -15.357 1.00 0.00 N ATOM 1150 CA PRO A 76 3.716 0.949 -13.994 1.00 0.00 C ATOM 1151 C PRO A 76 3.072 2.293 -13.657 1.00 0.00 C ATOM 1152 O PRO A 76 3.564 3.338 -14.081 1.00 0.00 O ATOM 1153 CB PRO A 76 4.929 0.723 -13.081 1.00 0.00 C ATOM 1154 CG PRO A 76 6.092 1.276 -13.896 1.00 0.00 C ATOM 1155 CD PRO A 76 5.691 0.968 -15.339 1.00 0.00 C ATOM 0 HA PRO A 76 2.954 0.179 -13.870 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.820 1.246 -12.131 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.067 -0.333 -12.850 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.223 2.346 -13.735 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.034 0.796 -13.629 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.081 1.723 -16.022 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.096 0.008 -15.660 1.00 0.00 H new ATOM 1163 N THR A 77 1.988 2.251 -12.881 1.00 0.00 N ATOM 1164 CA THR A 77 1.273 3.431 -12.422 1.00 0.00 C ATOM 1165 C THR A 77 0.859 3.162 -10.980 1.00 0.00 C ATOM 1166 O THR A 77 0.202 2.160 -10.707 1.00 0.00 O ATOM 1167 CB THR A 77 0.098 3.738 -13.360 1.00 0.00 C ATOM 1168 OG1 THR A 77 0.619 4.203 -14.587 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.817 4.825 -12.799 1.00 0.00 C ATOM 0 H THR A 77 1.579 1.377 -12.551 1.00 0.00 H new ATOM 0 HA THR A 77 1.893 4.327 -12.444 1.00 0.00 H new ATOM 0 HB THR A 77 -0.484 2.824 -13.479 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.209 3.706 -15.326 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.634 5.009 -13.497 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.224 4.500 -11.841 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.247 5.743 -12.658 1.00 0.00 H new ATOM 1177 N LEU A 78 1.275 4.037 -10.065 1.00 0.00 N ATOM 1178 CA LEU A 78 1.046 3.939 -8.637 1.00 0.00 C ATOM 1179 C LEU A 78 -0.050 4.920 -8.232 1.00 0.00 C ATOM 1180 O LEU A 78 0.080 6.111 -8.512 1.00 0.00 O ATOM 1181 CB LEU A 78 2.343 4.300 -7.890 1.00 0.00 C ATOM 1182 CG LEU A 78 3.611 3.592 -8.395 1.00 0.00 C ATOM 1183 CD1 LEU A 78 4.818 4.067 -7.577 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.492 2.070 -8.290 1.00 0.00 C ATOM 0 H LEU A 78 1.805 4.870 -10.319 1.00 0.00 H new ATOM 0 HA LEU A 78 0.743 2.923 -8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.496 5.377 -7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.212 4.065 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 78 3.741 3.846 -9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.718 3.567 -7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.933 5.145 -7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.662 3.828 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.408 1.607 -8.657 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.335 1.788 -7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.648 1.729 -8.890 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.101 4.447 -7.554 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.164 5.289 -7.008 1.00 0.00 C ATOM 1198 C LEU A 79 -2.170 5.074 -5.497 1.00 0.00 C ATOM 1199 O LEU A 79 -2.389 3.949 -5.044 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.543 4.922 -7.573 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.936 5.629 -8.878 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -3.068 5.217 -10.068 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -5.409 5.345 -9.192 1.00 0.00 C ATOM 0 H LEU A 79 -1.237 3.453 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.974 6.328 -7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.572 3.845 -7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.296 5.147 -6.818 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.776 6.696 -8.723 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.396 5.751 -10.960 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.026 5.462 -9.861 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.162 4.144 -10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.687 5.847 -10.119 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.557 4.271 -9.303 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.032 5.715 -8.378 1.00 0.00 H new ATOM 1215 N LEU A 80 -1.939 6.135 -4.719 1.00 0.00 N ATOM 1216 CA LEU A 80 -1.949 6.074 -3.266 1.00 0.00 C ATOM 1217 C LEU A 80 -3.319 6.524 -2.762 1.00 0.00 C ATOM 1218 O LEU A 80 -3.615 7.717 -2.714 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.782 6.898 -2.709 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.735 6.960 -1.175 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -0.868 5.585 -0.507 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.595 7.590 -0.758 1.00 0.00 C ATOM 0 H LEU A 80 -1.739 7.064 -5.088 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.799 5.055 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.154 6.475 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.848 7.913 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.587 7.554 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.827 5.701 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.820 5.135 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.052 4.941 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.647 7.643 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.419 6.982 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.668 8.595 -1.174 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.148 5.550 -2.383 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.486 5.745 -1.859 1.00 0.00 C ATOM 1236 C PHE A 81 -5.409 5.892 -0.345 1.00 0.00 C ATOM 1237 O PHE A 81 -5.028 4.942 0.335 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.370 4.540 -2.202 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.724 4.400 -3.668 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.828 3.775 -4.552 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -7.992 4.799 -4.127 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.210 3.526 -5.880 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.376 4.549 -5.455 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.476 3.929 -6.339 1.00 0.00 C ATOM 0 H PHE A 81 -3.887 4.565 -2.438 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.918 6.641 -2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.861 3.632 -1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.293 4.610 -1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.845 3.486 -4.210 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.674 5.300 -3.456 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.529 3.023 -6.551 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.361 4.833 -5.796 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.757 3.763 -7.369 1.00 0.00 H new ATOM 1254 N LYS A 82 -5.807 7.046 0.187 1.00 0.00 N ATOM 1255 CA LYS A 82 -5.888 7.296 1.614 1.00 0.00 C ATOM 1256 C LYS A 82 -7.370 7.433 1.945 1.00 0.00 C ATOM 1257 O LYS A 82 -8.065 8.224 1.308 1.00 0.00 O ATOM 1258 CB LYS A 82 -5.099 8.550 1.995 1.00 0.00 C ATOM 1259 CG LYS A 82 -3.614 8.381 1.640 1.00 0.00 C ATOM 1260 CD LYS A 82 -2.757 9.544 2.162 1.00 0.00 C ATOM 1261 CE LYS A 82 -2.641 9.584 3.692 1.00 0.00 C ATOM 1262 NZ LYS A 82 -2.025 8.362 4.231 1.00 0.00 N ATOM 0 H LYS A 82 -6.087 7.847 -0.379 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.445 6.481 2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.507 9.416 1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.204 8.742 3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.246 7.444 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.507 8.310 0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.758 9.470 1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.185 10.484 1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.048 10.449 3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.632 9.713 4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.598 8.568 5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.752 7.626 4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.289 8.027 3.577 1.00 0.00 H new ATOM 1276 N ASN A 83 -7.872 6.639 2.893 1.00 0.00 N ATOM 1277 CA ASN A 83 -9.288 6.638 3.261 1.00 0.00 C ATOM 1278 C ASN A 83 -10.153 6.464 2.005 1.00 0.00 C ATOM 1279 O ASN A 83 -11.151 7.149 1.816 1.00 0.00 O ATOM 1280 CB ASN A 83 -9.618 7.916 4.058 1.00 0.00 C ATOM 1281 CG ASN A 83 -11.045 7.944 4.606 1.00 0.00 C ATOM 1282 OD1 ASN A 83 -11.886 8.708 4.144 1.00 0.00 O ATOM 1283 ND2 ASN A 83 -11.332 7.168 5.648 1.00 0.00 N ATOM 0 H ASN A 83 -7.307 5.978 3.427 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.512 5.794 3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.917 8.008 4.888 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.467 8.784 3.416 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -12.259 7.205 6.071 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -10.625 6.536 6.024 1.00 0.00 H new ATOM 1290 N GLY A 84 -9.747 5.554 1.113 1.00 0.00 N ATOM 1291 CA GLY A 84 -10.456 5.281 -0.125 1.00 0.00 C ATOM 1292 C GLY A 84 -10.305 6.347 -1.218 1.00 0.00 C ATOM 1293 O GLY A 84 -10.737 6.100 -2.341 1.00 0.00 O ATOM 0 H GLY A 84 -8.909 4.986 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.108 4.327 -0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.516 5.164 0.101 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.702 7.507 -0.934 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.555 8.590 -1.902 1.00 0.00 C ATOM 1299 C GLU A 85 -8.118 8.669 -2.417 1.00 0.00 C ATOM 1300 O GLU A 85 -7.180 8.650 -1.626 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.952 9.916 -1.239 1.00 0.00 C ATOM 1302 CG GLU A 85 -11.377 9.886 -0.661 1.00 0.00 C ATOM 1303 CD GLU A 85 -12.424 9.525 -1.710 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -12.449 10.219 -2.750 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -13.178 8.559 -1.460 1.00 0.00 O ATOM 0 H GLU A 85 -9.301 7.718 -0.020 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.207 8.395 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.245 10.145 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.878 10.720 -1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.420 9.164 0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.614 10.861 -0.236 1.00 0.00 H new ATOM 1312 N VAL A 86 -7.937 8.780 -3.737 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.618 8.921 -4.346 1.00 0.00 C ATOM 1314 C VAL A 86 -5.981 10.221 -3.839 1.00 0.00 C ATOM 1315 O VAL A 86 -6.380 11.306 -4.253 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.731 8.901 -5.880 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.344 9.041 -6.524 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.350 7.589 -6.371 1.00 0.00 C ATOM 0 H VAL A 86 -8.703 8.774 -4.410 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.980 8.084 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.368 9.738 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.443 9.025 -7.609 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.893 9.984 -6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.710 8.214 -6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.417 7.603 -7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.726 6.752 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.348 7.476 -5.947 1.00 0.00 H new ATOM 1328 N ALA A 87 -5.004 10.113 -2.936 1.00 0.00 N ATOM 1329 CA ALA A 87 -4.319 11.258 -2.354 1.00 0.00 C ATOM 1330 C ALA A 87 -3.222 11.758 -3.289 1.00 0.00 C ATOM 1331 O ALA A 87 -3.072 12.962 -3.487 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.731 10.863 -1.001 1.00 0.00 C ATOM 0 H ALA A 87 -4.666 9.216 -2.588 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.034 12.068 -2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.218 11.719 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.532 10.542 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.023 10.046 -1.137 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.450 10.831 -3.862 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.364 11.142 -4.775 1.00 0.00 C ATOM 1340 C ALA A 88 -1.167 9.959 -5.710 1.00 0.00 C ATOM 1341 O ALA A 88 -1.688 8.870 -5.453 1.00 0.00 O ATOM 1342 CB ALA A 88 -0.086 11.444 -3.990 1.00 0.00 C ATOM 0 H ALA A 88 -2.569 9.831 -3.698 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.606 12.028 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.721 11.676 -4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.256 12.297 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.188 10.575 -3.392 1.00 0.00 H new ATOM 1348 N THR A 89 -0.416 10.167 -6.793 1.00 0.00 N ATOM 1349 CA THR A 89 -0.152 9.141 -7.785 1.00 0.00 C ATOM 1350 C THR A 89 1.262 9.311 -8.336 1.00 0.00 C ATOM 1351 O THR A 89 1.896 10.343 -8.106 1.00 0.00 O ATOM 1352 CB THR A 89 -1.182 9.240 -8.928 1.00 0.00 C ATOM 1353 OG1 THR A 89 -0.995 10.432 -9.661 1.00 0.00 O ATOM 1354 CG2 THR A 89 -2.632 9.234 -8.441 1.00 0.00 C ATOM 0 H THR A 89 0.027 11.062 -7.002 1.00 0.00 H new ATOM 0 HA THR A 89 -0.237 8.159 -7.319 1.00 0.00 H new ATOM 0 HB THR A 89 -1.014 8.356 -9.543 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.655 10.479 -10.384 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.303 9.306 -9.297 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.831 8.308 -7.901 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.797 10.083 -7.778 1.00 0.00 H new ATOM 1362 N LYS A 90 1.729 8.314 -9.088 1.00 0.00 N ATOM 1363 CA LYS A 90 2.999 8.327 -9.797 1.00 0.00 C ATOM 1364 C LYS A 90 2.824 7.453 -11.039 1.00 0.00 C ATOM 1365 O LYS A 90 2.028 6.517 -11.017 1.00 0.00 O ATOM 1366 CB LYS A 90 4.147 7.819 -8.904 1.00 0.00 C ATOM 1367 CG LYS A 90 5.150 8.924 -8.536 1.00 0.00 C ATOM 1368 CD LYS A 90 5.962 9.503 -9.712 1.00 0.00 C ATOM 1369 CE LYS A 90 7.237 8.734 -10.090 1.00 0.00 C ATOM 1370 NZ LYS A 90 6.973 7.424 -10.709 1.00 0.00 N ATOM 0 H LYS A 90 1.211 7.446 -9.222 1.00 0.00 H new ATOM 0 HA LYS A 90 3.270 9.344 -10.081 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.730 7.395 -7.991 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.672 7.014 -9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.607 9.738 -8.057 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.846 8.527 -7.797 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.315 9.548 -10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.239 10.529 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.826 9.340 -10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.842 8.589 -9.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.852 7.051 -11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.621 6.763 -9.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.259 7.531 -11.457 1.00 0.00 H new ATOM 1384 N VAL A 91 3.567 7.745 -12.106 1.00 0.00 N ATOM 1385 CA VAL A 91 3.564 6.995 -13.354 1.00 0.00 C ATOM 1386 C VAL A 91 5.031 6.706 -13.658 1.00 0.00 C ATOM 1387 O VAL A 91 5.880 7.561 -13.403 1.00 0.00 O ATOM 1388 CB VAL A 91 2.878 7.803 -14.474 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.839 7.006 -15.785 1.00 0.00 C ATOM 1390 CG2 VAL A 91 1.437 8.165 -14.095 1.00 0.00 C ATOM 0 H VAL A 91 4.208 8.538 -12.122 1.00 0.00 H new ATOM 0 HA VAL A 91 2.997 6.067 -13.279 1.00 0.00 H new ATOM 0 HB VAL A 91 3.464 8.712 -14.608 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.350 7.600 -16.557 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.856 6.770 -16.098 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.283 6.081 -15.632 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.980 8.734 -14.904 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.865 7.253 -13.925 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.440 8.766 -13.186 1.00 0.00 H new ATOM 1400 N GLY A 92 5.336 5.506 -14.151 1.00 0.00 N ATOM 1401 CA GLY A 92 6.702 5.093 -14.417 1.00 0.00 C ATOM 1402 C GLY A 92 7.386 4.640 -13.125 1.00 0.00 C ATOM 1403 O GLY A 92 6.855 4.806 -12.028 1.00 0.00 O ATOM 0 H GLY A 92 4.638 4.797 -14.375 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.708 4.280 -15.143 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.258 5.919 -14.860 1.00 0.00 H new ATOM 1407 N ALA A 93 8.571 4.040 -13.260 1.00 0.00 N ATOM 1408 CA ALA A 93 9.346 3.581 -12.117 1.00 0.00 C ATOM 1409 C ALA A 93 9.970 4.775 -11.386 1.00 0.00 C ATOM 1410 O ALA A 93 9.911 5.910 -11.855 1.00 0.00 O ATOM 1411 CB ALA A 93 10.418 2.597 -12.597 1.00 0.00 C ATOM 0 H ALA A 93 9.014 3.862 -14.161 1.00 0.00 H new ATOM 0 HA ALA A 93 8.694 3.067 -11.411 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.002 2.250 -11.744 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.940 1.745 -13.080 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.076 3.095 -13.309 1.00 0.00 H new ATOM 1417 N LEU A 94 10.590 4.505 -10.238 1.00 0.00 N ATOM 1418 CA LEU A 94 11.284 5.479 -9.412 1.00 0.00 C ATOM 1419 C LEU A 94 12.227 4.707 -8.492 1.00 0.00 C ATOM 1420 O LEU A 94 12.065 3.499 -8.326 1.00 0.00 O ATOM 1421 CB LEU A 94 10.310 6.383 -8.636 1.00 0.00 C ATOM 1422 CG LEU A 94 9.522 5.703 -7.501 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.773 6.777 -6.707 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.503 4.677 -8.009 1.00 0.00 C ATOM 0 H LEU A 94 10.621 3.563 -9.847 1.00 0.00 H new ATOM 0 HA LEU A 94 11.857 6.163 -10.038 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.874 7.214 -8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.598 6.808 -9.343 1.00 0.00 H new ATOM 0 HG LEU A 94 10.244 5.170 -6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.211 6.307 -5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.488 7.484 -6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.086 7.305 -7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.980 4.233 -7.162 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.783 5.171 -8.661 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.020 3.896 -8.566 1.00 0.00 H new ATOM 1436 N SER A 95 13.215 5.389 -7.915 1.00 0.00 N ATOM 1437 CA SER A 95 14.199 4.783 -7.041 1.00 0.00 C ATOM 1438 C SER A 95 13.635 4.599 -5.627 1.00 0.00 C ATOM 1439 O SER A 95 12.758 5.343 -5.188 1.00 0.00 O ATOM 1440 CB SER A 95 15.467 5.645 -7.092 1.00 0.00 C ATOM 1441 OG SER A 95 15.126 6.999 -7.343 1.00 0.00 O ATOM 0 H SER A 95 13.350 6.391 -8.048 1.00 0.00 H new ATOM 0 HA SER A 95 14.457 3.778 -7.375 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.007 5.567 -6.149 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.134 5.279 -7.873 1.00 0.00 H new ATOM 0 HG SER A 95 15.940 7.512 -7.530 1.00 0.00 H new ATOM 1447 N LYS A 96 14.143 3.587 -4.918 1.00 0.00 N ATOM 1448 CA LYS A 96 13.706 3.218 -3.579 1.00 0.00 C ATOM 1449 C LYS A 96 13.667 4.422 -2.632 1.00 0.00 C ATOM 1450 O LYS A 96 12.676 4.618 -1.935 1.00 0.00 O ATOM 1451 CB LYS A 96 14.592 2.078 -3.060 1.00 0.00 C ATOM 1452 CG LYS A 96 14.070 1.481 -1.746 1.00 0.00 C ATOM 1453 CD LYS A 96 14.786 0.151 -1.464 1.00 0.00 C ATOM 1454 CE LYS A 96 14.121 -0.627 -0.322 1.00 0.00 C ATOM 1455 NZ LYS A 96 14.138 0.129 0.940 1.00 0.00 N ATOM 0 H LYS A 96 14.889 2.989 -5.274 1.00 0.00 H new ATOM 0 HA LYS A 96 12.677 2.860 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.649 1.294 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.606 2.449 -2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.240 2.178 -0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.994 1.320 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.786 -0.460 -2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.828 0.346 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.091 -0.859 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.636 -1.578 -0.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.563 -0.368 1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.117 0.211 1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.746 1.079 0.781 1.00 0.00 H new ATOM 1469 N GLY A 97 14.729 5.234 -2.609 1.00 0.00 N ATOM 1470 CA GLY A 97 14.786 6.422 -1.767 1.00 0.00 C ATOM 1471 C GLY A 97 13.594 7.338 -2.048 1.00 0.00 C ATOM 1472 O GLY A 97 12.810 7.649 -1.155 1.00 0.00 O ATOM 0 H GLY A 97 15.566 5.083 -3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.788 6.130 -0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.716 6.960 -1.950 1.00 0.00 H new ATOM 1476 N GLN A 98 13.440 7.739 -3.312 1.00 0.00 N ATOM 1477 CA GLN A 98 12.347 8.588 -3.765 1.00 0.00 C ATOM 1478 C GLN A 98 11.002 7.983 -3.357 1.00 0.00 C ATOM 1479 O GLN A 98 10.136 8.693 -2.850 1.00 0.00 O ATOM 1480 CB GLN A 98 12.447 8.796 -5.286 1.00 0.00 C ATOM 1481 CG GLN A 98 13.387 9.958 -5.645 1.00 0.00 C ATOM 1482 CD GLN A 98 14.759 9.864 -4.983 1.00 0.00 C ATOM 1483 OE1 GLN A 98 15.137 10.725 -4.198 1.00 0.00 O ATOM 1484 NE2 GLN A 98 15.521 8.820 -5.286 1.00 0.00 N ATOM 0 H GLN A 98 14.084 7.476 -4.058 1.00 0.00 H new ATOM 0 HA GLN A 98 12.421 9.566 -3.289 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.807 7.880 -5.755 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.455 8.993 -5.691 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.517 9.988 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.917 10.897 -5.354 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.184 8.116 -5.943 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.444 8.722 -4.862 1.00 0.00 H new ATOM 1493 N LEU A 99 10.828 6.674 -3.556 1.00 0.00 N ATOM 1494 CA LEU A 99 9.605 5.989 -3.160 1.00 0.00 C ATOM 1495 C LEU A 99 9.376 6.153 -1.654 1.00 0.00 C ATOM 1496 O LEU A 99 8.312 6.614 -1.245 1.00 0.00 O ATOM 1497 CB LEU A 99 9.660 4.524 -3.611 1.00 0.00 C ATOM 1498 CG LEU A 99 8.419 3.691 -3.259 1.00 0.00 C ATOM 1499 CD1 LEU A 99 7.111 4.279 -3.805 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.600 2.288 -3.845 1.00 0.00 C ATOM 0 H LEU A 99 11.525 6.069 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 99 8.744 6.437 -3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.803 4.497 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.535 4.054 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 99 8.336 3.680 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.277 3.639 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.961 5.277 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.165 4.339 -4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.728 1.679 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.709 2.357 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.492 1.828 -3.419 1.00 0.00 H new ATOM 1512 N LYS A 100 10.368 5.812 -0.825 1.00 0.00 N ATOM 1513 CA LYS A 100 10.257 5.955 0.623 1.00 0.00 C ATOM 1514 C LYS A 100 9.880 7.385 1.014 1.00 0.00 C ATOM 1515 O LYS A 100 8.986 7.586 1.836 1.00 0.00 O ATOM 1516 CB LYS A 100 11.561 5.559 1.326 1.00 0.00 C ATOM 1517 CG LYS A 100 11.792 4.045 1.306 1.00 0.00 C ATOM 1518 CD LYS A 100 13.038 3.635 2.104 1.00 0.00 C ATOM 1519 CE LYS A 100 12.995 4.034 3.585 1.00 0.00 C ATOM 1520 NZ LYS A 100 11.762 3.577 4.249 1.00 0.00 N ATOM 0 H LYS A 100 11.261 5.433 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 100 9.464 5.281 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.399 6.059 0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.536 5.907 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.918 3.541 1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.897 3.709 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.161 2.554 2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.916 4.087 1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.859 3.613 4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.071 5.118 3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.828 3.763 5.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.946 4.088 3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.640 2.556 4.090 1.00 0.00 H new ATOM 1534 N GLU A 101 10.571 8.368 0.429 1.00 0.00 N ATOM 1535 CA GLU A 101 10.341 9.782 0.685 1.00 0.00 C ATOM 1536 C GLU A 101 8.895 10.145 0.344 1.00 0.00 C ATOM 1537 O GLU A 101 8.188 10.713 1.171 1.00 0.00 O ATOM 1538 CB GLU A 101 11.338 10.616 -0.131 1.00 0.00 C ATOM 1539 CG GLU A 101 12.776 10.444 0.384 1.00 0.00 C ATOM 1540 CD GLU A 101 13.804 10.873 -0.660 1.00 0.00 C ATOM 1541 OE1 GLU A 101 13.619 11.979 -1.213 1.00 0.00 O ATOM 1542 OE2 GLU A 101 14.748 10.086 -0.889 1.00 0.00 O ATOM 0 H GLU A 101 11.316 8.195 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 101 10.498 9.999 1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.289 10.320 -1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.057 11.668 -0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.911 11.033 1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.944 9.401 0.653 1.00 0.00 H new ATOM 1549 N PHE A 102 8.454 9.801 -0.868 1.00 0.00 N ATOM 1550 CA PHE A 102 7.095 10.045 -1.338 1.00 0.00 C ATOM 1551 C PHE A 102 6.085 9.453 -0.354 1.00 0.00 C ATOM 1552 O PHE A 102 5.178 10.143 0.120 1.00 0.00 O ATOM 1553 CB PHE A 102 6.938 9.444 -2.744 1.00 0.00 C ATOM 1554 CG PHE A 102 5.525 9.451 -3.297 1.00 0.00 C ATOM 1555 CD1 PHE A 102 5.034 10.583 -3.974 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.728 8.293 -3.206 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.769 10.545 -4.588 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.455 8.262 -3.804 1.00 0.00 C ATOM 1559 CZ PHE A 102 2.981 9.383 -4.507 1.00 0.00 C ATOM 0 H PHE A 102 9.044 9.338 -1.559 1.00 0.00 H new ATOM 0 HA PHE A 102 6.903 11.116 -1.396 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.582 9.994 -3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.298 8.415 -2.724 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.630 11.483 -4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.095 7.427 -2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.403 11.409 -5.122 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.842 7.377 -3.723 1.00 0.00 H new ATOM 0 HZ PHE A 102 2.013 9.352 -4.984 1.00 0.00 H new ATOM 1569 N LEU A 103 6.239 8.167 -0.039 1.00 0.00 N ATOM 1570 CA LEU A 103 5.347 7.477 0.877 1.00 0.00 C ATOM 1571 C LEU A 103 5.323 8.178 2.231 1.00 0.00 C ATOM 1572 O LEU A 103 4.249 8.508 2.727 1.00 0.00 O ATOM 1573 CB LEU A 103 5.763 6.011 1.013 1.00 0.00 C ATOM 1574 CG LEU A 103 5.573 5.234 -0.299 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.270 3.878 -0.171 1.00 0.00 C ATOM 1576 CD2 LEU A 103 4.091 5.064 -0.654 1.00 0.00 C ATOM 0 H LEU A 103 6.985 7.581 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 103 4.335 7.504 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.808 5.958 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.177 5.540 1.802 1.00 0.00 H new ATOM 0 HG LEU A 103 6.020 5.802 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.143 3.315 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.333 4.031 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.831 3.320 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.002 4.509 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.587 4.517 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.630 6.045 -0.769 1.00 0.00 H new ATOM 1588 N ASP A 104 6.493 8.429 2.818 1.00 0.00 N ATOM 1589 CA ASP A 104 6.603 9.111 4.101 1.00 0.00 C ATOM 1590 C ASP A 104 5.872 10.454 4.058 1.00 0.00 C ATOM 1591 O ASP A 104 5.038 10.734 4.916 1.00 0.00 O ATOM 1592 CB ASP A 104 8.077 9.298 4.471 1.00 0.00 C ATOM 1593 CG ASP A 104 8.209 10.025 5.804 1.00 0.00 C ATOM 1594 OD1 ASP A 104 8.065 9.340 6.838 1.00 0.00 O ATOM 1595 OD2 ASP A 104 8.442 11.252 5.762 1.00 0.00 O ATOM 0 H ASP A 104 7.391 8.163 2.414 1.00 0.00 H new ATOM 0 HA ASP A 104 6.132 8.498 4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.568 8.327 4.530 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.584 9.865 3.690 1.00 0.00 H new ATOM 1600 N ALA A 105 6.176 11.276 3.050 1.00 0.00 N ATOM 1601 CA ALA A 105 5.573 12.586 2.861 1.00 0.00 C ATOM 1602 C ALA A 105 4.046 12.501 2.787 1.00 0.00 C ATOM 1603 O ALA A 105 3.356 13.360 3.329 1.00 0.00 O ATOM 1604 CB ALA A 105 6.146 13.240 1.601 1.00 0.00 C ATOM 0 H ALA A 105 6.861 11.040 2.333 1.00 0.00 H new ATOM 0 HA ALA A 105 5.816 13.203 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.692 14.221 1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.225 13.351 1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.929 12.614 0.735 1.00 0.00 H new ATOM 1610 N ASN A 106 3.513 11.467 2.128 1.00 0.00 N ATOM 1611 CA ASN A 106 2.067 11.327 1.979 1.00 0.00 C ATOM 1612 C ASN A 106 1.447 10.798 3.271 1.00 0.00 C ATOM 1613 O ASN A 106 0.405 11.289 3.696 1.00 0.00 O ATOM 1614 CB ASN A 106 1.734 10.375 0.825 1.00 0.00 C ATOM 1615 CG ASN A 106 1.751 11.073 -0.529 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.724 11.559 -0.985 1.00 0.00 O ATOM 1617 ND2 ASN A 106 2.902 11.121 -1.190 1.00 0.00 N ATOM 0 H ASN A 106 4.058 10.722 1.694 1.00 0.00 H new ATOM 0 HA ASN A 106 1.653 12.311 1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.451 9.554 0.816 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.750 9.937 0.992 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.947 11.572 -2.104 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.741 10.707 -0.784 1.00 0.00 H new ATOM 1624 N LEU A 107 2.075 9.809 3.908 1.00 0.00 N ATOM 1625 CA LEU A 107 1.597 9.254 5.169 1.00 0.00 C ATOM 1626 C LEU A 107 1.566 10.357 6.228 1.00 0.00 C ATOM 1627 O LEU A 107 0.582 10.502 6.949 1.00 0.00 O ATOM 1628 CB LEU A 107 2.486 8.080 5.602 1.00 0.00 C ATOM 1629 CG LEU A 107 2.299 6.833 4.721 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.508 5.909 4.888 1.00 0.00 C ATOM 1631 CD2 LEU A 107 1.030 6.057 5.091 1.00 0.00 C ATOM 0 H LEU A 107 2.929 9.372 3.562 1.00 0.00 H new ATOM 0 HA LEU A 107 0.585 8.869 5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.531 8.390 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.263 7.824 6.638 1.00 0.00 H new ATOM 0 HG LEU A 107 2.206 7.168 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.378 5.024 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.413 6.436 4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.594 5.608 5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.936 5.184 4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.091 5.734 6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.159 6.700 4.961 1.00 0.00 H new ATOM 1643 N ALA A 108 2.635 11.154 6.308 1.00 0.00 N ATOM 1644 CA ALA A 108 2.725 12.272 7.231 1.00 0.00 C ATOM 1645 C ALA A 108 1.622 13.284 6.922 1.00 0.00 C ATOM 1646 O ALA A 108 1.448 14.257 7.653 1.00 0.00 O ATOM 1647 CB ALA A 108 4.112 12.913 7.126 1.00 0.00 C ATOM 0 H ALA A 108 3.465 11.035 5.727 1.00 0.00 H new ATOM 0 HA ALA A 108 2.587 11.921 8.254 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.179 13.752 7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.874 12.175 7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.272 13.269 6.108 1.00 0.00 H new TER 1653 ALA A 108