USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 THR OG1 : rot -40:sc= 1.06 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -140:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 9 SER OG : rot 110:sc= -1.3! USER MOD Set 2.2: A 25 SER OG : rot 171:sc= 0.203 USER MOD Single : A 1 SER N :NH3+ -138:sc= -1.89 (180deg=-3.87!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= -0.404 X(o=-0.4,f=-0.38) USER MOD Single : A 3 SER OG : rot 180:sc= -0.879 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -174:sc= -4.19! (180deg=-4.57!) USER MOD Single : A 6 ASN : amide:sc= -1.82 K(o=-1.8,f=-12!) USER MOD Single : A 8 LYS NZ :NH3+ -154:sc= -0.0286 (180deg=-0.44) USER MOD Single : A 11 THR OG1 : rot -80:sc= 0.897 USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= -0.0267 (180deg=-0.241) USER MOD Single : A 17 LYS NZ :NH3+ -127:sc= 0.805 (180deg=-1.7) USER MOD Single : A 18 ASN : amide:sc= -0.671 K(o=-0.67,f=-1.6!) USER MOD Single : A 21 MET CE :methyl 155:sc= -0.063 (180deg=-0.536) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.262 K(o=-0.26,f=-2.7!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 150:sc= 0 USER MOD Single : A 32 SER OG : rot -130:sc= -1.29 USER MOD Single : A 36 SER OG : rot -65:sc=-0.000412 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0292 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -158:sc= -2.57! (180deg=-4.42!) USER MOD Single : A 84 SER OG : rot 94:sc= 1.3 USER MOD Single : A 86 TYR OH : rot 165:sc= -0.749 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.107 -15.647 -2.722 1.00 5.27 N ATOM 2 CA SER A 1 5.975 -15.086 -4.090 1.00 4.57 C ATOM 3 C SER A 1 4.689 -14.278 -4.225 1.00 3.87 C ATOM 4 O SER A 1 4.067 -13.918 -3.227 1.00 4.07 O ATOM 5 CB SER A 1 5.989 -16.216 -5.123 1.00 4.91 C ATOM 6 OG SER A 1 4.925 -17.124 -4.898 1.00 5.15 O ATOM 0 H1 SER A 1 7.090 -15.546 -2.399 1.00 5.27 H new ATOM 0 H2 SER A 1 5.475 -15.134 -2.074 1.00 5.27 H new ATOM 0 H3 SER A 1 5.848 -16.654 -2.733 1.00 5.27 H new ATOM 0 HA SER A 1 6.820 -14.421 -4.270 1.00 4.57 H new ATOM 0 HB2 SER A 1 5.908 -15.797 -6.126 1.00 4.91 H new ATOM 0 HB3 SER A 1 6.940 -16.746 -5.074 1.00 4.91 H new ATOM 0 HG SER A 1 4.954 -17.835 -5.571 1.00 5.15 H new ATOM 14 N ASN A 2 4.301 -13.996 -5.467 1.00 3.40 N ATOM 15 CA ASN A 2 3.089 -13.231 -5.742 1.00 2.96 C ATOM 16 C ASN A 2 3.169 -11.837 -5.123 1.00 2.16 C ATOM 17 O ASN A 2 2.389 -11.493 -4.235 1.00 2.43 O ATOM 18 CB ASN A 2 1.858 -13.976 -5.213 1.00 3.50 C ATOM 19 CG ASN A 2 0.557 -13.305 -5.609 1.00 3.39 C ATOM 20 OD1 ASN A 2 0.041 -12.451 -4.889 1.00 3.86 O ATOM 21 ND2 ASN A 2 0.016 -13.692 -6.759 1.00 3.25 N ATOM 0 H ASN A 2 4.811 -14.287 -6.301 1.00 3.40 H new ATOM 0 HA ASN A 2 2.997 -13.119 -6.822 1.00 2.96 H new ATOM 0 HB2 ASN A 2 1.866 -14.998 -5.592 1.00 3.50 H new ATOM 0 HB3 ASN A 2 1.915 -14.038 -4.126 1.00 3.50 H new ATOM 0 HD21 ASN A 2 -0.861 -13.277 -7.075 1.00 3.25 H new ATOM 0 HD22 ASN A 2 0.477 -14.404 -7.326 1.00 3.25 H new ATOM 28 N SER A 3 4.123 -11.041 -5.597 1.00 1.75 N ATOM 29 CA SER A 3 4.303 -9.681 -5.098 1.00 1.09 C ATOM 30 C SER A 3 3.519 -8.697 -5.957 1.00 0.88 C ATOM 31 O SER A 3 3.633 -7.482 -5.795 1.00 1.68 O ATOM 32 CB SER A 3 5.787 -9.307 -5.099 1.00 1.05 C ATOM 33 OG SER A 3 6.591 -10.415 -4.735 1.00 1.79 O ATOM 0 H SER A 3 4.783 -11.314 -6.325 1.00 1.75 H new ATOM 0 HA SER A 3 3.929 -9.634 -4.075 1.00 1.09 H new ATOM 0 HB2 SER A 3 6.076 -8.953 -6.089 1.00 1.05 H new ATOM 0 HB3 SER A 3 5.959 -8.485 -4.404 1.00 1.05 H new ATOM 0 HG SER A 3 7.535 -10.151 -4.745 1.00 1.79 H new ATOM 39 N SER A 4 2.719 -9.239 -6.871 1.00 0.65 N ATOM 40 CA SER A 4 1.912 -8.427 -7.771 1.00 0.69 C ATOM 41 C SER A 4 0.884 -7.604 -7.003 1.00 0.84 C ATOM 42 O SER A 4 0.467 -7.974 -5.905 1.00 1.84 O ATOM 43 CB SER A 4 1.199 -9.319 -8.787 1.00 1.16 C ATOM 44 OG SER A 4 0.522 -8.544 -9.760 1.00 1.99 O ATOM 0 H SER A 4 2.613 -10.244 -7.007 1.00 0.65 H new ATOM 0 HA SER A 4 2.581 -7.742 -8.292 1.00 0.69 H new ATOM 0 HB2 SER A 4 1.924 -9.970 -9.276 1.00 1.16 H new ATOM 0 HB3 SER A 4 0.487 -9.965 -8.272 1.00 1.16 H new ATOM 0 HG SER A 4 0.076 -9.138 -10.399 1.00 1.99 H new ATOM 50 N MET A 5 0.480 -6.486 -7.594 1.00 0.47 N ATOM 51 CA MET A 5 -0.506 -5.606 -6.982 1.00 0.38 C ATOM 52 C MET A 5 -1.911 -6.175 -7.157 1.00 0.54 C ATOM 53 O MET A 5 -2.486 -6.096 -8.241 1.00 1.22 O ATOM 54 CB MET A 5 -0.431 -4.214 -7.608 1.00 0.40 C ATOM 55 CG MET A 5 0.651 -3.335 -7.007 1.00 0.34 C ATOM 56 SD MET A 5 2.269 -4.127 -7.002 1.00 0.56 S ATOM 57 CE MET A 5 3.213 -2.920 -6.079 1.00 0.37 C ATOM 0 H MET A 5 0.822 -6.167 -8.500 1.00 0.47 H new ATOM 0 HA MET A 5 -0.286 -5.531 -5.917 1.00 0.38 H new ATOM 0 HB2 MET A 5 -0.252 -4.315 -8.678 1.00 0.40 H new ATOM 0 HB3 MET A 5 -1.395 -3.720 -7.491 1.00 0.40 H new ATOM 0 HG2 MET A 5 0.709 -2.403 -7.569 1.00 0.34 H new ATOM 0 HG3 MET A 5 0.376 -3.075 -5.985 1.00 0.34 H new ATOM 0 HE1 MET A 5 4.265 -3.206 -6.076 1.00 0.37 H new ATOM 0 HE2 MET A 5 3.105 -1.940 -6.544 1.00 0.37 H new ATOM 0 HE3 MET A 5 2.845 -2.877 -5.054 1.00 0.37 H new ATOM 67 N ASN A 6 -2.459 -6.749 -6.089 1.00 0.27 N ATOM 68 CA ASN A 6 -3.797 -7.331 -6.143 1.00 0.24 C ATOM 69 C ASN A 6 -4.862 -6.303 -5.754 1.00 0.24 C ATOM 70 O ASN A 6 -4.973 -5.927 -4.590 1.00 0.25 O ATOM 71 CB ASN A 6 -3.883 -8.554 -5.233 1.00 0.28 C ATOM 72 CG ASN A 6 -5.186 -9.309 -5.400 1.00 0.92 C ATOM 73 OD1 ASN A 6 -6.149 -9.076 -4.674 1.00 1.72 O ATOM 74 ND2 ASN A 6 -5.218 -10.222 -6.363 1.00 0.87 N ATOM 0 H ASN A 6 -2.000 -6.823 -5.181 1.00 0.27 H new ATOM 0 HA ASN A 6 -3.987 -7.643 -7.170 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -3.049 -9.222 -5.448 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -3.780 -8.239 -4.195 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -6.067 -10.764 -6.524 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -4.394 -10.382 -6.942 1.00 0.87 H new ATOM 81 N PRO A 7 -5.669 -5.850 -6.728 1.00 0.25 N ATOM 82 CA PRO A 7 -6.719 -4.851 -6.492 1.00 0.26 C ATOM 83 C PRO A 7 -7.746 -5.291 -5.457 1.00 0.26 C ATOM 84 O PRO A 7 -8.431 -4.461 -4.867 1.00 0.26 O ATOM 85 CB PRO A 7 -7.394 -4.693 -7.860 1.00 0.28 C ATOM 86 CG PRO A 7 -6.424 -5.237 -8.851 1.00 0.43 C ATOM 87 CD PRO A 7 -5.628 -6.286 -8.131 1.00 0.29 C ATOM 0 HA PRO A 7 -6.294 -3.929 -6.095 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -8.338 -5.237 -7.896 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -7.621 -3.647 -8.067 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -6.943 -5.664 -9.709 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -5.774 -4.449 -9.232 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -6.065 -7.277 -8.256 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.605 -6.340 -8.504 1.00 0.29 H new ATOM 95 N LYS A 8 -7.869 -6.594 -5.245 1.00 0.30 N ATOM 96 CA LYS A 8 -8.828 -7.106 -4.273 1.00 0.33 C ATOM 97 C LYS A 8 -8.286 -6.981 -2.853 1.00 0.27 C ATOM 98 O LYS A 8 -8.991 -6.538 -1.946 1.00 0.26 O ATOM 99 CB LYS A 8 -9.184 -8.563 -4.577 1.00 0.43 C ATOM 100 CG LYS A 8 -9.626 -8.796 -6.013 1.00 0.77 C ATOM 101 CD LYS A 8 -8.441 -9.076 -6.923 1.00 0.59 C ATOM 102 CE LYS A 8 -8.554 -8.324 -8.239 1.00 0.73 C ATOM 103 NZ LYS A 8 -9.881 -8.524 -8.883 1.00 1.39 N ATOM 0 H LYS A 8 -7.324 -7.310 -5.726 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.733 -6.504 -4.349 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -8.319 -9.191 -4.366 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -9.981 -8.881 -3.905 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -10.320 -9.636 -6.049 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -10.165 -7.921 -6.375 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -7.518 -8.790 -6.418 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -8.378 -10.146 -7.119 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -8.393 -7.260 -8.064 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -7.768 -8.658 -8.916 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -9.791 -8.396 -9.911 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -10.223 -9.486 -8.683 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -10.558 -7.831 -8.506 1.00 1.39 H new ATOM 117 N SER A 9 -7.030 -7.371 -2.669 1.00 0.26 N ATOM 118 CA SER A 9 -6.392 -7.315 -1.360 1.00 0.26 C ATOM 119 C SER A 9 -5.972 -5.896 -1.003 1.00 0.19 C ATOM 120 O SER A 9 -6.259 -5.412 0.092 1.00 0.23 O ATOM 121 CB SER A 9 -5.179 -8.247 -1.327 1.00 0.33 C ATOM 122 OG SER A 9 -4.597 -8.288 -0.037 1.00 0.71 O ATOM 0 H SER A 9 -6.432 -7.731 -3.413 1.00 0.26 H new ATOM 0 HA SER A 9 -7.120 -7.644 -0.619 1.00 0.26 H new ATOM 0 HB2 SER A 9 -5.481 -9.251 -1.624 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.438 -7.909 -2.052 1.00 0.33 H new ATOM 0 HG SER A 9 -4.762 -9.165 0.369 1.00 0.71 H new ATOM 128 N LEU A 10 -5.281 -5.241 -1.925 1.00 0.15 N ATOM 129 CA LEU A 10 -4.821 -3.876 -1.715 1.00 0.20 C ATOM 130 C LEU A 10 -5.977 -2.944 -1.388 1.00 0.19 C ATOM 131 O LEU A 10 -5.765 -1.823 -0.936 1.00 0.27 O ATOM 132 CB LEU A 10 -4.108 -3.365 -2.963 1.00 0.24 C ATOM 133 CG LEU A 10 -2.905 -4.195 -3.405 1.00 0.27 C ATOM 134 CD1 LEU A 10 -2.387 -3.708 -4.745 1.00 0.47 C ATOM 135 CD2 LEU A 10 -1.804 -4.145 -2.358 1.00 0.50 C ATOM 0 H LEU A 10 -5.026 -5.636 -2.830 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.133 -3.888 -0.870 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -4.825 -3.327 -3.783 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -3.778 -2.342 -2.781 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.226 -5.231 -3.514 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -1.530 -4.311 -5.045 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -3.174 -3.799 -5.494 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -2.085 -2.664 -4.661 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -0.956 -4.743 -2.693 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -1.486 -3.113 -2.214 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.180 -4.544 -1.416 1.00 0.50 H new ATOM 147 N THR A 11 -7.200 -3.405 -1.606 1.00 0.14 N ATOM 148 CA THR A 11 -8.364 -2.568 -1.347 1.00 0.18 C ATOM 149 C THR A 11 -9.326 -3.239 -0.375 1.00 0.15 C ATOM 150 O THR A 11 -10.517 -2.927 -0.340 1.00 0.18 O ATOM 151 CB THR A 11 -9.093 -2.222 -2.657 1.00 0.25 C ATOM 152 OG1 THR A 11 -9.870 -3.343 -3.096 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.089 -1.834 -3.740 1.00 0.35 C ATOM 0 H THR A 11 -7.412 -4.339 -1.956 1.00 0.14 H new ATOM 0 HA THR A 11 -8.006 -1.645 -0.890 1.00 0.18 H new ATOM 0 HB THR A 11 -9.755 -1.376 -2.472 1.00 0.25 H new ATOM 0 HG1 THR A 11 -9.286 -3.990 -3.545 1.00 0.31 H new ATOM 0 HG21 THR A 11 -8.621 -1.592 -4.660 1.00 0.35 H new ATOM 0 HG22 THR A 11 -7.518 -0.965 -3.412 1.00 0.35 H new ATOM 0 HG23 THR A 11 -7.410 -2.667 -3.922 1.00 0.35 H new ATOM 161 N ASP A 12 -8.792 -4.164 0.412 1.00 0.11 N ATOM 162 CA ASP A 12 -9.572 -4.876 1.408 1.00 0.12 C ATOM 163 C ASP A 12 -9.126 -4.416 2.789 1.00 0.11 C ATOM 164 O ASP A 12 -7.977 -4.641 3.168 1.00 0.10 O ATOM 165 CB ASP A 12 -9.379 -6.386 1.267 1.00 0.14 C ATOM 166 CG ASP A 12 -10.443 -7.174 2.005 1.00 0.24 C ATOM 167 OD1 ASP A 12 -10.334 -7.304 3.242 1.00 0.51 O ATOM 168 OD2 ASP A 12 -11.384 -7.662 1.347 1.00 0.57 O ATOM 0 H ASP A 12 -7.810 -4.439 0.376 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.631 -4.660 1.265 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.398 -6.655 0.211 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.396 -6.661 1.649 1.00 0.14 H new ATOM 173 N PRO A 13 -10.012 -3.759 3.559 1.00 0.11 N ATOM 174 CA PRO A 13 -9.670 -3.250 4.886 1.00 0.11 C ATOM 175 C PRO A 13 -8.880 -4.239 5.737 1.00 0.12 C ATOM 176 O PRO A 13 -8.233 -3.845 6.701 1.00 0.13 O ATOM 177 CB PRO A 13 -11.031 -2.964 5.509 1.00 0.12 C ATOM 178 CG PRO A 13 -11.867 -2.565 4.350 1.00 0.12 C ATOM 179 CD PRO A 13 -11.414 -3.440 3.208 1.00 0.11 C ATOM 0 HA PRO A 13 -9.015 -2.381 4.823 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.435 -3.843 6.011 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.972 -2.170 6.254 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.926 -2.712 4.561 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.732 -1.510 4.113 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -12.023 -4.340 3.125 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.481 -2.921 2.252 1.00 0.11 H new ATOM 187 N LYS A 14 -8.942 -5.522 5.397 1.00 0.13 N ATOM 188 CA LYS A 14 -8.201 -6.526 6.150 1.00 0.15 C ATOM 189 C LYS A 14 -6.714 -6.186 6.116 1.00 0.13 C ATOM 190 O LYS A 14 -6.045 -6.145 7.150 1.00 0.16 O ATOM 191 CB LYS A 14 -8.440 -7.923 5.571 1.00 0.18 C ATOM 192 CG LYS A 14 -8.357 -9.041 6.604 1.00 0.34 C ATOM 193 CD LYS A 14 -6.982 -9.119 7.254 1.00 0.60 C ATOM 194 CE LYS A 14 -5.892 -9.379 6.227 1.00 0.54 C ATOM 195 NZ LYS A 14 -6.164 -10.603 5.424 1.00 1.37 N ATOM 0 H LYS A 14 -9.489 -5.887 4.617 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.550 -6.525 7.183 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.423 -7.948 5.101 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.707 -8.111 4.787 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -9.113 -8.880 7.373 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.586 -9.993 6.126 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -6.773 -8.187 7.779 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -6.976 -9.913 8.001 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -5.808 -8.520 5.562 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -4.933 -9.484 6.734 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -5.325 -10.840 4.857 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -6.386 -11.394 6.061 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -6.971 -10.431 4.791 1.00 1.37 H new ATOM 209 N LEU A 15 -6.212 -5.938 4.912 1.00 0.09 N ATOM 210 CA LEU A 15 -4.815 -5.582 4.709 1.00 0.08 C ATOM 211 C LEU A 15 -4.578 -4.120 5.046 1.00 0.08 C ATOM 212 O LEU A 15 -3.558 -3.754 5.621 1.00 0.09 O ATOM 213 CB LEU A 15 -4.419 -5.818 3.249 1.00 0.08 C ATOM 214 CG LEU A 15 -4.380 -7.276 2.793 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.472 -8.072 3.705 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.779 -7.875 2.763 1.00 0.12 C ATOM 0 H LEU A 15 -6.760 -5.978 4.053 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.211 -6.207 5.366 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.119 -5.277 2.612 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.434 -5.380 3.085 1.00 0.08 H new ATOM 0 HG LEU A 15 -3.983 -7.316 1.778 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.447 -9.111 3.377 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.465 -7.656 3.670 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.849 -8.023 4.727 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.723 -8.913 2.435 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.214 -7.833 3.761 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.402 -7.309 2.071 1.00 0.12 H new ATOM 228 N LEU A 16 -5.536 -3.294 4.671 1.00 0.10 N ATOM 229 CA LEU A 16 -5.454 -1.859 4.888 1.00 0.12 C ATOM 230 C LEU A 16 -5.370 -1.512 6.372 1.00 0.16 C ATOM 231 O LEU A 16 -4.727 -0.534 6.749 1.00 0.27 O ATOM 232 CB LEU A 16 -6.664 -1.201 4.235 1.00 0.10 C ATOM 233 CG LEU A 16 -6.973 -1.720 2.833 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.344 -1.254 2.370 1.00 0.10 C ATOM 235 CD2 LEU A 16 -5.892 -1.276 1.859 1.00 0.18 C ATOM 0 H LEU A 16 -6.393 -3.597 4.208 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.538 -1.481 4.434 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.536 -1.358 4.870 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.496 -0.125 4.184 1.00 0.10 H new ATOM 0 HG LEU A 16 -6.986 -2.809 2.864 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.540 -1.637 1.369 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -9.105 -1.626 3.056 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.371 -0.164 2.353 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.123 -1.652 0.862 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -5.849 -0.187 1.835 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -4.928 -1.670 2.181 1.00 0.18 H new ATOM 247 N LYS A 17 -6.038 -2.289 7.213 1.00 0.14 N ATOM 248 CA LYS A 17 -5.981 -2.059 8.647 1.00 0.17 C ATOM 249 C LYS A 17 -4.699 -2.666 9.196 1.00 0.18 C ATOM 250 O LYS A 17 -4.182 -2.243 10.231 1.00 0.22 O ATOM 251 CB LYS A 17 -7.201 -2.662 9.333 1.00 0.19 C ATOM 252 CG LYS A 17 -8.498 -1.999 8.918 1.00 0.20 C ATOM 253 CD LYS A 17 -9.692 -2.742 9.476 1.00 0.24 C ATOM 254 CE LYS A 17 -10.995 -2.101 9.041 1.00 0.31 C ATOM 255 NZ LYS A 17 -11.493 -1.118 10.042 1.00 0.88 N ATOM 0 H LYS A 17 -6.620 -3.077 6.929 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.985 -0.987 8.844 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -7.253 -3.726 9.102 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -7.084 -2.576 10.413 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -8.511 -0.967 9.269 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.562 -1.966 7.830 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.666 -3.779 9.142 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.637 -2.756 10.565 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.852 -1.602 8.083 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -11.747 -2.875 8.888 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -12.476 -1.346 10.293 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -10.899 -1.160 10.895 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -11.452 -0.160 9.638 1.00 0.88 H new ATOM 269 N ASN A 18 -4.196 -3.667 8.479 1.00 0.14 N ATOM 270 CA ASN A 18 -2.959 -4.343 8.839 1.00 0.15 C ATOM 271 C ASN A 18 -1.945 -4.134 7.726 1.00 0.13 C ATOM 272 O ASN A 18 -1.604 -5.067 7.002 1.00 0.11 O ATOM 273 CB ASN A 18 -3.199 -5.842 9.045 1.00 0.16 C ATOM 274 CG ASN A 18 -2.462 -6.386 10.253 1.00 0.24 C ATOM 275 OD1 ASN A 18 -2.238 -5.673 11.231 1.00 0.50 O ATOM 276 ND2 ASN A 18 -2.080 -7.657 10.190 1.00 0.53 N ATOM 0 H ASN A 18 -4.636 -4.030 7.633 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.583 -3.927 9.774 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -4.267 -6.023 9.163 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -2.880 -6.384 8.154 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.580 -8.079 10.973 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.287 -8.211 9.359 1.00 0.53 H new ATOM 283 N ILE A 19 -1.485 -2.894 7.584 1.00 0.13 N ATOM 284 CA ILE A 19 -0.526 -2.544 6.541 1.00 0.12 C ATOM 285 C ILE A 19 0.564 -3.600 6.380 1.00 0.10 C ATOM 286 O ILE A 19 0.859 -4.002 5.257 1.00 0.09 O ATOM 287 CB ILE A 19 0.118 -1.169 6.790 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.923 -0.037 6.706 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.249 -0.938 5.800 1.00 0.19 C ATOM 290 CD1 ILE A 19 -2.087 -0.298 5.771 1.00 0.49 C ATOM 0 H ILE A 19 -1.762 -2.113 8.180 1.00 0.13 H new ATOM 0 HA ILE A 19 -1.098 -2.498 5.614 1.00 0.12 H new ATOM 0 HB ILE A 19 0.527 -1.161 7.800 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.316 0.149 7.706 1.00 0.20 H new ATOM 0 HG13 ILE A 19 -0.419 0.875 6.387 1.00 0.20 H new ATOM 0 HG21 ILE A 19 1.699 0.038 5.983 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.004 -1.715 5.922 1.00 0.19 H new ATOM 0 HG23 ILE A 19 0.856 -0.971 4.784 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -2.762 0.557 5.783 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -1.713 -0.451 4.759 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -2.624 -1.189 6.098 1.00 0.49 H new ATOM 302 N PRO A 20 1.204 -4.052 7.475 1.00 0.12 N ATOM 303 CA PRO A 20 2.234 -5.082 7.380 1.00 0.12 C ATOM 304 C PRO A 20 1.770 -6.229 6.498 1.00 0.11 C ATOM 305 O PRO A 20 2.516 -6.745 5.665 1.00 0.14 O ATOM 306 CB PRO A 20 2.368 -5.558 8.821 1.00 0.14 C ATOM 307 CG PRO A 20 2.063 -4.350 9.633 1.00 0.15 C ATOM 308 CD PRO A 20 1.009 -3.595 8.868 1.00 0.14 C ATOM 0 HA PRO A 20 3.165 -4.717 6.946 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.674 -6.370 9.039 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.371 -5.933 9.025 1.00 0.14 H new ATOM 0 HG2 PRO A 20 1.704 -4.626 10.624 1.00 0.15 H new ATOM 0 HG3 PRO A 20 2.955 -3.740 9.776 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.007 -3.826 9.230 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.141 -2.517 8.959 1.00 0.14 H new ATOM 316 N MET A 21 0.516 -6.612 6.703 1.00 0.10 N ATOM 317 CA MET A 21 -0.113 -7.678 5.943 1.00 0.10 C ATOM 318 C MET A 21 -0.379 -7.200 4.518 1.00 0.08 C ATOM 319 O MET A 21 -0.231 -7.954 3.558 1.00 0.10 O ATOM 320 CB MET A 21 -1.408 -8.084 6.642 1.00 0.13 C ATOM 321 CG MET A 21 -1.864 -9.503 6.345 1.00 0.25 C ATOM 322 SD MET A 21 -0.542 -10.724 6.502 1.00 0.94 S ATOM 323 CE MET A 21 0.143 -10.300 8.102 1.00 0.54 C ATOM 0 H MET A 21 -0.093 -6.189 7.404 1.00 0.10 H new ATOM 0 HA MET A 21 0.543 -8.547 5.890 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.275 -7.976 7.718 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.198 -7.393 6.348 1.00 0.13 H new ATOM 0 HG2 MET A 21 -2.675 -9.766 7.024 1.00 0.25 H new ATOM 0 HG3 MET A 21 -2.269 -9.543 5.334 1.00 0.25 H new ATOM 0 HE1 MET A 21 0.629 -11.175 8.533 1.00 0.54 H new ATOM 0 HE2 MET A 21 0.874 -9.500 7.984 1.00 0.54 H new ATOM 0 HE3 MET A 21 -0.657 -9.966 8.763 1.00 0.54 H new ATOM 333 N TRP A 22 -0.799 -5.944 4.397 1.00 0.06 N ATOM 334 CA TRP A 22 -1.037 -5.330 3.100 1.00 0.06 C ATOM 335 C TRP A 22 0.201 -5.485 2.227 1.00 0.06 C ATOM 336 O TRP A 22 0.108 -5.719 1.022 1.00 0.08 O ATOM 337 CB TRP A 22 -1.374 -3.851 3.300 1.00 0.07 C ATOM 338 CG TRP A 22 -1.753 -3.129 2.047 1.00 0.08 C ATOM 339 CD1 TRP A 22 -2.966 -3.149 1.420 1.00 0.09 C ATOM 340 CD2 TRP A 22 -0.913 -2.265 1.274 1.00 0.08 C ATOM 341 NE1 TRP A 22 -2.931 -2.352 0.304 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.681 -1.802 0.190 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.416 -1.840 1.393 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.168 -0.936 -0.771 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.924 -0.981 0.435 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.133 -0.538 -0.635 1.00 0.11 C ATOM 0 H TRP A 22 -0.982 -5.329 5.190 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.874 -5.820 2.603 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.194 -3.771 4.013 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.514 -3.352 3.746 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.826 -3.710 1.754 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.709 -2.194 -0.337 1.00 0.10 H new ATOM 0 HE3 TRP A 22 1.031 -2.176 2.215 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.776 -0.591 -1.594 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 1.948 -0.646 0.512 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.560 0.131 -1.367 1.00 0.11 H new ATOM 357 N LEU A 23 1.361 -5.350 2.860 1.00 0.06 N ATOM 358 CA LEU A 23 2.635 -5.492 2.183 1.00 0.08 C ATOM 359 C LEU A 23 2.925 -6.961 1.899 1.00 0.10 C ATOM 360 O LEU A 23 3.661 -7.286 0.971 1.00 0.13 O ATOM 361 CB LEU A 23 3.741 -4.906 3.054 1.00 0.09 C ATOM 362 CG LEU A 23 3.730 -3.384 3.182 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.693 -2.933 4.268 1.00 0.10 C ATOM 364 CD2 LEU A 23 4.083 -2.739 1.852 1.00 0.10 C ATOM 0 H LEU A 23 1.440 -5.139 3.855 1.00 0.06 H new ATOM 0 HA LEU A 23 2.594 -4.956 1.235 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.664 -5.339 4.051 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.704 -5.213 2.646 1.00 0.09 H new ATOM 0 HG LEU A 23 2.726 -3.067 3.463 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.672 -1.846 4.345 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.397 -3.370 5.222 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.702 -3.259 4.018 1.00 0.10 H new ATOM 0 HD21 LEU A 23 4.071 -1.654 1.959 1.00 0.10 H new ATOM 0 HD22 LEU A 23 5.077 -3.062 1.543 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.354 -3.037 1.098 1.00 0.10 H new ATOM 376 N LYS A 24 2.357 -7.843 2.720 1.00 0.10 N ATOM 377 CA LYS A 24 2.541 -9.273 2.553 1.00 0.13 C ATOM 378 C LYS A 24 2.124 -9.700 1.148 1.00 0.13 C ATOM 379 O LYS A 24 2.811 -10.485 0.495 1.00 0.16 O ATOM 380 CB LYS A 24 1.725 -10.037 3.600 1.00 0.17 C ATOM 381 CG LYS A 24 2.510 -11.095 4.346 1.00 0.51 C ATOM 382 CD LYS A 24 2.760 -12.315 3.484 1.00 1.24 C ATOM 383 CE LYS A 24 4.059 -12.189 2.706 1.00 2.30 C ATOM 384 NZ LYS A 24 4.215 -13.280 1.705 1.00 3.29 N ATOM 0 H LYS A 24 1.764 -7.585 3.509 1.00 0.10 H new ATOM 0 HA LYS A 24 3.597 -9.507 2.691 1.00 0.13 H new ATOM 0 HB2 LYS A 24 1.321 -9.325 4.320 1.00 0.17 H new ATOM 0 HB3 LYS A 24 0.875 -10.510 3.108 1.00 0.17 H new ATOM 0 HG2 LYS A 24 3.463 -10.679 4.673 1.00 0.51 H new ATOM 0 HG3 LYS A 24 1.965 -11.388 5.243 1.00 0.51 H new ATOM 0 HD2 LYS A 24 2.796 -13.205 4.112 1.00 1.24 H new ATOM 0 HD3 LYS A 24 1.930 -12.448 2.790 1.00 1.24 H new ATOM 0 HE2 LYS A 24 4.086 -11.225 2.199 1.00 2.30 H new ATOM 0 HE3 LYS A 24 4.900 -12.209 3.399 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 5.113 -13.158 1.196 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 4.215 -14.200 2.191 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 3.426 -13.246 1.028 1.00 3.29 H new ATOM 398 N SER A 25 0.991 -9.170 0.690 1.00 0.13 N ATOM 399 CA SER A 25 0.484 -9.480 -0.643 1.00 0.15 C ATOM 400 C SER A 25 1.358 -8.823 -1.707 1.00 0.14 C ATOM 401 O SER A 25 1.210 -9.082 -2.901 1.00 0.20 O ATOM 402 CB SER A 25 -0.969 -9.013 -0.785 1.00 0.20 C ATOM 403 OG SER A 25 -1.823 -9.741 0.081 1.00 0.96 O ATOM 0 H SER A 25 0.408 -8.525 1.223 1.00 0.13 H new ATOM 0 HA SER A 25 0.516 -10.560 -0.784 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.037 -7.949 -0.558 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.297 -9.141 -1.817 1.00 0.20 H new ATOM 0 HG SER A 25 -2.712 -9.329 0.086 1.00 0.96 H new ATOM 409 N LEU A 26 2.273 -7.971 -1.252 1.00 0.12 N ATOM 410 CA LEU A 26 3.194 -7.270 -2.140 1.00 0.13 C ATOM 411 C LEU A 26 4.623 -7.736 -1.886 1.00 0.16 C ATOM 412 O LEU A 26 5.566 -7.262 -2.521 1.00 0.28 O ATOM 413 CB LEU A 26 3.101 -5.757 -1.914 1.00 0.14 C ATOM 414 CG LEU A 26 1.691 -5.171 -1.980 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.698 -3.705 -1.566 1.00 0.38 C ATOM 416 CD2 LEU A 26 1.114 -5.330 -3.378 1.00 0.66 C ATOM 0 H LEU A 26 2.396 -7.749 -0.264 1.00 0.12 H new ATOM 0 HA LEU A 26 2.920 -7.495 -3.171 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.527 -5.525 -0.938 1.00 0.14 H new ATOM 0 HB3 LEU A 26 3.720 -5.257 -2.659 1.00 0.14 H new ATOM 0 HG LEU A 26 1.058 -5.719 -1.282 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.685 -3.307 -1.620 1.00 0.38 H new ATOM 0 HD12 LEU A 26 2.069 -3.617 -0.545 1.00 0.38 H new ATOM 0 HD13 LEU A 26 2.346 -3.141 -2.237 1.00 0.38 H new ATOM 0 HD21 LEU A 26 0.110 -4.907 -3.407 1.00 0.66 H new ATOM 0 HD22 LEU A 26 1.748 -4.808 -4.095 1.00 0.66 H new ATOM 0 HD23 LEU A 26 1.070 -6.388 -3.635 1.00 0.66 H new ATOM 428 N ARG A 27 4.767 -8.667 -0.944 1.00 0.15 N ATOM 429 CA ARG A 27 6.071 -9.208 -0.573 1.00 0.21 C ATOM 430 C ARG A 27 6.969 -8.121 0.004 1.00 0.21 C ATOM 431 O ARG A 27 8.175 -8.316 0.155 1.00 0.35 O ATOM 432 CB ARG A 27 6.751 -9.863 -1.774 1.00 0.31 C ATOM 433 CG ARG A 27 6.600 -11.375 -1.805 1.00 1.11 C ATOM 434 CD ARG A 27 7.417 -12.036 -0.706 1.00 2.02 C ATOM 435 NE ARG A 27 7.377 -13.493 -0.794 1.00 2.71 N ATOM 436 CZ ARG A 27 8.146 -14.299 -0.066 1.00 3.55 C ATOM 437 NH1 ARG A 27 9.010 -13.792 0.804 1.00 3.89 N ATOM 438 NH2 ARG A 27 8.051 -15.614 -0.209 1.00 4.34 N ATOM 0 H ARG A 27 3.987 -9.065 -0.420 1.00 0.15 H new ATOM 0 HA ARG A 27 5.908 -9.966 0.193 1.00 0.21 H new ATOM 0 HB2 ARG A 27 6.334 -9.445 -2.690 1.00 0.31 H new ATOM 0 HB3 ARG A 27 7.812 -9.612 -1.763 1.00 0.31 H new ATOM 0 HG2 ARG A 27 5.549 -11.640 -1.689 1.00 1.11 H new ATOM 0 HG3 ARG A 27 6.919 -11.754 -2.776 1.00 1.11 H new ATOM 0 HD2 ARG A 27 8.451 -11.697 -0.770 1.00 2.02 H new ATOM 0 HD3 ARG A 27 7.038 -11.721 0.266 1.00 2.02 H new ATOM 0 HE ARG A 27 6.722 -13.917 -1.451 1.00 2.71 H new ATOM 0 HH11 ARG A 27 9.087 -12.781 0.917 1.00 3.89 H new ATOM 0 HH12 ARG A 27 9.598 -14.413 1.360 1.00 3.89 H new ATOM 0 HH21 ARG A 27 7.388 -16.008 -0.877 1.00 4.34 H new ATOM 0 HH22 ARG A 27 8.641 -16.232 0.349 1.00 4.34 H new ATOM 452 N LEU A 28 6.375 -6.979 0.325 1.00 0.14 N ATOM 453 CA LEU A 28 7.123 -5.868 0.891 1.00 0.14 C ATOM 454 C LEU A 28 6.934 -5.804 2.394 1.00 0.13 C ATOM 455 O LEU A 28 7.151 -4.761 3.008 1.00 0.13 O ATOM 456 CB LEU A 28 6.701 -4.547 0.245 1.00 0.16 C ATOM 457 CG LEU A 28 6.914 -4.487 -1.267 1.00 0.21 C ATOM 458 CD1 LEU A 28 5.916 -3.542 -1.912 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.338 -4.064 -1.590 1.00 0.67 C ATOM 0 H LEU A 28 5.378 -6.799 0.203 1.00 0.14 H new ATOM 0 HA LEU A 28 8.180 -6.032 0.683 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.646 -4.373 0.458 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.259 -3.734 0.711 1.00 0.16 H new ATOM 0 HG LEU A 28 6.752 -5.485 -1.675 1.00 0.21 H new ATOM 0 HD11 LEU A 28 6.085 -3.514 -2.988 1.00 0.67 H new ATOM 0 HD12 LEU A 28 4.903 -3.891 -1.713 1.00 0.67 H new ATOM 0 HD13 LEU A 28 6.043 -2.541 -1.499 1.00 0.67 H new ATOM 0 HD21 LEU A 28 8.470 -4.027 -2.671 1.00 0.67 H new ATOM 0 HD22 LEU A 28 8.529 -3.078 -1.167 1.00 0.67 H new ATOM 0 HD23 LEU A 28 9.037 -4.783 -1.163 1.00 0.67 H new ATOM 471 N HIS A 29 6.501 -6.917 2.989 1.00 0.13 N ATOM 472 CA HIS A 29 6.362 -6.972 4.435 1.00 0.13 C ATOM 473 C HIS A 29 7.750 -6.770 5.014 1.00 0.12 C ATOM 474 O HIS A 29 7.942 -6.578 6.212 1.00 0.13 O ATOM 475 CB HIS A 29 5.773 -8.305 4.895 1.00 0.14 C ATOM 476 CG HIS A 29 6.537 -9.498 4.411 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.667 -9.817 3.076 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.218 -10.451 5.092 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.392 -10.916 2.957 1.00 0.20 C ATOM 480 NE2 HIS A 29 7.738 -11.319 4.165 1.00 0.24 N ATOM 0 H HIS A 29 6.246 -7.774 2.499 1.00 0.13 H new ATOM 0 HA HIS A 29 5.674 -6.200 4.779 1.00 0.13 H new ATOM 0 HB2 HIS A 29 5.742 -8.322 5.984 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.743 -8.377 4.545 1.00 0.14 H new ATOM 0 HD2 HIS A 29 7.331 -10.515 6.164 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.656 -11.401 2.029 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.301 -12.143 4.376 1.00 0.24 H new ATOM 489 N LYS A 30 8.716 -6.851 4.106 1.00 0.12 N ATOM 490 CA LYS A 30 10.114 -6.638 4.417 1.00 0.12 C ATOM 491 C LYS A 30 10.277 -5.215 4.920 1.00 0.11 C ATOM 492 O LYS A 30 11.100 -4.924 5.789 1.00 0.17 O ATOM 493 CB LYS A 30 10.971 -6.866 3.161 1.00 0.15 C ATOM 494 CG LYS A 30 10.298 -6.520 1.846 1.00 0.28 C ATOM 495 CD LYS A 30 11.127 -6.999 0.672 1.00 0.59 C ATOM 496 CE LYS A 30 11.260 -5.911 -0.363 1.00 0.65 C ATOM 497 NZ LYS A 30 12.361 -6.184 -1.328 1.00 0.72 N ATOM 0 H LYS A 30 8.543 -7.069 3.125 1.00 0.12 H new ATOM 0 HA LYS A 30 10.443 -7.340 5.183 1.00 0.12 H new ATOM 0 HB2 LYS A 30 11.882 -6.275 3.251 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.272 -7.913 3.132 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.309 -6.976 1.808 1.00 0.28 H new ATOM 0 HG3 LYS A 30 10.154 -5.442 1.779 1.00 0.28 H new ATOM 0 HD2 LYS A 30 12.115 -7.302 1.018 1.00 0.59 H new ATOM 0 HD3 LYS A 30 10.662 -7.878 0.226 1.00 0.59 H new ATOM 0 HE2 LYS A 30 10.320 -5.811 -0.906 1.00 0.65 H new ATOM 0 HE3 LYS A 30 11.443 -4.959 0.135 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 12.415 -5.410 -2.021 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 13.263 -6.253 -0.815 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 12.175 -7.079 -1.823 1.00 0.72 H new ATOM 511 N TYR A 31 9.464 -4.344 4.345 1.00 0.10 N ATOM 512 CA TYR A 31 9.434 -2.937 4.699 1.00 0.10 C ATOM 513 C TYR A 31 8.214 -2.647 5.555 1.00 0.11 C ATOM 514 O TYR A 31 7.738 -1.513 5.617 1.00 0.16 O ATOM 515 CB TYR A 31 9.406 -2.087 3.434 1.00 0.12 C ATOM 516 CG TYR A 31 10.674 -2.190 2.621 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.922 -2.090 3.228 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.625 -2.399 1.251 1.00 0.16 C ATOM 519 CE1 TYR A 31 13.083 -2.193 2.490 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.785 -2.506 0.506 1.00 0.20 C ATOM 521 CZ TYR A 31 13.010 -2.401 1.130 1.00 0.23 C ATOM 522 OH TYR A 31 14.166 -2.506 0.390 1.00 0.28 O ATOM 0 H TYR A 31 8.801 -4.598 3.613 1.00 0.10 H new ATOM 0 HA TYR A 31 10.330 -2.690 5.269 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.561 -2.392 2.817 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.241 -1.045 3.708 1.00 0.12 H new ATOM 0 HD1 TYR A 31 11.983 -1.929 4.294 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.667 -2.479 0.759 1.00 0.16 H new ATOM 0 HE1 TYR A 31 14.044 -2.111 2.976 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.732 -2.671 -0.560 1.00 0.20 H new ATOM 0 HH TYR A 31 14.010 -3.093 -0.379 1.00 0.28 H new ATOM 532 N SER A 32 7.710 -3.686 6.212 1.00 0.10 N ATOM 533 CA SER A 32 6.543 -3.553 7.065 1.00 0.12 C ATOM 534 C SER A 32 6.830 -2.608 8.212 1.00 0.13 C ATOM 535 O SER A 32 6.074 -1.683 8.458 1.00 0.16 O ATOM 536 CB SER A 32 6.117 -4.913 7.616 1.00 0.13 C ATOM 537 OG SER A 32 5.195 -4.763 8.679 1.00 1.30 O ATOM 0 H SER A 32 8.095 -4.630 6.168 1.00 0.10 H new ATOM 0 HA SER A 32 5.731 -3.147 6.462 1.00 0.12 H new ATOM 0 HB2 SER A 32 5.667 -5.507 6.821 1.00 0.13 H new ATOM 0 HB3 SER A 32 6.994 -5.459 7.964 1.00 0.13 H new ATOM 0 HG SER A 32 5.488 -5.300 9.444 1.00 1.30 H new ATOM 543 N ASP A 33 7.929 -2.845 8.907 1.00 0.12 N ATOM 544 CA ASP A 33 8.313 -2.014 10.025 1.00 0.14 C ATOM 545 C ASP A 33 8.383 -0.544 9.618 1.00 0.14 C ATOM 546 O ASP A 33 8.004 0.342 10.383 1.00 0.20 O ATOM 547 CB ASP A 33 9.664 -2.483 10.552 1.00 0.17 C ATOM 548 CG ASP A 33 9.605 -3.883 11.132 1.00 1.10 C ATOM 549 OD1 ASP A 33 9.710 -4.853 10.351 1.00 2.21 O ATOM 550 OD2 ASP A 33 9.455 -4.009 12.365 1.00 1.00 O ATOM 0 H ASP A 33 8.572 -3.612 8.712 1.00 0.12 H new ATOM 0 HA ASP A 33 7.561 -2.104 10.809 1.00 0.14 H new ATOM 0 HB2 ASP A 33 10.395 -2.458 9.743 1.00 0.17 H new ATOM 0 HB3 ASP A 33 10.013 -1.790 11.318 1.00 0.17 H new ATOM 555 N ALA A 34 8.874 -0.298 8.408 1.00 0.12 N ATOM 556 CA ALA A 34 9.008 1.060 7.886 1.00 0.13 C ATOM 557 C ALA A 34 7.686 1.614 7.360 1.00 0.12 C ATOM 558 O ALA A 34 7.467 2.825 7.368 1.00 0.15 O ATOM 559 CB ALA A 34 10.059 1.091 6.788 1.00 0.15 C ATOM 0 H ALA A 34 9.188 -1.026 7.766 1.00 0.12 H new ATOM 0 HA ALA A 34 9.319 1.697 8.714 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.154 2.107 6.403 1.00 0.15 H new ATOM 0 HB2 ALA A 34 11.017 0.765 7.192 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.761 0.423 5.980 1.00 0.15 H new ATOM 565 N LEU A 35 6.805 0.728 6.914 1.00 0.10 N ATOM 566 CA LEU A 35 5.523 1.143 6.354 1.00 0.09 C ATOM 567 C LEU A 35 4.353 0.868 7.300 1.00 0.09 C ATOM 568 O LEU A 35 3.212 1.204 6.989 1.00 0.12 O ATOM 569 CB LEU A 35 5.289 0.413 5.031 1.00 0.09 C ATOM 570 CG LEU A 35 5.878 1.061 3.765 1.00 0.19 C ATOM 571 CD1 LEU A 35 6.946 2.112 4.082 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.437 -0.017 2.839 1.00 0.14 C ATOM 0 H LEU A 35 6.953 -0.281 6.928 1.00 0.10 H new ATOM 0 HA LEU A 35 5.568 2.221 6.197 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.701 -0.592 5.121 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.214 0.305 4.888 1.00 0.09 H new ATOM 0 HG LEU A 35 5.067 1.586 3.261 1.00 0.19 H new ATOM 0 HD11 LEU A 35 7.326 2.536 3.153 1.00 0.47 H new ATOM 0 HD12 LEU A 35 6.508 2.904 4.690 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.765 1.645 4.630 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.852 0.450 1.946 1.00 0.14 H new ATOM 0 HD22 LEU A 35 7.221 -0.570 3.356 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.638 -0.701 2.553 1.00 0.14 H new ATOM 584 N SER A 36 4.633 0.270 8.451 1.00 0.10 N ATOM 585 CA SER A 36 3.584 -0.053 9.408 1.00 0.10 C ATOM 586 C SER A 36 3.121 1.196 10.141 1.00 0.10 C ATOM 587 O SER A 36 1.922 1.430 10.295 1.00 0.11 O ATOM 588 CB SER A 36 4.069 -1.095 10.420 1.00 0.13 C ATOM 589 OG SER A 36 5.136 -0.588 11.202 1.00 0.95 O ATOM 0 H SER A 36 5.572 0.000 8.743 1.00 0.10 H new ATOM 0 HA SER A 36 2.744 -0.469 8.851 1.00 0.10 H new ATOM 0 HB2 SER A 36 3.244 -1.387 11.070 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.394 -1.993 9.895 1.00 0.13 H new ATOM 0 HG SER A 36 5.913 -0.424 10.628 1.00 0.95 H new ATOM 595 N GLY A 37 4.083 1.995 10.596 1.00 0.12 N ATOM 596 CA GLY A 37 3.757 3.220 11.299 1.00 0.13 C ATOM 597 C GLY A 37 2.882 4.132 10.465 1.00 0.12 C ATOM 598 O GLY A 37 2.335 5.113 10.968 1.00 0.15 O ATOM 0 H GLY A 37 5.081 1.814 10.490 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.246 2.979 12.231 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.676 3.742 11.565 1.00 0.13 H new ATOM 602 N THR A 38 2.751 3.802 9.183 1.00 0.08 N ATOM 603 CA THR A 38 1.936 4.583 8.272 1.00 0.08 C ATOM 604 C THR A 38 0.724 3.775 7.803 1.00 0.07 C ATOM 605 O THR A 38 0.874 2.655 7.312 1.00 0.08 O ATOM 606 CB THR A 38 2.751 5.032 7.044 1.00 0.09 C ATOM 607 OG1 THR A 38 3.977 5.635 7.470 1.00 0.11 O ATOM 608 CG2 THR A 38 1.957 6.024 6.212 1.00 0.11 C ATOM 0 H THR A 38 3.203 2.994 8.755 1.00 0.08 H new ATOM 0 HA THR A 38 1.596 5.466 8.814 1.00 0.08 H new ATOM 0 HB THR A 38 2.969 4.156 6.433 1.00 0.09 H new ATOM 0 HG1 THR A 38 3.811 6.193 8.258 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.548 6.330 5.349 1.00 0.11 H new ATOM 0 HG22 THR A 38 1.033 5.556 5.872 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.719 6.899 6.818 1.00 0.11 H new ATOM 616 N PRO A 39 -0.497 4.325 7.951 1.00 0.07 N ATOM 617 CA PRO A 39 -1.730 3.644 7.531 1.00 0.08 C ATOM 618 C PRO A 39 -1.809 3.526 6.020 1.00 0.07 C ATOM 619 O PRO A 39 -0.940 4.039 5.322 1.00 0.07 O ATOM 620 CB PRO A 39 -2.833 4.570 8.041 1.00 0.09 C ATOM 621 CG PRO A 39 -2.187 5.905 8.060 1.00 0.09 C ATOM 622 CD PRO A 39 -0.782 5.656 8.517 1.00 0.09 C ATOM 0 HA PRO A 39 -1.797 2.627 7.917 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.704 4.555 7.385 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.176 4.276 9.033 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.204 6.365 7.072 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.706 6.584 8.736 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.093 6.413 8.143 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.701 5.661 9.604 1.00 0.09 H new ATOM 630 N TRP A 40 -2.837 2.853 5.507 1.00 0.07 N ATOM 631 CA TRP A 40 -2.979 2.726 4.062 1.00 0.07 C ATOM 632 C TRP A 40 -3.331 4.073 3.459 1.00 0.07 C ATOM 633 O TRP A 40 -2.715 4.500 2.492 1.00 0.07 O ATOM 634 CB TRP A 40 -4.036 1.688 3.672 1.00 0.08 C ATOM 635 CG TRP A 40 -5.444 2.073 4.020 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.058 1.947 5.235 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.418 2.647 3.136 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.357 2.389 5.153 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.596 2.834 3.881 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.411 3.023 1.786 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.752 3.376 3.326 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.559 3.563 1.237 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.714 3.736 2.007 1.00 0.21 C ATOM 0 H TRP A 40 -3.566 2.398 6.056 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.023 2.381 3.668 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -3.976 1.512 2.598 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.799 0.744 4.163 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.591 1.558 6.128 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -8.033 2.386 5.917 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.523 2.893 1.185 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.647 3.508 3.916 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.564 3.856 0.197 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.595 4.163 1.550 1.00 0.21 H new ATOM 654 N ILE A 41 -4.310 4.747 4.056 1.00 0.08 N ATOM 655 CA ILE A 41 -4.753 6.046 3.572 1.00 0.09 C ATOM 656 C ILE A 41 -3.567 6.981 3.351 1.00 0.07 C ATOM 657 O ILE A 41 -3.627 7.891 2.523 1.00 0.08 O ATOM 658 CB ILE A 41 -5.746 6.700 4.554 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.616 7.724 3.827 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.010 7.351 5.718 1.00 0.12 C ATOM 661 CD1 ILE A 41 -8.070 7.316 3.738 1.00 0.45 C ATOM 0 H ILE A 41 -4.812 4.412 4.878 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.258 5.880 2.620 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.392 5.920 4.958 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -6.545 8.682 4.342 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -6.225 7.874 2.821 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.732 7.805 6.397 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.435 6.595 6.253 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.336 8.119 5.338 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.632 8.086 3.210 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -8.151 6.373 3.197 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.476 7.194 4.742 1.00 0.45 H new ATOM 673 N GLU A 42 -2.490 6.749 4.097 1.00 0.07 N ATOM 674 CA GLU A 42 -1.287 7.559 3.973 1.00 0.06 C ATOM 675 C GLU A 42 -0.281 6.848 3.079 1.00 0.06 C ATOM 676 O GLU A 42 0.434 7.476 2.299 1.00 0.07 O ATOM 677 CB GLU A 42 -0.677 7.835 5.347 1.00 0.07 C ATOM 678 CG GLU A 42 -1.500 8.788 6.199 1.00 0.09 C ATOM 679 CD GLU A 42 -1.671 10.149 5.552 1.00 1.13 C ATOM 680 OE1 GLU A 42 -0.807 11.024 5.772 1.00 1.02 O ATOM 681 OE2 GLU A 42 -2.668 10.339 4.824 1.00 2.15 O ATOM 0 H GLU A 42 -2.428 6.006 4.793 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.552 8.516 3.523 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.562 6.891 5.880 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.322 8.250 5.215 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -2.482 8.351 6.382 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -1.019 8.909 7.170 1.00 0.09 H new ATOM 688 N LEU A 43 -0.243 5.526 3.209 1.00 0.06 N ATOM 689 CA LEU A 43 0.639 4.690 2.406 1.00 0.07 C ATOM 690 C LEU A 43 0.373 4.957 0.936 1.00 0.08 C ATOM 691 O LEU A 43 1.255 5.365 0.183 1.00 0.10 O ATOM 692 CB LEU A 43 0.366 3.219 2.711 1.00 0.08 C ATOM 693 CG LEU A 43 1.561 2.401 3.208 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.675 2.403 2.183 1.00 0.11 C ATOM 695 CD2 LEU A 43 2.067 2.937 4.534 1.00 0.09 C ATOM 0 H LEU A 43 -0.820 5.007 3.871 1.00 0.06 H new ATOM 0 HA LEU A 43 1.678 4.921 2.642 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.423 3.165 3.461 1.00 0.08 H new ATOM 0 HB3 LEU A 43 -0.021 2.747 1.808 1.00 0.08 H new ATOM 0 HG LEU A 43 1.227 1.374 3.356 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.514 1.816 2.556 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.313 1.967 1.252 1.00 0.11 H new ATOM 0 HD13 LEU A 43 3.001 3.427 2.002 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.916 2.340 4.868 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.378 3.975 4.412 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.271 2.882 5.276 1.00 0.09 H new ATOM 707 N ILE A 44 -0.871 4.711 0.552 1.00 0.09 N ATOM 708 CA ILE A 44 -1.337 4.924 -0.805 1.00 0.10 C ATOM 709 C ILE A 44 -1.109 6.365 -1.247 1.00 0.10 C ATOM 710 O ILE A 44 -1.197 6.684 -2.432 1.00 0.15 O ATOM 711 CB ILE A 44 -2.837 4.594 -0.903 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.662 5.592 -0.080 1.00 0.14 C ATOM 713 CG2 ILE A 44 -3.080 3.177 -0.409 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.142 5.585 -0.396 1.00 0.20 C ATOM 0 H ILE A 44 -1.590 4.355 1.182 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.769 4.265 -1.461 1.00 0.10 H new ATOM 0 HB ILE A 44 -3.149 4.670 -1.945 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.527 5.371 0.979 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.271 6.595 -0.249 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -4.143 2.945 -0.479 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.514 2.476 -1.022 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.758 3.093 0.629 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.651 6.319 0.229 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.291 5.837 -1.446 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.551 4.594 -0.199 1.00 0.20 H new ATOM 726 N TYR A 45 -0.818 7.234 -0.285 1.00 0.08 N ATOM 727 CA TYR A 45 -0.588 8.644 -0.577 1.00 0.08 C ATOM 728 C TYR A 45 0.904 8.973 -0.615 1.00 0.08 C ATOM 729 O TYR A 45 1.295 10.033 -1.107 1.00 0.10 O ATOM 730 CB TYR A 45 -1.298 9.522 0.458 1.00 0.10 C ATOM 731 CG TYR A 45 -2.760 9.804 0.149 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.494 8.995 -0.716 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.406 10.887 0.735 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.826 9.258 -0.984 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.736 11.156 0.470 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.440 10.339 -0.389 1.00 0.16 C ATOM 737 OH TYR A 45 -6.764 10.605 -0.652 1.00 0.19 O ATOM 0 H TYR A 45 -0.736 6.988 0.701 1.00 0.08 H new ATOM 0 HA TYR A 45 -1.000 8.851 -1.565 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.232 9.038 1.432 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.767 10.471 0.537 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -3.015 8.148 -1.185 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -2.859 11.529 1.409 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.381 8.620 -1.656 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.221 12.002 0.934 1.00 0.18 H new ATOM 0 HH TYR A 45 -7.043 11.400 -0.152 1.00 0.19 H new ATOM 747 N LEU A 46 1.736 8.069 -0.098 1.00 0.08 N ATOM 748 CA LEU A 46 3.181 8.283 -0.095 1.00 0.09 C ATOM 749 C LEU A 46 3.718 8.362 -1.515 1.00 0.09 C ATOM 750 O LEU A 46 2.965 8.491 -2.481 1.00 0.11 O ATOM 751 CB LEU A 46 3.916 7.143 0.620 1.00 0.10 C ATOM 752 CG LEU A 46 3.462 6.817 2.044 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.406 5.800 2.668 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.398 8.071 2.900 1.00 0.12 C ATOM 0 H LEU A 46 1.436 7.189 0.321 1.00 0.08 H new ATOM 0 HA LEU A 46 3.356 9.221 0.431 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.814 6.241 0.016 1.00 0.10 H new ATOM 0 HB3 LEU A 46 4.978 7.389 0.650 1.00 0.10 H new ATOM 0 HG LEU A 46 2.459 6.393 1.995 1.00 0.11 H new ATOM 0 HD11 LEU A 46 4.077 5.572 3.682 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.403 4.887 2.072 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.415 6.211 2.698 1.00 0.14 H new ATOM 0 HD21 LEU A 46 3.072 7.808 3.907 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.385 8.531 2.946 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.690 8.775 2.462 1.00 0.12 H new ATOM 766 N ASP A 47 5.034 8.274 -1.620 1.00 0.09 N ATOM 767 CA ASP A 47 5.716 8.309 -2.900 1.00 0.10 C ATOM 768 C ASP A 47 7.026 7.544 -2.792 1.00 0.10 C ATOM 769 O ASP A 47 7.414 7.127 -1.701 1.00 0.16 O ATOM 770 CB ASP A 47 5.987 9.754 -3.333 1.00 0.11 C ATOM 771 CG ASP A 47 4.713 10.549 -3.543 1.00 0.73 C ATOM 772 OD1 ASP A 47 4.183 10.535 -4.675 1.00 1.31 O ATOM 773 OD2 ASP A 47 4.246 11.188 -2.577 1.00 0.96 O ATOM 0 H ASP A 47 5.658 8.176 -0.819 1.00 0.09 H new ATOM 0 HA ASP A 47 5.079 7.843 -3.652 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.598 10.247 -2.577 1.00 0.11 H new ATOM 0 HB3 ASP A 47 6.565 9.750 -4.257 1.00 0.11 H new ATOM 778 N ASP A 48 7.697 7.352 -3.918 1.00 0.12 N ATOM 779 CA ASP A 48 8.962 6.655 -3.939 1.00 0.14 C ATOM 780 C ASP A 48 9.884 7.208 -2.858 1.00 0.14 C ATOM 781 O ASP A 48 10.411 6.464 -2.033 1.00 0.21 O ATOM 782 CB ASP A 48 9.595 6.816 -5.316 1.00 0.17 C ATOM 783 CG ASP A 48 9.545 8.246 -5.815 1.00 1.06 C ATOM 784 OD1 ASP A 48 8.509 8.636 -6.395 1.00 1.73 O ATOM 785 OD2 ASP A 48 10.540 8.976 -5.626 1.00 1.65 O ATOM 0 H ASP A 48 7.379 7.674 -4.832 1.00 0.12 H new ATOM 0 HA ASP A 48 8.801 5.596 -3.739 1.00 0.14 H new ATOM 0 HB2 ASP A 48 10.633 6.485 -5.276 1.00 0.17 H new ATOM 0 HB3 ASP A 48 9.081 6.169 -6.026 1.00 0.17 H new ATOM 790 N GLU A 49 10.048 8.525 -2.863 1.00 0.14 N ATOM 791 CA GLU A 49 10.897 9.202 -1.883 1.00 0.16 C ATOM 792 C GLU A 49 10.534 8.802 -0.458 1.00 0.13 C ATOM 793 O GLU A 49 11.353 8.225 0.254 1.00 0.19 O ATOM 794 CB GLU A 49 10.783 10.720 -2.022 1.00 0.23 C ATOM 795 CG GLU A 49 11.626 11.490 -1.012 1.00 0.37 C ATOM 796 CD GLU A 49 11.430 12.989 -1.113 1.00 0.46 C ATOM 797 OE1 GLU A 49 12.040 13.608 -2.009 1.00 0.51 O ATOM 798 OE2 GLU A 49 10.666 13.545 -0.296 1.00 0.52 O ATOM 0 H GLU A 49 9.604 9.150 -3.536 1.00 0.14 H new ATOM 0 HA GLU A 49 11.923 8.894 -2.083 1.00 0.16 H new ATOM 0 HB2 GLU A 49 11.085 11.008 -3.029 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.739 11.010 -1.907 1.00 0.23 H new ATOM 0 HG2 GLU A 49 11.371 11.161 -0.005 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.679 11.254 -1.167 1.00 0.37 H new ATOM 805 N THR A 50 9.301 9.109 -0.049 1.00 0.11 N ATOM 806 CA THR A 50 8.842 8.799 1.299 1.00 0.10 C ATOM 807 C THR A 50 9.185 7.369 1.683 1.00 0.09 C ATOM 808 O THR A 50 9.768 7.129 2.736 1.00 0.13 O ATOM 809 CB THR A 50 7.325 9.010 1.445 1.00 0.12 C ATOM 810 OG1 THR A 50 6.985 10.369 1.147 1.00 0.19 O ATOM 811 CG2 THR A 50 6.872 8.666 2.855 1.00 0.14 C ATOM 0 H THR A 50 8.606 9.572 -0.635 1.00 0.11 H new ATOM 0 HA THR A 50 9.359 9.485 1.970 1.00 0.10 H new ATOM 0 HB THR A 50 6.817 8.350 0.741 1.00 0.12 H new ATOM 0 HG1 THR A 50 6.017 10.492 1.241 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.796 8.821 2.940 1.00 0.14 H new ATOM 0 HG22 THR A 50 7.106 7.623 3.068 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.388 9.307 3.570 1.00 0.14 H new ATOM 819 N LEU A 51 8.829 6.429 0.817 1.00 0.09 N ATOM 820 CA LEU A 51 9.107 5.018 1.057 1.00 0.11 C ATOM 821 C LEU A 51 10.572 4.823 1.417 1.00 0.11 C ATOM 822 O LEU A 51 10.901 4.053 2.319 1.00 0.14 O ATOM 823 CB LEU A 51 8.752 4.212 -0.190 1.00 0.12 C ATOM 824 CG LEU A 51 7.257 3.978 -0.394 1.00 0.16 C ATOM 825 CD1 LEU A 51 6.979 3.553 -1.822 1.00 0.89 C ATOM 826 CD2 LEU A 51 6.749 2.933 0.588 1.00 0.74 C ATOM 0 H LEU A 51 8.346 6.619 -0.061 1.00 0.09 H new ATOM 0 HA LEU A 51 8.501 4.668 1.893 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.148 4.728 -1.065 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.253 3.246 -0.136 1.00 0.12 H new ATOM 0 HG LEU A 51 6.727 4.912 -0.207 1.00 0.16 H new ATOM 0 HD11 LEU A 51 5.909 3.390 -1.951 1.00 0.89 H new ATOM 0 HD12 LEU A 51 7.312 4.334 -2.505 1.00 0.89 H new ATOM 0 HD13 LEU A 51 7.515 2.629 -2.038 1.00 0.89 H new ATOM 0 HD21 LEU A 51 5.682 2.776 0.432 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.281 1.995 0.429 1.00 0.74 H new ATOM 0 HD23 LEU A 51 6.920 3.279 1.608 1.00 0.74 H new ATOM 838 N GLU A 52 11.447 5.530 0.712 1.00 0.10 N ATOM 839 CA GLU A 52 12.876 5.458 0.979 1.00 0.13 C ATOM 840 C GLU A 52 13.149 5.997 2.372 1.00 0.13 C ATOM 841 O GLU A 52 13.960 5.457 3.126 1.00 0.16 O ATOM 842 CB GLU A 52 13.647 6.285 -0.047 1.00 0.16 C ATOM 843 CG GLU A 52 15.095 5.854 -0.219 1.00 0.33 C ATOM 844 CD GLU A 52 15.866 6.758 -1.160 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.203 7.890 -0.752 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.134 6.334 -2.304 1.00 0.52 O ATOM 0 H GLU A 52 11.191 6.159 -0.049 1.00 0.10 H new ATOM 0 HA GLU A 52 13.202 4.420 0.911 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.140 6.217 -1.010 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.623 7.333 0.252 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.586 5.846 0.754 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.123 4.833 -0.598 1.00 0.33 H new ATOM 853 N LYS A 53 12.452 7.076 2.693 1.00 0.13 N ATOM 854 CA LYS A 53 12.575 7.726 3.990 1.00 0.16 C ATOM 855 C LYS A 53 12.196 6.767 5.119 1.00 0.18 C ATOM 856 O LYS A 53 12.772 6.818 6.206 1.00 0.25 O ATOM 857 CB LYS A 53 11.699 8.975 4.027 1.00 0.17 C ATOM 858 CG LYS A 53 11.890 9.858 2.808 1.00 0.42 C ATOM 859 CD LYS A 53 13.157 10.684 2.919 1.00 0.60 C ATOM 860 CE LYS A 53 12.957 11.844 3.869 1.00 1.54 C ATOM 861 NZ LYS A 53 12.536 13.082 3.157 1.00 2.19 N ATOM 0 H LYS A 53 11.787 7.525 2.064 1.00 0.13 H new ATOM 0 HA LYS A 53 13.615 8.019 4.137 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.652 8.678 4.096 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.928 9.548 4.926 1.00 0.17 H new ATOM 0 HG2 LYS A 53 11.934 9.239 1.912 1.00 0.42 H new ATOM 0 HG3 LYS A 53 11.031 10.519 2.697 1.00 0.42 H new ATOM 0 HD2 LYS A 53 13.976 10.057 3.270 1.00 0.60 H new ATOM 0 HD3 LYS A 53 13.441 11.058 1.935 1.00 0.60 H new ATOM 0 HE2 LYS A 53 12.204 11.579 4.611 1.00 1.54 H new ATOM 0 HE3 LYS A 53 13.884 12.034 4.409 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 12.410 13.852 3.845 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 13.266 13.350 2.466 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 11.638 12.909 2.662 1.00 2.19 H new ATOM 875 N LYS A 54 11.224 5.888 4.856 1.00 0.13 N ATOM 876 CA LYS A 54 10.785 4.911 5.846 1.00 0.16 C ATOM 877 C LYS A 54 11.836 3.824 5.989 1.00 0.17 C ATOM 878 O LYS A 54 12.333 3.549 7.081 1.00 0.21 O ATOM 879 CB LYS A 54 9.458 4.274 5.424 1.00 0.16 C ATOM 880 CG LYS A 54 8.533 5.227 4.693 1.00 0.25 C ATOM 881 CD LYS A 54 8.073 6.344 5.606 1.00 0.39 C ATOM 882 CE LYS A 54 6.573 6.294 5.809 1.00 0.30 C ATOM 883 NZ LYS A 54 6.152 7.059 7.015 1.00 1.20 N ATOM 0 H LYS A 54 10.729 5.836 3.966 1.00 0.13 H new ATOM 0 HA LYS A 54 10.645 5.422 6.798 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.664 3.417 4.783 1.00 0.16 H new ATOM 0 HB3 LYS A 54 8.949 3.894 6.310 1.00 0.16 H new ATOM 0 HG2 LYS A 54 9.047 5.647 3.829 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.668 4.682 4.315 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.577 6.263 6.569 1.00 0.39 H new ATOM 0 HD3 LYS A 54 8.354 7.307 5.179 1.00 0.39 H new ATOM 0 HE2 LYS A 54 6.074 6.699 4.929 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.254 5.256 5.907 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 5.403 6.537 7.513 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 6.967 7.184 7.649 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 5.792 7.991 6.727 1.00 1.20 H new ATOM 897 N GLY A 55 12.157 3.214 4.858 1.00 0.19 N ATOM 898 CA GLY A 55 13.140 2.155 4.820 1.00 0.23 C ATOM 899 C GLY A 55 13.185 1.486 3.462 1.00 0.25 C ATOM 900 O GLY A 55 14.140 0.781 3.139 1.00 0.38 O ATOM 0 H GLY A 55 11.745 3.440 3.952 1.00 0.19 H new ATOM 0 HA2 GLY A 55 14.123 2.561 5.059 1.00 0.23 H new ATOM 0 HA3 GLY A 55 12.907 1.414 5.584 1.00 0.23 H new ATOM 904 N VAL A 56 12.135 1.705 2.674 1.00 0.17 N ATOM 905 CA VAL A 56 12.046 1.150 1.330 1.00 0.21 C ATOM 906 C VAL A 56 13.068 1.826 0.422 1.00 0.40 C ATOM 907 O VAL A 56 12.730 2.699 -0.377 1.00 0.89 O ATOM 908 CB VAL A 56 10.632 1.347 0.745 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.421 0.475 -0.483 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.569 1.063 1.798 1.00 0.17 C ATOM 0 H VAL A 56 11.329 2.268 2.948 1.00 0.17 H new ATOM 0 HA VAL A 56 12.254 0.082 1.388 1.00 0.21 H new ATOM 0 HB VAL A 56 10.538 2.388 0.436 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.416 0.634 -0.874 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.153 0.738 -1.246 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.542 -0.573 -0.210 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.580 1.208 1.364 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.666 0.034 2.145 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.700 1.743 2.640 1.00 0.17 H new ATOM 920 N LEU A 57 14.318 1.405 0.555 1.00 0.21 N ATOM 921 CA LEU A 57 15.422 1.974 -0.211 1.00 0.26 C ATOM 922 C LEU A 57 15.478 1.420 -1.632 1.00 0.36 C ATOM 923 O LEU A 57 16.024 2.059 -2.533 1.00 0.83 O ATOM 924 CB LEU A 57 16.737 1.685 0.515 1.00 0.34 C ATOM 925 CG LEU A 57 17.141 2.691 1.607 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.922 3.351 2.235 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.965 1.999 2.679 1.00 0.55 C ATOM 0 H LEU A 57 14.597 0.661 1.195 1.00 0.21 H new ATOM 0 HA LEU A 57 15.262 3.049 -0.289 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.669 0.696 0.968 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.536 1.643 -0.225 1.00 0.34 H new ATOM 0 HG LEU A 57 17.741 3.469 1.136 1.00 0.37 H new ATOM 0 HD11 LEU A 57 16.244 4.055 3.002 1.00 0.24 H new ATOM 0 HD12 LEU A 57 15.360 3.883 1.467 1.00 0.24 H new ATOM 0 HD13 LEU A 57 15.287 2.588 2.686 1.00 0.24 H new ATOM 0 HD21 LEU A 57 18.245 2.721 3.446 1.00 0.55 H new ATOM 0 HD22 LEU A 57 17.377 1.200 3.130 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.865 1.579 2.231 1.00 0.55 H new ATOM 939 N ALA A 58 14.914 0.237 -1.828 1.00 0.21 N ATOM 940 CA ALA A 58 14.912 -0.401 -3.136 1.00 0.17 C ATOM 941 C ALA A 58 14.148 0.410 -4.160 1.00 0.13 C ATOM 942 O ALA A 58 12.924 0.507 -4.099 1.00 0.12 O ATOM 943 CB ALA A 58 14.310 -1.789 -3.042 1.00 0.18 C ATOM 0 H ALA A 58 14.451 -0.301 -1.096 1.00 0.21 H new ATOM 0 HA ALA A 58 15.950 -0.469 -3.463 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.315 -2.255 -4.027 1.00 0.18 H new ATOM 0 HB2 ALA A 58 14.897 -2.394 -2.352 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.285 -1.717 -2.679 1.00 0.18 H new ATOM 949 N LEU A 59 14.879 1.000 -5.100 1.00 0.14 N ATOM 950 CA LEU A 59 14.255 1.766 -6.162 1.00 0.13 C ATOM 951 C LEU A 59 13.199 0.903 -6.823 1.00 0.12 C ATOM 952 O LEU A 59 12.211 1.397 -7.360 1.00 0.14 O ATOM 953 CB LEU A 59 15.298 2.205 -7.194 1.00 0.15 C ATOM 954 CG LEU A 59 15.873 3.604 -6.983 1.00 0.19 C ATOM 955 CD1 LEU A 59 14.776 4.639 -7.131 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.529 3.716 -5.616 1.00 0.27 C ATOM 0 H LEU A 59 15.897 0.961 -5.145 1.00 0.14 H new ATOM 0 HA LEU A 59 13.797 2.662 -5.744 1.00 0.13 H new ATOM 0 HB2 LEU A 59 16.118 1.487 -7.186 1.00 0.15 H new ATOM 0 HB3 LEU A 59 14.846 2.161 -8.185 1.00 0.15 H new ATOM 0 HG LEU A 59 16.636 3.786 -7.740 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.192 5.635 -6.979 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.347 4.574 -8.131 1.00 0.24 H new ATOM 0 HD13 LEU A 59 13.999 4.454 -6.389 1.00 0.24 H new ATOM 0 HD21 LEU A 59 16.932 4.721 -5.487 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.789 3.519 -4.840 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.337 2.989 -5.540 1.00 0.27 H new ATOM 968 N GLY A 60 13.436 -0.403 -6.777 1.00 0.12 N ATOM 969 CA GLY A 60 12.509 -1.350 -7.345 1.00 0.12 C ATOM 970 C GLY A 60 11.277 -1.545 -6.483 1.00 0.11 C ATOM 971 O GLY A 60 10.174 -1.670 -6.999 1.00 0.14 O ATOM 0 H GLY A 60 14.263 -0.821 -6.351 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.206 -1.008 -8.334 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.010 -2.309 -7.479 1.00 0.12 H new ATOM 975 N ALA A 61 11.471 -1.579 -5.166 1.00 0.10 N ATOM 976 CA ALA A 61 10.373 -1.777 -4.225 1.00 0.10 C ATOM 977 C ALA A 61 9.490 -0.541 -4.070 1.00 0.11 C ATOM 978 O ALA A 61 8.273 -0.619 -4.230 1.00 0.16 O ATOM 979 CB ALA A 61 10.919 -2.197 -2.870 1.00 0.13 C ATOM 0 H ALA A 61 12.385 -1.471 -4.725 1.00 0.10 H new ATOM 0 HA ALA A 61 9.744 -2.566 -4.636 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.093 -2.343 -2.174 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.474 -3.129 -2.974 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.582 -1.421 -2.488 1.00 0.13 H new ATOM 985 N ARG A 62 10.102 0.599 -3.750 1.00 0.14 N ATOM 986 CA ARG A 62 9.349 1.827 -3.535 1.00 0.16 C ATOM 987 C ARG A 62 8.649 2.312 -4.792 1.00 0.11 C ATOM 988 O ARG A 62 7.424 2.432 -4.811 1.00 0.11 O ATOM 989 CB ARG A 62 10.251 2.923 -2.965 1.00 0.23 C ATOM 990 CG ARG A 62 11.403 3.351 -3.859 1.00 0.32 C ATOM 991 CD ARG A 62 12.335 4.292 -3.112 1.00 0.23 C ATOM 992 NE ARG A 62 13.376 4.855 -3.968 1.00 0.21 N ATOM 993 CZ ARG A 62 13.728 6.139 -3.946 1.00 0.46 C ATOM 994 NH1 ARG A 62 13.094 6.991 -3.154 1.00 0.81 N ATOM 995 NH2 ARG A 62 14.716 6.574 -4.716 1.00 0.48 N ATOM 0 H ARG A 62 11.111 0.694 -3.635 1.00 0.14 H new ATOM 0 HA ARG A 62 8.571 1.595 -2.808 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.638 3.798 -2.748 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.660 2.576 -2.016 1.00 0.23 H new ATOM 0 HG2 ARG A 62 11.955 2.474 -4.195 1.00 0.32 H new ATOM 0 HG3 ARG A 62 11.016 3.845 -4.750 1.00 0.32 H new ATOM 0 HD2 ARG A 62 11.752 5.103 -2.676 1.00 0.23 H new ATOM 0 HD3 ARG A 62 12.801 3.755 -2.286 1.00 0.23 H new ATOM 0 HE ARG A 62 13.858 4.232 -4.616 1.00 0.21 H new ATOM 0 HH11 ARG A 62 12.333 6.664 -2.558 1.00 0.81 H new ATOM 0 HH12 ARG A 62 13.367 7.974 -3.140 1.00 0.81 H new ATOM 0 HH21 ARG A 62 15.209 5.924 -5.328 1.00 0.48 H new ATOM 0 HH22 ARG A 62 14.983 7.558 -4.696 1.00 0.48 H new ATOM 1009 N ARG A 63 9.418 2.606 -5.828 1.00 0.12 N ATOM 1010 CA ARG A 63 8.837 3.067 -7.081 1.00 0.13 C ATOM 1011 C ARG A 63 7.717 2.122 -7.505 1.00 0.12 C ATOM 1012 O ARG A 63 6.804 2.505 -8.237 1.00 0.14 O ATOM 1013 CB ARG A 63 9.892 3.145 -8.184 1.00 0.16 C ATOM 1014 CG ARG A 63 10.848 4.317 -8.038 1.00 0.79 C ATOM 1015 CD ARG A 63 11.758 4.442 -9.248 1.00 0.75 C ATOM 1016 NE ARG A 63 12.581 5.648 -9.195 1.00 1.33 N ATOM 1017 CZ ARG A 63 13.284 6.107 -10.227 1.00 1.56 C ATOM 1018 NH1 ARG A 63 13.262 5.464 -11.387 1.00 1.33 N ATOM 1019 NH2 ARG A 63 14.007 7.210 -10.099 1.00 2.47 N ATOM 0 H ARG A 63 10.436 2.535 -5.829 1.00 0.12 H new ATOM 0 HA ARG A 63 8.435 4.068 -6.924 1.00 0.13 H new ATOM 0 HB2 ARG A 63 10.466 2.219 -8.190 1.00 0.16 H new ATOM 0 HB3 ARG A 63 9.390 3.216 -9.149 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.280 5.239 -7.911 1.00 0.79 H new ATOM 0 HG3 ARG A 63 11.451 4.188 -7.139 1.00 0.79 H new ATOM 0 HD2 ARG A 63 12.403 3.566 -9.308 1.00 0.75 H new ATOM 0 HD3 ARG A 63 11.154 4.455 -10.155 1.00 0.75 H new ATOM 0 HE ARG A 63 12.619 6.167 -8.318 1.00 1.33 H new ATOM 0 HH11 ARG A 63 12.705 4.616 -11.489 1.00 1.33 H new ATOM 0 HH12 ARG A 63 13.802 5.818 -12.177 1.00 1.33 H new ATOM 0 HH21 ARG A 63 14.025 7.708 -9.209 1.00 2.47 H new ATOM 0 HH22 ARG A 63 14.546 7.561 -10.891 1.00 2.47 H new ATOM 1033 N LYS A 64 7.805 0.879 -7.032 1.00 0.10 N ATOM 1034 CA LYS A 64 6.803 -0.137 -7.337 1.00 0.13 C ATOM 1035 C LYS A 64 5.567 0.044 -6.467 1.00 0.11 C ATOM 1036 O LYS A 64 4.442 -0.110 -6.937 1.00 0.12 O ATOM 1037 CB LYS A 64 7.380 -1.530 -7.113 1.00 0.18 C ATOM 1038 CG LYS A 64 6.437 -2.654 -7.509 1.00 0.76 C ATOM 1039 CD LYS A 64 6.428 -2.864 -9.015 1.00 1.33 C ATOM 1040 CE LYS A 64 7.686 -3.577 -9.486 1.00 1.80 C ATOM 1041 NZ LYS A 64 7.672 -3.818 -10.955 1.00 2.52 N ATOM 0 H LYS A 64 8.564 0.552 -6.434 1.00 0.10 H new ATOM 0 HA LYS A 64 6.517 -0.026 -8.383 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.305 -1.626 -7.682 1.00 0.18 H new ATOM 0 HB3 LYS A 64 7.641 -1.640 -6.060 1.00 0.18 H new ATOM 0 HG2 LYS A 64 6.739 -3.576 -7.013 1.00 0.76 H new ATOM 0 HG3 LYS A 64 5.428 -2.423 -7.166 1.00 0.76 H new ATOM 0 HD2 LYS A 64 5.551 -3.447 -9.297 1.00 1.33 H new ATOM 0 HD3 LYS A 64 6.345 -1.900 -9.517 1.00 1.33 H new ATOM 0 HE2 LYS A 64 8.560 -2.981 -9.224 1.00 1.80 H new ATOM 0 HE3 LYS A 64 7.781 -4.529 -8.963 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 8.547 -4.306 -11.235 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 6.852 -4.408 -11.202 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 7.607 -2.909 -11.455 1.00 2.52 H new ATOM 1055 N LEU A 65 5.786 0.351 -5.192 1.00 0.11 N ATOM 1056 CA LEU A 65 4.686 0.560 -4.262 1.00 0.11 C ATOM 1057 C LEU A 65 3.768 1.659 -4.767 1.00 0.08 C ATOM 1058 O LEU A 65 2.585 1.700 -4.431 1.00 0.09 O ATOM 1059 CB LEU A 65 5.218 0.916 -2.878 1.00 0.13 C ATOM 1060 CG LEU A 65 5.388 -0.274 -1.943 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.740 -0.224 -1.253 1.00 0.22 C ATOM 1062 CD2 LEU A 65 4.262 -0.318 -0.923 1.00 0.23 C ATOM 0 H LEU A 65 6.714 0.460 -4.782 1.00 0.11 H new ATOM 0 HA LEU A 65 4.117 -0.367 -4.189 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.181 1.415 -2.990 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.540 1.632 -2.415 1.00 0.13 H new ATOM 0 HG LEU A 65 5.344 -1.187 -2.537 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.842 -1.083 -0.589 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.532 -0.248 -2.002 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.818 0.695 -0.672 1.00 0.22 H new ATOM 0 HD21 LEU A 65 4.401 -1.175 -0.264 1.00 0.23 H new ATOM 0 HD22 LEU A 65 4.270 0.598 -0.333 1.00 0.23 H new ATOM 0 HD23 LEU A 65 3.306 -0.409 -1.440 1.00 0.23 H new ATOM 1074 N LEU A 66 4.324 2.549 -5.583 1.00 0.08 N ATOM 1075 CA LEU A 66 3.555 3.646 -6.149 1.00 0.09 C ATOM 1076 C LEU A 66 2.423 3.100 -7.005 1.00 0.11 C ATOM 1077 O LEU A 66 1.426 3.783 -7.243 1.00 0.14 O ATOM 1078 CB LEU A 66 4.458 4.567 -6.969 1.00 0.11 C ATOM 1079 CG LEU A 66 5.197 5.630 -6.152 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.571 5.900 -6.738 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.380 6.912 -6.088 1.00 0.14 C ATOM 0 H LEU A 66 5.304 2.530 -5.866 1.00 0.08 H new ATOM 0 HA LEU A 66 3.125 4.231 -5.336 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.192 3.958 -7.497 1.00 0.11 H new ATOM 0 HB3 LEU A 66 3.854 5.066 -7.727 1.00 0.11 H new ATOM 0 HG LEU A 66 5.329 5.253 -5.138 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.078 6.658 -6.142 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.157 4.981 -6.730 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.466 6.255 -7.763 1.00 0.15 H new ATOM 0 HD21 LEU A 66 4.919 7.658 -5.504 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.217 7.290 -7.097 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.418 6.708 -5.617 1.00 0.14 H new ATOM 1093 N LYS A 67 2.583 1.862 -7.465 1.00 0.12 N ATOM 1094 CA LYS A 67 1.558 1.216 -8.268 1.00 0.16 C ATOM 1095 C LYS A 67 0.449 0.728 -7.355 1.00 0.14 C ATOM 1096 O LYS A 67 -0.735 0.815 -7.683 1.00 0.16 O ATOM 1097 CB LYS A 67 2.125 0.045 -9.057 1.00 0.22 C ATOM 1098 CG LYS A 67 1.137 -0.520 -10.061 1.00 0.84 C ATOM 1099 CD LYS A 67 1.799 -1.527 -10.968 1.00 1.26 C ATOM 1100 CE LYS A 67 2.013 -2.852 -10.260 1.00 1.56 C ATOM 1101 NZ LYS A 67 2.502 -3.909 -11.187 1.00 2.20 N ATOM 0 H LYS A 67 3.411 1.291 -7.294 1.00 0.12 H new ATOM 0 HA LYS A 67 1.169 1.942 -8.982 1.00 0.16 H new ATOM 0 HB2 LYS A 67 3.025 0.367 -9.581 1.00 0.22 H new ATOM 0 HB3 LYS A 67 2.424 -0.743 -8.365 1.00 0.22 H new ATOM 0 HG2 LYS A 67 0.308 -0.991 -9.534 1.00 0.84 H new ATOM 0 HG3 LYS A 67 0.717 0.290 -10.657 1.00 0.84 H new ATOM 0 HD2 LYS A 67 1.183 -1.681 -11.854 1.00 1.26 H new ATOM 0 HD3 LYS A 67 2.757 -1.136 -11.310 1.00 1.26 H new ATOM 0 HE2 LYS A 67 2.732 -2.719 -9.451 1.00 1.56 H new ATOM 0 HE3 LYS A 67 1.077 -3.175 -9.804 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 2.635 -4.797 -10.662 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 1.805 -4.056 -11.945 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 3.408 -3.614 -11.603 1.00 2.20 H new ATOM 1115 N ALA A 68 0.856 0.216 -6.197 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.085 -0.284 -5.209 1.00 0.14 C ATOM 1117 C ALA A 68 -0.815 0.873 -4.546 1.00 0.13 C ATOM 1118 O ALA A 68 -1.915 0.711 -4.033 1.00 0.23 O ATOM 1119 CB ALA A 68 0.635 -1.129 -4.163 1.00 0.17 C ATOM 0 H ALA A 68 1.835 0.138 -5.923 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.816 -0.914 -5.715 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.086 -1.495 -3.432 1.00 0.17 H new ATOM 0 HB2 ALA A 68 1.119 -1.976 -4.650 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.387 -0.521 -3.659 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.194 2.046 -4.574 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.775 3.238 -3.977 1.00 0.11 C ATOM 1127 C PHE A 69 -1.972 3.735 -4.784 1.00 0.10 C ATOM 1128 O PHE A 69 -2.986 4.146 -4.220 1.00 0.12 O ATOM 1129 CB PHE A 69 0.274 4.351 -3.903 1.00 0.11 C ATOM 1130 CG PHE A 69 1.386 4.123 -2.909 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.342 3.078 -1.994 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.482 4.971 -2.890 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.364 2.891 -1.086 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.509 4.785 -1.983 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.449 3.745 -1.079 1.00 0.12 C ATOM 0 H PHE A 69 0.717 2.195 -5.007 1.00 0.11 H new ATOM 0 HA PHE A 69 -1.113 2.976 -2.974 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.714 4.480 -4.892 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.228 5.285 -3.653 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.498 2.404 -1.994 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.535 5.789 -3.594 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.315 2.075 -0.380 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.357 5.453 -1.982 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.248 3.599 -0.368 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.845 3.692 -6.108 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.907 4.171 -6.975 1.00 0.13 C ATOM 1147 C GLY A 70 -4.107 3.249 -7.043 1.00 0.13 C ATOM 1148 O GLY A 70 -5.242 3.704 -6.920 1.00 0.13 O ATOM 0 H GLY A 70 -1.024 3.333 -6.596 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.233 5.151 -6.626 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.508 4.307 -7.980 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.867 1.961 -7.245 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.955 0.997 -7.331 1.00 0.15 C ATOM 1154 C ILE A 71 -5.847 1.090 -6.099 1.00 0.13 C ATOM 1155 O ILE A 71 -7.065 0.934 -6.186 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.418 -0.439 -7.473 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.451 -0.521 -8.655 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.567 -1.421 -7.657 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.419 -1.616 -8.517 1.00 0.25 C ATOM 0 H ILE A 71 -2.935 1.561 -7.352 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.540 1.237 -8.219 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.882 -0.705 -6.562 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -4.021 -0.684 -9.570 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -2.941 0.436 -8.763 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -5.170 -2.431 -7.756 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -6.228 -1.374 -6.792 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -6.127 -1.162 -8.556 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.768 -1.615 -9.391 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.823 -1.444 -7.621 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -2.920 -2.581 -8.439 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.229 1.346 -4.952 1.00 0.11 N ATOM 1172 CA VAL A 72 -5.970 1.478 -3.701 1.00 0.11 C ATOM 1173 C VAL A 72 -6.766 2.772 -3.698 1.00 0.12 C ATOM 1174 O VAL A 72 -7.949 2.789 -3.367 1.00 0.15 O ATOM 1175 CB VAL A 72 -5.035 1.473 -2.479 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.834 1.588 -1.185 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.164 0.230 -2.471 1.00 0.12 C ATOM 0 H VAL A 72 -4.220 1.466 -4.861 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.639 0.620 -3.632 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.380 2.342 -2.549 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.152 1.582 -0.335 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.401 2.519 -1.189 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.520 0.745 -1.105 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.511 0.249 -1.598 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.796 -0.657 -2.433 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.558 0.205 -3.377 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.091 3.856 -4.067 1.00 0.13 N ATOM 1188 CA ILE A 73 -6.704 5.174 -4.115 1.00 0.16 C ATOM 1189 C ILE A 73 -7.957 5.176 -4.986 1.00 0.19 C ATOM 1190 O ILE A 73 -9.021 5.591 -4.544 1.00 0.28 O ATOM 1191 CB ILE A 73 -5.708 6.225 -4.654 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -4.719 6.628 -3.563 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.449 7.443 -5.183 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.557 7.455 -4.069 1.00 0.16 C ATOM 0 H ILE A 73 -5.108 3.844 -4.340 1.00 0.13 H new ATOM 0 HA ILE A 73 -6.986 5.433 -3.094 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.150 5.782 -5.479 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.249 7.193 -2.796 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.332 5.728 -3.086 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -5.730 8.172 -5.558 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.115 7.141 -5.991 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -7.034 7.891 -4.379 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -2.898 7.703 -3.237 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -3.002 6.885 -4.814 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -3.933 8.373 -4.520 1.00 0.16 H new ATOM 1206 N ASP A 74 -7.813 4.722 -6.223 1.00 0.18 N ATOM 1207 CA ASP A 74 -8.930 4.672 -7.164 1.00 0.21 C ATOM 1208 C ASP A 74 -10.145 3.984 -6.550 1.00 0.19 C ATOM 1209 O ASP A 74 -11.216 4.579 -6.480 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.509 3.949 -8.444 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.569 4.020 -9.526 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -9.627 5.047 -10.234 1.00 0.61 O ATOM 1213 OD2 ASP A 74 -10.340 3.048 -9.666 1.00 0.55 O ATOM 0 H ASP A 74 -6.930 4.381 -6.603 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.210 5.697 -7.405 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.583 4.387 -8.817 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.298 2.905 -8.215 1.00 0.26 H new ATOM 1218 N TYR A 75 -9.989 2.733 -6.114 1.00 0.20 N ATOM 1219 CA TYR A 75 -11.102 2.011 -5.497 1.00 0.25 C ATOM 1220 C TYR A 75 -11.620 2.807 -4.311 1.00 0.27 C ATOM 1221 O TYR A 75 -12.827 2.929 -4.109 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.661 0.605 -5.056 1.00 0.31 C ATOM 1223 CG TYR A 75 -10.811 -0.470 -6.121 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.049 -0.141 -7.446 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -10.721 -1.817 -5.793 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -11.194 -1.113 -8.414 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -10.860 -2.800 -6.755 1.00 1.41 C ATOM 1228 CZ TYR A 75 -11.097 -2.443 -8.065 1.00 0.99 C ATOM 1229 OH TYR A 75 -11.239 -3.417 -9.027 1.00 1.24 O ATOM 0 H TYR A 75 -9.118 2.206 -6.175 1.00 0.20 H new ATOM 0 HA TYR A 75 -11.902 1.894 -6.228 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.617 0.647 -4.746 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -11.242 0.314 -4.181 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -11.123 0.899 -7.727 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -10.539 -2.102 -4.767 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.383 -0.833 -9.440 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -10.783 -3.842 -6.482 1.00 1.41 H new ATOM 0 HH TYR A 75 -11.142 -4.301 -8.615 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.695 3.352 -3.535 1.00 0.24 N ATOM 1240 CA LYS A 76 -11.047 4.179 -2.395 1.00 0.30 C ATOM 1241 C LYS A 76 -11.922 5.327 -2.884 1.00 0.37 C ATOM 1242 O LYS A 76 -12.870 5.745 -2.219 1.00 0.51 O ATOM 1243 CB LYS A 76 -9.764 4.709 -1.737 1.00 0.29 C ATOM 1244 CG LYS A 76 -9.945 5.968 -0.907 1.00 0.40 C ATOM 1245 CD LYS A 76 -8.911 7.015 -1.285 1.00 0.43 C ATOM 1246 CE LYS A 76 -8.089 7.452 -0.086 1.00 0.75 C ATOM 1247 NZ LYS A 76 -8.941 8.068 0.969 1.00 1.66 N ATOM 0 H LYS A 76 -9.692 3.235 -3.676 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.598 3.601 -1.653 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.350 3.927 -1.100 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -9.028 4.908 -2.516 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -10.947 6.368 -1.059 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -9.855 5.727 0.152 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -8.250 6.613 -2.052 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.412 7.881 -1.718 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -7.562 6.592 0.327 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -7.331 8.167 -0.405 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -8.355 8.674 1.578 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -9.685 8.641 0.523 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -9.378 7.319 1.543 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.573 5.820 -4.066 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.279 6.902 -4.716 1.00 0.36 C ATOM 1263 C GLU A 77 -13.602 6.433 -5.323 1.00 0.34 C ATOM 1264 O GLU A 77 -14.548 7.214 -5.431 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.374 7.496 -5.793 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.223 8.301 -5.220 1.00 0.49 C ATOM 1267 CD GLU A 77 -9.730 9.376 -6.169 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -8.831 9.079 -6.985 1.00 1.16 O ATOM 1269 OE2 GLU A 77 -10.242 10.512 -6.098 1.00 1.09 O ATOM 0 H GLU A 77 -10.779 5.470 -4.603 1.00 0.31 H new ATOM 0 HA GLU A 77 -12.525 7.660 -3.973 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -10.976 6.691 -6.410 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -11.967 8.135 -6.447 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -10.539 8.765 -4.285 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.399 7.629 -4.980 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.672 5.158 -5.721 1.00 0.31 N ATOM 1277 CA ARG A 78 -14.884 4.625 -6.324 1.00 0.33 C ATOM 1278 C ARG A 78 -15.675 3.790 -5.341 1.00 0.36 C ATOM 1279 O ARG A 78 -16.239 2.749 -5.676 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.550 3.836 -7.568 1.00 0.34 C ATOM 1281 CG ARG A 78 -13.564 2.728 -7.394 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.320 2.022 -8.716 1.00 0.42 C ATOM 1283 NE ARG A 78 -13.062 2.963 -9.803 1.00 1.15 N ATOM 1284 CZ ARG A 78 -13.008 2.614 -11.085 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -13.201 1.351 -11.441 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -12.765 3.529 -12.013 1.00 2.37 N ATOM 0 H ARG A 78 -12.908 4.487 -5.635 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.515 5.466 -6.610 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -15.473 3.415 -7.966 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -14.164 4.525 -8.319 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -12.625 3.126 -7.008 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -13.935 2.015 -6.657 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -12.471 1.346 -8.614 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -14.187 1.410 -8.965 1.00 0.42 H new ATOM 0 HE ARG A 78 -12.915 3.944 -9.565 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -13.391 0.644 -10.731 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -13.159 1.086 -12.425 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -12.619 4.502 -11.744 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -12.724 3.260 -12.996 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.708 4.301 -4.134 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.418 3.695 -3.015 1.00 0.43 C ATOM 1302 C ASP A 79 -16.353 2.169 -3.034 1.00 0.40 C ATOM 1303 O ASP A 79 -17.318 1.495 -2.669 1.00 0.47 O ATOM 1304 CB ASP A 79 -17.870 4.163 -3.017 1.00 0.54 C ATOM 1305 CG ASP A 79 -18.662 3.614 -4.189 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -18.619 4.229 -5.274 1.00 2.13 O ATOM 1307 OD2 ASP A 79 -19.325 2.569 -4.020 1.00 2.00 O ATOM 0 H ASP A 79 -15.233 5.170 -3.889 1.00 0.38 H new ATOM 0 HA ASP A 79 -15.924 4.019 -2.099 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -18.347 3.856 -2.086 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -17.896 5.252 -3.045 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.216 1.626 -3.453 1.00 0.32 N ATOM 1313 CA LEU A 80 -15.040 0.183 -3.500 1.00 0.32 C ATOM 1314 C LEU A 80 -14.427 -0.329 -2.199 1.00 0.31 C ATOM 1315 O LEU A 80 -14.605 -1.491 -1.834 1.00 0.50 O ATOM 1316 CB LEU A 80 -14.182 -0.221 -4.699 1.00 0.29 C ATOM 1317 CG LEU A 80 -14.940 -0.971 -5.792 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.410 -0.011 -6.864 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -14.062 -2.037 -6.402 1.00 0.39 C ATOM 0 H LEU A 80 -14.406 2.162 -3.764 1.00 0.32 H new ATOM 0 HA LEU A 80 -16.022 -0.275 -3.617 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.738 0.676 -5.131 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.361 -0.846 -4.349 1.00 0.29 H new ATOM 0 HG LEU A 80 -15.811 -1.447 -5.342 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -15.948 -0.562 -7.635 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.072 0.733 -6.421 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.549 0.488 -7.309 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -14.616 -2.563 -7.180 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -13.177 -1.574 -6.837 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -13.759 -2.744 -5.630 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.703 0.546 -1.503 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.082 0.187 -0.232 1.00 0.14 C ATOM 1333 C ILE A 81 -13.990 0.565 0.928 1.00 0.13 C ATOM 1334 O ILE A 81 -14.533 1.670 0.969 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.714 0.875 -0.041 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.750 0.443 -1.147 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.137 0.540 1.333 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.408 1.142 -1.095 1.00 0.17 C ATOM 0 H ILE A 81 -13.533 1.507 -1.799 1.00 0.18 H new ATOM 0 HA ILE A 81 -12.926 -0.892 -0.250 1.00 0.14 H new ATOM 0 HB ILE A 81 -11.852 1.955 -0.101 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.592 -0.633 -1.078 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.212 0.636 -2.115 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.172 1.033 1.452 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.820 0.887 2.109 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -11.007 -0.539 1.420 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.779 0.784 -1.910 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.554 2.218 -1.195 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -8.923 0.929 -0.142 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.152 -0.357 1.867 1.00 0.13 N ATOM 1351 CA ASP A 82 -14.994 -0.121 3.026 1.00 0.13 C ATOM 1352 C ASP A 82 -14.496 1.080 3.812 1.00 0.13 C ATOM 1353 O ASP A 82 -13.301 1.203 4.085 1.00 0.13 O ATOM 1354 CB ASP A 82 -15.010 -1.351 3.928 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.268 -1.436 4.770 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -16.372 -0.680 5.760 1.00 0.41 O ATOM 1357 OD2 ASP A 82 -17.147 -2.259 4.443 1.00 0.47 O ATOM 0 H ASP A 82 -13.710 -1.276 1.846 1.00 0.13 H new ATOM 0 HA ASP A 82 -16.006 0.080 2.676 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.925 -2.248 3.315 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.139 -1.329 4.583 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.416 1.963 4.176 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.069 3.151 4.938 1.00 0.16 C ATOM 1364 C ARG A 83 -14.469 2.766 6.285 1.00 0.18 C ATOM 1365 O ARG A 83 -13.904 3.606 6.986 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.289 4.053 5.121 1.00 0.19 C ATOM 1367 CG ARG A 83 -16.606 4.888 3.889 1.00 0.33 C ATOM 1368 CD ARG A 83 -15.497 5.889 3.598 1.00 0.63 C ATOM 1369 NE ARG A 83 -15.645 6.518 2.286 1.00 0.52 N ATOM 1370 CZ ARG A 83 -16.155 7.733 2.104 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -16.571 8.445 3.144 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -16.247 8.238 0.882 1.00 1.48 N ATOM 0 H ARG A 83 -16.408 1.878 3.955 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.319 3.710 4.379 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.154 3.438 5.368 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.118 4.717 5.968 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -16.742 4.233 3.029 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -17.547 5.418 4.039 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -15.495 6.659 4.369 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -14.532 5.384 3.649 1.00 0.63 H new ATOM 0 HE ARG A 83 -15.340 5.996 1.465 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -16.500 8.061 4.086 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -16.962 9.376 3.001 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -15.927 7.695 0.080 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -16.638 9.170 0.743 1.00 1.48 H new ATOM 1386 N SER A 84 -14.605 1.493 6.644 1.00 0.17 N ATOM 1387 CA SER A 84 -14.060 0.996 7.901 1.00 0.20 C ATOM 1388 C SER A 84 -12.537 1.046 7.870 1.00 0.19 C ATOM 1389 O SER A 84 -11.897 1.343 8.879 1.00 0.23 O ATOM 1390 CB SER A 84 -14.532 -0.435 8.164 1.00 0.22 C ATOM 1391 OG SER A 84 -15.935 -0.482 8.357 1.00 1.09 O ATOM 0 H SER A 84 -15.086 0.790 6.084 1.00 0.17 H new ATOM 0 HA SER A 84 -14.420 1.634 8.708 1.00 0.20 H new ATOM 0 HB2 SER A 84 -14.256 -1.072 7.324 1.00 0.22 H new ATOM 0 HB3 SER A 84 -14.027 -0.832 9.045 1.00 0.22 H new ATOM 0 HG SER A 84 -16.376 -0.687 7.506 1.00 1.09 H new ATOM 1397 N ALA A 85 -11.962 0.758 6.703 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.513 0.787 6.543 1.00 0.16 C ATOM 1399 C ALA A 85 -9.986 2.178 6.845 1.00 0.19 C ATOM 1400 O ALA A 85 -8.972 2.340 7.524 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.115 0.373 5.133 1.00 0.14 C ATOM 0 H ALA A 85 -12.476 0.503 5.860 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.075 0.077 7.245 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.030 0.402 5.038 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.469 -0.639 4.937 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.561 1.059 4.413 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.696 3.174 6.328 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.327 4.578 6.526 1.00 0.25 C ATOM 1409 C TYR A 86 -9.921 4.842 7.974 1.00 0.31 C ATOM 1410 O TYR A 86 -10.824 4.979 8.826 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.491 5.498 6.148 1.00 0.28 C ATOM 1412 CG TYR A 86 -11.750 5.591 4.661 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.008 4.454 3.914 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -11.743 6.817 4.009 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.252 4.529 2.558 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -11.986 6.904 2.650 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.241 5.756 1.929 1.00 0.34 C ATOM 1418 OH TYR A 86 -12.487 5.836 0.578 1.00 0.40 O ATOM 1419 OXT TYR A 86 -8.703 4.911 8.242 1.00 1.02 O ATOM 0 H TYR A 86 -11.536 3.038 5.765 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.475 4.789 5.879 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.396 5.142 6.641 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.290 6.497 6.534 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -12.018 3.491 4.402 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -11.545 7.717 4.572 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.451 3.631 1.992 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -11.976 7.865 2.157 1.00 0.44 H new ATOM 0 HH TYR A 86 -12.680 6.766 0.335 1.00 0.40 H new TER 1429 TYR A 86