USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 648 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 25 TYR OH : rot 129:sc= -2.82! USER MOD Set 1.2: A 29 ASN : amide:sc= -1.35 K(o=-4.2,f=-8.9!) USER MOD Set 2.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 17 HIS : no HE2:sc= -5.54! C(o=-5.5!,f=-7.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.031) USER MOD Single : A 18 GLN : amide:sc= -2.71! K(o=-2.7!,f=-1.4) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -140:sc= -2 (180deg=-4.45!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.425 X(o=-0.42,f=0.013) USER MOD Single : A 31 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.4) USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= -0.142 (180deg=-0.702) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -67:sc= 1.25 USER MOD Single : A 47 THR OG1 : rot -176:sc= -4.71! USER MOD Single : A 48 LYS NZ :NH3+ -122:sc= -0.287 (180deg=-0.503) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.41) USER MOD Single : A 57 ASN : amide:sc= -0.178 K(o=-0.18,f=-2.4!) USER MOD Single : A 61 LYS NZ :NH3+ 159:sc= -0.0571 (180deg=-0.403) USER MOD Single : A 65 ASN : amide:sc=-0.00504 K(o=-0.005,f=-1.3) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0.139 K(o=0.14,f=-1.1) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.006 -15.790 0.287 1.00 0.00 N ATOM 2 CA GLY A 1 9.728 -14.532 -0.381 1.00 0.00 C ATOM 3 C GLY A 1 9.808 -14.647 -1.890 1.00 0.00 C ATOM 4 O GLY A 1 10.821 -15.085 -2.434 1.00 0.00 O ATOM 0 H1 GLY A 1 9.939 -15.659 1.316 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.314 -16.505 -0.017 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.965 -16.109 0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.734 -14.186 -0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.437 -13.778 -0.039 1.00 0.00 H new ATOM 8 N SER A 2 8.735 -14.253 -2.570 1.00 0.00 N ATOM 9 CA SER A 2 8.687 -14.318 -4.027 1.00 0.00 C ATOM 10 C SER A 2 8.155 -13.013 -4.611 1.00 0.00 C ATOM 11 O SER A 2 7.724 -12.122 -3.880 1.00 0.00 O ATOM 12 CB SER A 2 7.808 -15.487 -4.475 1.00 0.00 C ATOM 13 OG SER A 2 6.433 -15.183 -4.314 1.00 0.00 O ATOM 0 H SER A 2 7.888 -13.886 -2.136 1.00 0.00 H new ATOM 0 HA SER A 2 9.701 -14.473 -4.395 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.012 -15.720 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.057 -16.376 -3.896 1.00 0.00 H new ATOM 0 HG SER A 2 5.893 -15.945 -4.609 1.00 0.00 H new ATOM 19 N SER A 3 8.190 -12.909 -5.936 1.00 0.00 N ATOM 20 CA SER A 3 7.716 -11.713 -6.621 1.00 0.00 C ATOM 21 C SER A 3 6.329 -11.940 -7.215 1.00 0.00 C ATOM 22 O SER A 3 5.837 -13.066 -7.259 1.00 0.00 O ATOM 23 CB SER A 3 8.695 -11.309 -7.725 1.00 0.00 C ATOM 24 OG SER A 3 9.847 -10.686 -7.183 1.00 0.00 O ATOM 0 H SER A 3 8.542 -13.639 -6.556 1.00 0.00 H new ATOM 0 HA SER A 3 7.652 -10.908 -5.889 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.989 -12.190 -8.295 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.203 -10.629 -8.420 1.00 0.00 H new ATOM 0 HG SER A 3 10.457 -10.439 -7.909 1.00 0.00 H new ATOM 30 N GLY A 4 5.702 -10.859 -7.669 1.00 0.00 N ATOM 31 CA GLY A 4 4.377 -10.959 -8.254 1.00 0.00 C ATOM 32 C GLY A 4 4.259 -10.196 -9.557 1.00 0.00 C ATOM 33 O GLY A 4 5.256 -9.718 -10.098 1.00 0.00 O ATOM 0 H GLY A 4 6.088 -9.915 -7.642 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.139 -12.008 -8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.641 -10.578 -7.546 1.00 0.00 H new ATOM 37 N SER A 5 3.036 -10.080 -10.065 1.00 0.00 N ATOM 38 CA SER A 5 2.791 -9.373 -11.317 1.00 0.00 C ATOM 39 C SER A 5 2.046 -8.066 -11.065 1.00 0.00 C ATOM 40 O SER A 5 1.318 -7.932 -10.082 1.00 0.00 O ATOM 41 CB SER A 5 1.988 -10.254 -12.275 1.00 0.00 C ATOM 42 OG SER A 5 0.785 -10.699 -11.674 1.00 0.00 O ATOM 0 H SER A 5 2.199 -10.467 -9.629 1.00 0.00 H new ATOM 0 HA SER A 5 3.755 -9.140 -11.770 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.759 -9.695 -13.182 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.589 -11.113 -12.573 1.00 0.00 H new ATOM 0 HG SER A 5 0.290 -11.259 -12.308 1.00 0.00 H new ATOM 48 N SER A 6 2.234 -7.103 -11.962 1.00 0.00 N ATOM 49 CA SER A 6 1.584 -5.803 -11.836 1.00 0.00 C ATOM 50 C SER A 6 0.514 -5.627 -12.909 1.00 0.00 C ATOM 51 O SER A 6 0.683 -6.057 -14.048 1.00 0.00 O ATOM 52 CB SER A 6 2.617 -4.680 -11.941 1.00 0.00 C ATOM 53 OG SER A 6 3.197 -4.401 -10.679 1.00 0.00 O ATOM 0 H SER A 6 2.831 -7.198 -12.784 1.00 0.00 H new ATOM 0 HA SER A 6 1.106 -5.756 -10.858 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.396 -4.964 -12.648 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.142 -3.781 -12.333 1.00 0.00 H new ATOM 0 HG SER A 6 3.855 -3.681 -10.773 1.00 0.00 H new ATOM 59 N GLY A 7 -0.592 -4.990 -12.533 1.00 0.00 N ATOM 60 CA GLY A 7 -1.675 -4.767 -13.472 1.00 0.00 C ATOM 61 C GLY A 7 -3.025 -4.676 -12.790 1.00 0.00 C ATOM 62 O GLY A 7 -3.201 -5.170 -11.676 1.00 0.00 O ATOM 0 H GLY A 7 -0.756 -4.625 -11.595 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.488 -3.847 -14.025 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.693 -5.578 -14.200 1.00 0.00 H new ATOM 66 N LYS A 8 -3.984 -4.043 -13.459 1.00 0.00 N ATOM 67 CA LYS A 8 -5.325 -3.889 -12.911 1.00 0.00 C ATOM 68 C LYS A 8 -6.344 -4.668 -13.737 1.00 0.00 C ATOM 69 O LYS A 8 -6.695 -4.265 -14.845 1.00 0.00 O ATOM 70 CB LYS A 8 -5.714 -2.409 -12.866 1.00 0.00 C ATOM 71 CG LYS A 8 -5.289 -1.632 -14.100 1.00 0.00 C ATOM 72 CD LYS A 8 -3.861 -1.127 -13.976 1.00 0.00 C ATOM 73 CE LYS A 8 -3.275 -0.775 -15.335 1.00 0.00 C ATOM 74 NZ LYS A 8 -1.860 -0.324 -15.228 1.00 0.00 N ATOM 0 H LYS A 8 -3.856 -3.629 -14.382 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.323 -4.289 -11.897 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.795 -2.329 -12.751 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.265 -1.950 -11.985 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.376 -2.269 -14.980 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.963 -0.788 -14.250 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.839 -0.249 -13.331 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.245 -1.889 -13.499 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.331 -1.644 -15.991 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.873 0.011 -15.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.497 -0.093 -16.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.810 0.520 -14.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.284 -1.083 -14.812 1.00 0.00 H new ATOM 88 N ARG A 9 -6.814 -5.784 -13.188 1.00 0.00 N ATOM 89 CA ARG A 9 -7.792 -6.619 -13.876 1.00 0.00 C ATOM 90 C ARG A 9 -9.211 -6.127 -13.607 1.00 0.00 C ATOM 91 O ARG A 9 -9.940 -5.770 -14.533 1.00 0.00 O ATOM 92 CB ARG A 9 -7.653 -8.075 -13.430 1.00 0.00 C ATOM 93 CG ARG A 9 -6.655 -8.873 -14.255 1.00 0.00 C ATOM 94 CD ARG A 9 -5.233 -8.666 -13.761 1.00 0.00 C ATOM 95 NE ARG A 9 -5.079 -9.049 -12.360 1.00 0.00 N ATOM 96 CZ ARG A 9 -3.930 -8.964 -11.698 1.00 0.00 C ATOM 97 NH1 ARG A 9 -2.841 -8.514 -12.306 1.00 0.00 N ATOM 98 NH2 ARG A 9 -3.869 -9.332 -10.424 1.00 0.00 N ATOM 0 H ARG A 9 -6.534 -6.130 -12.270 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.600 -6.554 -14.947 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.347 -8.098 -12.384 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.628 -8.558 -13.488 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.907 -9.932 -14.208 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.725 -8.575 -15.301 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.548 -9.251 -14.374 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.956 -7.619 -13.883 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.897 -9.401 -11.863 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.883 -8.232 -13.285 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.961 -8.450 -11.794 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.704 -9.680 -9.953 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.987 -9.267 -9.916 1.00 0.00 H new ATOM 112 N MET A 10 -9.596 -6.111 -12.336 1.00 0.00 N ATOM 113 CA MET A 10 -10.927 -5.661 -11.946 1.00 0.00 C ATOM 114 C MET A 10 -10.843 -4.542 -10.913 1.00 0.00 C ATOM 115 O MET A 10 -9.821 -4.376 -10.246 1.00 0.00 O ATOM 116 CB MET A 10 -11.738 -6.830 -11.383 1.00 0.00 C ATOM 117 CG MET A 10 -12.414 -7.672 -12.454 1.00 0.00 C ATOM 118 SD MET A 10 -11.233 -8.462 -13.564 1.00 0.00 S ATOM 119 CE MET A 10 -12.340 -9.289 -14.703 1.00 0.00 C ATOM 0 H MET A 10 -9.005 -6.404 -11.558 1.00 0.00 H new ATOM 0 HA MET A 10 -11.427 -5.274 -12.834 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.080 -7.468 -10.793 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.498 -6.441 -10.705 1.00 0.00 H new ATOM 0 HG2 MET A 10 -13.026 -8.437 -11.977 1.00 0.00 H new ATOM 0 HG3 MET A 10 -13.087 -7.042 -13.035 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.757 -9.824 -15.453 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.964 -9.996 -14.156 1.00 0.00 H new ATOM 0 HE3 MET A 10 -12.974 -8.551 -15.195 1.00 0.00 H new ATOM 129 N ARG A 11 -11.923 -3.777 -10.786 1.00 0.00 N ATOM 130 CA ARG A 11 -11.968 -2.673 -9.836 1.00 0.00 C ATOM 131 C ARG A 11 -12.868 -3.013 -8.651 1.00 0.00 C ATOM 132 O ARG A 11 -14.025 -3.397 -8.825 1.00 0.00 O ATOM 133 CB ARG A 11 -12.471 -1.402 -10.523 1.00 0.00 C ATOM 134 CG ARG A 11 -11.461 -0.784 -11.475 1.00 0.00 C ATOM 135 CD ARG A 11 -12.093 0.301 -12.332 1.00 0.00 C ATOM 136 NE ARG A 11 -11.435 0.429 -13.629 1.00 0.00 N ATOM 137 CZ ARG A 11 -11.471 -0.511 -14.567 1.00 0.00 C ATOM 138 NH1 ARG A 11 -12.130 -1.641 -14.353 1.00 0.00 N ATOM 139 NH2 ARG A 11 -10.847 -0.321 -15.723 1.00 0.00 N ATOM 0 H ARG A 11 -12.777 -3.902 -11.329 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.957 -2.503 -9.466 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.383 -1.633 -11.074 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.736 -0.668 -9.762 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.633 -0.362 -10.905 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.044 -1.559 -12.117 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.149 0.075 -12.482 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.043 1.254 -11.805 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.920 1.287 -13.826 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.611 -1.791 -13.466 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.156 -2.361 -15.075 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.339 0.547 -15.892 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.875 -1.043 -16.443 1.00 0.00 H new ATOM 153 N THR A 12 -12.328 -2.870 -7.444 1.00 0.00 N ATOM 154 CA THR A 12 -13.080 -3.163 -6.231 1.00 0.00 C ATOM 155 C THR A 12 -12.687 -2.220 -5.099 1.00 0.00 C ATOM 156 O THR A 12 -11.518 -1.867 -4.951 1.00 0.00 O ATOM 157 CB THR A 12 -12.861 -4.617 -5.772 1.00 0.00 C ATOM 158 OG1 THR A 12 -13.709 -4.912 -4.657 1.00 0.00 O ATOM 159 CG2 THR A 12 -11.407 -4.850 -5.386 1.00 0.00 C ATOM 0 H THR A 12 -11.372 -2.553 -7.281 1.00 0.00 H new ATOM 0 HA THR A 12 -14.134 -3.020 -6.470 1.00 0.00 H new ATOM 0 HB THR A 12 -13.110 -5.278 -6.602 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.565 -5.839 -4.373 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.277 -5.884 -5.065 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.766 -4.653 -6.246 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.135 -4.180 -4.570 1.00 0.00 H new ATOM 167 N SER A 13 -13.672 -1.816 -4.303 1.00 0.00 N ATOM 168 CA SER A 13 -13.430 -0.911 -3.186 1.00 0.00 C ATOM 169 C SER A 13 -13.131 -1.692 -1.910 1.00 0.00 C ATOM 170 O SER A 13 -13.641 -2.794 -1.709 1.00 0.00 O ATOM 171 CB SER A 13 -14.639 0.000 -2.969 1.00 0.00 C ATOM 172 OG SER A 13 -14.762 0.942 -4.020 1.00 0.00 O ATOM 0 H SER A 13 -14.645 -2.101 -4.411 1.00 0.00 H new ATOM 0 HA SER A 13 -12.562 -0.298 -3.428 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.546 -0.602 -2.908 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.539 0.523 -2.018 1.00 0.00 H new ATOM 0 HG SER A 13 -15.543 1.511 -3.859 1.00 0.00 H new ATOM 178 N PHE A 14 -12.301 -1.111 -1.049 1.00 0.00 N ATOM 179 CA PHE A 14 -11.933 -1.752 0.209 1.00 0.00 C ATOM 180 C PHE A 14 -12.665 -1.107 1.382 1.00 0.00 C ATOM 181 O PHE A 14 -13.339 -0.089 1.224 1.00 0.00 O ATOM 182 CB PHE A 14 -10.421 -1.664 0.426 1.00 0.00 C ATOM 183 CG PHE A 14 -9.618 -2.234 -0.708 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.292 -3.580 -0.736 1.00 0.00 C ATOM 185 CD2 PHE A 14 -9.188 -1.423 -1.748 1.00 0.00 C ATOM 186 CE1 PHE A 14 -8.553 -4.108 -1.779 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.450 -1.946 -2.792 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.131 -3.289 -2.808 1.00 0.00 C ATOM 0 H PHE A 14 -11.871 -0.198 -1.199 1.00 0.00 H new ATOM 0 HA PHE A 14 -12.225 -2.801 0.154 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.143 -0.620 0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.163 -2.191 1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.619 -4.225 0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.433 -0.371 -1.741 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.306 -5.159 -1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.122 -1.304 -3.596 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.553 -3.698 -3.623 1.00 0.00 H new ATOM 198 N LYS A 15 -12.527 -1.709 2.559 1.00 0.00 N ATOM 199 CA LYS A 15 -13.174 -1.196 3.760 1.00 0.00 C ATOM 200 C LYS A 15 -12.240 -0.262 4.524 1.00 0.00 C ATOM 201 O LYS A 15 -11.106 -0.024 4.106 1.00 0.00 O ATOM 202 CB LYS A 15 -13.607 -2.351 4.665 1.00 0.00 C ATOM 203 CG LYS A 15 -14.241 -3.508 3.912 1.00 0.00 C ATOM 204 CD LYS A 15 -15.742 -3.322 3.763 1.00 0.00 C ATOM 205 CE LYS A 15 -16.453 -4.654 3.580 1.00 0.00 C ATOM 206 NZ LYS A 15 -16.857 -5.251 4.883 1.00 0.00 N ATOM 0 H LYS A 15 -11.973 -2.553 2.706 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.055 -0.632 3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.739 -2.717 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.316 -1.977 5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.785 -3.595 2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.040 -4.440 4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.136 -2.816 4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.947 -2.678 2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.336 -4.512 2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.797 -5.346 3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.338 -6.158 4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.012 -5.411 5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.503 -4.602 5.377 1.00 0.00 H new ATOM 220 N HIS A 16 -12.723 0.264 5.646 1.00 0.00 N ATOM 221 CA HIS A 16 -11.931 1.171 6.469 1.00 0.00 C ATOM 222 C HIS A 16 -11.143 0.399 7.523 1.00 0.00 C ATOM 223 O HIS A 16 -9.955 0.647 7.730 1.00 0.00 O ATOM 224 CB HIS A 16 -12.834 2.203 7.144 1.00 0.00 C ATOM 225 CG HIS A 16 -13.502 3.136 6.181 1.00 0.00 C ATOM 226 ND1 HIS A 16 -13.657 4.483 6.425 1.00 0.00 N ATOM 227 CD2 HIS A 16 -14.053 2.909 4.966 1.00 0.00 C ATOM 228 CE1 HIS A 16 -14.278 5.045 5.403 1.00 0.00 C ATOM 229 NE2 HIS A 16 -14.529 4.111 4.504 1.00 0.00 N ATOM 0 H HIS A 16 -13.659 0.077 6.006 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.225 1.689 5.819 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.598 1.683 7.722 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.242 2.785 7.850 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -14.108 1.959 4.455 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.536 6.090 5.318 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.000 4.259 3.611 1.00 0.00 H new ATOM 238 N HIS A 17 -11.813 -0.537 8.187 1.00 0.00 N ATOM 239 CA HIS A 17 -11.175 -1.345 9.221 1.00 0.00 C ATOM 240 C HIS A 17 -9.914 -2.015 8.686 1.00 0.00 C ATOM 241 O HIS A 17 -8.806 -1.722 9.137 1.00 0.00 O ATOM 242 CB HIS A 17 -12.147 -2.405 9.741 1.00 0.00 C ATOM 243 CG HIS A 17 -12.994 -3.019 8.669 1.00 0.00 C ATOM 244 ND1 HIS A 17 -12.737 -4.259 8.124 1.00 0.00 N ATOM 245 CD2 HIS A 17 -14.102 -2.557 8.042 1.00 0.00 C ATOM 246 CE1 HIS A 17 -13.648 -4.533 7.207 1.00 0.00 C ATOM 247 NE2 HIS A 17 -14.488 -3.516 7.139 1.00 0.00 N ATOM 0 H HIS A 17 -12.797 -0.755 8.028 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.895 -0.685 10.042 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -11.581 -3.191 10.240 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.796 -1.954 10.492 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -11.964 -4.870 8.388 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.591 -1.610 8.219 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -13.697 -5.435 6.614 1.00 0.00 H new ATOM 256 N GLN A 18 -10.089 -2.914 7.723 1.00 0.00 N ATOM 257 CA GLN A 18 -8.964 -3.625 7.128 1.00 0.00 C ATOM 258 C GLN A 18 -7.901 -2.648 6.636 1.00 0.00 C ATOM 259 O GLN A 18 -6.718 -2.790 6.951 1.00 0.00 O ATOM 260 CB GLN A 18 -9.442 -4.502 5.970 1.00 0.00 C ATOM 261 CG GLN A 18 -10.664 -3.951 5.253 1.00 0.00 C ATOM 262 CD GLN A 18 -10.706 -4.337 3.788 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.496 -5.188 3.381 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.852 -3.711 2.986 1.00 0.00 N ATOM 0 H GLN A 18 -10.999 -3.167 7.338 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.521 -4.259 7.896 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.630 -4.615 5.252 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.672 -5.497 6.350 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.565 -4.316 5.747 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.671 -2.864 5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.214 -3.012 3.366 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.834 -3.930 1.990 1.00 0.00 H new ATOM 273 N LEU A 19 -8.328 -1.657 5.863 1.00 0.00 N ATOM 274 CA LEU A 19 -7.413 -0.656 5.326 1.00 0.00 C ATOM 275 C LEU A 19 -6.611 0.004 6.444 1.00 0.00 C ATOM 276 O LEU A 19 -5.410 0.234 6.307 1.00 0.00 O ATOM 277 CB LEU A 19 -8.188 0.407 4.544 1.00 0.00 C ATOM 278 CG LEU A 19 -8.389 0.131 3.055 1.00 0.00 C ATOM 279 CD1 LEU A 19 -8.989 1.344 2.363 1.00 0.00 C ATOM 280 CD2 LEU A 19 -7.071 -0.260 2.402 1.00 0.00 C ATOM 0 H LEU A 19 -9.303 -1.525 5.593 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.719 -1.159 4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.168 0.527 5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.667 1.359 4.650 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.084 -0.702 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.125 1.128 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.954 1.579 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.319 2.196 2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.233 -0.453 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.353 0.552 2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.681 -1.159 2.879 1.00 0.00 H new ATOM 292 N ARG A 20 -7.283 0.302 7.551 1.00 0.00 N ATOM 293 CA ARG A 20 -6.633 0.933 8.693 1.00 0.00 C ATOM 294 C ARG A 20 -5.335 0.213 9.046 1.00 0.00 C ATOM 295 O ARG A 20 -4.340 0.844 9.405 1.00 0.00 O ATOM 296 CB ARG A 20 -7.571 0.938 9.902 1.00 0.00 C ATOM 297 CG ARG A 20 -7.090 1.819 11.042 1.00 0.00 C ATOM 298 CD ARG A 20 -6.932 3.266 10.600 1.00 0.00 C ATOM 299 NE ARG A 20 -6.788 4.173 11.736 1.00 0.00 N ATOM 300 CZ ARG A 20 -6.729 5.495 11.617 1.00 0.00 C ATOM 301 NH1 ARG A 20 -6.803 6.060 10.420 1.00 0.00 N ATOM 302 NH2 ARG A 20 -6.598 6.253 12.698 1.00 0.00 N ATOM 0 H ARG A 20 -8.278 0.117 7.681 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.396 1.962 8.421 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.557 1.276 9.584 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.686 -0.083 10.266 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.798 1.765 11.869 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.136 1.445 11.415 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.059 3.354 9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.799 3.561 10.008 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.730 3.770 12.671 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.906 5.480 9.588 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.757 7.075 10.332 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.543 5.821 13.620 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.553 7.268 12.607 1.00 0.00 H new ATOM 316 N THR A 21 -5.352 -1.113 8.943 1.00 0.00 N ATOM 317 CA THR A 21 -4.178 -1.918 9.252 1.00 0.00 C ATOM 318 C THR A 21 -3.135 -1.819 8.145 1.00 0.00 C ATOM 319 O THR A 21 -1.937 -1.728 8.413 1.00 0.00 O ATOM 320 CB THR A 21 -4.550 -3.398 9.460 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.417 -3.531 10.591 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.305 -4.247 9.665 1.00 0.00 C ATOM 0 H THR A 21 -6.167 -1.651 8.648 1.00 0.00 H new ATOM 0 HA THR A 21 -3.760 -1.522 10.178 1.00 0.00 H new ATOM 0 HB THR A 21 -5.065 -3.749 8.565 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.650 -4.475 10.715 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.594 -5.288 9.810 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.662 -4.168 8.788 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.765 -3.895 10.544 1.00 0.00 H new ATOM 330 N MET A 22 -3.599 -1.836 6.899 1.00 0.00 N ATOM 331 CA MET A 22 -2.705 -1.746 5.750 1.00 0.00 C ATOM 332 C MET A 22 -2.013 -0.387 5.705 1.00 0.00 C ATOM 333 O MET A 22 -0.792 -0.297 5.828 1.00 0.00 O ATOM 334 CB MET A 22 -3.482 -1.979 4.453 1.00 0.00 C ATOM 335 CG MET A 22 -3.590 -3.444 4.064 1.00 0.00 C ATOM 336 SD MET A 22 -3.734 -3.681 2.283 1.00 0.00 S ATOM 337 CE MET A 22 -5.452 -3.249 2.022 1.00 0.00 C ATOM 0 H MET A 22 -4.588 -1.911 6.660 1.00 0.00 H new ATOM 0 HA MET A 22 -1.943 -2.519 5.852 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.485 -1.565 4.561 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.996 -1.432 3.645 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.712 -3.978 4.428 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.457 -3.884 4.556 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.893 -3.933 1.297 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.993 -3.322 2.965 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.517 -2.229 1.644 1.00 0.00 H new ATOM 347 N LYS A 23 -2.801 0.667 5.527 1.00 0.00 N ATOM 348 CA LYS A 23 -2.265 2.022 5.467 1.00 0.00 C ATOM 349 C LYS A 23 -1.224 2.245 6.560 1.00 0.00 C ATOM 350 O LYS A 23 -0.053 2.493 6.274 1.00 0.00 O ATOM 351 CB LYS A 23 -3.395 3.046 5.607 1.00 0.00 C ATOM 352 CG LYS A 23 -4.226 3.209 4.347 1.00 0.00 C ATOM 353 CD LYS A 23 -5.125 4.433 4.427 1.00 0.00 C ATOM 354 CE LYS A 23 -5.928 4.618 3.148 1.00 0.00 C ATOM 355 NZ LYS A 23 -5.098 5.182 2.048 1.00 0.00 N ATOM 0 H LYS A 23 -3.814 0.609 5.422 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.782 2.152 4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.048 2.745 6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.968 4.011 5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.566 3.296 3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.835 2.318 4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.804 4.332 5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.519 5.320 4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.340 3.658 2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.772 5.280 3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.682 5.293 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.725 6.109 2.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.307 4.538 1.845 1.00 0.00 H new ATOM 369 N SER A 24 -1.659 2.153 7.812 1.00 0.00 N ATOM 370 CA SER A 24 -0.765 2.347 8.948 1.00 0.00 C ATOM 371 C SER A 24 0.575 1.661 8.707 1.00 0.00 C ATOM 372 O SER A 24 1.635 2.253 8.917 1.00 0.00 O ATOM 373 CB SER A 24 -1.407 1.805 10.227 1.00 0.00 C ATOM 374 OG SER A 24 -2.166 2.806 10.881 1.00 0.00 O ATOM 0 H SER A 24 -2.625 1.945 8.066 1.00 0.00 H new ATOM 0 HA SER A 24 -0.590 3.417 9.063 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.049 0.958 9.985 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.632 1.436 10.898 1.00 0.00 H new ATOM 0 HG SER A 24 -2.567 2.434 11.694 1.00 0.00 H new ATOM 380 N TYR A 25 0.522 0.410 8.264 1.00 0.00 N ATOM 381 CA TYR A 25 1.731 -0.358 7.996 1.00 0.00 C ATOM 382 C TYR A 25 2.568 0.305 6.907 1.00 0.00 C ATOM 383 O TYR A 25 3.794 0.370 7.002 1.00 0.00 O ATOM 384 CB TYR A 25 1.372 -1.786 7.581 1.00 0.00 C ATOM 385 CG TYR A 25 2.573 -2.688 7.413 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.365 -2.620 6.273 1.00 0.00 C ATOM 387 CD2 TYR A 25 2.918 -3.609 8.396 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.463 -3.444 6.115 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.015 -4.435 8.247 1.00 0.00 C ATOM 390 CZ TYR A 25 4.784 -4.349 7.106 1.00 0.00 C ATOM 391 OH TYR A 25 5.878 -5.170 6.953 1.00 0.00 O ATOM 0 H TYR A 25 -0.346 -0.094 8.083 1.00 0.00 H new ATOM 0 HA TYR A 25 2.320 -0.390 8.912 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.707 -2.216 8.330 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.818 -1.754 6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.118 -1.911 5.497 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.318 -3.680 9.291 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.066 -3.380 5.221 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.269 -5.145 9.020 1.00 0.00 H new ATOM 0 HH TYR A 25 6.445 -5.112 7.750 1.00 0.00 H new ATOM 401 N PHE A 26 1.897 0.797 5.871 1.00 0.00 N ATOM 402 CA PHE A 26 2.577 1.456 4.763 1.00 0.00 C ATOM 403 C PHE A 26 3.667 2.394 5.273 1.00 0.00 C ATOM 404 O PHE A 26 4.736 2.505 4.674 1.00 0.00 O ATOM 405 CB PHE A 26 1.573 2.237 3.912 1.00 0.00 C ATOM 406 CG PHE A 26 2.179 2.850 2.682 1.00 0.00 C ATOM 407 CD1 PHE A 26 2.768 2.054 1.714 1.00 0.00 C ATOM 408 CD2 PHE A 26 2.158 4.223 2.493 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.326 2.615 0.580 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.714 4.789 1.362 1.00 0.00 C ATOM 411 CZ PHE A 26 3.299 3.984 0.405 1.00 0.00 C ATOM 0 H PHE A 26 0.882 0.752 5.776 1.00 0.00 H new ATOM 0 HA PHE A 26 3.044 0.687 4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.764 1.570 3.615 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.129 3.025 4.520 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.792 0.982 1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.702 4.858 3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.782 1.983 -0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.691 5.860 1.227 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.735 4.425 -0.479 1.00 0.00 H new ATOM 421 N ALA A 27 3.387 3.068 6.384 1.00 0.00 N ATOM 422 CA ALA A 27 4.343 3.995 6.977 1.00 0.00 C ATOM 423 C ALA A 27 5.502 3.247 7.626 1.00 0.00 C ATOM 424 O ALA A 27 6.647 3.699 7.579 1.00 0.00 O ATOM 425 CB ALA A 27 3.650 4.887 7.997 1.00 0.00 C ATOM 0 H ALA A 27 2.506 2.989 6.891 1.00 0.00 H new ATOM 0 HA ALA A 27 4.748 4.619 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.376 5.574 8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.860 5.456 7.506 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.217 4.271 8.785 1.00 0.00 H new ATOM 431 N ILE A 28 5.199 2.104 8.231 1.00 0.00 N ATOM 432 CA ILE A 28 6.217 1.295 8.889 1.00 0.00 C ATOM 433 C ILE A 28 7.148 0.647 7.870 1.00 0.00 C ATOM 434 O ILE A 28 8.368 0.761 7.968 1.00 0.00 O ATOM 435 CB ILE A 28 5.584 0.195 9.763 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.659 0.815 10.812 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.666 -0.640 10.429 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.519 -0.088 11.223 1.00 0.00 C ATOM 0 H ILE A 28 4.256 1.717 8.279 1.00 0.00 H new ATOM 0 HA ILE A 28 6.792 1.968 9.526 1.00 0.00 H new ATOM 0 HB ILE A 28 4.990 -0.459 9.124 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.245 1.071 11.695 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.250 1.746 10.419 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.203 -1.413 11.043 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.287 -1.107 9.665 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.285 0.001 11.058 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.905 0.417 11.969 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.909 -0.324 10.351 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.919 -1.009 11.646 1.00 0.00 H new ATOM 450 N ASN A 29 6.561 -0.033 6.890 1.00 0.00 N ATOM 451 CA ASN A 29 7.338 -0.699 5.851 1.00 0.00 C ATOM 452 C ASN A 29 6.607 -0.655 4.512 1.00 0.00 C ATOM 453 O ASN A 29 5.476 -1.125 4.395 1.00 0.00 O ATOM 454 CB ASN A 29 7.616 -2.151 6.245 1.00 0.00 C ATOM 455 CG ASN A 29 8.513 -2.858 5.247 1.00 0.00 C ATOM 456 OD1 ASN A 29 8.869 -2.300 4.209 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.883 -4.097 5.558 1.00 0.00 N ATOM 0 H ASN A 29 5.551 -0.137 6.794 1.00 0.00 H new ATOM 0 HA ASN A 29 8.285 -0.170 5.745 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.083 -2.175 7.230 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.672 -2.690 6.327 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.485 -4.623 4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.564 -4.521 6.429 1.00 0.00 H new ATOM 464 N HIS A 30 7.262 -0.086 3.505 1.00 0.00 N ATOM 465 CA HIS A 30 6.676 0.020 2.174 1.00 0.00 C ATOM 466 C HIS A 30 6.704 -1.328 1.460 1.00 0.00 C ATOM 467 O HIS A 30 5.691 -1.782 0.929 1.00 0.00 O ATOM 468 CB HIS A 30 7.422 1.065 1.345 1.00 0.00 C ATOM 469 CG HIS A 30 7.771 2.302 2.115 1.00 0.00 C ATOM 470 ND1 HIS A 30 9.061 2.773 2.239 1.00 0.00 N ATOM 471 CD2 HIS A 30 6.989 3.167 2.801 1.00 0.00 C ATOM 472 CE1 HIS A 30 9.057 3.873 2.970 1.00 0.00 C ATOM 473 NE2 HIS A 30 7.812 4.135 3.323 1.00 0.00 N ATOM 0 H HIS A 30 8.199 0.309 3.586 1.00 0.00 H new ATOM 0 HA HIS A 30 5.637 0.332 2.286 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.337 0.621 0.953 1.00 0.00 H new ATOM 0 HB3 HIS A 30 6.809 1.342 0.487 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.917 3.107 2.917 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.925 4.459 3.234 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.511 4.927 3.891 1.00 0.00 H new ATOM 482 N ASN A 31 7.872 -1.963 1.449 1.00 0.00 N ATOM 483 CA ASN A 31 8.032 -3.258 0.799 1.00 0.00 C ATOM 484 C ASN A 31 8.175 -4.372 1.832 1.00 0.00 C ATOM 485 O ASN A 31 9.276 -4.825 2.144 1.00 0.00 O ATOM 486 CB ASN A 31 9.255 -3.241 -0.122 1.00 0.00 C ATOM 487 CG ASN A 31 10.522 -2.840 0.608 1.00 0.00 C ATOM 488 OD1 ASN A 31 11.296 -3.691 1.046 1.00 0.00 O ATOM 489 ND2 ASN A 31 10.740 -1.537 0.740 1.00 0.00 N ATOM 0 H ASN A 31 8.721 -1.601 1.883 1.00 0.00 H new ATOM 0 HA ASN A 31 7.139 -3.451 0.204 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.389 -4.229 -0.562 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.078 -2.548 -0.944 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.577 -1.206 1.220 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.071 -0.867 0.361 1.00 0.00 H new ATOM 496 N PRO A 32 7.035 -4.823 2.376 1.00 0.00 N ATOM 497 CA PRO A 32 7.006 -5.889 3.381 1.00 0.00 C ATOM 498 C PRO A 32 7.380 -7.247 2.797 1.00 0.00 C ATOM 499 O PRO A 32 7.326 -7.447 1.583 1.00 0.00 O ATOM 500 CB PRO A 32 5.550 -5.893 3.853 1.00 0.00 C ATOM 501 CG PRO A 32 4.779 -5.330 2.708 1.00 0.00 C ATOM 502 CD PRO A 32 5.687 -4.327 2.052 1.00 0.00 C ATOM 0 HA PRO A 32 7.727 -5.715 4.180 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.216 -6.901 4.098 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.423 -5.288 4.751 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.492 -6.114 2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.859 -4.858 3.052 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.524 -4.281 0.975 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.524 -3.322 2.442 1.00 0.00 H new ATOM 510 N ASP A 33 7.757 -8.178 3.667 1.00 0.00 N ATOM 511 CA ASP A 33 8.138 -9.518 3.236 1.00 0.00 C ATOM 512 C ASP A 33 7.030 -10.521 3.539 1.00 0.00 C ATOM 513 O ASP A 33 6.125 -10.244 4.325 1.00 0.00 O ATOM 514 CB ASP A 33 9.434 -9.949 3.925 1.00 0.00 C ATOM 515 CG ASP A 33 10.414 -8.803 4.083 1.00 0.00 C ATOM 516 OD1 ASP A 33 11.009 -8.386 3.067 1.00 0.00 O ATOM 517 OD2 ASP A 33 10.585 -8.322 5.222 1.00 0.00 O ATOM 0 H ASP A 33 7.807 -8.029 4.675 1.00 0.00 H new ATOM 0 HA ASP A 33 8.298 -9.495 2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.201 -10.362 4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.902 -10.746 3.347 1.00 0.00 H new ATOM 522 N ALA A 34 7.106 -11.689 2.907 1.00 0.00 N ATOM 523 CA ALA A 34 6.111 -12.733 3.110 1.00 0.00 C ATOM 524 C ALA A 34 5.635 -12.765 4.558 1.00 0.00 C ATOM 525 O ALA A 34 4.434 -12.807 4.827 1.00 0.00 O ATOM 526 CB ALA A 34 6.677 -14.087 2.707 1.00 0.00 C ATOM 0 H ALA A 34 7.847 -11.934 2.250 1.00 0.00 H new ATOM 0 HA ALA A 34 5.251 -12.509 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.923 -14.858 2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.959 -14.065 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.555 -14.310 3.314 1.00 0.00 H new ATOM 532 N LYS A 35 6.583 -12.747 5.488 1.00 0.00 N ATOM 533 CA LYS A 35 6.263 -12.773 6.910 1.00 0.00 C ATOM 534 C LYS A 35 5.260 -11.679 7.262 1.00 0.00 C ATOM 535 O LYS A 35 4.290 -11.920 7.981 1.00 0.00 O ATOM 536 CB LYS A 35 7.533 -12.602 7.744 1.00 0.00 C ATOM 537 CG LYS A 35 7.400 -13.115 9.168 1.00 0.00 C ATOM 538 CD LYS A 35 6.656 -12.126 10.050 1.00 0.00 C ATOM 539 CE LYS A 35 6.935 -12.373 11.524 1.00 0.00 C ATOM 540 NZ LYS A 35 8.376 -12.184 11.854 1.00 0.00 N ATOM 0 H LYS A 35 7.581 -12.714 5.282 1.00 0.00 H new ATOM 0 HA LYS A 35 5.815 -13.740 7.137 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.353 -13.126 7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.800 -11.546 7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.873 -14.069 9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.391 -13.300 9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.951 -11.110 9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.585 -12.205 9.863 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.332 -11.694 12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.632 -13.387 11.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.471 -11.924 12.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.892 -13.069 11.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.772 -11.427 11.261 1.00 0.00 H new ATOM 554 N ASP A 36 5.499 -10.477 6.749 1.00 0.00 N ATOM 555 CA ASP A 36 4.615 -9.346 7.007 1.00 0.00 C ATOM 556 C ASP A 36 3.312 -9.485 6.227 1.00 0.00 C ATOM 557 O ASP A 36 2.257 -9.033 6.673 1.00 0.00 O ATOM 558 CB ASP A 36 5.309 -8.034 6.636 1.00 0.00 C ATOM 559 CG ASP A 36 6.481 -7.721 7.546 1.00 0.00 C ATOM 560 OD1 ASP A 36 6.292 -7.730 8.781 1.00 0.00 O ATOM 561 OD2 ASP A 36 7.586 -7.465 7.024 1.00 0.00 O ATOM 0 H ASP A 36 6.297 -10.261 6.152 1.00 0.00 H new ATOM 0 HA ASP A 36 4.380 -9.336 8.071 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.658 -8.090 5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.587 -7.218 6.684 1.00 0.00 H new ATOM 566 N LEU A 37 3.393 -10.111 5.058 1.00 0.00 N ATOM 567 CA LEU A 37 2.220 -10.310 4.214 1.00 0.00 C ATOM 568 C LEU A 37 1.215 -11.240 4.887 1.00 0.00 C ATOM 569 O LEU A 37 0.056 -10.877 5.089 1.00 0.00 O ATOM 570 CB LEU A 37 2.635 -10.883 2.857 1.00 0.00 C ATOM 571 CG LEU A 37 3.170 -9.877 1.838 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.817 -10.598 0.666 1.00 0.00 C ATOM 573 CD2 LEU A 37 2.053 -8.963 1.354 1.00 0.00 C ATOM 0 H LEU A 37 4.258 -10.489 4.673 1.00 0.00 H new ATOM 0 HA LEU A 37 1.744 -9.341 4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.400 -11.642 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.774 -11.389 2.420 1.00 0.00 H new ATOM 0 HG LEU A 37 3.929 -9.264 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.192 -9.866 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.644 -11.210 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.079 -11.236 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.452 -8.253 0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.272 -9.561 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.635 -8.420 2.201 1.00 0.00 H new ATOM 585 N LYS A 38 1.668 -12.439 5.233 1.00 0.00 N ATOM 586 CA LYS A 38 0.811 -13.421 5.887 1.00 0.00 C ATOM 587 C LYS A 38 0.134 -12.821 7.115 1.00 0.00 C ATOM 588 O LYS A 38 -0.969 -13.221 7.483 1.00 0.00 O ATOM 589 CB LYS A 38 1.627 -14.651 6.293 1.00 0.00 C ATOM 590 CG LYS A 38 2.671 -14.365 7.358 1.00 0.00 C ATOM 591 CD LYS A 38 3.242 -15.648 7.938 1.00 0.00 C ATOM 592 CE LYS A 38 4.270 -15.361 9.022 1.00 0.00 C ATOM 593 NZ LYS A 38 4.341 -16.461 10.024 1.00 0.00 N ATOM 0 H LYS A 38 2.624 -12.755 5.072 1.00 0.00 H new ATOM 0 HA LYS A 38 0.039 -13.721 5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.949 -15.422 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.122 -15.055 5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.476 -13.769 6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.225 -13.771 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.435 -16.252 8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.704 -16.234 7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.250 -15.222 8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.017 -14.428 9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.053 -16.228 10.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.413 -16.577 10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.607 -17.347 9.549 1.00 0.00 H new ATOM 607 N GLN A 39 0.803 -11.859 7.742 1.00 0.00 N ATOM 608 CA GLN A 39 0.264 -11.203 8.929 1.00 0.00 C ATOM 609 C GLN A 39 -0.890 -10.276 8.561 1.00 0.00 C ATOM 610 O GLN A 39 -1.963 -10.334 9.163 1.00 0.00 O ATOM 611 CB GLN A 39 1.361 -10.413 9.644 1.00 0.00 C ATOM 612 CG GLN A 39 2.397 -11.292 10.326 1.00 0.00 C ATOM 613 CD GLN A 39 2.019 -11.640 11.752 1.00 0.00 C ATOM 614 OE1 GLN A 39 0.843 -11.831 12.066 1.00 0.00 O ATOM 615 NE2 GLN A 39 3.016 -11.725 12.624 1.00 0.00 N ATOM 0 H GLN A 39 1.718 -11.516 7.449 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.113 -11.975 9.600 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.862 -9.768 8.922 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.902 -9.762 10.388 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.522 -12.211 9.753 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.360 -10.781 10.324 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.975 -11.559 12.320 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.823 -11.957 13.598 1.00 0.00 H new ATOM 624 N LEU A 40 -0.663 -9.421 7.570 1.00 0.00 N ATOM 625 CA LEU A 40 -1.683 -8.479 7.121 1.00 0.00 C ATOM 626 C LEU A 40 -2.881 -9.216 6.531 1.00 0.00 C ATOM 627 O LEU A 40 -4.027 -8.813 6.727 1.00 0.00 O ATOM 628 CB LEU A 40 -1.099 -7.519 6.084 1.00 0.00 C ATOM 629 CG LEU A 40 -0.024 -6.556 6.592 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.579 -5.773 5.437 1.00 0.00 C ATOM 631 CD2 LEU A 40 -0.604 -5.611 7.633 1.00 0.00 C ATOM 0 H LEU A 40 0.219 -9.360 7.061 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.020 -7.907 7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.676 -8.108 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.914 -6.932 5.662 1.00 0.00 H new ATOM 0 HG LEU A 40 0.768 -7.140 7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.342 -5.093 5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.031 -6.464 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.203 -5.199 4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.175 -4.933 7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.415 -5.034 7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.988 -6.188 8.474 1.00 0.00 H new ATOM 643 N ALA A 41 -2.607 -10.298 5.809 1.00 0.00 N ATOM 644 CA ALA A 41 -3.662 -11.092 5.194 1.00 0.00 C ATOM 645 C ALA A 41 -4.720 -11.488 6.218 1.00 0.00 C ATOM 646 O ALA A 41 -5.914 -11.484 5.923 1.00 0.00 O ATOM 647 CB ALA A 41 -3.074 -12.331 4.535 1.00 0.00 C ATOM 0 H ALA A 41 -1.663 -10.644 5.636 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.144 -10.481 4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.874 -12.915 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.361 -12.031 3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.565 -12.936 5.286 1.00 0.00 H new ATOM 653 N GLN A 42 -4.272 -11.830 7.423 1.00 0.00 N ATOM 654 CA GLN A 42 -5.182 -12.228 8.490 1.00 0.00 C ATOM 655 C GLN A 42 -5.780 -11.008 9.180 1.00 0.00 C ATOM 656 O GLN A 42 -6.997 -10.902 9.335 1.00 0.00 O ATOM 657 CB GLN A 42 -4.451 -13.100 9.512 1.00 0.00 C ATOM 658 CG GLN A 42 -3.977 -14.431 8.949 1.00 0.00 C ATOM 659 CD GLN A 42 -3.779 -15.481 10.023 1.00 0.00 C ATOM 660 OE1 GLN A 42 -4.702 -15.801 10.773 1.00 0.00 O ATOM 661 NE2 GLN A 42 -2.571 -16.026 10.104 1.00 0.00 N ATOM 0 H GLN A 42 -3.286 -11.839 7.684 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.994 -12.804 8.045 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.591 -12.551 9.897 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.114 -13.288 10.357 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.704 -14.793 8.222 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.039 -14.282 8.415 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.835 -15.732 9.463 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.379 -16.739 10.808 1.00 0.00 H new ATOM 670 N LYS A 43 -4.917 -10.086 9.595 1.00 0.00 N ATOM 671 CA LYS A 43 -5.359 -8.871 10.269 1.00 0.00 C ATOM 672 C LYS A 43 -6.470 -8.185 9.481 1.00 0.00 C ATOM 673 O LYS A 43 -7.367 -7.571 10.059 1.00 0.00 O ATOM 674 CB LYS A 43 -4.182 -7.910 10.455 1.00 0.00 C ATOM 675 CG LYS A 43 -3.254 -8.298 11.592 1.00 0.00 C ATOM 676 CD LYS A 43 -2.521 -7.090 12.150 1.00 0.00 C ATOM 677 CE LYS A 43 -1.386 -6.655 11.236 1.00 0.00 C ATOM 678 NZ LYS A 43 -0.578 -5.557 11.837 1.00 0.00 N ATOM 0 H LYS A 43 -3.907 -10.158 9.476 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.751 -9.150 11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.609 -7.867 9.529 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.568 -6.907 10.638 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.829 -8.774 12.386 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.530 -9.032 11.238 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.222 -6.265 12.279 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.124 -7.328 13.137 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.741 -7.508 11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.795 -6.324 10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.185 -5.289 11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.188 -4.733 12.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.166 -5.881 12.735 1.00 0.00 H new ATOM 692 N THR A 44 -6.406 -8.296 8.158 1.00 0.00 N ATOM 693 CA THR A 44 -7.407 -7.686 7.290 1.00 0.00 C ATOM 694 C THR A 44 -8.327 -8.742 6.689 1.00 0.00 C ATOM 695 O THR A 44 -9.508 -8.487 6.449 1.00 0.00 O ATOM 696 CB THR A 44 -6.750 -6.884 6.151 1.00 0.00 C ATOM 697 OG1 THR A 44 -6.093 -7.773 5.242 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.746 -5.883 6.704 1.00 0.00 C ATOM 0 H THR A 44 -5.672 -8.803 7.664 1.00 0.00 H new ATOM 0 HA THR A 44 -7.993 -7.007 7.910 1.00 0.00 H new ATOM 0 HB THR A 44 -7.531 -6.338 5.623 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.331 -8.195 5.691 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.295 -5.328 5.881 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.255 -5.189 7.374 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.968 -6.413 7.254 1.00 0.00 H new ATOM 706 N GLY A 45 -7.780 -9.928 6.445 1.00 0.00 N ATOM 707 CA GLY A 45 -8.568 -11.004 5.872 1.00 0.00 C ATOM 708 C GLY A 45 -8.300 -11.196 4.392 1.00 0.00 C ATOM 709 O GLY A 45 -8.447 -12.299 3.865 1.00 0.00 O ATOM 0 H GLY A 45 -6.806 -10.164 6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.349 -11.932 6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.627 -10.794 6.022 1.00 0.00 H new ATOM 713 N LEU A 46 -7.905 -10.120 3.721 1.00 0.00 N ATOM 714 CA LEU A 46 -7.617 -10.173 2.291 1.00 0.00 C ATOM 715 C LEU A 46 -6.597 -11.265 1.983 1.00 0.00 C ATOM 716 O LEU A 46 -5.985 -11.834 2.887 1.00 0.00 O ATOM 717 CB LEU A 46 -7.096 -8.820 1.805 1.00 0.00 C ATOM 718 CG LEU A 46 -7.970 -7.608 2.130 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.216 -6.317 1.854 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.264 -7.655 1.329 1.00 0.00 C ATOM 0 H LEU A 46 -7.777 -9.200 4.143 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.543 -10.407 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.109 -8.657 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.967 -8.870 0.724 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.221 -7.638 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.854 -5.465 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.318 -6.281 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.935 -6.278 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.874 -6.785 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.033 -7.650 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.812 -8.564 1.577 1.00 0.00 H new ATOM 732 N THR A 47 -6.417 -11.553 0.697 1.00 0.00 N ATOM 733 CA THR A 47 -5.471 -12.575 0.267 1.00 0.00 C ATOM 734 C THR A 47 -4.066 -12.000 0.130 1.00 0.00 C ATOM 735 O THR A 47 -3.870 -10.787 0.202 1.00 0.00 O ATOM 736 CB THR A 47 -5.891 -13.200 -1.076 1.00 0.00 C ATOM 737 OG1 THR A 47 -5.777 -12.232 -2.124 1.00 0.00 O ATOM 738 CG2 THR A 47 -7.321 -13.716 -1.009 1.00 0.00 C ATOM 0 H THR A 47 -6.915 -11.092 -0.065 1.00 0.00 H new ATOM 0 HA THR A 47 -5.471 -13.349 1.035 1.00 0.00 H new ATOM 0 HB THR A 47 -5.228 -14.040 -1.284 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.105 -12.618 -2.963 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.595 -14.153 -1.969 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.398 -14.474 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.995 -12.891 -0.780 1.00 0.00 H new ATOM 746 N LYS A 48 -3.090 -12.878 -0.070 1.00 0.00 N ATOM 747 CA LYS A 48 -1.702 -12.460 -0.220 1.00 0.00 C ATOM 748 C LYS A 48 -1.548 -11.494 -1.391 1.00 0.00 C ATOM 749 O LYS A 48 -1.028 -10.389 -1.233 1.00 0.00 O ATOM 750 CB LYS A 48 -0.799 -13.677 -0.428 1.00 0.00 C ATOM 751 CG LYS A 48 0.668 -13.403 -0.144 1.00 0.00 C ATOM 752 CD LYS A 48 1.014 -13.676 1.310 1.00 0.00 C ATOM 753 CE LYS A 48 1.202 -15.162 1.570 1.00 0.00 C ATOM 754 NZ LYS A 48 1.269 -15.466 3.026 1.00 0.00 N ATOM 0 H LYS A 48 -3.235 -13.886 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.404 -11.947 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.140 -14.486 0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.903 -14.024 -1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.287 -14.026 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.899 -12.365 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.926 -13.141 1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.222 -13.291 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.378 -15.716 1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.117 -15.503 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.170 -15.940 3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.206 -14.581 3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.479 -16.090 3.287 1.00 0.00 H new ATOM 768 N ARG A 49 -2.005 -11.917 -2.565 1.00 0.00 N ATOM 769 CA ARG A 49 -1.920 -11.089 -3.762 1.00 0.00 C ATOM 770 C ARG A 49 -2.568 -9.728 -3.529 1.00 0.00 C ATOM 771 O ARG A 49 -1.932 -8.688 -3.703 1.00 0.00 O ATOM 772 CB ARG A 49 -2.592 -11.792 -4.943 1.00 0.00 C ATOM 773 CG ARG A 49 -2.512 -11.008 -6.243 1.00 0.00 C ATOM 774 CD ARG A 49 -1.192 -11.252 -6.959 1.00 0.00 C ATOM 775 NE ARG A 49 -1.114 -12.597 -7.522 1.00 0.00 N ATOM 776 CZ ARG A 49 0.017 -13.159 -7.930 1.00 0.00 C ATOM 777 NH1 ARG A 49 1.162 -12.494 -7.839 1.00 0.00 N ATOM 778 NH2 ARG A 49 0.007 -14.387 -8.430 1.00 0.00 N ATOM 0 H ARG A 49 -2.438 -12.829 -2.713 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.866 -10.935 -3.993 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.127 -12.767 -5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.639 -11.971 -4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.339 -11.294 -6.893 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.623 -9.944 -6.035 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.071 -10.518 -7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.368 -11.103 -6.261 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.977 -13.135 -7.606 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.174 -11.549 -7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.030 -12.928 -8.153 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.871 -14.901 -8.502 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.877 -14.817 -8.743 1.00 0.00 H new ATOM 792 N VAL A 50 -3.838 -9.742 -3.136 1.00 0.00 N ATOM 793 CA VAL A 50 -4.572 -8.509 -2.879 1.00 0.00 C ATOM 794 C VAL A 50 -3.701 -7.491 -2.152 1.00 0.00 C ATOM 795 O VAL A 50 -3.586 -6.341 -2.576 1.00 0.00 O ATOM 796 CB VAL A 50 -5.838 -8.774 -2.044 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.570 -7.473 -1.755 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.751 -9.762 -2.758 1.00 0.00 C ATOM 0 H VAL A 50 -4.380 -10.594 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.863 -8.106 -3.849 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.538 -9.213 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.462 -7.681 -1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.915 -6.802 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.859 -7.002 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.641 -9.938 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.044 -9.353 -3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.222 -10.703 -2.907 1.00 0.00 H new ATOM 808 N LEU A 51 -3.087 -7.923 -1.056 1.00 0.00 N ATOM 809 CA LEU A 51 -2.223 -7.049 -0.269 1.00 0.00 C ATOM 810 C LEU A 51 -1.034 -6.570 -1.095 1.00 0.00 C ATOM 811 O LEU A 51 -0.787 -5.369 -1.205 1.00 0.00 O ATOM 812 CB LEU A 51 -1.729 -7.779 0.981 1.00 0.00 C ATOM 813 CG LEU A 51 -2.812 -8.290 1.933 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.258 -9.380 2.837 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.376 -7.144 2.761 1.00 0.00 C ATOM 0 H LEU A 51 -3.171 -8.872 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.806 -6.179 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.121 -8.627 0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.074 -7.106 1.535 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.620 -8.716 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.043 -9.731 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.902 -10.211 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.431 -8.980 3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.145 -7.525 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.576 -6.689 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.811 -6.396 2.098 1.00 0.00 H new ATOM 827 N GLN A 52 -0.303 -7.517 -1.675 1.00 0.00 N ATOM 828 CA GLN A 52 0.859 -7.190 -2.492 1.00 0.00 C ATOM 829 C GLN A 52 0.535 -6.071 -3.477 1.00 0.00 C ATOM 830 O GLN A 52 1.205 -5.039 -3.502 1.00 0.00 O ATOM 831 CB GLN A 52 1.340 -8.428 -3.251 1.00 0.00 C ATOM 832 CG GLN A 52 1.957 -9.489 -2.354 1.00 0.00 C ATOM 833 CD GLN A 52 3.024 -10.302 -3.061 1.00 0.00 C ATOM 834 OE1 GLN A 52 4.218 -10.031 -2.928 1.00 0.00 O ATOM 835 NE2 GLN A 52 2.598 -11.307 -3.818 1.00 0.00 N ATOM 0 H GLN A 52 -0.495 -8.516 -1.594 1.00 0.00 H new ATOM 0 HA GLN A 52 1.653 -6.847 -1.828 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.498 -8.864 -3.789 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.073 -8.124 -3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.392 -9.010 -1.477 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.174 -10.157 -1.996 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.599 -11.496 -3.900 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.270 -11.890 -4.317 1.00 0.00 H new ATOM 844 N VAL A 53 -0.498 -6.282 -4.285 1.00 0.00 N ATOM 845 CA VAL A 53 -0.912 -5.290 -5.272 1.00 0.00 C ATOM 846 C VAL A 53 -1.250 -3.961 -4.607 1.00 0.00 C ATOM 847 O VAL A 53 -0.646 -2.933 -4.910 1.00 0.00 O ATOM 848 CB VAL A 53 -2.133 -5.774 -6.076 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.592 -4.700 -7.050 1.00 0.00 C ATOM 850 CG2 VAL A 53 -1.809 -7.067 -6.811 1.00 0.00 C ATOM 0 H VAL A 53 -1.064 -7.130 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.071 -5.150 -5.951 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.948 -5.972 -5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.456 -5.061 -7.609 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.867 -3.801 -6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.783 -4.467 -7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.683 -7.394 -7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.979 -6.898 -7.496 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.533 -7.836 -6.090 1.00 0.00 H new ATOM 860 N TRP A 54 -2.218 -3.991 -3.697 1.00 0.00 N ATOM 861 CA TRP A 54 -2.636 -2.787 -2.987 1.00 0.00 C ATOM 862 C TRP A 54 -1.429 -1.950 -2.577 1.00 0.00 C ATOM 863 O TRP A 54 -1.337 -0.770 -2.914 1.00 0.00 O ATOM 864 CB TRP A 54 -3.458 -3.159 -1.752 1.00 0.00 C ATOM 865 CG TRP A 54 -3.851 -1.973 -0.922 1.00 0.00 C ATOM 866 CD1 TRP A 54 -5.018 -1.270 -1.000 1.00 0.00 C ATOM 867 CD2 TRP A 54 -3.075 -1.355 0.109 1.00 0.00 C ATOM 868 NE1 TRP A 54 -5.015 -0.251 -0.079 1.00 0.00 N ATOM 869 CE2 TRP A 54 -3.835 -0.281 0.614 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.814 -1.603 0.657 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.372 0.540 1.639 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.356 -0.787 1.673 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.134 0.274 2.156 1.00 0.00 C ATOM 0 H TRP A 54 -2.727 -4.835 -3.434 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.254 -2.193 -3.661 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.358 -3.687 -2.068 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.883 -3.850 -1.136 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.825 -1.483 -1.685 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.770 0.420 0.065 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.208 -2.419 0.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.970 1.358 2.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.382 -0.970 2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.748 0.894 2.952 1.00 0.00 H new ATOM 884 N PHE A 55 -0.506 -2.568 -1.849 1.00 0.00 N ATOM 885 CA PHE A 55 0.696 -1.879 -1.392 1.00 0.00 C ATOM 886 C PHE A 55 1.452 -1.267 -2.568 1.00 0.00 C ATOM 887 O PHE A 55 1.660 -0.055 -2.621 1.00 0.00 O ATOM 888 CB PHE A 55 1.607 -2.845 -0.633 1.00 0.00 C ATOM 889 CG PHE A 55 1.329 -2.897 0.843 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.406 -3.795 1.356 1.00 0.00 C ATOM 891 CD2 PHE A 55 1.990 -2.049 1.716 1.00 0.00 C ATOM 892 CE1 PHE A 55 0.148 -3.846 2.712 1.00 0.00 C ATOM 893 CE2 PHE A 55 1.737 -2.096 3.074 1.00 0.00 C ATOM 894 CZ PHE A 55 0.814 -2.994 3.573 1.00 0.00 C ATOM 0 H PHE A 55 -0.567 -3.545 -1.562 1.00 0.00 H new ATOM 0 HA PHE A 55 0.391 -1.076 -0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.492 -3.845 -1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.645 -2.551 -0.789 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.118 -4.463 0.688 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.711 -1.343 1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.573 -4.551 3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.261 -1.431 3.745 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.613 -3.030 4.634 1.00 0.00 H new ATOM 904 N GLN A 56 1.860 -2.114 -3.506 1.00 0.00 N ATOM 905 CA GLN A 56 2.594 -1.657 -4.681 1.00 0.00 C ATOM 906 C GLN A 56 1.917 -0.443 -5.307 1.00 0.00 C ATOM 907 O GLN A 56 2.578 0.521 -5.690 1.00 0.00 O ATOM 908 CB GLN A 56 2.703 -2.783 -5.710 1.00 0.00 C ATOM 909 CG GLN A 56 3.842 -3.751 -5.434 1.00 0.00 C ATOM 910 CD GLN A 56 5.178 -3.051 -5.274 1.00 0.00 C ATOM 911 OE1 GLN A 56 5.787 -2.621 -6.254 1.00 0.00 O ATOM 912 NE2 GLN A 56 5.639 -2.932 -4.036 1.00 0.00 N ATOM 0 H GLN A 56 1.695 -3.120 -3.476 1.00 0.00 H new ATOM 0 HA GLN A 56 3.596 -1.367 -4.363 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.764 -3.336 -5.732 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.839 -2.347 -6.700 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.622 -4.316 -4.528 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.908 -4.470 -6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.101 -3.303 -3.253 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.532 -2.469 -3.867 1.00 0.00 H new ATOM 921 N ASN A 57 0.592 -0.497 -5.410 1.00 0.00 N ATOM 922 CA ASN A 57 -0.175 0.597 -5.992 1.00 0.00 C ATOM 923 C ASN A 57 0.062 1.895 -5.226 1.00 0.00 C ATOM 924 O ASN A 57 0.211 2.961 -5.822 1.00 0.00 O ATOM 925 CB ASN A 57 -1.668 0.258 -5.993 1.00 0.00 C ATOM 926 CG ASN A 57 -2.096 -0.460 -7.258 1.00 0.00 C ATOM 927 OD1 ASN A 57 -1.414 -0.398 -8.282 1.00 0.00 O ATOM 928 ND2 ASN A 57 -3.231 -1.145 -7.194 1.00 0.00 N ATOM 0 H ASN A 57 0.028 -1.287 -5.098 1.00 0.00 H new ATOM 0 HA ASN A 57 0.160 0.735 -7.020 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.897 -0.366 -5.129 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.246 1.176 -5.886 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.570 -1.648 -8.014 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.764 -1.169 -6.325 1.00 0.00 H new ATOM 935 N ALA A 58 0.096 1.795 -3.901 1.00 0.00 N ATOM 936 CA ALA A 58 0.318 2.960 -3.054 1.00 0.00 C ATOM 937 C ALA A 58 1.559 3.731 -3.493 1.00 0.00 C ATOM 938 O ALA A 58 1.473 4.899 -3.874 1.00 0.00 O ATOM 939 CB ALA A 58 0.445 2.537 -1.597 1.00 0.00 C ATOM 0 H ALA A 58 -0.027 0.920 -3.392 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.543 3.621 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.611 3.417 -0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.471 2.038 -1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.287 1.853 -1.489 1.00 0.00 H new ATOM 945 N ARG A 59 2.710 3.071 -3.436 1.00 0.00 N ATOM 946 CA ARG A 59 3.969 3.695 -3.827 1.00 0.00 C ATOM 947 C ARG A 59 3.786 4.553 -5.075 1.00 0.00 C ATOM 948 O ARG A 59 4.305 5.666 -5.157 1.00 0.00 O ATOM 949 CB ARG A 59 5.035 2.628 -4.081 1.00 0.00 C ATOM 950 CG ARG A 59 5.407 1.832 -2.840 1.00 0.00 C ATOM 951 CD ARG A 59 6.636 0.970 -3.080 1.00 0.00 C ATOM 952 NE ARG A 59 7.849 1.772 -3.218 1.00 0.00 N ATOM 953 CZ ARG A 59 8.952 1.339 -3.818 1.00 0.00 C ATOM 954 NH1 ARG A 59 8.995 0.119 -4.333 1.00 0.00 N ATOM 955 NH2 ARG A 59 10.015 2.129 -3.904 1.00 0.00 N ATOM 0 H ARG A 59 2.798 2.104 -3.123 1.00 0.00 H new ATOM 0 HA ARG A 59 4.296 4.338 -3.010 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.675 1.942 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.930 3.108 -4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.596 2.515 -2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.569 1.200 -2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.756 0.271 -2.252 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.491 0.375 -3.981 1.00 0.00 H new ATOM 0 HE ARG A 59 7.849 2.716 -2.832 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.180 -0.490 -4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.843 -0.211 -4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.985 3.069 -3.509 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.862 1.796 -4.365 1.00 0.00 H new ATOM 969 N ALA A 60 3.044 4.028 -6.045 1.00 0.00 N ATOM 970 CA ALA A 60 2.791 4.745 -7.288 1.00 0.00 C ATOM 971 C ALA A 60 1.924 5.975 -7.045 1.00 0.00 C ATOM 972 O ALA A 60 2.222 7.065 -7.533 1.00 0.00 O ATOM 973 CB ALA A 60 2.133 3.825 -8.305 1.00 0.00 C ATOM 0 H ALA A 60 2.607 3.108 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 60 3.749 5.081 -7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.950 4.375 -9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.790 2.980 -8.510 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.186 3.460 -7.907 1.00 0.00 H new ATOM 979 N LYS A 61 0.847 5.794 -6.287 1.00 0.00 N ATOM 980 CA LYS A 61 -0.065 6.889 -5.978 1.00 0.00 C ATOM 981 C LYS A 61 0.661 8.013 -5.248 1.00 0.00 C ATOM 982 O LYS A 61 0.530 9.185 -5.603 1.00 0.00 O ATOM 983 CB LYS A 61 -1.232 6.383 -5.126 1.00 0.00 C ATOM 984 CG LYS A 61 -2.495 7.213 -5.269 1.00 0.00 C ATOM 985 CD LYS A 61 -3.660 6.592 -4.516 1.00 0.00 C ATOM 986 CE LYS A 61 -3.574 6.878 -3.024 1.00 0.00 C ATOM 987 NZ LYS A 61 -3.760 8.325 -2.726 1.00 0.00 N ATOM 0 H LYS A 61 0.585 4.898 -5.875 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.453 7.282 -6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.452 5.352 -5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.929 6.375 -4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.314 8.220 -4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.752 7.307 -6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.599 6.983 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.669 5.515 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.333 6.298 -2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.605 6.551 -2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.048 8.441 -1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.866 8.831 -2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.496 8.716 -3.348 1.00 0.00 H new ATOM 1001 N PHE A 62 1.431 7.649 -4.228 1.00 0.00 N ATOM 1002 CA PHE A 62 2.180 8.628 -3.448 1.00 0.00 C ATOM 1003 C PHE A 62 2.989 9.545 -4.359 1.00 0.00 C ATOM 1004 O PHE A 62 2.919 10.769 -4.247 1.00 0.00 O ATOM 1005 CB PHE A 62 3.111 7.920 -2.461 1.00 0.00 C ATOM 1006 CG PHE A 62 3.525 8.783 -1.303 1.00 0.00 C ATOM 1007 CD1 PHE A 62 4.330 9.893 -1.502 1.00 0.00 C ATOM 1008 CD2 PHE A 62 3.107 8.484 -0.016 1.00 0.00 C ATOM 1009 CE1 PHE A 62 4.713 10.687 -0.438 1.00 0.00 C ATOM 1010 CE2 PHE A 62 3.486 9.276 1.052 1.00 0.00 C ATOM 1011 CZ PHE A 62 4.289 10.380 0.841 1.00 0.00 C ATOM 0 H PHE A 62 1.553 6.684 -3.922 1.00 0.00 H new ATOM 0 HA PHE A 62 1.466 9.236 -2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.613 7.029 -2.080 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.003 7.585 -2.991 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.662 10.140 -2.500 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.478 7.623 0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.344 11.547 -0.606 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.155 9.032 2.050 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.585 11.002 1.673 1.00 0.00 H new ATOM 1021 N ARG A 63 3.757 8.945 -5.262 1.00 0.00 N ATOM 1022 CA ARG A 63 4.582 9.707 -6.193 1.00 0.00 C ATOM 1023 C ARG A 63 3.879 10.996 -6.610 1.00 0.00 C ATOM 1024 O ARG A 63 4.415 12.090 -6.434 1.00 0.00 O ATOM 1025 CB ARG A 63 4.903 8.866 -7.429 1.00 0.00 C ATOM 1026 CG ARG A 63 5.947 7.789 -7.178 1.00 0.00 C ATOM 1027 CD ARG A 63 6.719 7.454 -8.445 1.00 0.00 C ATOM 1028 NE ARG A 63 7.623 6.324 -8.253 1.00 0.00 N ATOM 1029 CZ ARG A 63 8.069 5.563 -9.245 1.00 0.00 C ATOM 1030 NH1 ARG A 63 7.698 5.812 -10.494 1.00 0.00 N ATOM 1031 NH2 ARG A 63 8.890 4.552 -8.991 1.00 0.00 N ATOM 0 H ARG A 63 3.826 7.933 -5.369 1.00 0.00 H new ATOM 0 HA ARG A 63 5.512 9.967 -5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.987 8.396 -7.786 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.255 9.523 -8.224 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.640 8.125 -6.407 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.460 6.890 -6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.017 7.224 -9.247 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.291 8.326 -8.762 1.00 0.00 H new ATOM 0 HE ARG A 63 7.929 6.107 -7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.069 6.590 -10.694 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.042 5.226 -11.255 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.179 4.359 -8.032 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.232 3.968 -9.755 1.00 0.00 H new ATOM 1045 N ARG A 64 2.680 10.858 -7.164 1.00 0.00 N ATOM 1046 CA ARG A 64 1.906 12.011 -7.608 1.00 0.00 C ATOM 1047 C ARG A 64 1.824 13.067 -6.510 1.00 0.00 C ATOM 1048 O ARG A 64 2.214 14.216 -6.711 1.00 0.00 O ATOM 1049 CB ARG A 64 0.497 11.578 -8.020 1.00 0.00 C ATOM 1050 CG ARG A 64 -0.367 12.721 -8.526 1.00 0.00 C ATOM 1051 CD ARG A 64 -1.846 12.370 -8.469 1.00 0.00 C ATOM 1052 NE ARG A 64 -2.678 13.406 -9.073 1.00 0.00 N ATOM 1053 CZ ARG A 64 -3.997 13.306 -9.201 1.00 0.00 C ATOM 1054 NH1 ARG A 64 -4.629 12.224 -8.769 1.00 0.00 N ATOM 1055 NH2 ARG A 64 -4.686 14.291 -9.763 1.00 0.00 N ATOM 0 H ARG A 64 2.223 9.959 -7.316 1.00 0.00 H new ATOM 0 HA ARG A 64 2.412 12.446 -8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.572 10.818 -8.798 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.005 11.112 -7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.180 13.612 -7.927 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.089 12.962 -9.552 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.014 11.424 -8.984 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.144 12.225 -7.431 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.223 14.252 -9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.103 11.465 -8.337 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.641 12.151 -8.869 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.203 15.125 -10.097 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.698 14.214 -9.861 1.00 0.00 H new ATOM 1069 N ASN A 65 1.316 12.667 -5.349 1.00 0.00 N ATOM 1070 CA ASN A 65 1.182 13.579 -4.219 1.00 0.00 C ATOM 1071 C ASN A 65 2.528 14.202 -3.861 1.00 0.00 C ATOM 1072 O ASN A 65 2.595 15.172 -3.104 1.00 0.00 O ATOM 1073 CB ASN A 65 0.610 12.843 -3.007 1.00 0.00 C ATOM 1074 CG ASN A 65 -0.863 12.517 -3.171 1.00 0.00 C ATOM 1075 OD1 ASN A 65 -1.477 12.859 -4.182 1.00 0.00 O ATOM 1076 ND2 ASN A 65 -1.436 11.853 -2.174 1.00 0.00 N ATOM 0 H ASN A 65 0.990 11.718 -5.166 1.00 0.00 H new ATOM 0 HA ASN A 65 0.497 14.376 -4.507 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.168 11.920 -2.849 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.747 13.455 -2.116 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.424 11.606 -2.227 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.888 11.590 -1.355 1.00 0.00 H new ATOM 1083 N LEU A 66 3.598 13.639 -4.409 1.00 0.00 N ATOM 1084 CA LEU A 66 4.944 14.138 -4.148 1.00 0.00 C ATOM 1085 C LEU A 66 5.220 15.406 -4.951 1.00 0.00 C ATOM 1086 O LEU A 66 5.762 16.380 -4.428 1.00 0.00 O ATOM 1087 CB LEU A 66 5.983 13.069 -4.491 1.00 0.00 C ATOM 1088 CG LEU A 66 7.272 13.098 -3.671 1.00 0.00 C ATOM 1089 CD1 LEU A 66 7.632 14.526 -3.293 1.00 0.00 C ATOM 1090 CD2 LEU A 66 7.132 12.233 -2.425 1.00 0.00 C ATOM 0 H LEU A 66 3.561 12.836 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 66 5.015 14.378 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.521 12.089 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.244 13.170 -5.544 1.00 0.00 H new ATOM 0 HG LEU A 66 8.078 12.692 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.553 14.527 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.775 15.117 -4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.826 14.960 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.059 12.266 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.314 12.609 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.922 11.204 -2.718 1.00 0.00 H new ATOM 1102 N LEU A 67 4.841 15.388 -6.224 1.00 0.00 N ATOM 1103 CA LEU A 67 5.044 16.537 -7.099 1.00 0.00 C ATOM 1104 C LEU A 67 3.878 17.515 -6.994 1.00 0.00 C ATOM 1105 O LEU A 67 4.029 18.707 -7.260 1.00 0.00 O ATOM 1106 CB LEU A 67 5.209 16.076 -8.549 1.00 0.00 C ATOM 1107 CG LEU A 67 4.482 14.786 -8.929 1.00 0.00 C ATOM 1108 CD1 LEU A 67 4.151 14.778 -10.413 1.00 0.00 C ATOM 1109 CD2 LEU A 67 5.323 13.572 -8.562 1.00 0.00 C ATOM 0 H LEU A 67 4.391 14.590 -6.673 1.00 0.00 H new ATOM 0 HA LEU A 67 5.952 17.048 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.859 16.873 -9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.272 15.943 -8.748 1.00 0.00 H new ATOM 0 HG LEU A 67 3.548 14.739 -8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.634 13.852 -10.665 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.510 15.628 -10.647 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.072 14.848 -10.992 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.790 12.663 -8.840 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.273 13.613 -9.095 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.509 13.570 -7.488 1.00 0.00 H new ATOM 1121 N ARG A 68 2.715 17.002 -6.603 1.00 0.00 N ATOM 1122 CA ARG A 68 1.524 17.831 -6.462 1.00 0.00 C ATOM 1123 C ARG A 68 1.685 18.823 -5.314 1.00 0.00 C ATOM 1124 O ARG A 68 1.743 18.431 -4.148 1.00 0.00 O ATOM 1125 CB ARG A 68 0.294 16.954 -6.226 1.00 0.00 C ATOM 1126 CG ARG A 68 -1.020 17.716 -6.298 1.00 0.00 C ATOM 1127 CD ARG A 68 -2.213 16.784 -6.165 1.00 0.00 C ATOM 1128 NE ARG A 68 -3.479 17.480 -6.377 1.00 0.00 N ATOM 1129 CZ ARG A 68 -4.651 16.862 -6.478 1.00 0.00 C ATOM 1130 NH1 ARG A 68 -4.717 15.541 -6.384 1.00 0.00 N ATOM 1131 NH2 ARG A 68 -5.759 17.566 -6.670 1.00 0.00 N ATOM 0 H ARG A 68 2.573 16.017 -6.379 1.00 0.00 H new ATOM 0 HA ARG A 68 1.389 18.393 -7.386 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.281 16.154 -6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.377 16.482 -5.247 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.052 18.464 -5.506 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.080 18.252 -7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.121 15.972 -6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.210 16.331 -5.174 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.463 18.497 -6.452 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.867 14.997 -6.234 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.618 15.069 -6.462 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.712 18.582 -6.740 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.658 17.091 -6.747 1.00 0.00 H new ATOM 1145 N GLN A 69 1.755 20.105 -5.652 1.00 0.00 N ATOM 1146 CA GLN A 69 1.910 21.153 -4.649 1.00 0.00 C ATOM 1147 C GLN A 69 0.649 21.286 -3.802 1.00 0.00 C ATOM 1148 O GLN A 69 -0.413 21.649 -4.307 1.00 0.00 O ATOM 1149 CB GLN A 69 2.231 22.489 -5.321 1.00 0.00 C ATOM 1150 CG GLN A 69 3.676 22.610 -5.776 1.00 0.00 C ATOM 1151 CD GLN A 69 3.969 23.939 -6.443 1.00 0.00 C ATOM 1152 OE1 GLN A 69 4.740 24.749 -5.926 1.00 0.00 O ATOM 1153 NE2 GLN A 69 3.354 24.173 -7.595 1.00 0.00 N ATOM 0 H GLN A 69 1.707 20.444 -6.613 1.00 0.00 H new ATOM 0 HA GLN A 69 2.737 20.876 -3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.576 22.620 -6.182 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.009 23.298 -4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.335 22.486 -4.917 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.903 21.801 -6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.723 23.474 -7.988 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.512 25.052 -8.088 1.00 0.00 H new ATOM 1162 N GLU A 70 0.773 20.987 -2.513 1.00 0.00 N ATOM 1163 CA GLU A 70 -0.358 21.074 -1.596 1.00 0.00 C ATOM 1164 C GLU A 70 -0.553 22.505 -1.105 1.00 0.00 C ATOM 1165 O GLU A 70 0.412 23.246 -0.921 1.00 0.00 O ATOM 1166 CB GLU A 70 -0.149 20.138 -0.404 1.00 0.00 C ATOM 1167 CG GLU A 70 -1.262 20.209 0.627 1.00 0.00 C ATOM 1168 CD GLU A 70 -1.228 19.048 1.602 1.00 0.00 C ATOM 1169 OE1 GLU A 70 -0.309 19.011 2.448 1.00 0.00 O ATOM 1170 OE2 GLU A 70 -2.120 18.177 1.520 1.00 0.00 O ATOM 0 H GLU A 70 1.645 20.682 -2.080 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.254 20.769 -2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.066 19.114 -0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.798 20.383 0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.181 21.145 1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.225 20.222 0.117 1.00 0.00 H new ATOM 1177 N ASN A 71 -1.809 22.886 -0.895 1.00 0.00 N ATOM 1178 CA ASN A 71 -2.132 24.229 -0.426 1.00 0.00 C ATOM 1179 C ASN A 71 -1.235 24.627 0.742 1.00 0.00 C ATOM 1180 O ASN A 71 -0.778 23.778 1.505 1.00 0.00 O ATOM 1181 CB ASN A 71 -3.601 24.306 -0.006 1.00 0.00 C ATOM 1182 CG ASN A 71 -4.051 23.069 0.748 1.00 0.00 C ATOM 1183 OD1 ASN A 71 -4.399 22.053 0.144 1.00 0.00 O ATOM 1184 ND2 ASN A 71 -4.048 23.149 2.073 1.00 0.00 N ATOM 0 H ASN A 71 -2.619 22.284 -1.042 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.960 24.925 -1.247 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.752 25.185 0.620 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.223 24.435 -0.892 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.342 22.349 2.633 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.752 24.011 2.531 1.00 0.00 H new ATOM 1191 N GLY A 72 -0.989 25.927 0.875 1.00 0.00 N ATOM 1192 CA GLY A 72 -0.149 26.416 1.953 1.00 0.00 C ATOM 1193 C GLY A 72 -0.237 27.920 2.121 1.00 0.00 C ATOM 1194 O GLY A 72 -0.369 28.421 3.237 1.00 0.00 O ATOM 0 H GLY A 72 -1.356 26.650 0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.441 25.932 2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.886 26.135 1.759 1.00 0.00 H new ATOM 1198 N GLY A 73 -0.162 28.643 1.008 1.00 0.00 N ATOM 1199 CA GLY A 73 -0.235 30.092 1.059 1.00 0.00 C ATOM 1200 C GLY A 73 -0.230 30.722 -0.320 1.00 0.00 C ATOM 1201 O GLY A 73 0.734 31.384 -0.704 1.00 0.00 O ATOM 0 H GLY A 73 -0.052 28.252 0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.141 30.389 1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.609 30.475 1.633 1.00 0.00 H new ATOM 1205 N VAL A 74 -1.309 30.514 -1.068 1.00 0.00 N ATOM 1206 CA VAL A 74 -1.425 31.065 -2.412 1.00 0.00 C ATOM 1207 C VAL A 74 -2.804 30.791 -3.002 1.00 0.00 C ATOM 1208 O VAL A 74 -3.272 29.652 -3.007 1.00 0.00 O ATOM 1209 CB VAL A 74 -0.352 30.484 -3.352 1.00 0.00 C ATOM 1210 CG1 VAL A 74 -0.448 28.966 -3.399 1.00 0.00 C ATOM 1211 CG2 VAL A 74 -0.487 31.078 -4.746 1.00 0.00 C ATOM 0 H VAL A 74 -2.115 29.968 -0.765 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.277 32.142 -2.326 1.00 0.00 H new ATOM 0 HB VAL A 74 0.630 30.750 -2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.318 28.574 -4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.298 28.561 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.433 28.675 -3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.279 30.656 -5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.473 30.844 -5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.364 32.160 -4.694 1.00 0.00 H new ATOM 1221 N SER A 75 -3.448 31.841 -3.499 1.00 0.00 N ATOM 1222 CA SER A 75 -4.777 31.714 -4.089 1.00 0.00 C ATOM 1223 C SER A 75 -4.723 30.897 -5.377 1.00 0.00 C ATOM 1224 O SER A 75 -3.717 30.900 -6.085 1.00 0.00 O ATOM 1225 CB SER A 75 -5.366 33.097 -4.373 1.00 0.00 C ATOM 1226 OG SER A 75 -6.780 33.076 -4.284 1.00 0.00 O ATOM 0 H SER A 75 -3.072 32.789 -3.506 1.00 0.00 H new ATOM 0 HA SER A 75 -5.417 31.194 -3.376 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.964 33.820 -3.663 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.066 33.427 -5.368 1.00 0.00 H new ATOM 0 HG SER A 75 -7.133 33.972 -4.468 1.00 0.00 H new ATOM 1232 N GLY A 76 -5.815 30.198 -5.672 1.00 0.00 N ATOM 1233 CA GLY A 76 -5.873 29.385 -6.873 1.00 0.00 C ATOM 1234 C GLY A 76 -6.439 28.004 -6.613 1.00 0.00 C ATOM 1235 O GLY A 76 -7.146 27.775 -5.631 1.00 0.00 O ATOM 0 H GLY A 76 -6.660 30.180 -5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.485 29.890 -7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.871 29.290 -7.292 1.00 0.00 H new ATOM 1239 N PRO A 77 -6.130 27.054 -7.507 1.00 0.00 N ATOM 1240 CA PRO A 77 -6.605 25.672 -7.392 1.00 0.00 C ATOM 1241 C PRO A 77 -5.949 24.930 -6.232 1.00 0.00 C ATOM 1242 O PRO A 77 -4.726 24.815 -6.168 1.00 0.00 O ATOM 1243 CB PRO A 77 -6.197 25.044 -8.727 1.00 0.00 C ATOM 1244 CG PRO A 77 -5.038 25.857 -9.190 1.00 0.00 C ATOM 1245 CD PRO A 77 -5.293 27.257 -8.702 1.00 0.00 C ATOM 0 HA PRO A 77 -7.676 25.624 -7.193 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.922 23.997 -8.604 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -7.016 25.076 -9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.103 25.468 -8.788 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.953 25.832 -10.276 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.364 27.773 -8.459 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.805 27.858 -9.454 1.00 0.00 H new ATOM 1253 N SER A 78 -6.772 24.428 -5.317 1.00 0.00 N ATOM 1254 CA SER A 78 -6.272 23.699 -4.157 1.00 0.00 C ATOM 1255 C SER A 78 -7.262 22.624 -3.722 1.00 0.00 C ATOM 1256 O SER A 78 -8.280 22.399 -4.378 1.00 0.00 O ATOM 1257 CB SER A 78 -6.006 24.662 -2.998 1.00 0.00 C ATOM 1258 OG SER A 78 -7.131 25.489 -2.755 1.00 0.00 O ATOM 0 H SER A 78 -7.788 24.513 -5.356 1.00 0.00 H new ATOM 0 HA SER A 78 -5.337 23.215 -4.440 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.766 24.096 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.138 25.281 -3.227 1.00 0.00 H new ATOM 0 HG SER A 78 -6.937 26.094 -2.009 1.00 0.00 H new ATOM 1264 N SER A 79 -6.957 21.960 -2.612 1.00 0.00 N ATOM 1265 CA SER A 79 -7.817 20.904 -2.090 1.00 0.00 C ATOM 1266 C SER A 79 -8.373 21.284 -0.721 1.00 0.00 C ATOM 1267 O SER A 79 -7.799 22.109 -0.012 1.00 0.00 O ATOM 1268 CB SER A 79 -7.044 19.588 -1.993 1.00 0.00 C ATOM 1269 OG SER A 79 -7.923 18.477 -2.015 1.00 0.00 O ATOM 0 H SER A 79 -6.120 22.135 -2.056 1.00 0.00 H new ATOM 0 HA SER A 79 -8.652 20.775 -2.779 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.339 19.515 -2.821 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.458 19.574 -1.074 1.00 0.00 H new ATOM 0 HG SER A 79 -7.404 17.648 -1.953 1.00 0.00 H new ATOM 1275 N GLY A 80 -9.497 20.673 -0.355 1.00 0.00 N ATOM 1276 CA GLY A 80 -10.112 20.958 0.928 1.00 0.00 C ATOM 1277 C GLY A 80 -9.898 19.846 1.935 1.00 0.00 C ATOM 1278 O GLY A 80 -9.616 20.104 3.105 1.00 0.00 O ATOM 0 H GLY A 80 -9.992 19.986 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.702 21.887 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.181 21.115 0.788 1.00 0.00 H new TER 1282 GLY A 80