USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 724 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 46 ASN : amide:sc= 0.0187 K(o=0.0074,f=-2.9) USER MOD Set 1.2: A 48 GLN : amide:sc= -0.0113 X(o=0.0074,f=-0.0016) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.67! C(o=-1.7!,f=-4.3!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.178 X(o=0.18,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -139:sc= 0.0292 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.991 USER MOD Single : A 24 SER OG : rot -91:sc= 0.0827 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= 0.0115 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 44:sc= 1.17 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 61 LYS NZ :NH3+ -158:sc= 0.936 (180deg=0.58) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 159:sc= -3.59! (180deg=-5.2!) USER MOD Single : A 71 TYR OH : rot 30:sc= -2.37! USER MOD Single : A 72 ASN : amide:sc= 0.819 K(o=0.82,f=-0.83) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -145:sc= -0.0496 (180deg=-0.146) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.24 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 169:sc= -2.57! (180deg=-2.77!) USER MOD Single : A 89 ASN : amide:sc= -0.745 K(o=-0.75,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 -11.857 -12.219 -6.331 1.00 0.00 N ATOM 19 CA ASP A 2 -12.924 -12.141 -5.347 1.00 0.00 C ATOM 20 C ASP A 2 -12.338 -11.717 -3.999 1.00 0.00 C ATOM 21 O ASP A 2 -11.284 -12.205 -3.594 1.00 0.00 O ATOM 22 CB ASP A 2 -13.603 -13.500 -5.160 1.00 0.00 C ATOM 23 CG ASP A 2 -13.229 -14.557 -6.201 1.00 0.00 C ATOM 24 OD1 ASP A 2 -12.306 -15.358 -5.994 1.00 0.00 O ATOM 25 OD2 ASP A 2 -13.940 -14.539 -7.277 1.00 0.00 O ATOM 0 HA ASP A 2 -13.658 -11.417 -5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.352 -13.882 -4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.683 -13.356 -5.182 1.00 0.00 H new ATOM 31 N ILE A 3 -13.046 -10.810 -3.341 1.00 0.00 N ATOM 32 CA ILE A 3 -12.609 -10.314 -2.047 1.00 0.00 C ATOM 33 C ILE A 3 -13.751 -10.457 -1.039 1.00 0.00 C ATOM 34 O ILE A 3 -14.921 -10.347 -1.402 1.00 0.00 O ATOM 35 CB ILE A 3 -12.074 -8.886 -2.173 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.573 -8.887 -2.469 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.413 -8.062 -0.929 1.00 0.00 C ATOM 38 CD1 ILE A 3 -10.108 -7.511 -2.946 1.00 0.00 C ATOM 0 H ILE A 3 -13.919 -10.406 -3.680 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.776 -10.909 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.568 -8.409 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.022 -9.170 -1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.349 -9.635 -3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.021 -7.051 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.495 -8.020 -0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.964 -8.527 -0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.038 -7.539 -3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.643 -7.241 -3.856 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.311 -6.770 -2.173 1.00 0.00 H new ATOM 50 N SER A 4 -13.372 -10.698 0.208 1.00 0.00 N ATOM 51 CA SER A 4 -14.350 -10.856 1.271 1.00 0.00 C ATOM 52 C SER A 4 -13.977 -9.969 2.460 1.00 0.00 C ATOM 53 O SER A 4 -12.855 -10.034 2.960 1.00 0.00 O ATOM 54 CB SER A 4 -14.454 -12.317 1.710 1.00 0.00 C ATOM 55 OG SER A 4 -15.808 -12.755 1.793 1.00 0.00 O ATOM 0 H SER A 4 -12.401 -10.788 0.506 1.00 0.00 H new ATOM 0 HA SER A 4 -15.324 -10.550 0.889 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.912 -12.947 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.973 -12.439 2.681 1.00 0.00 H new ATOM 0 HG SER A 4 -15.832 -13.693 2.075 1.00 0.00 H new ATOM 61 N ILE A 5 -14.939 -9.161 2.880 1.00 0.00 N ATOM 62 CA ILE A 5 -14.727 -8.263 4.002 1.00 0.00 C ATOM 63 C ILE A 5 -14.906 -9.035 5.310 1.00 0.00 C ATOM 64 O ILE A 5 -15.834 -9.833 5.442 1.00 0.00 O ATOM 65 CB ILE A 5 -15.632 -7.034 3.884 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.455 -6.352 2.526 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.398 -6.068 5.046 1.00 0.00 C ATOM 68 CD1 ILE A 5 -14.058 -5.741 2.397 1.00 0.00 C ATOM 0 H ILE A 5 -15.868 -9.110 2.463 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.706 -7.880 3.995 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.669 -7.365 3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.614 -7.077 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.209 -5.574 2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -16.053 -5.204 4.938 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.615 -6.572 5.988 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.359 -5.738 5.042 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.959 -5.263 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.911 -4.999 3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.307 -6.525 2.494 1.00 0.00 H new ATOM 80 N ILE A 6 -14.005 -8.772 6.244 1.00 0.00 N ATOM 81 CA ILE A 6 -14.052 -9.433 7.538 1.00 0.00 C ATOM 82 C ILE A 6 -14.765 -8.527 8.543 1.00 0.00 C ATOM 83 O ILE A 6 -15.808 -8.892 9.082 1.00 0.00 O ATOM 84 CB ILE A 6 -12.648 -9.853 7.976 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.932 -10.620 6.863 1.00 0.00 C ATOM 86 CG2 ILE A 6 -12.696 -10.650 9.281 1.00 0.00 C ATOM 87 CD1 ILE A 6 -12.371 -12.085 6.835 1.00 0.00 C ATOM 0 H ILE A 6 -13.237 -8.110 6.131 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.630 -10.355 7.474 1.00 0.00 H new ATOM 0 HB ILE A 6 -12.068 -8.951 8.170 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.145 -10.155 5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.854 -10.563 7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.685 -10.936 9.570 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -13.138 -10.036 10.066 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -13.300 -11.546 9.138 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.847 -12.607 6.034 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.134 -12.554 7.790 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.446 -12.140 6.661 1.00 0.00 H new ATOM 99 N SER A 7 -14.174 -7.362 8.764 1.00 0.00 N ATOM 100 CA SER A 7 -14.739 -6.400 9.696 1.00 0.00 C ATOM 101 C SER A 7 -14.488 -4.976 9.194 1.00 0.00 C ATOM 102 O SER A 7 -13.713 -4.771 8.261 1.00 0.00 O ATOM 103 CB SER A 7 -14.153 -6.581 11.096 1.00 0.00 C ATOM 104 OG SER A 7 -12.742 -6.777 11.064 1.00 0.00 O ATOM 0 H SER A 7 -13.309 -7.062 8.314 1.00 0.00 H new ATOM 0 HA SER A 7 -15.814 -6.572 9.757 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.383 -5.704 11.701 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.627 -7.435 11.579 1.00 0.00 H new ATOM 0 HG SER A 7 -12.406 -6.887 11.978 1.00 0.00 H new ATOM 110 N ASP A 8 -15.157 -4.031 9.836 1.00 0.00 N ATOM 111 CA ASP A 8 -15.017 -2.632 9.467 1.00 0.00 C ATOM 112 C ASP A 8 -14.844 -1.791 10.733 1.00 0.00 C ATOM 113 O ASP A 8 -15.790 -1.616 11.500 1.00 0.00 O ATOM 114 CB ASP A 8 -16.260 -2.130 8.731 1.00 0.00 C ATOM 115 CG ASP A 8 -17.544 -2.117 9.562 1.00 0.00 C ATOM 116 OD1 ASP A 8 -17.974 -3.154 10.087 1.00 0.00 O ATOM 117 OD2 ASP A 8 -18.117 -0.966 9.663 1.00 0.00 O ATOM 0 H ASP A 8 -15.798 -4.206 10.610 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.150 -2.540 8.813 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.067 -1.119 8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.420 -2.755 7.852 1.00 0.00 H new ATOM 123 N ARG A 9 -13.631 -1.291 10.914 1.00 0.00 N ATOM 124 CA ARG A 9 -13.322 -0.472 12.073 1.00 0.00 C ATOM 125 C ARG A 9 -13.198 0.998 11.666 1.00 0.00 C ATOM 126 O ARG A 9 -12.956 1.305 10.500 1.00 0.00 O ATOM 127 CB ARG A 9 -12.018 -0.923 12.735 1.00 0.00 C ATOM 128 CG ARG A 9 -12.291 -1.935 13.850 1.00 0.00 C ATOM 129 CD ARG A 9 -11.807 -1.405 15.201 1.00 0.00 C ATOM 130 NE ARG A 9 -11.122 -2.482 15.950 1.00 0.00 N ATOM 131 CZ ARG A 9 -10.695 -2.363 17.225 1.00 0.00 C ATOM 132 NH1 ARG A 9 -10.879 -1.212 17.906 1.00 0.00 N ATOM 133 NH2 ARG A 9 -10.094 -3.390 17.797 1.00 0.00 N ATOM 0 H ARG A 9 -12.849 -1.438 10.276 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.137 -0.587 12.787 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.361 -1.368 11.987 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.495 -0.058 13.144 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.359 -2.147 13.900 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.789 -2.876 13.623 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.127 -0.566 15.050 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.652 -1.030 15.778 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.963 -3.369 15.473 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.344 -0.423 17.457 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.553 -1.132 18.869 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.958 -4.256 17.276 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.765 -3.317 18.760 1.00 0.00 H new ATOM 146 N ASN A 10 -13.369 1.867 12.651 1.00 0.00 N ATOM 147 CA ASN A 10 -13.280 3.298 12.410 1.00 0.00 C ATOM 148 C ASN A 10 -12.284 3.915 13.395 1.00 0.00 C ATOM 149 O ASN A 10 -12.224 3.513 14.556 1.00 0.00 O ATOM 150 CB ASN A 10 -14.634 3.978 12.619 1.00 0.00 C ATOM 151 CG ASN A 10 -14.468 5.489 12.795 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.625 6.122 12.182 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.317 6.028 13.665 1.00 0.00 N ATOM 0 H ASN A 10 -13.569 1.609 13.617 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.958 3.447 11.379 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.282 3.777 11.766 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.124 3.558 13.497 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.287 7.030 13.853 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.999 5.439 14.144 1.00 0.00 H new ATOM 160 N ASN A 11 -11.527 4.880 12.895 1.00 0.00 N ATOM 161 CA ASN A 11 -10.538 5.557 13.716 1.00 0.00 C ATOM 162 C ASN A 11 -10.619 7.064 13.467 1.00 0.00 C ATOM 163 O ASN A 11 -9.961 7.585 12.568 1.00 0.00 O ATOM 164 CB ASN A 11 -9.123 5.095 13.364 1.00 0.00 C ATOM 165 CG ASN A 11 -8.893 3.646 13.800 1.00 0.00 C ATOM 166 OD1 ASN A 11 -8.394 3.367 14.877 1.00 0.00 O ATOM 167 ND2 ASN A 11 -9.285 2.744 12.905 1.00 0.00 N ATOM 0 H ASN A 11 -11.579 5.209 11.931 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.746 5.320 14.759 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.965 5.184 12.289 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.394 5.744 13.849 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.175 1.749 13.102 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.696 3.047 12.022 1.00 0.00 H new ATOM 174 N PRO A 12 -11.453 7.740 14.301 1.00 0.00 N ATOM 175 CA PRO A 12 -11.630 9.177 14.181 1.00 0.00 C ATOM 176 C PRO A 12 -10.415 9.926 14.733 1.00 0.00 C ATOM 177 O PRO A 12 -10.051 10.986 14.224 1.00 0.00 O ATOM 178 CB PRO A 12 -12.910 9.482 14.941 1.00 0.00 C ATOM 179 CG PRO A 12 -13.153 8.285 15.846 1.00 0.00 C ATOM 180 CD PRO A 12 -12.249 7.156 15.378 1.00 0.00 C ATOM 0 HA PRO A 12 -11.711 9.505 13.145 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.810 10.398 15.523 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.745 9.630 14.256 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.938 8.541 16.884 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.199 7.980 15.803 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.615 6.795 16.188 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.830 6.304 15.024 1.00 0.00 H new ATOM 188 N LEU A 13 -9.821 9.347 15.766 1.00 0.00 N ATOM 189 CA LEU A 13 -8.654 9.947 16.391 1.00 0.00 C ATOM 190 C LEU A 13 -7.738 10.520 15.309 1.00 0.00 C ATOM 191 O LEU A 13 -7.735 11.726 15.068 1.00 0.00 O ATOM 192 CB LEU A 13 -7.963 8.939 17.312 1.00 0.00 C ATOM 193 CG LEU A 13 -8.765 8.486 18.533 1.00 0.00 C ATOM 194 CD1 LEU A 13 -9.399 7.114 18.295 1.00 0.00 C ATOM 195 CD2 LEU A 13 -7.901 8.507 19.795 1.00 0.00 C ATOM 0 H LEU A 13 -10.126 8.469 16.186 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.950 10.779 17.031 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.705 8.058 16.725 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.027 9.376 17.659 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.579 9.194 18.688 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.963 6.816 19.179 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.069 7.167 17.437 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.617 6.381 18.100 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.495 8.181 20.648 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.052 7.836 19.666 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.539 9.520 19.971 1.00 0.00 H new ATOM 207 N LEU A 14 -6.983 9.629 14.685 1.00 0.00 N ATOM 208 CA LEU A 14 -6.064 10.031 13.634 1.00 0.00 C ATOM 209 C LEU A 14 -6.848 10.278 12.344 1.00 0.00 C ATOM 210 O LEU A 14 -6.287 10.738 11.351 1.00 0.00 O ATOM 211 CB LEU A 14 -4.939 9.005 13.483 1.00 0.00 C ATOM 212 CG LEU A 14 -4.336 8.473 14.785 1.00 0.00 C ATOM 213 CD1 LEU A 14 -4.019 6.980 14.673 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.111 9.291 15.196 1.00 0.00 C ATOM 0 H LEU A 14 -6.989 8.629 14.887 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.575 10.969 13.895 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.320 8.159 12.910 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.140 9.455 12.893 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.077 8.585 15.576 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.592 6.627 15.612 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.935 6.428 14.461 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.304 6.819 13.866 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.702 8.892 16.124 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.356 9.234 14.412 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.401 10.331 15.345 1.00 0.00 H new ATOM 226 N GLN A 15 -8.134 9.961 12.400 1.00 0.00 N ATOM 227 CA GLN A 15 -9.000 10.143 11.250 1.00 0.00 C ATOM 228 C GLN A 15 -8.648 9.134 10.155 1.00 0.00 C ATOM 229 O GLN A 15 -8.482 9.506 8.994 1.00 0.00 O ATOM 230 CB GLN A 15 -8.918 11.578 10.721 1.00 0.00 C ATOM 231 CG GLN A 15 -10.236 12.322 10.947 1.00 0.00 C ATOM 232 CD GLN A 15 -9.986 13.712 11.535 1.00 0.00 C ATOM 233 OE1 GLN A 15 -10.194 14.731 10.897 1.00 0.00 O ATOM 234 NE2 GLN A 15 -9.529 13.697 12.784 1.00 0.00 N ATOM 0 H GLN A 15 -8.596 9.579 13.225 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.029 9.965 11.564 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.107 12.108 11.221 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.682 11.564 9.657 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.773 12.414 10.003 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.872 11.747 11.620 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.377 12.808 13.261 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.331 14.574 13.265 1.00 0.00 H new ATOM 243 N ARG A 16 -8.544 7.879 10.563 1.00 0.00 N ATOM 244 CA ARG A 16 -8.214 6.813 9.631 1.00 0.00 C ATOM 245 C ARG A 16 -9.304 5.740 9.645 1.00 0.00 C ATOM 246 O ARG A 16 -10.166 5.736 10.523 1.00 0.00 O ATOM 247 CB ARG A 16 -6.870 6.172 9.983 1.00 0.00 C ATOM 248 CG ARG A 16 -5.742 7.203 9.941 1.00 0.00 C ATOM 249 CD ARG A 16 -4.894 7.039 8.678 1.00 0.00 C ATOM 250 NE ARG A 16 -3.461 7.218 9.004 1.00 0.00 N ATOM 251 CZ ARG A 16 -2.824 8.408 8.989 1.00 0.00 C ATOM 252 NH1 ARG A 16 -3.489 9.537 8.664 1.00 0.00 N ATOM 253 NH2 ARG A 16 -1.541 8.450 9.297 1.00 0.00 N ATOM 0 H ARG A 16 -8.682 7.575 11.527 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.145 7.251 8.635 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.924 5.728 10.977 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.655 5.364 9.284 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.162 8.208 9.973 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.111 7.093 10.823 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.057 6.051 8.246 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.199 7.769 7.928 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.921 6.390 9.256 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.480 9.495 8.427 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.000 10.432 8.655 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.047 7.592 9.541 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.044 9.341 9.291 1.00 0.00 H new ATOM 266 N ARG A 17 -9.230 4.854 8.662 1.00 0.00 N ATOM 267 CA ARG A 17 -10.199 3.778 8.551 1.00 0.00 C ATOM 268 C ARG A 17 -9.496 2.464 8.204 1.00 0.00 C ATOM 269 O ARG A 17 -8.916 2.332 7.127 1.00 0.00 O ATOM 270 CB ARG A 17 -11.244 4.087 7.478 1.00 0.00 C ATOM 271 CG ARG A 17 -12.225 2.924 7.316 1.00 0.00 C ATOM 272 CD ARG A 17 -12.608 2.730 5.846 1.00 0.00 C ATOM 273 NE ARG A 17 -14.056 2.973 5.666 1.00 0.00 N ATOM 274 CZ ARG A 17 -14.610 4.199 5.554 1.00 0.00 C ATOM 275 NH1 ARG A 17 -13.840 5.306 5.606 1.00 0.00 N ATOM 276 NH2 ARG A 17 -15.917 4.300 5.395 1.00 0.00 N ATOM 0 H ARG A 17 -8.514 4.860 7.936 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.700 3.683 9.514 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.789 4.992 7.746 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.747 4.283 6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.777 2.009 7.703 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.121 3.114 7.907 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.035 3.413 5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.358 1.718 5.527 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.675 2.163 5.624 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.831 5.220 5.731 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.267 6.229 5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.493 3.459 5.358 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.351 5.219 5.309 1.00 0.00 H new ATOM 289 N GLU A 18 -9.570 1.525 9.136 1.00 0.00 N ATOM 290 CA GLU A 18 -8.948 0.227 8.943 1.00 0.00 C ATOM 291 C GLU A 18 -10.017 -0.855 8.778 1.00 0.00 C ATOM 292 O GLU A 18 -10.802 -1.101 9.692 1.00 0.00 O ATOM 293 CB GLU A 18 -8.004 -0.107 10.100 1.00 0.00 C ATOM 294 CG GLU A 18 -6.730 0.737 10.029 1.00 0.00 C ATOM 295 CD GLU A 18 -5.705 0.270 11.065 1.00 0.00 C ATOM 296 OE1 GLU A 18 -5.736 0.727 12.218 1.00 0.00 O ATOM 297 OE2 GLU A 18 -4.855 -0.601 10.637 1.00 0.00 O ATOM 0 H GLU A 18 -10.052 1.638 10.028 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.352 0.264 8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.510 0.070 11.049 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.746 -1.165 10.069 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.300 0.669 9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.974 1.785 10.200 1.00 0.00 H new ATOM 305 N ILE A 19 -10.013 -1.473 7.605 1.00 0.00 N ATOM 306 CA ILE A 19 -10.973 -2.522 7.309 1.00 0.00 C ATOM 307 C ILE A 19 -10.223 -3.791 6.897 1.00 0.00 C ATOM 308 O ILE A 19 -9.401 -3.762 5.983 1.00 0.00 O ATOM 309 CB ILE A 19 -11.987 -2.042 6.268 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.681 -0.759 6.730 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.989 -3.147 5.930 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.964 -0.513 5.934 1.00 0.00 C ATOM 0 H ILE A 19 -9.360 -1.267 6.849 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.555 -2.768 8.197 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.449 -1.804 5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.916 -0.830 7.792 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.006 0.088 6.609 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.698 -2.780 5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.457 -4.010 5.528 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.526 -3.440 6.832 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.438 0.405 6.282 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.723 -0.418 4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.647 -1.350 6.077 1.00 0.00 H new ATOM 324 N LYS A 20 -10.534 -4.875 7.593 1.00 0.00 N ATOM 325 CA LYS A 20 -9.900 -6.152 7.312 1.00 0.00 C ATOM 326 C LYS A 20 -10.730 -6.910 6.274 1.00 0.00 C ATOM 327 O LYS A 20 -11.955 -6.961 6.370 1.00 0.00 O ATOM 328 CB LYS A 20 -9.672 -6.934 8.607 1.00 0.00 C ATOM 329 CG LYS A 20 -9.393 -8.409 8.315 1.00 0.00 C ATOM 330 CD LYS A 20 -8.006 -8.593 7.697 1.00 0.00 C ATOM 331 CE LYS A 20 -6.920 -8.007 8.602 1.00 0.00 C ATOM 332 NZ LYS A 20 -5.810 -8.972 8.773 1.00 0.00 N ATOM 0 H LYS A 20 -11.217 -4.895 8.351 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.910 -6.000 6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.833 -6.503 9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.549 -6.846 9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.463 -8.986 9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.152 -8.799 7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.815 -9.654 7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.972 -8.109 6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.541 -7.080 8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.345 -7.756 9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.492 -8.963 9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.138 -9.927 8.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.019 -8.705 8.153 1.00 0.00 H new ATOM 345 N PHE A 21 -10.029 -7.482 5.306 1.00 0.00 N ATOM 346 CA PHE A 21 -10.685 -8.236 4.251 1.00 0.00 C ATOM 347 C PHE A 21 -9.777 -9.348 3.725 1.00 0.00 C ATOM 348 O PHE A 21 -8.653 -9.512 4.197 1.00 0.00 O ATOM 349 CB PHE A 21 -10.981 -7.253 3.116 1.00 0.00 C ATOM 350 CG PHE A 21 -9.774 -6.952 2.225 1.00 0.00 C ATOM 351 CD1 PHE A 21 -8.793 -6.119 2.667 1.00 0.00 C ATOM 352 CD2 PHE A 21 -9.681 -7.516 0.991 1.00 0.00 C ATOM 353 CE1 PHE A 21 -7.673 -5.840 1.840 1.00 0.00 C ATOM 354 CE2 PHE A 21 -8.561 -7.237 0.164 1.00 0.00 C ATOM 355 CZ PHE A 21 -7.581 -6.404 0.606 1.00 0.00 C ATOM 0 H PHE A 21 -9.013 -7.438 5.230 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.594 -8.699 4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.784 -7.657 2.499 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.346 -6.319 3.543 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.866 -5.670 3.647 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.460 -8.177 0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.894 -5.180 2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.487 -7.686 -0.815 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.730 -6.190 -0.023 1.00 0.00 H new ATOM 365 N THR A 22 -10.297 -10.083 2.752 1.00 0.00 N ATOM 366 CA THR A 22 -9.546 -11.174 2.156 1.00 0.00 C ATOM 367 C THR A 22 -9.659 -11.129 0.631 1.00 0.00 C ATOM 368 O THR A 22 -10.609 -10.563 0.092 1.00 0.00 O ATOM 369 CB THR A 22 -10.053 -12.484 2.765 1.00 0.00 C ATOM 370 OG1 THR A 22 -9.171 -12.724 3.858 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.834 -13.683 1.839 1.00 0.00 C ATOM 0 H THR A 22 -11.229 -9.944 2.362 1.00 0.00 H new ATOM 0 HA THR A 22 -8.482 -11.087 2.374 1.00 0.00 H new ATOM 0 HB THR A 22 -11.115 -12.391 2.994 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.429 -13.554 4.310 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.211 -14.587 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.366 -13.521 0.902 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.769 -13.797 1.637 1.00 0.00 H new ATOM 379 N VAL A 23 -8.676 -11.732 -0.021 1.00 0.00 N ATOM 380 CA VAL A 23 -8.653 -11.768 -1.473 1.00 0.00 C ATOM 381 C VAL A 23 -8.292 -13.180 -1.939 1.00 0.00 C ATOM 382 O VAL A 23 -7.295 -13.748 -1.497 1.00 0.00 O ATOM 383 CB VAL A 23 -7.697 -10.701 -2.008 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.314 -10.831 -1.365 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.599 -10.765 -3.534 1.00 0.00 C ATOM 0 H VAL A 23 -7.890 -12.200 0.430 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.639 -11.534 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.102 -9.725 -1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.654 -10.060 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.402 -10.711 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.900 -11.814 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.913 -9.995 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.230 -11.746 -3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.585 -10.600 -3.969 1.00 0.00 H new ATOM 395 N SER A 24 -9.125 -13.707 -2.825 1.00 0.00 N ATOM 396 CA SER A 24 -8.907 -15.042 -3.355 1.00 0.00 C ATOM 397 C SER A 24 -8.636 -14.970 -4.860 1.00 0.00 C ATOM 398 O SER A 24 -9.247 -14.169 -5.566 1.00 0.00 O ATOM 399 CB SER A 24 -10.106 -15.950 -3.075 1.00 0.00 C ATOM 400 OG SER A 24 -10.278 -16.936 -4.089 1.00 0.00 O ATOM 0 H SER A 24 -9.952 -13.233 -3.189 1.00 0.00 H new ATOM 0 HA SER A 24 -8.038 -15.470 -2.855 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.971 -16.441 -2.111 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.009 -15.345 -3.001 1.00 0.00 H new ATOM 0 HG SER A 24 -10.881 -16.592 -4.781 1.00 0.00 H new ATOM 406 N PHE A 25 -7.721 -15.818 -5.305 1.00 0.00 N ATOM 407 CA PHE A 25 -7.361 -15.859 -6.713 1.00 0.00 C ATOM 408 C PHE A 25 -6.351 -16.975 -6.988 1.00 0.00 C ATOM 409 O PHE A 25 -5.508 -17.276 -6.144 1.00 0.00 O ATOM 410 CB PHE A 25 -6.721 -14.512 -7.051 1.00 0.00 C ATOM 411 CG PHE A 25 -5.376 -14.271 -6.362 1.00 0.00 C ATOM 412 CD1 PHE A 25 -5.331 -14.055 -5.020 1.00 0.00 C ATOM 413 CD2 PHE A 25 -4.228 -14.273 -7.091 1.00 0.00 C ATOM 414 CE1 PHE A 25 -4.082 -13.832 -4.379 1.00 0.00 C ATOM 415 CE2 PHE A 25 -2.980 -14.050 -6.450 1.00 0.00 C ATOM 416 CZ PHE A 25 -2.934 -13.833 -5.108 1.00 0.00 C ATOM 0 H PHE A 25 -7.218 -16.482 -4.716 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.247 -16.051 -7.318 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.581 -14.448 -8.130 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.409 -13.714 -6.771 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.243 -14.053 -4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.265 -14.444 -8.157 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.045 -13.662 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.068 -14.053 -7.028 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.985 -13.661 -4.621 1.00 0.00 H new ATOM 426 N ASP A 26 -6.469 -17.558 -8.171 1.00 0.00 N ATOM 427 CA ASP A 26 -5.577 -18.633 -8.568 1.00 0.00 C ATOM 428 C ASP A 26 -4.955 -18.301 -9.927 1.00 0.00 C ATOM 429 O ASP A 26 -5.549 -18.572 -10.968 1.00 0.00 O ATOM 430 CB ASP A 26 -6.333 -19.956 -8.707 1.00 0.00 C ATOM 431 CG ASP A 26 -7.419 -20.192 -7.654 1.00 0.00 C ATOM 432 OD1 ASP A 26 -7.680 -19.332 -6.801 1.00 0.00 O ATOM 433 OD2 ASP A 26 -8.017 -21.333 -7.735 1.00 0.00 O ATOM 0 H ASP A 26 -7.170 -17.306 -8.868 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.811 -18.734 -7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.791 -19.994 -9.695 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.615 -20.775 -8.657 1.00 0.00 H new ATOM 439 N ALA A 27 -3.767 -17.716 -9.870 1.00 0.00 N ATOM 440 CA ALA A 27 -3.058 -17.343 -11.083 1.00 0.00 C ATOM 441 C ALA A 27 -1.705 -16.735 -10.711 1.00 0.00 C ATOM 442 O ALA A 27 -0.684 -17.420 -10.740 1.00 0.00 O ATOM 443 CB ALA A 27 -3.923 -16.384 -11.904 1.00 0.00 C ATOM 0 H ALA A 27 -3.278 -17.491 -9.004 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.866 -18.220 -11.701 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.392 -16.104 -12.814 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.860 -16.874 -12.167 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.133 -15.490 -11.317 1.00 0.00 H new ATOM 449 N ALA A 28 -1.741 -15.455 -10.369 1.00 0.00 N ATOM 450 CA ALA A 28 -0.530 -14.748 -9.992 1.00 0.00 C ATOM 451 C ALA A 28 -0.892 -13.578 -9.075 1.00 0.00 C ATOM 452 O ALA A 28 -2.019 -13.084 -9.109 1.00 0.00 O ATOM 453 CB ALA A 28 0.210 -14.294 -11.252 1.00 0.00 C ATOM 0 H ALA A 28 -2.590 -14.890 -10.345 1.00 0.00 H new ATOM 0 HA ALA A 28 0.141 -15.405 -9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.119 -13.763 -10.969 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.471 -15.164 -11.854 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.432 -13.631 -11.832 1.00 0.00 H new ATOM 459 N THR A 29 0.084 -13.166 -8.279 1.00 0.00 N ATOM 460 CA THR A 29 -0.119 -12.063 -7.355 1.00 0.00 C ATOM 461 C THR A 29 -0.032 -10.726 -8.094 1.00 0.00 C ATOM 462 O THR A 29 1.023 -10.367 -8.613 1.00 0.00 O ATOM 463 CB THR A 29 0.903 -12.200 -6.224 1.00 0.00 C ATOM 464 OG1 THR A 29 0.266 -13.061 -5.284 1.00 0.00 O ATOM 465 CG2 THR A 29 1.104 -10.892 -5.455 1.00 0.00 C ATOM 0 H THR A 29 1.018 -13.576 -8.255 1.00 0.00 H new ATOM 0 HA THR A 29 -1.117 -12.092 -6.917 1.00 0.00 H new ATOM 0 HB THR A 29 1.857 -12.530 -6.635 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.860 -13.205 -4.518 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.838 -11.044 -4.664 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.460 -10.120 -6.137 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.157 -10.579 -5.015 1.00 0.00 H new ATOM 473 N PRO A 30 -1.186 -10.006 -8.116 1.00 0.00 N ATOM 474 CA PRO A 30 -1.250 -8.716 -8.782 1.00 0.00 C ATOM 475 C PRO A 30 -0.551 -7.636 -7.954 1.00 0.00 C ATOM 476 O PRO A 30 0.242 -7.946 -7.065 1.00 0.00 O ATOM 477 CB PRO A 30 -2.733 -8.447 -8.978 1.00 0.00 C ATOM 478 CG PRO A 30 -3.455 -9.368 -8.006 1.00 0.00 C ATOM 479 CD PRO A 30 -2.455 -10.399 -7.510 1.00 0.00 C ATOM 0 HA PRO A 30 -0.728 -8.711 -9.739 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.971 -7.403 -8.776 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.034 -8.650 -10.006 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.862 -8.798 -7.171 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.296 -9.857 -8.497 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.391 -10.397 -6.422 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.742 -11.406 -7.811 1.00 0.00 H new ATOM 487 N SER A 31 -0.870 -6.391 -8.274 1.00 0.00 N ATOM 488 CA SER A 31 -0.284 -5.262 -7.571 1.00 0.00 C ATOM 489 C SER A 31 -1.316 -4.637 -6.631 1.00 0.00 C ATOM 490 O SER A 31 -2.483 -5.026 -6.637 1.00 0.00 O ATOM 491 CB SER A 31 0.244 -4.216 -8.554 1.00 0.00 C ATOM 492 OG SER A 31 0.652 -4.798 -9.788 1.00 0.00 O ATOM 0 H SER A 31 -1.528 -6.139 -9.012 1.00 0.00 H new ATOM 0 HA SER A 31 0.559 -5.625 -6.982 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.531 -3.473 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.087 -3.690 -8.105 1.00 0.00 H new ATOM 0 HG SER A 31 0.981 -4.096 -10.388 1.00 0.00 H new ATOM 498 N ILE A 32 -0.849 -3.677 -5.846 1.00 0.00 N ATOM 499 CA ILE A 32 -1.717 -2.993 -4.902 1.00 0.00 C ATOM 500 C ILE A 32 -2.676 -2.080 -5.668 1.00 0.00 C ATOM 501 O ILE A 32 -3.892 -2.182 -5.514 1.00 0.00 O ATOM 502 CB ILE A 32 -0.889 -2.266 -3.842 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.347 -3.081 -3.457 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.745 -1.912 -2.624 1.00 0.00 C ATOM 505 CD1 ILE A 32 0.916 -2.612 -2.116 1.00 0.00 C ATOM 0 H ILE A 32 0.119 -3.357 -5.844 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.328 -3.712 -4.356 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.535 -1.328 -4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.086 -4.138 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.107 -2.985 -4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.131 -1.396 -1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.565 -1.263 -2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.149 -2.825 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.794 -3.207 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.198 -1.562 -2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.162 -2.733 -1.339 1.00 0.00 H new ATOM 517 N LYS A 33 -2.092 -1.208 -6.477 1.00 0.00 N ATOM 518 CA LYS A 33 -2.880 -0.277 -7.268 1.00 0.00 C ATOM 519 C LYS A 33 -3.919 -1.055 -8.078 1.00 0.00 C ATOM 520 O LYS A 33 -5.002 -0.543 -8.360 1.00 0.00 O ATOM 521 CB LYS A 33 -1.968 0.605 -8.122 1.00 0.00 C ATOM 522 CG LYS A 33 -2.784 1.620 -8.926 1.00 0.00 C ATOM 523 CD LYS A 33 -3.249 1.020 -10.254 1.00 0.00 C ATOM 524 CE LYS A 33 -2.306 1.412 -11.394 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.980 2.339 -12.329 1.00 0.00 N ATOM 0 H LYS A 33 -1.083 -1.126 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.428 0.406 -6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.259 1.129 -7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.385 -0.018 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.649 1.939 -8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.181 2.508 -9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.293 -0.066 -10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.259 1.363 -10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.411 1.883 -10.988 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.982 0.519 -11.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.326 2.595 -13.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.821 1.877 -12.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.268 3.198 -11.819 1.00 0.00 H new ATOM 538 N ASP A 34 -3.553 -2.278 -8.431 1.00 0.00 N ATOM 539 CA ASP A 34 -4.439 -3.131 -9.204 1.00 0.00 C ATOM 540 C ASP A 34 -5.479 -3.755 -8.272 1.00 0.00 C ATOM 541 O ASP A 34 -6.603 -4.036 -8.689 1.00 0.00 O ATOM 542 CB ASP A 34 -3.664 -4.267 -9.875 1.00 0.00 C ATOM 543 CG ASP A 34 -3.443 -4.097 -11.379 1.00 0.00 C ATOM 544 OD1 ASP A 34 -3.228 -2.980 -11.871 1.00 0.00 O ATOM 545 OD2 ASP A 34 -3.499 -5.189 -12.064 1.00 0.00 O ATOM 0 H ASP A 34 -2.654 -2.699 -8.196 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.914 -2.518 -9.970 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.693 -4.362 -9.389 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.198 -5.202 -9.705 1.00 0.00 H new ATOM 551 N VAL A 35 -5.070 -3.954 -7.028 1.00 0.00 N ATOM 552 CA VAL A 35 -5.952 -4.541 -6.033 1.00 0.00 C ATOM 553 C VAL A 35 -6.912 -3.468 -5.515 1.00 0.00 C ATOM 554 O VAL A 35 -8.117 -3.698 -5.428 1.00 0.00 O ATOM 555 CB VAL A 35 -5.128 -5.193 -4.922 1.00 0.00 C ATOM 556 CG1 VAL A 35 -5.922 -5.256 -3.615 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.649 -6.585 -5.340 1.00 0.00 C ATOM 0 H VAL A 35 -4.138 -3.719 -6.686 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.556 -5.332 -6.477 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.248 -4.573 -4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.313 -5.724 -2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.191 -4.247 -3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.828 -5.842 -3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.065 -7.027 -4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.511 -7.218 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.029 -6.504 -6.233 1.00 0.00 H new ATOM 567 N LYS A 36 -6.342 -2.318 -5.183 1.00 0.00 N ATOM 568 CA LYS A 36 -7.132 -1.210 -4.676 1.00 0.00 C ATOM 569 C LYS A 36 -8.315 -0.961 -5.614 1.00 0.00 C ATOM 570 O LYS A 36 -9.360 -0.474 -5.185 1.00 0.00 O ATOM 571 CB LYS A 36 -6.250 0.021 -4.458 1.00 0.00 C ATOM 572 CG LYS A 36 -6.424 1.029 -5.596 1.00 0.00 C ATOM 573 CD LYS A 36 -5.188 1.921 -5.732 1.00 0.00 C ATOM 574 CE LYS A 36 -5.472 3.333 -5.215 1.00 0.00 C ATOM 575 NZ LYS A 36 -4.662 4.327 -5.955 1.00 0.00 N ATOM 0 H LYS A 36 -5.342 -2.131 -5.256 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.547 -1.454 -3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.505 0.492 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.205 -0.283 -4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.599 0.499 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.303 1.646 -5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.358 1.486 -5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.881 1.967 -6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.532 3.562 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.245 3.390 -4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.059 5.277 -5.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.682 4.304 -5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.675 4.099 -6.970 1.00 0.00 H new ATOM 588 N MET A 37 -8.110 -1.305 -6.876 1.00 0.00 N ATOM 589 CA MET A 37 -9.147 -1.126 -7.879 1.00 0.00 C ATOM 590 C MET A 37 -10.463 -1.762 -7.428 1.00 0.00 C ATOM 591 O MET A 37 -11.487 -1.087 -7.345 1.00 0.00 O ATOM 592 CB MET A 37 -8.698 -1.759 -9.198 1.00 0.00 C ATOM 593 CG MET A 37 -7.604 -0.923 -9.863 1.00 0.00 C ATOM 594 SD MET A 37 -8.068 -0.533 -11.542 1.00 0.00 S ATOM 595 CE MET A 37 -6.696 -1.262 -12.420 1.00 0.00 C ATOM 0 H MET A 37 -7.241 -1.707 -7.228 1.00 0.00 H new ATOM 0 HA MET A 37 -9.311 -0.057 -8.017 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.328 -2.768 -9.014 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.551 -1.850 -9.871 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.444 -0.004 -9.299 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.661 -1.470 -9.855 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.827 -1.109 -13.491 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.767 -0.793 -12.097 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.655 -2.331 -12.209 1.00 0.00 H new ATOM 605 N LYS A 38 -10.391 -3.056 -7.148 1.00 0.00 N ATOM 606 CA LYS A 38 -11.565 -3.792 -6.707 1.00 0.00 C ATOM 607 C LYS A 38 -11.974 -3.304 -5.316 1.00 0.00 C ATOM 608 O LYS A 38 -13.140 -2.986 -5.085 1.00 0.00 O ATOM 609 CB LYS A 38 -11.310 -5.298 -6.779 1.00 0.00 C ATOM 610 CG LYS A 38 -10.403 -5.645 -7.962 1.00 0.00 C ATOM 611 CD LYS A 38 -8.978 -5.943 -7.493 1.00 0.00 C ATOM 612 CE LYS A 38 -8.551 -7.355 -7.896 1.00 0.00 C ATOM 613 NZ LYS A 38 -8.261 -7.413 -9.346 1.00 0.00 N ATOM 0 H LYS A 38 -9.539 -3.613 -7.218 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.407 -3.602 -7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.849 -5.637 -5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.258 -5.827 -6.876 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.804 -6.510 -8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.391 -4.817 -8.670 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.290 -5.215 -7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.918 -5.837 -6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.667 -7.650 -7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.340 -8.065 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.972 -8.378 -9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.114 -7.152 -9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.493 -6.750 -9.573 1.00 0.00 H new ATOM 626 N LEU A 39 -10.994 -3.259 -4.427 1.00 0.00 N ATOM 627 CA LEU A 39 -11.238 -2.816 -3.065 1.00 0.00 C ATOM 628 C LEU A 39 -11.962 -1.468 -3.094 1.00 0.00 C ATOM 629 O LEU A 39 -12.816 -1.199 -2.251 1.00 0.00 O ATOM 630 CB LEU A 39 -9.934 -2.796 -2.265 1.00 0.00 C ATOM 631 CG LEU A 39 -9.505 -4.128 -1.648 1.00 0.00 C ATOM 632 CD1 LEU A 39 -8.064 -4.057 -1.137 1.00 0.00 C ATOM 633 CD2 LEU A 39 -10.481 -4.565 -0.554 1.00 0.00 C ATOM 0 H LEU A 39 -10.028 -3.522 -4.623 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.891 -3.519 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.135 -2.447 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.033 -2.063 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.533 -4.890 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.784 -5.017 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.395 -3.824 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.985 -3.279 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.153 -5.515 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.510 -3.809 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.477 -4.683 -0.981 1.00 0.00 H new ATOM 645 N VAL A 40 -11.594 -0.656 -4.074 1.00 0.00 N ATOM 646 CA VAL A 40 -12.197 0.657 -4.225 1.00 0.00 C ATOM 647 C VAL A 40 -13.701 0.498 -4.458 1.00 0.00 C ATOM 648 O VAL A 40 -14.505 1.214 -3.862 1.00 0.00 O ATOM 649 CB VAL A 40 -11.497 1.430 -5.345 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.435 2.467 -5.965 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.212 2.086 -4.837 1.00 0.00 C ATOM 0 H VAL A 40 -10.885 -0.882 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.068 1.243 -3.315 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.224 0.718 -6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.913 3.002 -6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.309 1.965 -6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.753 3.174 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.734 2.629 -5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.452 2.779 -4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.534 1.318 -4.466 1.00 0.00 H new ATOM 661 N ALA A 41 -14.037 -0.443 -5.327 1.00 0.00 N ATOM 662 CA ALA A 41 -15.430 -0.705 -5.647 1.00 0.00 C ATOM 663 C ALA A 41 -16.088 -1.438 -4.476 1.00 0.00 C ATOM 664 O ALA A 41 -17.282 -1.272 -4.227 1.00 0.00 O ATOM 665 CB ALA A 41 -15.515 -1.497 -6.953 1.00 0.00 C ATOM 0 H ALA A 41 -13.368 -1.034 -5.820 1.00 0.00 H new ATOM 0 HA ALA A 41 -15.971 0.229 -5.798 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.560 -1.693 -7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.060 -0.920 -7.759 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.985 -2.443 -6.840 1.00 0.00 H new ATOM 671 N VAL A 42 -15.282 -2.233 -3.788 1.00 0.00 N ATOM 672 CA VAL A 42 -15.771 -2.992 -2.650 1.00 0.00 C ATOM 673 C VAL A 42 -16.097 -2.032 -1.505 1.00 0.00 C ATOM 674 O VAL A 42 -17.201 -2.059 -0.962 1.00 0.00 O ATOM 675 CB VAL A 42 -14.752 -4.065 -2.259 1.00 0.00 C ATOM 676 CG1 VAL A 42 -15.226 -4.851 -1.036 1.00 0.00 C ATOM 677 CG2 VAL A 42 -14.465 -5.001 -3.435 1.00 0.00 C ATOM 0 H VAL A 42 -14.293 -2.368 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.692 -3.516 -2.907 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.821 -3.563 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.484 -5.607 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.357 -4.171 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.176 -5.337 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.738 -5.754 -3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.388 -5.491 -3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.064 -4.425 -4.269 1.00 0.00 H new ATOM 687 N LEU A 43 -15.116 -1.206 -1.170 1.00 0.00 N ATOM 688 CA LEU A 43 -15.285 -0.239 -0.098 1.00 0.00 C ATOM 689 C LEU A 43 -16.165 0.912 -0.590 1.00 0.00 C ATOM 690 O LEU A 43 -16.952 1.467 0.175 1.00 0.00 O ATOM 691 CB LEU A 43 -13.923 0.212 0.435 1.00 0.00 C ATOM 692 CG LEU A 43 -12.993 -0.900 0.923 1.00 0.00 C ATOM 693 CD1 LEU A 43 -11.805 -0.321 1.696 1.00 0.00 C ATOM 694 CD2 LEU A 43 -13.761 -1.937 1.745 1.00 0.00 C ATOM 0 H LEU A 43 -14.202 -1.186 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.799 -0.694 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.412 0.766 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.089 0.907 1.258 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.590 -1.415 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.159 -1.132 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.240 0.348 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.169 0.234 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.076 -2.716 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.211 -1.453 2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.544 -2.381 1.130 1.00 0.00 H new ATOM 706 N ASN A 44 -16.001 1.237 -1.865 1.00 0.00 N ATOM 707 CA ASN A 44 -16.771 2.312 -2.467 1.00 0.00 C ATOM 708 C ASN A 44 -16.365 3.643 -1.831 1.00 0.00 C ATOM 709 O ASN A 44 -17.220 4.412 -1.395 1.00 0.00 O ATOM 710 CB ASN A 44 -18.271 2.114 -2.234 1.00 0.00 C ATOM 711 CG ASN A 44 -19.088 2.724 -3.375 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.559 3.226 -4.352 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.404 2.651 -3.195 1.00 0.00 N ATOM 0 H ASN A 44 -15.347 0.775 -2.497 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.570 2.311 -3.538 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.493 1.050 -2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.560 2.574 -1.289 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -21.037 3.029 -3.900 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.780 2.217 -2.352 1.00 0.00 H new ATOM 720 N ALA A 45 -15.061 3.874 -1.797 1.00 0.00 N ATOM 721 CA ALA A 45 -14.532 5.097 -1.221 1.00 0.00 C ATOM 722 C ALA A 45 -13.556 5.741 -2.210 1.00 0.00 C ATOM 723 O ALA A 45 -13.399 5.263 -3.332 1.00 0.00 O ATOM 724 CB ALA A 45 -13.877 4.787 0.126 1.00 0.00 C ATOM 0 H ALA A 45 -14.355 3.234 -2.160 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.334 5.812 -1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.480 5.706 0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.618 4.360 0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.065 4.074 -0.020 1.00 0.00 H new ATOM 730 N ASN A 46 -12.925 6.814 -1.755 1.00 0.00 N ATOM 731 CA ASN A 46 -11.970 7.527 -2.585 1.00 0.00 C ATOM 732 C ASN A 46 -10.774 6.617 -2.875 1.00 0.00 C ATOM 733 O ASN A 46 -10.149 6.096 -1.953 1.00 0.00 O ATOM 734 CB ASN A 46 -11.451 8.779 -1.875 1.00 0.00 C ATOM 735 CG ASN A 46 -11.011 9.840 -2.886 1.00 0.00 C ATOM 736 OD1 ASN A 46 -10.914 9.597 -4.078 1.00 0.00 O ATOM 737 ND2 ASN A 46 -10.751 11.027 -2.345 1.00 0.00 N ATOM 0 H ASN A 46 -13.057 7.206 -0.823 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.474 7.818 -3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.231 9.186 -1.231 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.612 8.515 -1.231 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.450 11.802 -2.936 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.853 11.162 -1.339 1.00 0.00 H new ATOM 744 N LYS A 47 -10.492 6.455 -4.160 1.00 0.00 N ATOM 745 CA LYS A 47 -9.383 5.618 -4.582 1.00 0.00 C ATOM 746 C LYS A 47 -8.096 6.445 -4.581 1.00 0.00 C ATOM 747 O LYS A 47 -6.999 5.893 -4.652 1.00 0.00 O ATOM 748 CB LYS A 47 -9.690 4.960 -5.929 1.00 0.00 C ATOM 749 CG LYS A 47 -9.923 6.015 -7.013 1.00 0.00 C ATOM 750 CD LYS A 47 -9.715 5.422 -8.408 1.00 0.00 C ATOM 751 CE LYS A 47 -8.588 6.144 -9.149 1.00 0.00 C ATOM 752 NZ LYS A 47 -8.857 6.171 -10.604 1.00 0.00 N ATOM 0 H LYS A 47 -11.013 6.889 -4.922 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.236 4.798 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.863 4.312 -6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.573 4.327 -5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.935 6.410 -6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.241 6.852 -6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.479 4.361 -8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.639 5.499 -8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.491 7.162 -8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.639 5.642 -8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.082 6.665 -11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.926 5.197 -10.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.752 6.670 -10.782 1.00 0.00 H new ATOM 765 N GLN A 48 -8.273 7.756 -4.501 1.00 0.00 N ATOM 766 CA GLN A 48 -7.139 8.665 -4.490 1.00 0.00 C ATOM 767 C GLN A 48 -6.379 8.550 -3.167 1.00 0.00 C ATOM 768 O GLN A 48 -5.152 8.466 -3.158 1.00 0.00 O ATOM 769 CB GLN A 48 -7.589 10.105 -4.740 1.00 0.00 C ATOM 770 CG GLN A 48 -8.338 10.224 -6.068 1.00 0.00 C ATOM 771 CD GLN A 48 -8.699 11.680 -6.368 1.00 0.00 C ATOM 772 OE1 GLN A 48 -9.419 12.332 -5.631 1.00 0.00 O ATOM 773 NE2 GLN A 48 -8.157 12.152 -7.487 1.00 0.00 N ATOM 0 H GLN A 48 -9.184 8.210 -4.443 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.465 8.384 -5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.233 10.435 -3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.721 10.765 -4.748 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.722 9.825 -6.874 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.245 9.621 -6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.563 11.552 -8.059 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.335 13.115 -7.774 1.00 0.00 H new ATOM 782 N VAL A 49 -7.140 8.548 -2.082 1.00 0.00 N ATOM 783 CA VAL A 49 -6.553 8.444 -0.757 1.00 0.00 C ATOM 784 C VAL A 49 -6.888 7.074 -0.162 1.00 0.00 C ATOM 785 O VAL A 49 -7.393 6.985 0.955 1.00 0.00 O ATOM 786 CB VAL A 49 -7.027 9.607 0.117 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.484 10.939 -0.402 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.554 9.636 0.211 1.00 0.00 C ATOM 0 H VAL A 49 -8.158 8.617 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.467 8.518 -0.813 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.633 9.453 1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.836 11.749 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.394 10.916 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.834 11.102 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.864 10.472 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.978 9.754 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.909 8.703 0.649 1.00 0.00 H new ATOM 798 N LEU A 50 -6.591 6.041 -0.936 1.00 0.00 N ATOM 799 CA LEU A 50 -6.853 4.679 -0.500 1.00 0.00 C ATOM 800 C LEU A 50 -5.649 3.799 -0.838 1.00 0.00 C ATOM 801 O LEU A 50 -5.110 3.876 -1.940 1.00 0.00 O ATOM 802 CB LEU A 50 -8.170 4.172 -1.089 1.00 0.00 C ATOM 803 CG LEU A 50 -8.461 2.681 -0.901 1.00 0.00 C ATOM 804 CD1 LEU A 50 -9.952 2.438 -0.665 1.00 0.00 C ATOM 805 CD2 LEU A 50 -7.926 1.866 -2.080 1.00 0.00 C ATOM 0 H LEU A 50 -6.171 6.119 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.980 4.643 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.987 4.740 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.175 4.391 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.936 2.340 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.131 1.371 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.270 2.971 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.520 2.799 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.146 0.810 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.403 2.202 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.848 2.005 -2.159 1.00 0.00 H new ATOM 817 N VAL A 51 -5.263 2.981 0.131 1.00 0.00 N ATOM 818 CA VAL A 51 -4.133 2.087 -0.050 1.00 0.00 C ATOM 819 C VAL A 51 -4.292 0.877 0.872 1.00 0.00 C ATOM 820 O VAL A 51 -5.100 0.900 1.799 1.00 0.00 O ATOM 821 CB VAL A 51 -2.823 2.846 0.179 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.727 2.344 -0.763 1.00 0.00 C ATOM 823 CG2 VAL A 51 -3.029 4.354 0.026 1.00 0.00 C ATOM 0 H VAL A 51 -5.714 2.919 1.044 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.102 1.713 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.499 2.654 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.807 2.899 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.552 1.283 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.040 2.491 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.083 4.869 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.388 4.572 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.763 4.697 0.755 1.00 0.00 H new ATOM 833 N VAL A 52 -3.506 -0.152 0.587 1.00 0.00 N ATOM 834 CA VAL A 52 -3.550 -1.368 1.379 1.00 0.00 C ATOM 835 C VAL A 52 -2.394 -1.362 2.380 1.00 0.00 C ATOM 836 O VAL A 52 -1.305 -0.879 2.073 1.00 0.00 O ATOM 837 CB VAL A 52 -3.540 -2.592 0.460 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.128 -3.165 0.328 1.00 0.00 C ATOM 839 CG2 VAL A 52 -4.521 -3.658 0.954 1.00 0.00 C ATOM 0 H VAL A 52 -2.836 -0.167 -0.182 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.476 -1.417 1.953 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.866 -2.271 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.148 -4.034 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.466 -2.408 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.763 -3.463 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.494 -4.516 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.240 -3.974 1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.529 -3.244 0.973 1.00 0.00 H new ATOM 849 N ASP A 53 -2.668 -1.906 3.557 1.00 0.00 N ATOM 850 CA ASP A 53 -1.664 -1.968 4.604 1.00 0.00 C ATOM 851 C ASP A 53 -0.660 -3.076 4.277 1.00 0.00 C ATOM 852 O ASP A 53 0.547 -2.840 4.267 1.00 0.00 O ATOM 853 CB ASP A 53 -2.299 -2.292 5.959 1.00 0.00 C ATOM 854 CG ASP A 53 -2.300 -1.139 6.965 1.00 0.00 C ATOM 855 OD1 ASP A 53 -1.471 -0.220 6.884 1.00 0.00 O ATOM 856 OD2 ASP A 53 -3.212 -1.209 7.874 1.00 0.00 O ATOM 0 H ASP A 53 -3.571 -2.308 3.808 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.174 -0.996 4.658 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.328 -2.611 5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.770 -3.137 6.399 1.00 0.00 H new ATOM 862 N THR A 54 -1.196 -4.258 4.017 1.00 0.00 N ATOM 863 CA THR A 54 -0.363 -5.403 3.690 1.00 0.00 C ATOM 864 C THR A 54 -1.231 -6.624 3.380 1.00 0.00 C ATOM 865 O THR A 54 -2.301 -6.793 3.963 1.00 0.00 O ATOM 866 CB THR A 54 0.609 -5.627 4.850 1.00 0.00 C ATOM 867 OG1 THR A 54 1.806 -4.975 4.431 1.00 0.00 O ATOM 868 CG2 THR A 54 1.017 -7.094 4.999 1.00 0.00 C ATOM 0 H THR A 54 -2.198 -4.449 4.026 1.00 0.00 H new ATOM 0 HA THR A 54 0.221 -5.222 2.788 1.00 0.00 H new ATOM 0 HB THR A 54 0.152 -5.282 5.777 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.585 -4.103 4.043 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.707 -7.196 5.836 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.131 -7.701 5.183 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.504 -7.431 4.084 1.00 0.00 H new ATOM 876 N LEU A 55 -0.738 -7.443 2.463 1.00 0.00 N ATOM 877 CA LEU A 55 -1.456 -8.643 2.069 1.00 0.00 C ATOM 878 C LEU A 55 -0.648 -9.875 2.484 1.00 0.00 C ATOM 879 O LEU A 55 0.514 -9.757 2.872 1.00 0.00 O ATOM 880 CB LEU A 55 -1.789 -8.602 0.576 1.00 0.00 C ATOM 881 CG LEU A 55 -3.101 -9.272 0.163 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.183 -9.059 1.225 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.552 -8.792 -1.218 1.00 0.00 C ATOM 0 H LEU A 55 0.150 -7.299 1.982 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.414 -8.700 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.821 -7.559 0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.974 -9.076 0.029 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.927 -10.346 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.105 -9.545 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.854 -9.489 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.361 -7.991 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.487 -9.284 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.703 -7.713 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.788 -9.037 -1.956 1.00 0.00 H new ATOM 895 N ASP A 56 -1.294 -11.027 2.389 1.00 0.00 N ATOM 896 CA ASP A 56 -0.650 -12.278 2.750 1.00 0.00 C ATOM 897 C ASP A 56 -1.312 -13.427 1.984 1.00 0.00 C ATOM 898 O ASP A 56 -2.451 -13.792 2.268 1.00 0.00 O ATOM 899 CB ASP A 56 -0.798 -12.562 4.247 1.00 0.00 C ATOM 900 CG ASP A 56 0.503 -12.495 5.048 1.00 0.00 C ATOM 901 OD1 ASP A 56 0.792 -11.489 5.715 1.00 0.00 O ATOM 902 OD2 ASP A 56 1.247 -13.546 4.970 1.00 0.00 O ATOM 0 H ASP A 56 -2.257 -11.121 2.067 1.00 0.00 H new ATOM 0 HA ASP A 56 0.408 -12.197 2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.504 -11.847 4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.234 -13.553 4.372 1.00 0.00 H new ATOM 908 N GLN A 57 -0.568 -13.963 1.028 1.00 0.00 N ATOM 909 CA GLN A 57 -1.067 -15.061 0.219 1.00 0.00 C ATOM 910 C GLN A 57 -0.936 -16.383 0.980 1.00 0.00 C ATOM 911 O GLN A 57 0.168 -16.785 1.347 1.00 0.00 O ATOM 912 CB GLN A 57 -0.339 -15.129 -1.125 1.00 0.00 C ATOM 913 CG GLN A 57 -0.981 -16.169 -2.045 1.00 0.00 C ATOM 914 CD GLN A 57 -0.027 -16.565 -3.174 1.00 0.00 C ATOM 915 OE1 GLN A 57 1.008 -15.955 -3.390 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.431 -17.617 -3.880 1.00 0.00 N ATOM 0 H GLN A 57 0.377 -13.657 0.796 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.123 -14.884 0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.362 -14.151 -1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.709 -15.380 -0.962 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.253 -17.052 -1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.902 -15.768 -2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.308 -18.082 -3.646 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.136 -17.959 -4.655 1.00 0.00 H new ATOM 925 N ILE A 58 -2.077 -17.022 1.192 1.00 0.00 N ATOM 926 CA ILE A 58 -2.103 -18.289 1.902 1.00 0.00 C ATOM 927 C ILE A 58 -1.381 -19.351 1.070 1.00 0.00 C ATOM 928 O ILE A 58 -1.679 -19.526 -0.111 1.00 0.00 O ATOM 929 CB ILE A 58 -3.540 -18.667 2.270 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.305 -17.457 2.805 1.00 0.00 C ATOM 931 CG2 ILE A 58 -3.563 -19.841 3.252 1.00 0.00 C ATOM 932 CD1 ILE A 58 -5.394 -17.887 3.791 1.00 0.00 C ATOM 0 H ILE A 58 -2.990 -16.686 0.885 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.567 -18.207 2.848 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.050 -18.995 1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.613 -16.774 3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.755 -16.912 1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.595 -20.090 3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.080 -20.706 2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.030 -19.565 4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.923 -17.006 4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.098 -18.551 3.289 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.938 -18.411 4.631 1.00 0.00 H new ATOM 944 N PHE A 59 -0.448 -20.031 1.717 1.00 0.00 N ATOM 945 CA PHE A 59 0.319 -21.070 1.052 1.00 0.00 C ATOM 946 C PHE A 59 -0.509 -22.348 0.898 1.00 0.00 C ATOM 947 O PHE A 59 -0.358 -23.075 -0.083 1.00 0.00 O ATOM 948 CB PHE A 59 1.533 -21.366 1.934 1.00 0.00 C ATOM 949 CG PHE A 59 2.666 -22.096 1.209 1.00 0.00 C ATOM 950 CD1 PHE A 59 3.602 -21.387 0.523 1.00 0.00 C ATOM 951 CD2 PHE A 59 2.737 -23.453 1.252 1.00 0.00 C ATOM 952 CE1 PHE A 59 4.653 -22.064 -0.150 1.00 0.00 C ATOM 953 CE2 PHE A 59 3.788 -24.131 0.580 1.00 0.00 C ATOM 954 CZ PHE A 59 4.724 -23.423 -0.107 1.00 0.00 C ATOM 0 H PHE A 59 -0.205 -19.883 2.696 1.00 0.00 H new ATOM 0 HA PHE A 59 0.612 -20.736 0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.917 -20.427 2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.213 -21.967 2.785 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.546 -20.309 0.490 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.994 -24.015 1.798 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.396 -21.501 -0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.844 -25.209 0.614 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.523 -23.939 -0.618 1.00 0.00 H new ATOM 964 N GLY A 60 -1.363 -22.584 1.883 1.00 0.00 N ATOM 965 CA GLY A 60 -2.214 -23.761 1.870 1.00 0.00 C ATOM 966 C GLY A 60 -2.970 -23.877 0.544 1.00 0.00 C ATOM 967 O GLY A 60 -3.064 -24.961 -0.028 1.00 0.00 O ATOM 0 H GLY A 60 -1.484 -21.980 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.608 -24.654 2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.925 -23.709 2.695 1.00 0.00 H new ATOM 971 N LYS A 61 -3.491 -22.744 0.096 1.00 0.00 N ATOM 972 CA LYS A 61 -4.236 -22.704 -1.150 1.00 0.00 C ATOM 973 C LYS A 61 -3.797 -21.484 -1.963 1.00 0.00 C ATOM 974 O LYS A 61 -2.630 -21.099 -1.931 1.00 0.00 O ATOM 975 CB LYS A 61 -5.741 -22.752 -0.877 1.00 0.00 C ATOM 976 CG LYS A 61 -6.207 -21.490 -0.148 1.00 0.00 C ATOM 977 CD LYS A 61 -7.724 -21.498 0.044 1.00 0.00 C ATOM 978 CE LYS A 61 -8.095 -21.948 1.459 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.375 -21.333 1.879 1.00 0.00 N ATOM 0 H LYS A 61 -3.412 -21.847 0.574 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.017 -23.585 -1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.282 -22.853 -1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.978 -23.631 -0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.714 -21.423 0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.913 -20.608 -0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.123 -20.501 -0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.183 -22.165 -0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.179 -23.034 1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.304 -21.668 2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.434 -21.329 2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.423 -20.356 1.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.168 -21.882 1.490 1.00 0.00 H new ATOM 992 N LEU A 62 -4.758 -20.909 -2.672 1.00 0.00 N ATOM 993 CA LEU A 62 -4.486 -19.741 -3.491 1.00 0.00 C ATOM 994 C LEU A 62 -5.296 -18.554 -2.965 1.00 0.00 C ATOM 995 O LEU A 62 -5.886 -17.807 -3.743 1.00 0.00 O ATOM 996 CB LEU A 62 -4.738 -20.050 -4.968 1.00 0.00 C ATOM 997 CG LEU A 62 -3.904 -21.185 -5.567 1.00 0.00 C ATOM 998 CD1 LEU A 62 -4.766 -22.097 -6.441 1.00 0.00 C ATOM 999 CD2 LEU A 62 -2.697 -20.636 -6.329 1.00 0.00 C ATOM 0 H LEU A 62 -5.726 -21.231 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.434 -19.466 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.793 -20.296 -5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.551 -19.145 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.519 -21.793 -4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.149 -22.895 -6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.564 -22.531 -5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.201 -21.516 -7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.122 -21.464 -6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.040 -19.991 -7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.068 -20.062 -5.649 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.298 -18.418 -1.647 1.00 0.00 N ATOM 1012 CA GLU A 63 -6.025 -17.335 -1.008 1.00 0.00 C ATOM 1013 C GLU A 63 -5.056 -16.251 -0.532 1.00 0.00 C ATOM 1014 O GLU A 63 -3.845 -16.469 -0.497 1.00 0.00 O ATOM 1015 CB GLU A 63 -6.876 -17.856 0.152 1.00 0.00 C ATOM 1016 CG GLU A 63 -8.300 -17.298 0.081 1.00 0.00 C ATOM 1017 CD GLU A 63 -9.325 -18.427 -0.044 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -10.038 -18.727 0.925 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -9.367 -19.001 -1.198 1.00 0.00 O ATOM 0 H GLU A 63 -4.808 -19.040 -1.004 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.699 -16.894 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.907 -18.945 0.125 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.418 -17.573 1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.509 -16.709 0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.389 -16.625 -0.772 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.623 -15.107 -0.180 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.824 -13.989 0.292 1.00 0.00 C ATOM 1029 C ALA A 64 -5.620 -13.203 1.335 1.00 0.00 C ATOM 1030 O ALA A 64 -6.789 -12.886 1.121 1.00 0.00 O ATOM 1031 CB ALA A 64 -4.406 -13.122 -0.897 1.00 0.00 C ATOM 0 H ALA A 64 -6.627 -14.930 -0.212 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.913 -14.345 0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.807 -12.283 -0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.818 -13.719 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.295 -12.745 -1.403 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.954 -12.910 2.443 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.585 -12.167 3.521 1.00 0.00 C ATOM 1039 C GLU A 65 -4.712 -10.978 3.927 1.00 0.00 C ATOM 1040 O GLU A 65 -3.511 -11.129 4.144 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.867 -13.075 4.720 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.704 -12.345 5.773 1.00 0.00 C ATOM 1043 CD GLU A 65 -6.356 -12.830 7.182 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -5.809 -12.060 7.985 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -6.675 -14.055 7.432 1.00 0.00 O ATOM 0 H GLU A 65 -3.984 -13.174 2.617 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.541 -11.785 3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.393 -13.970 4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.926 -13.404 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.530 -11.271 5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.764 -12.510 5.579 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.351 -9.820 4.016 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.648 -8.605 4.392 1.00 0.00 C ATOM 1055 C GLY A 66 -5.620 -7.553 4.930 1.00 0.00 C ATOM 1056 O GLY A 66 -6.834 -7.743 4.881 1.00 0.00 O ATOM 0 H GLY A 66 -6.347 -9.698 3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.899 -8.834 5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.116 -8.206 3.528 1.00 0.00 H new ATOM 1060 N TYR A 67 -5.050 -6.466 5.428 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.850 -5.384 5.973 1.00 0.00 C ATOM 1062 C TYR A 67 -5.808 -4.156 5.060 1.00 0.00 C ATOM 1063 O TYR A 67 -4.742 -3.768 4.587 1.00 0.00 O ATOM 1064 CB TYR A 67 -5.216 -5.026 7.319 1.00 0.00 C ATOM 1065 CG TYR A 67 -6.230 -4.723 8.424 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -6.015 -5.188 9.705 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -7.361 -3.985 8.140 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -6.968 -4.904 10.746 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -8.315 -3.700 9.180 1.00 0.00 C ATOM 1070 CZ TYR A 67 -8.072 -4.174 10.431 1.00 0.00 C ATOM 1071 OH TYR A 67 -8.973 -3.905 11.414 1.00 0.00 O ATOM 0 H TYR A 67 -4.042 -6.312 5.465 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.892 -5.689 6.070 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.580 -5.851 7.640 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.570 -4.158 7.185 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.130 -5.766 9.927 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.531 -3.621 7.137 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.810 -5.262 11.753 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.204 -3.123 8.971 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.710 -3.375 11.046 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.981 -3.580 4.842 1.00 0.00 N ATOM 1082 CA ALA A 68 -7.091 -2.405 3.995 1.00 0.00 C ATOM 1083 C ALA A 68 -7.383 -1.180 4.864 1.00 0.00 C ATOM 1084 O ALA A 68 -8.353 -1.168 5.620 1.00 0.00 O ATOM 1085 CB ALA A 68 -8.170 -2.639 2.935 1.00 0.00 C ATOM 0 H ALA A 68 -7.863 -3.905 5.237 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.153 -2.221 3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.253 -1.757 2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.900 -3.502 2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.126 -2.825 3.424 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.526 -0.179 4.727 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.680 1.047 5.491 1.00 0.00 C ATOM 1093 C LYS A 69 -6.808 2.229 4.528 1.00 0.00 C ATOM 1094 O LYS A 69 -6.261 2.200 3.428 1.00 0.00 O ATOM 1095 CB LYS A 69 -5.540 1.197 6.501 1.00 0.00 C ATOM 1096 CG LYS A 69 -5.682 2.494 7.301 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.938 3.643 6.618 1.00 0.00 C ATOM 1098 CE LYS A 69 -3.453 3.629 6.986 1.00 0.00 C ATOM 1099 NZ LYS A 69 -3.150 4.701 7.960 1.00 0.00 N ATOM 0 H LYS A 69 -5.723 -0.192 4.098 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.595 1.015 6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.537 0.345 7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.583 1.191 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.737 2.749 7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.290 2.349 8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.049 3.561 5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.381 4.594 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.186 2.660 7.408 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.849 3.763 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.268 4.474 8.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.040 5.605 7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.929 4.778 8.645 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.535 3.243 4.978 1.00 0.00 N ATOM 1113 CA ILE A 70 -7.741 4.432 4.171 1.00 0.00 C ATOM 1114 C ILE A 70 -7.523 5.675 5.036 1.00 0.00 C ATOM 1115 O ILE A 70 -8.041 5.761 6.148 1.00 0.00 O ATOM 1116 CB ILE A 70 -9.112 4.389 3.493 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -9.180 3.255 2.467 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -9.461 5.744 2.874 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -10.597 2.684 2.373 1.00 0.00 C ATOM 0 H ILE A 70 -7.988 3.264 5.892 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.012 4.473 3.362 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.864 4.181 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.868 3.624 1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.483 2.465 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.440 5.686 2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.481 6.506 3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.711 6.007 2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.617 1.880 1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.897 2.293 3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.287 3.471 2.069 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.753 6.608 4.493 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.460 7.842 5.202 1.00 0.00 C ATOM 1133 C TYR A 71 -7.528 8.902 4.922 1.00 0.00 C ATOM 1134 O TYR A 71 -8.389 8.709 4.065 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.117 8.332 4.655 1.00 0.00 C ATOM 1136 CG TYR A 71 -4.052 7.238 4.549 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -3.922 6.514 3.382 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -3.222 6.978 5.620 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -2.920 5.484 3.282 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -2.220 5.948 5.520 1.00 0.00 C ATOM 1141 CZ TYR A 71 -2.118 5.252 4.356 1.00 0.00 C ATOM 1142 OH TYR A 71 -1.172 4.281 4.261 1.00 0.00 O ATOM 0 H TYR A 71 -6.324 6.534 3.571 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.437 7.671 6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.275 8.768 3.668 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.743 9.128 5.299 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -4.571 6.719 2.544 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.323 7.546 6.533 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.808 4.909 2.375 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.564 5.733 6.351 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.877 4.202 3.330 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.436 9.997 5.661 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.383 11.088 5.504 1.00 0.00 C ATOM 1154 C ASN A 72 -7.735 12.206 4.685 1.00 0.00 C ATOM 1155 O ASN A 72 -8.412 12.893 3.922 1.00 0.00 O ATOM 1156 CB ASN A 72 -8.785 11.667 6.861 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.272 11.436 7.138 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -11.127 12.232 6.789 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.531 10.301 7.783 1.00 0.00 N ATOM 0 H ASN A 72 -6.720 10.153 6.371 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.268 10.697 5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.189 11.205 7.648 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.569 12.735 6.883 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.493 10.054 8.014 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.767 9.678 8.046 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.432 12.354 4.871 1.00 0.00 N ATOM 1167 CA ASP A 73 -5.685 13.377 4.159 1.00 0.00 C ATOM 1168 C ASP A 73 -4.197 13.025 4.181 1.00 0.00 C ATOM 1169 O ASP A 73 -3.696 12.491 5.170 1.00 0.00 O ATOM 1170 CB ASP A 73 -5.856 14.745 4.822 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.036 14.710 6.341 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -6.595 13.753 6.896 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -5.565 15.734 6.970 1.00 0.00 O ATOM 0 H ASP A 73 -5.874 11.782 5.505 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.063 13.421 3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.984 15.356 4.589 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.721 15.240 4.380 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.532 13.336 3.079 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.110 13.058 2.959 1.00 0.00 C ATOM 1181 C GLU A 74 -1.305 14.034 3.819 1.00 0.00 C ATOM 1182 O GLU A 74 -0.266 13.670 4.371 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.662 13.115 1.498 1.00 0.00 C ATOM 1184 CG GLU A 74 -2.676 12.425 0.584 1.00 0.00 C ATOM 1185 CD GLU A 74 -3.238 13.402 -0.450 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -2.707 13.496 -1.567 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -4.265 14.079 -0.060 1.00 0.00 O ATOM 0 H GLU A 74 -3.951 13.778 2.261 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.925 12.047 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.540 14.154 1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.689 12.636 1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.201 11.586 0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.490 12.015 1.182 1.00 0.00 H new ATOM 1195 N LYS A 75 -1.812 15.255 3.905 1.00 0.00 N ATOM 1196 CA LYS A 75 -1.152 16.286 4.688 1.00 0.00 C ATOM 1197 C LYS A 75 -0.922 15.771 6.111 1.00 0.00 C ATOM 1198 O LYS A 75 0.159 15.947 6.670 1.00 0.00 O ATOM 1199 CB LYS A 75 -1.944 17.594 4.628 1.00 0.00 C ATOM 1200 CG LYS A 75 -2.321 17.941 3.186 1.00 0.00 C ATOM 1201 CD LYS A 75 -3.750 17.495 2.870 1.00 0.00 C ATOM 1202 CE LYS A 75 -4.672 18.702 2.687 1.00 0.00 C ATOM 1203 NZ LYS A 75 -4.600 19.203 1.296 1.00 0.00 N ATOM 0 H LYS A 75 -2.672 15.554 3.445 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.172 16.514 4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.847 17.505 5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.352 18.402 5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.229 19.016 3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.626 17.459 2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.754 16.889 1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.125 16.865 3.677 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.698 18.423 2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.387 19.493 3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.232 20.022 1.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.624 19.488 1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.894 18.451 0.641 1.00 0.00 H new ATOM 1216 N ALA A 76 -1.956 15.145 6.653 1.00 0.00 N ATOM 1217 CA ALA A 76 -1.880 14.604 7.999 1.00 0.00 C ATOM 1218 C ALA A 76 -1.021 13.337 7.987 1.00 0.00 C ATOM 1219 O ALA A 76 -0.077 13.216 8.766 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.293 14.345 8.526 1.00 0.00 C ATOM 0 H ALA A 76 -2.851 15.000 6.185 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.406 15.318 8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.236 13.939 9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.853 15.280 8.542 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.799 13.631 7.876 1.00 0.00 H new ATOM 1226 N MET A 77 -1.380 12.426 7.095 1.00 0.00 N ATOM 1227 CA MET A 77 -0.654 11.174 6.971 1.00 0.00 C ATOM 1228 C MET A 77 0.840 11.424 6.754 1.00 0.00 C ATOM 1229 O MET A 77 1.679 10.809 7.410 1.00 0.00 O ATOM 1230 CB MET A 77 -1.214 10.372 5.794 1.00 0.00 C ATOM 1231 CG MET A 77 -0.137 9.476 5.180 1.00 0.00 C ATOM 1232 SD MET A 77 -0.898 8.204 4.185 1.00 0.00 S ATOM 1233 CE MET A 77 -0.626 8.881 2.555 1.00 0.00 C ATOM 0 H MET A 77 -2.164 12.530 6.451 1.00 0.00 H new ATOM 0 HA MET A 77 -0.778 10.612 7.897 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.052 9.761 6.131 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.601 11.053 5.036 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.539 10.073 4.568 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.464 9.022 5.968 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.473 8.637 1.914 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.522 9.964 2.623 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.284 8.455 2.131 1.00 0.00 H new ATOM 1243 N ALA A 78 1.126 12.330 5.830 1.00 0.00 N ATOM 1244 CA ALA A 78 2.504 12.670 5.517 1.00 0.00 C ATOM 1245 C ALA A 78 3.274 12.904 6.817 1.00 0.00 C ATOM 1246 O ALA A 78 4.408 12.447 6.963 1.00 0.00 O ATOM 1247 CB ALA A 78 2.532 13.891 4.595 1.00 0.00 C ATOM 0 H ALA A 78 0.427 12.839 5.288 1.00 0.00 H new ATOM 0 HA ALA A 78 2.991 11.851 4.988 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.565 14.146 4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.996 13.663 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.054 14.734 5.094 1.00 0.00 H new ATOM 1253 N THR A 79 2.630 13.615 7.731 1.00 0.00 N ATOM 1254 CA THR A 79 3.241 13.915 9.014 1.00 0.00 C ATOM 1255 C THR A 79 3.067 12.737 9.976 1.00 0.00 C ATOM 1256 O THR A 79 4.046 12.116 10.384 1.00 0.00 O ATOM 1257 CB THR A 79 2.632 15.219 9.534 1.00 0.00 C ATOM 1258 OG1 THR A 79 3.201 16.224 8.700 1.00 0.00 O ATOM 1259 CG2 THR A 79 3.125 15.576 10.938 1.00 0.00 C ATOM 0 H THR A 79 1.690 13.992 7.608 1.00 0.00 H new ATOM 0 HA THR A 79 4.317 14.058 8.916 1.00 0.00 H new ATOM 0 HB THR A 79 1.545 15.135 9.542 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.859 17.103 8.967 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.663 16.509 11.260 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.855 14.780 11.632 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.209 15.694 10.924 1.00 0.00 H new ATOM 1267 N ILE A 80 1.814 12.466 10.309 1.00 0.00 N ATOM 1268 CA ILE A 80 1.499 11.375 11.215 1.00 0.00 C ATOM 1269 C ILE A 80 2.401 10.179 10.897 1.00 0.00 C ATOM 1270 O ILE A 80 3.173 9.738 11.747 1.00 0.00 O ATOM 1271 CB ILE A 80 0.006 11.049 11.163 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -0.796 12.009 12.043 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -0.249 9.585 11.530 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -2.266 11.591 12.114 1.00 0.00 C ATOM 0 H ILE A 80 1.004 12.984 9.967 1.00 0.00 H new ATOM 0 HA ILE A 80 1.702 11.665 12.246 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.338 11.188 10.138 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.371 12.029 13.047 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.721 13.021 11.645 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.319 9.380 11.485 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.275 8.937 10.827 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.115 9.394 12.540 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.813 12.291 12.746 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.694 11.596 11.112 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.339 10.588 12.535 1.00 0.00 H new ATOM 1286 N GLU A 81 2.272 9.690 9.673 1.00 0.00 N ATOM 1287 CA GLU A 81 3.065 8.555 9.234 1.00 0.00 C ATOM 1288 C GLU A 81 4.353 9.036 8.561 1.00 0.00 C ATOM 1289 O GLU A 81 4.597 10.237 8.466 1.00 0.00 O ATOM 1290 CB GLU A 81 2.260 7.654 8.297 1.00 0.00 C ATOM 1291 CG GLU A 81 2.068 6.262 8.904 1.00 0.00 C ATOM 1292 CD GLU A 81 3.404 5.675 9.363 1.00 0.00 C ATOM 1293 OE1 GLU A 81 4.301 5.453 8.535 1.00 0.00 O ATOM 1294 OE2 GLU A 81 3.494 5.450 10.630 1.00 0.00 O ATOM 0 H GLU A 81 1.630 10.059 8.971 1.00 0.00 H new ATOM 0 HA GLU A 81 3.335 7.964 10.109 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.288 8.105 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.773 7.569 7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.383 6.322 9.750 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.610 5.601 8.169 1.00 0.00 H new ATOM 1302 N THR A 82 5.143 8.073 8.111 1.00 0.00 N ATOM 1303 CA THR A 82 6.399 8.382 7.449 1.00 0.00 C ATOM 1304 C THR A 82 6.512 7.611 6.132 1.00 0.00 C ATOM 1305 O THR A 82 5.503 7.207 5.557 1.00 0.00 O ATOM 1306 CB THR A 82 7.535 8.083 8.428 1.00 0.00 C ATOM 1307 OG1 THR A 82 7.652 6.662 8.400 1.00 0.00 O ATOM 1308 CG2 THR A 82 7.158 8.397 9.877 1.00 0.00 C ATOM 0 H THR A 82 4.938 7.077 8.192 1.00 0.00 H new ATOM 0 HA THR A 82 6.454 9.436 7.177 1.00 0.00 H new ATOM 0 HB THR A 82 8.416 8.661 8.149 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.369 6.381 9.007 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.000 8.167 10.530 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.908 9.454 9.967 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.298 7.794 10.168 1.00 0.00 H new ATOM 1316 N LYS A 83 7.750 7.432 5.693 1.00 0.00 N ATOM 1317 CA LYS A 83 8.009 6.717 4.455 1.00 0.00 C ATOM 1318 C LYS A 83 7.670 5.236 4.646 1.00 0.00 C ATOM 1319 O LYS A 83 7.558 4.492 3.673 1.00 0.00 O ATOM 1320 CB LYS A 83 9.443 6.964 3.983 1.00 0.00 C ATOM 1321 CG LYS A 83 10.455 6.417 4.992 1.00 0.00 C ATOM 1322 CD LYS A 83 10.753 4.940 4.722 1.00 0.00 C ATOM 1323 CE LYS A 83 12.045 4.780 3.918 1.00 0.00 C ATOM 1324 NZ LYS A 83 12.330 3.349 3.674 1.00 0.00 N ATOM 0 H LYS A 83 8.584 7.770 6.173 1.00 0.00 H new ATOM 0 HA LYS A 83 7.367 7.091 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.597 6.489 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.605 8.033 3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.378 6.994 4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.066 6.534 6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.840 4.404 5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.923 4.492 4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.956 5.306 2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.875 5.235 4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.210 3.259 3.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.435 2.856 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.545 2.925 3.139 1.00 0.00 H new ATOM 1337 N SER A 84 7.519 4.855 5.906 1.00 0.00 N ATOM 1338 CA SER A 84 7.197 3.477 6.236 1.00 0.00 C ATOM 1339 C SER A 84 5.852 3.091 5.616 1.00 0.00 C ATOM 1340 O SER A 84 5.746 2.067 4.943 1.00 0.00 O ATOM 1341 CB SER A 84 7.162 3.267 7.751 1.00 0.00 C ATOM 1342 OG SER A 84 8.216 2.419 8.197 1.00 0.00 O ATOM 0 H SER A 84 7.614 5.476 6.710 1.00 0.00 H new ATOM 0 HA SER A 84 7.977 2.836 5.825 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.236 4.232 8.252 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.203 2.833 8.035 1.00 0.00 H new ATOM 0 HG SER A 84 8.160 2.311 9.169 1.00 0.00 H new ATOM 1348 N VAL A 85 4.859 3.932 5.865 1.00 0.00 N ATOM 1349 CA VAL A 85 3.525 3.692 5.340 1.00 0.00 C ATOM 1350 C VAL A 85 3.455 4.188 3.894 1.00 0.00 C ATOM 1351 O VAL A 85 2.934 3.495 3.021 1.00 0.00 O ATOM 1352 CB VAL A 85 2.480 4.343 6.247 1.00 0.00 C ATOM 1353 CG1 VAL A 85 1.258 4.789 5.443 1.00 0.00 C ATOM 1354 CG2 VAL A 85 2.076 3.400 7.383 1.00 0.00 C ATOM 0 H VAL A 85 4.951 4.781 6.423 1.00 0.00 H new ATOM 0 HA VAL A 85 3.305 2.625 5.329 1.00 0.00 H new ATOM 0 HB VAL A 85 2.929 5.231 6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.530 5.249 6.112 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.564 5.513 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.808 3.924 4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.332 3.887 8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.655 2.486 6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.953 3.154 7.981 1.00 0.00 H new ATOM 1364 N LEU A 86 3.986 5.384 3.686 1.00 0.00 N ATOM 1365 CA LEU A 86 3.989 5.981 2.361 1.00 0.00 C ATOM 1366 C LEU A 86 4.720 5.051 1.390 1.00 0.00 C ATOM 1367 O LEU A 86 4.505 5.119 0.180 1.00 0.00 O ATOM 1368 CB LEU A 86 4.567 7.396 2.413 1.00 0.00 C ATOM 1369 CG LEU A 86 3.649 8.477 2.985 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.508 7.855 3.792 1.00 0.00 C ATOM 1371 CD2 LEU A 86 4.444 9.492 3.808 1.00 0.00 C ATOM 0 H LEU A 86 4.417 5.956 4.413 1.00 0.00 H new ATOM 0 HA LEU A 86 2.970 6.092 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.480 7.372 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.852 7.688 1.402 1.00 0.00 H new ATOM 0 HG LEU A 86 3.199 9.018 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.870 8.645 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.920 7.202 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.920 7.274 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.767 10.250 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.940 8.982 4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.192 9.968 3.174 1.00 0.00 H new ATOM 1383 N GLU A 87 5.568 4.206 1.955 1.00 0.00 N ATOM 1384 CA GLU A 87 6.333 3.265 1.155 1.00 0.00 C ATOM 1385 C GLU A 87 5.392 2.385 0.328 1.00 0.00 C ATOM 1386 O GLU A 87 5.596 2.208 -0.872 1.00 0.00 O ATOM 1387 CB GLU A 87 7.249 2.413 2.035 1.00 0.00 C ATOM 1388 CG GLU A 87 8.704 2.869 1.915 1.00 0.00 C ATOM 1389 CD GLU A 87 9.540 1.839 1.153 1.00 0.00 C ATOM 1390 OE1 GLU A 87 10.155 0.958 1.772 1.00 0.00 O ATOM 1391 OE2 GLU A 87 9.537 1.976 -0.130 1.00 0.00 O ATOM 0 H GLU A 87 5.743 4.153 2.959 1.00 0.00 H new ATOM 0 HA GLU A 87 6.966 3.830 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.927 2.481 3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.167 1.366 1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.747 3.829 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.125 3.020 2.909 1.00 0.00 H new ATOM 1399 N LYS A 88 4.381 1.857 1.004 1.00 0.00 N ATOM 1400 CA LYS A 88 3.409 0.999 0.348 1.00 0.00 C ATOM 1401 C LYS A 88 2.866 1.709 -0.894 1.00 0.00 C ATOM 1402 O LYS A 88 3.143 1.297 -2.019 1.00 0.00 O ATOM 1403 CB LYS A 88 2.322 0.570 1.335 1.00 0.00 C ATOM 1404 CG LYS A 88 2.929 -0.154 2.539 1.00 0.00 C ATOM 1405 CD LYS A 88 2.410 0.434 3.852 1.00 0.00 C ATOM 1406 CE LYS A 88 0.899 0.232 3.985 1.00 0.00 C ATOM 1407 NZ LYS A 88 0.482 0.361 5.399 1.00 0.00 N ATOM 0 H LYS A 88 4.214 2.007 1.999 1.00 0.00 H new ATOM 0 HA LYS A 88 3.881 0.077 0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.768 1.445 1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.609 -0.085 0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.685 -1.215 2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.016 -0.075 2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.919 -0.038 4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.643 1.498 3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.373 0.967 3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.623 -0.752 3.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.556 0.408 5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.819 -0.463 5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.889 1.229 5.803 1.00 0.00 H new ATOM 1420 N ASN A 89 2.104 2.765 -0.648 1.00 0.00 N ATOM 1421 CA ASN A 89 1.520 3.536 -1.732 1.00 0.00 C ATOM 1422 C ASN A 89 2.603 3.862 -2.762 1.00 0.00 C ATOM 1423 O ASN A 89 3.431 4.744 -2.537 1.00 0.00 O ATOM 1424 CB ASN A 89 0.940 4.856 -1.220 1.00 0.00 C ATOM 1425 CG ASN A 89 0.377 5.690 -2.372 1.00 0.00 C ATOM 1426 OD1 ASN A 89 0.415 5.306 -3.529 1.00 0.00 O ATOM 1427 ND2 ASN A 89 -0.148 6.852 -1.991 1.00 0.00 N ATOM 0 H ASN A 89 1.878 3.105 0.287 1.00 0.00 H new ATOM 0 HA ASN A 89 0.722 2.941 -2.177 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.153 4.654 -0.494 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.715 5.421 -0.702 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -0.551 7.482 -2.685 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -0.148 7.113 -1.005 1.00 0.00 H new