USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 602 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 18 ASN : amide:sc= -0.976 K(o=-0.95,f=-5.1!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 140:sc= 0.0222 (180deg=-1.23!) USER MOD Single : A 1 MET CE :methyl 140:sc= -0.207 (180deg=-0.845) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0303) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot -63:sc= -1.7 USER MOD Single : A 9 ASN : amide:sc= -0.0681 K(o=-0.068,f=-1.4!) USER MOD Single : A 20 SER OG : rot 13:sc= -0.103 USER MOD Single : A 23 LYS NZ :NH3+ -146:sc= -1.46 (180deg=-3.51!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc=-0.00791 (180deg=-0.00791) USER MOD Single : A 38 THR OG1 : rot 105:sc= 1.31 USER MOD Single : A 39 MET CE :methyl -158:sc= -0.068 (180deg=-1.08) USER MOD Single : A 46 THR OG1 : rot -74:sc= -0.0297 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -68:sc= 0.625 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -0.0445 (180deg=-0.308) USER MOD Single : A 66 THR OG1 : rot -31:sc= 0.394 USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.25) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.468 -18.978 -7.300 1.00 0.00 N ATOM 2 CA MET A 1 -10.255 -18.128 -7.247 1.00 0.00 C ATOM 3 C MET A 1 -9.926 -17.759 -5.807 1.00 0.00 C ATOM 4 O MET A 1 -10.634 -16.972 -5.178 1.00 0.00 O ATOM 5 CB MET A 1 -10.448 -16.850 -8.068 1.00 0.00 C ATOM 6 CG MET A 1 -10.623 -17.093 -9.558 1.00 0.00 C ATOM 7 SD MET A 1 -10.758 -15.559 -10.499 1.00 0.00 S ATOM 8 CE MET A 1 -9.162 -14.815 -10.173 1.00 0.00 C ATOM 0 H1 MET A 1 -11.611 -19.318 -8.272 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.350 -19.791 -6.662 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.295 -18.422 -7.003 1.00 0.00 H new ATOM 0 HA MET A 1 -9.429 -18.699 -7.671 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.322 -16.317 -7.692 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.587 -16.199 -7.915 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.777 -17.670 -9.930 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.516 -17.695 -9.722 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.785 -14.350 -11.084 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.265 -14.059 -9.395 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.463 -15.583 -9.842 1.00 0.00 H new ATOM 20 N SER A 2 -8.851 -18.325 -5.290 1.00 0.00 N ATOM 21 CA SER A 2 -8.444 -18.065 -3.923 1.00 0.00 C ATOM 22 C SER A 2 -7.204 -17.177 -3.890 1.00 0.00 C ATOM 23 O SER A 2 -6.078 -17.673 -3.844 1.00 0.00 O ATOM 24 CB SER A 2 -8.173 -19.385 -3.196 1.00 0.00 C ATOM 25 OG SER A 2 -9.262 -20.281 -3.349 1.00 0.00 O ATOM 0 H SER A 2 -8.244 -18.968 -5.798 1.00 0.00 H new ATOM 0 HA SER A 2 -9.253 -17.541 -3.414 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.264 -19.841 -3.589 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.001 -19.193 -2.137 1.00 0.00 H new ATOM 0 HG SER A 2 -9.066 -21.118 -2.878 1.00 0.00 H new ATOM 31 N ILE A 3 -7.412 -15.866 -3.962 1.00 0.00 N ATOM 32 CA ILE A 3 -6.316 -14.913 -3.834 1.00 0.00 C ATOM 33 C ILE A 3 -6.725 -13.736 -2.953 1.00 0.00 C ATOM 34 O ILE A 3 -6.756 -12.585 -3.392 1.00 0.00 O ATOM 35 CB ILE A 3 -5.807 -14.384 -5.201 1.00 0.00 C ATOM 36 CG1 ILE A 3 -6.945 -13.756 -6.009 1.00 0.00 C ATOM 37 CG2 ILE A 3 -5.132 -15.495 -5.994 1.00 0.00 C ATOM 38 CD1 ILE A 3 -6.479 -13.084 -7.281 1.00 0.00 C ATOM 0 H ILE A 3 -8.327 -15.440 -4.108 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.494 -15.458 -3.369 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.068 -13.607 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.672 -14.529 -6.260 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.461 -13.024 -5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.783 -15.101 -6.948 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.283 -15.881 -5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.845 -16.300 -6.173 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.336 -12.661 -7.804 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.775 -12.289 -7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.989 -13.817 -7.922 1.00 0.00 H new ATOM 50 N GLU A 4 -7.063 -14.028 -1.710 1.00 0.00 N ATOM 51 CA GLU A 4 -7.432 -12.986 -0.769 1.00 0.00 C ATOM 52 C GLU A 4 -6.201 -12.223 -0.318 1.00 0.00 C ATOM 53 O GLU A 4 -5.339 -12.755 0.382 1.00 0.00 O ATOM 54 CB GLU A 4 -8.166 -13.573 0.429 1.00 0.00 C ATOM 55 CG GLU A 4 -9.568 -14.033 0.097 1.00 0.00 C ATOM 56 CD GLU A 4 -10.196 -14.828 1.220 1.00 0.00 C ATOM 57 OE1 GLU A 4 -10.004 -16.062 1.262 1.00 0.00 O ATOM 58 OE2 GLU A 4 -10.877 -14.225 2.074 1.00 0.00 O ATOM 0 H GLU A 4 -7.090 -14.974 -1.330 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.106 -12.293 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.596 -14.416 0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.213 -12.826 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.190 -13.165 -0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.543 -14.643 -0.806 1.00 0.00 H new ATOM 65 N VAL A 5 -6.121 -10.977 -0.734 1.00 0.00 N ATOM 66 CA VAL A 5 -4.983 -10.140 -0.408 1.00 0.00 C ATOM 67 C VAL A 5 -5.318 -9.262 0.786 1.00 0.00 C ATOM 68 O VAL A 5 -6.285 -8.505 0.748 1.00 0.00 O ATOM 69 CB VAL A 5 -4.576 -9.249 -1.600 1.00 0.00 C ATOM 70 CG1 VAL A 5 -3.206 -8.635 -1.360 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.595 -10.041 -2.901 1.00 0.00 C ATOM 0 H VAL A 5 -6.834 -10.518 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.144 -10.794 -0.169 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.303 -8.442 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.934 -8.009 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.233 -8.027 -0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.468 -9.428 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.305 -9.391 -3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.895 -10.873 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.599 -10.426 -3.078 1.00 0.00 H new ATOM 81 N ARG A 6 -4.541 -9.382 1.851 1.00 0.00 N ATOM 82 CA ARG A 6 -4.758 -8.573 3.046 1.00 0.00 C ATOM 83 C ARG A 6 -3.451 -7.925 3.461 1.00 0.00 C ATOM 84 O ARG A 6 -2.380 -8.424 3.125 1.00 0.00 O ATOM 85 CB ARG A 6 -5.288 -9.403 4.224 1.00 0.00 C ATOM 86 CG ARG A 6 -6.314 -10.461 3.856 1.00 0.00 C ATOM 87 CD ARG A 6 -5.647 -11.815 3.677 1.00 0.00 C ATOM 88 NE ARG A 6 -6.597 -12.922 3.738 1.00 0.00 N ATOM 89 CZ ARG A 6 -6.343 -14.148 3.276 1.00 0.00 C ATOM 90 NH1 ARG A 6 -5.185 -14.417 2.688 1.00 0.00 N ATOM 91 NH2 ARG A 6 -7.252 -15.106 3.402 1.00 0.00 N ATOM 0 H ARG A 6 -3.755 -10.029 1.915 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.507 -7.821 2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.445 -9.891 4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.732 -8.727 4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.074 -10.524 4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.824 -10.176 2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.130 -11.837 2.718 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.890 -11.948 4.450 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.510 -12.748 4.159 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.482 -13.685 2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.997 -15.356 2.337 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.145 -14.906 3.852 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.058 -16.043 3.049 1.00 0.00 H new ATOM 105 N ASP A 7 -3.537 -6.833 4.205 1.00 0.00 N ATOM 106 CA ASP A 7 -2.347 -6.130 4.663 1.00 0.00 C ATOM 107 C ASP A 7 -1.806 -6.795 5.927 1.00 0.00 C ATOM 108 O ASP A 7 -2.245 -7.887 6.296 1.00 0.00 O ATOM 109 CB ASP A 7 -2.680 -4.658 4.928 1.00 0.00 C ATOM 110 CG ASP A 7 -3.473 -4.457 6.203 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.371 -5.275 6.492 1.00 0.00 O ATOM 112 OD2 ASP A 7 -3.189 -3.485 6.926 1.00 0.00 O ATOM 0 H ASP A 7 -4.417 -6.414 4.505 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.580 -6.178 3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.754 -4.086 4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.247 -4.261 4.086 1.00 0.00 H new ATOM 117 N CYS A 8 -0.865 -6.139 6.596 1.00 0.00 N ATOM 118 CA CYS A 8 -0.268 -6.688 7.810 1.00 0.00 C ATOM 119 C CYS A 8 -1.280 -6.730 8.954 1.00 0.00 C ATOM 120 O CYS A 8 -1.044 -7.366 9.984 1.00 0.00 O ATOM 121 CB CYS A 8 0.950 -5.860 8.223 1.00 0.00 C ATOM 122 SG CYS A 8 0.587 -4.113 8.515 1.00 0.00 S ATOM 0 H CYS A 8 -0.499 -5.228 6.320 1.00 0.00 H new ATOM 0 HA CYS A 8 0.047 -7.709 7.595 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.377 -6.288 9.130 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.710 -5.938 7.445 1.00 0.00 H new ATOM 0 HG CYS A 8 0.168 -3.567 7.412 1.00 0.00 H new ATOM 128 N ASN A 9 -2.401 -6.043 8.772 1.00 0.00 N ATOM 129 CA ASN A 9 -3.458 -6.012 9.773 1.00 0.00 C ATOM 130 C ASN A 9 -4.407 -7.176 9.567 1.00 0.00 C ATOM 131 O ASN A 9 -4.899 -7.781 10.524 1.00 0.00 O ATOM 132 CB ASN A 9 -4.249 -4.712 9.662 1.00 0.00 C ATOM 133 CG ASN A 9 -4.987 -4.366 10.941 1.00 0.00 C ATOM 134 OD1 ASN A 9 -4.592 -4.772 12.035 1.00 0.00 O ATOM 135 ND2 ASN A 9 -6.055 -3.593 10.815 1.00 0.00 N ATOM 0 H ASN A 9 -2.601 -5.497 7.934 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.998 -6.081 10.759 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.570 -3.898 9.408 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.966 -4.796 8.845 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.582 -3.313 11.642 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.350 -3.277 9.891 1.00 0.00 H new ATOM 142 N GLY A 10 -4.664 -7.479 8.310 1.00 0.00 N ATOM 143 CA GLY A 10 -5.616 -8.505 7.980 1.00 0.00 C ATOM 144 C GLY A 10 -6.784 -7.938 7.211 1.00 0.00 C ATOM 145 O GLY A 10 -7.786 -8.616 6.988 1.00 0.00 O ATOM 0 H GLY A 10 -4.225 -7.028 7.507 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.129 -9.280 7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.974 -8.980 8.893 1.00 0.00 H new ATOM 149 N ALA A 11 -6.653 -6.684 6.804 1.00 0.00 N ATOM 150 CA ALA A 11 -7.695 -6.021 6.044 1.00 0.00 C ATOM 151 C ALA A 11 -7.577 -6.383 4.573 1.00 0.00 C ATOM 152 O ALA A 11 -6.521 -6.211 3.967 1.00 0.00 O ATOM 153 CB ALA A 11 -7.616 -4.512 6.232 1.00 0.00 C ATOM 0 H ALA A 11 -5.833 -6.107 6.989 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.664 -6.359 6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.406 -4.032 5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.740 -4.270 7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.646 -4.153 5.889 1.00 0.00 H new ATOM 159 N LEU A 12 -8.658 -6.908 4.017 1.00 0.00 N ATOM 160 CA LEU A 12 -8.688 -7.295 2.616 1.00 0.00 C ATOM 161 C LEU A 12 -8.583 -6.073 1.712 1.00 0.00 C ATOM 162 O LEU A 12 -9.322 -5.099 1.871 1.00 0.00 O ATOM 163 CB LEU A 12 -9.967 -8.076 2.314 1.00 0.00 C ATOM 164 CG LEU A 12 -9.967 -9.528 2.798 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.392 -10.047 2.925 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.178 -10.399 1.835 1.00 0.00 C ATOM 0 H LEU A 12 -9.530 -7.076 4.518 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.829 -7.936 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.809 -7.556 2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.134 -8.068 1.237 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.495 -9.567 3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.373 -11.081 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.940 -9.435 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.885 -9.998 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.184 -11.430 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.633 -10.352 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.150 -10.041 1.779 1.00 0.00 H new ATOM 178 N LEU A 13 -7.665 -6.146 0.768 1.00 0.00 N ATOM 179 CA LEU A 13 -7.376 -5.048 -0.134 1.00 0.00 C ATOM 180 C LEU A 13 -8.038 -5.276 -1.482 1.00 0.00 C ATOM 181 O LEU A 13 -8.492 -6.383 -1.782 1.00 0.00 O ATOM 182 CB LEU A 13 -5.863 -4.924 -0.322 1.00 0.00 C ATOM 183 CG LEU A 13 -5.084 -4.472 0.916 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.590 -4.636 0.688 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.408 -3.024 1.255 1.00 0.00 C ATOM 0 H LEU A 13 -7.094 -6.975 0.604 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.770 -4.128 0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.473 -5.890 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.671 -4.218 -1.130 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.382 -5.098 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.049 -4.311 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.365 -5.684 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.284 -4.031 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.844 -2.722 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.137 -2.384 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.475 -2.927 1.455 1.00 0.00 H new ATOM 197 N ALA A 14 -8.079 -4.232 -2.293 1.00 0.00 N ATOM 198 CA ALA A 14 -8.636 -4.316 -3.631 1.00 0.00 C ATOM 199 C ALA A 14 -8.075 -3.202 -4.503 1.00 0.00 C ATOM 200 O ALA A 14 -7.282 -2.389 -4.037 1.00 0.00 O ATOM 201 CB ALA A 14 -10.153 -4.247 -3.575 1.00 0.00 C ATOM 0 H ALA A 14 -7.729 -3.307 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.354 -5.272 -4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.558 -4.311 -4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.533 -5.076 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.458 -3.304 -3.121 1.00 0.00 H new ATOM 207 N ASP A 15 -8.473 -3.173 -5.769 1.00 0.00 N ATOM 208 CA ASP A 15 -8.040 -2.109 -6.674 1.00 0.00 C ATOM 209 C ASP A 15 -8.594 -0.765 -6.219 1.00 0.00 C ATOM 210 O ASP A 15 -9.791 -0.634 -5.950 1.00 0.00 O ATOM 211 CB ASP A 15 -8.487 -2.393 -8.111 1.00 0.00 C ATOM 212 CG ASP A 15 -7.957 -1.366 -9.096 1.00 0.00 C ATOM 213 OD1 ASP A 15 -8.542 -0.266 -9.199 1.00 0.00 O ATOM 214 OD2 ASP A 15 -6.956 -1.658 -9.782 1.00 0.00 O ATOM 0 H ASP A 15 -9.090 -3.867 -6.192 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.951 -2.074 -6.650 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.145 -3.385 -8.406 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.576 -2.405 -8.154 1.00 0.00 H new ATOM 219 N GLY A 16 -7.718 0.222 -6.117 1.00 0.00 N ATOM 220 CA GLY A 16 -8.124 1.543 -5.687 1.00 0.00 C ATOM 221 C GLY A 16 -8.037 1.695 -4.184 1.00 0.00 C ATOM 222 O GLY A 16 -8.568 2.647 -3.613 1.00 0.00 O ATOM 0 H GLY A 16 -6.724 0.130 -6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.492 2.291 -6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.146 1.733 -6.013 1.00 0.00 H new ATOM 226 N ASP A 17 -7.363 0.752 -3.540 1.00 0.00 N ATOM 227 CA ASP A 17 -7.238 0.759 -2.087 1.00 0.00 C ATOM 228 C ASP A 17 -6.025 1.581 -1.660 1.00 0.00 C ATOM 229 O ASP A 17 -5.244 2.030 -2.501 1.00 0.00 O ATOM 230 CB ASP A 17 -7.120 -0.674 -1.559 1.00 0.00 C ATOM 231 CG ASP A 17 -7.744 -0.842 -0.191 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.437 -0.041 0.711 1.00 0.00 O ATOM 233 OD2 ASP A 17 -8.564 -1.766 -0.021 1.00 0.00 O ATOM 0 H ASP A 17 -6.894 -0.028 -4.000 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.132 1.216 -1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.601 -1.356 -2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.068 -0.955 -1.512 1.00 0.00 H new ATOM 238 N ASN A 18 -5.867 1.775 -0.363 1.00 0.00 N ATOM 239 CA ASN A 18 -4.785 2.594 0.171 1.00 0.00 C ATOM 240 C ASN A 18 -4.076 1.895 1.314 1.00 0.00 C ATOM 241 O ASN A 18 -4.700 1.428 2.264 1.00 0.00 O ATOM 242 CB ASN A 18 -5.294 3.962 0.643 1.00 0.00 C ATOM 243 CG ASN A 18 -6.700 3.913 1.204 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.916 3.665 2.390 1.00 0.00 O ATOM 245 ND2 ASN A 18 -7.665 4.166 0.342 1.00 0.00 N ATOM 0 H ASN A 18 -6.478 1.374 0.348 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.076 2.747 -0.643 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.619 4.351 1.405 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.267 4.661 -0.193 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.638 4.161 0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.439 4.367 -0.632 1.00 0.00 H new ATOM 252 N VAL A 19 -2.763 1.834 1.209 1.00 0.00 N ATOM 253 CA VAL A 19 -1.927 1.248 2.243 1.00 0.00 C ATOM 254 C VAL A 19 -0.852 2.239 2.679 1.00 0.00 C ATOM 255 O VAL A 19 -0.761 3.341 2.139 1.00 0.00 O ATOM 256 CB VAL A 19 -1.252 -0.060 1.770 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.291 -1.126 1.470 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.372 0.191 0.553 1.00 0.00 C ATOM 0 H VAL A 19 -2.244 2.189 0.406 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.578 1.010 3.085 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.617 -0.421 2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.792 -2.037 1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.868 -1.335 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.959 -0.772 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.091 -0.745 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.981 0.585 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.404 0.913 0.808 1.00 0.00 H new ATOM 268 N SER A 20 -0.055 1.859 3.663 1.00 0.00 N ATOM 269 CA SER A 20 1.027 2.702 4.140 1.00 0.00 C ATOM 270 C SER A 20 2.145 1.864 4.756 1.00 0.00 C ATOM 271 O SER A 20 1.902 0.788 5.295 1.00 0.00 O ATOM 272 CB SER A 20 0.500 3.722 5.149 1.00 0.00 C ATOM 273 OG SER A 20 -0.333 4.682 4.519 1.00 0.00 O ATOM 0 H SER A 20 -0.138 0.966 4.149 1.00 0.00 H new ATOM 0 HA SER A 20 1.442 3.238 3.287 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.059 3.209 5.931 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.337 4.225 5.633 1.00 0.00 H new ATOM 0 HG SER A 20 -0.563 4.374 3.617 1.00 0.00 H new ATOM 279 N LEU A 21 3.368 2.365 4.644 1.00 0.00 N ATOM 280 CA LEU A 21 4.553 1.691 5.174 1.00 0.00 C ATOM 281 C LEU A 21 4.520 1.604 6.695 1.00 0.00 C ATOM 282 O LEU A 21 4.397 2.623 7.376 1.00 0.00 O ATOM 283 CB LEU A 21 5.812 2.449 4.741 1.00 0.00 C ATOM 284 CG LEU A 21 6.394 2.068 3.379 1.00 0.00 C ATOM 285 CD1 LEU A 21 6.950 0.663 3.427 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.355 2.191 2.276 1.00 0.00 C ATOM 0 H LEU A 21 3.570 3.252 4.183 1.00 0.00 H new ATOM 0 HA LEU A 21 4.564 0.677 4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.584 3.515 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.582 2.296 5.498 1.00 0.00 H new ATOM 0 HG LEU A 21 7.202 2.763 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.362 0.401 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.736 0.608 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.153 -0.035 3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.803 1.913 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.517 1.528 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.000 3.220 2.224 1.00 0.00 H new ATOM 298 N ILE A 22 4.651 0.391 7.228 1.00 0.00 N ATOM 299 CA ILE A 22 4.686 0.203 8.678 1.00 0.00 C ATOM 300 C ILE A 22 6.124 0.194 9.174 1.00 0.00 C ATOM 301 O ILE A 22 6.383 0.174 10.379 1.00 0.00 O ATOM 302 CB ILE A 22 4.001 -1.107 9.125 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.800 -2.324 8.651 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.579 -1.164 8.597 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.278 -3.644 9.172 1.00 0.00 C ATOM 0 H ILE A 22 4.734 -0.468 6.685 1.00 0.00 H new ATOM 0 HA ILE A 22 4.136 1.038 9.111 1.00 0.00 H new ATOM 0 HB ILE A 22 3.968 -1.125 10.214 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.794 -2.347 7.561 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.838 -2.208 8.962 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.108 -2.093 8.920 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.013 -0.317 8.984 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.593 -1.124 7.508 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.898 -4.456 8.791 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.310 -3.643 10.262 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.250 -3.785 8.839 1.00 0.00 H new ATOM 317 N LYS A 23 7.051 0.202 8.228 1.00 0.00 N ATOM 318 CA LYS A 23 8.475 0.204 8.521 1.00 0.00 C ATOM 319 C LYS A 23 9.188 1.043 7.480 1.00 0.00 C ATOM 320 O LYS A 23 8.567 1.542 6.541 1.00 0.00 O ATOM 321 CB LYS A 23 9.071 -1.206 8.459 1.00 0.00 C ATOM 322 CG LYS A 23 8.298 -2.280 9.195 1.00 0.00 C ATOM 323 CD LYS A 23 8.846 -3.663 8.871 1.00 0.00 C ATOM 324 CE LYS A 23 10.119 -4.002 9.645 1.00 0.00 C ATOM 325 NZ LYS A 23 11.278 -3.138 9.280 1.00 0.00 N ATOM 0 H LYS A 23 6.835 0.207 7.231 1.00 0.00 H new ATOM 0 HA LYS A 23 8.605 0.603 9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.156 -1.499 7.412 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.083 -1.171 8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.356 -2.104 10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.244 -2.228 8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.084 -4.410 9.093 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.051 -3.724 7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.924 -3.904 10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.380 -5.044 9.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.156 -3.692 9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.155 -2.784 8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.332 -2.334 9.938 1.00 0.00 H new ATOM 339 N ASP A 24 10.488 1.174 7.640 1.00 0.00 N ATOM 340 CA ASP A 24 11.331 1.777 6.626 1.00 0.00 C ATOM 341 C ASP A 24 11.884 0.660 5.751 1.00 0.00 C ATOM 342 O ASP A 24 12.799 -0.056 6.159 1.00 0.00 O ATOM 343 CB ASP A 24 12.478 2.544 7.270 1.00 0.00 C ATOM 344 CG ASP A 24 12.029 3.383 8.446 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.476 4.479 8.225 1.00 0.00 O ATOM 346 OD2 ASP A 24 12.254 2.960 9.598 1.00 0.00 O ATOM 0 H ASP A 24 10.990 0.867 8.473 1.00 0.00 H new ATOM 0 HA ASP A 24 10.749 2.480 6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.241 1.839 7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.943 3.189 6.524 1.00 0.00 H new ATOM 351 N LEU A 25 11.314 0.485 4.569 1.00 0.00 N ATOM 352 CA LEU A 25 11.647 -0.664 3.736 1.00 0.00 C ATOM 353 C LEU A 25 12.583 -0.285 2.612 1.00 0.00 C ATOM 354 O LEU A 25 12.205 0.389 1.660 1.00 0.00 O ATOM 355 CB LEU A 25 10.395 -1.325 3.143 1.00 0.00 C ATOM 356 CG LEU A 25 9.656 -2.322 4.046 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.577 -3.440 4.502 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.040 -1.621 5.238 1.00 0.00 C ATOM 0 H LEU A 25 10.623 1.118 4.165 1.00 0.00 H new ATOM 0 HA LEU A 25 12.145 -1.378 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.696 -0.539 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.683 -1.842 2.228 1.00 0.00 H new ATOM 0 HG LEU A 25 8.853 -2.766 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.024 -4.130 5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.957 -3.976 3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.412 -3.018 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.522 -2.350 5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.824 -1.137 5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.329 -0.871 4.892 1.00 0.00 H new ATOM 370 N LYS A 26 13.804 -0.731 2.733 1.00 0.00 N ATOM 371 CA LYS A 26 14.774 -0.573 1.677 1.00 0.00 C ATOM 372 C LYS A 26 14.710 -1.787 0.764 1.00 0.00 C ATOM 373 O LYS A 26 14.590 -2.923 1.228 1.00 0.00 O ATOM 374 CB LYS A 26 16.160 -0.385 2.279 1.00 0.00 C ATOM 375 CG LYS A 26 17.282 -0.241 1.263 1.00 0.00 C ATOM 376 CD LYS A 26 18.009 -1.559 1.054 1.00 0.00 C ATOM 377 CE LYS A 26 18.659 -2.040 2.345 1.00 0.00 C ATOM 378 NZ LYS A 26 19.352 -3.341 2.175 1.00 0.00 N ATOM 0 H LYS A 26 14.156 -1.212 3.561 1.00 0.00 H new ATOM 0 HA LYS A 26 14.553 0.313 1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.148 0.501 2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.379 -1.236 2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.874 0.106 0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.988 0.517 1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.307 -2.312 0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.770 -1.439 0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.373 -1.293 2.690 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.898 -2.135 3.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.779 -3.628 3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.667 -4.062 1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 20.097 -3.246 1.455 1.00 0.00 H new ATOM 392 N LEU A 27 14.775 -1.532 -0.527 1.00 0.00 N ATOM 393 CA LEU A 27 14.557 -2.563 -1.529 1.00 0.00 C ATOM 394 C LEU A 27 15.796 -3.439 -1.680 1.00 0.00 C ATOM 395 O LEU A 27 15.832 -4.575 -1.203 1.00 0.00 O ATOM 396 CB LEU A 27 14.193 -1.909 -2.873 1.00 0.00 C ATOM 397 CG LEU A 27 13.278 -2.730 -3.797 1.00 0.00 C ATOM 398 CD1 LEU A 27 13.972 -3.991 -4.288 1.00 0.00 C ATOM 399 CD2 LEU A 27 11.983 -3.080 -3.081 1.00 0.00 C ATOM 0 H LEU A 27 14.979 -0.610 -0.913 1.00 0.00 H new ATOM 0 HA LEU A 27 13.732 -3.199 -1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.708 -0.954 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.116 -1.690 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 27 13.046 -2.118 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.297 -4.548 -4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.870 -3.719 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.247 -4.611 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.345 -3.661 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.207 -3.666 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.468 -2.164 -2.793 1.00 0.00 H new ATOM 411 N LYS A 28 16.812 -2.898 -2.333 1.00 0.00 N ATOM 412 CA LYS A 28 18.025 -3.645 -2.621 1.00 0.00 C ATOM 413 C LYS A 28 19.236 -2.730 -2.514 1.00 0.00 C ATOM 414 O LYS A 28 19.160 -1.554 -2.889 1.00 0.00 O ATOM 415 CB LYS A 28 17.933 -4.252 -4.024 1.00 0.00 C ATOM 416 CG LYS A 28 19.040 -5.238 -4.349 1.00 0.00 C ATOM 417 CD LYS A 28 18.871 -5.819 -5.740 1.00 0.00 C ATOM 418 CE LYS A 28 19.911 -6.887 -6.022 1.00 0.00 C ATOM 419 NZ LYS A 28 19.753 -7.477 -7.375 1.00 0.00 N ATOM 0 H LYS A 28 16.820 -1.937 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 28 18.136 -4.451 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.972 -4.755 -4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.952 -3.447 -4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 28 20.007 -4.740 -4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 28 19.040 -6.043 -3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.873 -6.245 -5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.953 -5.024 -6.481 1.00 0.00 H new ATOM 0 HE2 LYS A 28 20.908 -6.455 -5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 28 19.834 -7.674 -5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 20.484 -8.202 -7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.812 -7.912 -7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.852 -6.731 -8.093 1.00 0.00 H new ATOM 433 N GLY A 29 20.338 -3.270 -2.000 1.00 0.00 N ATOM 434 CA GLY A 29 21.543 -2.486 -1.812 1.00 0.00 C ATOM 435 C GLY A 29 21.291 -1.247 -0.982 1.00 0.00 C ATOM 436 O GLY A 29 20.917 -1.340 0.187 1.00 0.00 O ATOM 0 H GLY A 29 20.416 -4.244 -1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 29 22.302 -3.099 -1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 29 21.942 -2.196 -2.784 1.00 0.00 H new ATOM 440 N SER A 30 21.500 -0.091 -1.581 1.00 0.00 N ATOM 441 CA SER A 30 21.183 1.170 -0.936 1.00 0.00 C ATOM 442 C SER A 30 20.528 2.118 -1.937 1.00 0.00 C ATOM 443 O SER A 30 20.447 3.326 -1.711 1.00 0.00 O ATOM 444 CB SER A 30 22.452 1.795 -0.350 1.00 0.00 C ATOM 445 OG SER A 30 23.053 0.925 0.600 1.00 0.00 O ATOM 0 H SER A 30 21.890 0.002 -2.519 1.00 0.00 H new ATOM 0 HA SER A 30 20.482 0.988 -0.122 1.00 0.00 H new ATOM 0 HB2 SER A 30 23.160 2.010 -1.151 1.00 0.00 H new ATOM 0 HB3 SER A 30 22.209 2.746 0.124 1.00 0.00 H new ATOM 0 HG SER A 30 23.863 1.343 0.960 1.00 0.00 H new ATOM 451 N SER A 31 20.034 1.548 -3.029 1.00 0.00 N ATOM 452 CA SER A 31 19.456 2.334 -4.107 1.00 0.00 C ATOM 453 C SER A 31 18.070 2.853 -3.735 1.00 0.00 C ATOM 454 O SER A 31 17.855 4.062 -3.631 1.00 0.00 O ATOM 455 CB SER A 31 19.375 1.488 -5.375 1.00 0.00 C ATOM 456 OG SER A 31 20.637 0.918 -5.687 1.00 0.00 O ATOM 0 H SER A 31 20.023 0.541 -3.190 1.00 0.00 H new ATOM 0 HA SER A 31 20.100 3.196 -4.283 1.00 0.00 H new ATOM 0 HB2 SER A 31 18.637 0.697 -5.242 1.00 0.00 H new ATOM 0 HB3 SER A 31 19.035 2.105 -6.207 1.00 0.00 H new ATOM 0 HG SER A 31 20.560 0.379 -6.502 1.00 0.00 H new ATOM 462 N THR A 32 17.132 1.940 -3.535 1.00 0.00 N ATOM 463 CA THR A 32 15.770 2.315 -3.215 1.00 0.00 C ATOM 464 C THR A 32 15.492 2.092 -1.733 1.00 0.00 C ATOM 465 O THR A 32 15.417 0.954 -1.275 1.00 0.00 O ATOM 466 CB THR A 32 14.771 1.493 -4.051 1.00 0.00 C ATOM 467 OG1 THR A 32 15.256 1.355 -5.394 1.00 0.00 O ATOM 468 CG2 THR A 32 13.406 2.164 -4.070 1.00 0.00 C ATOM 0 H THR A 32 17.293 0.934 -3.589 1.00 0.00 H new ATOM 0 HA THR A 32 15.647 3.372 -3.450 1.00 0.00 H new ATOM 0 HB THR A 32 14.671 0.508 -3.596 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.617 0.830 -5.920 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.715 1.567 -4.666 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.027 2.248 -3.051 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.496 3.159 -4.507 1.00 0.00 H new ATOM 476 N VAL A 33 15.375 3.178 -0.986 1.00 0.00 N ATOM 477 CA VAL A 33 15.069 3.097 0.437 1.00 0.00 C ATOM 478 C VAL A 33 13.739 3.785 0.722 1.00 0.00 C ATOM 479 O VAL A 33 13.629 5.006 0.603 1.00 0.00 O ATOM 480 CB VAL A 33 16.162 3.766 1.302 1.00 0.00 C ATOM 481 CG1 VAL A 33 15.888 3.533 2.781 1.00 0.00 C ATOM 482 CG2 VAL A 33 17.549 3.263 0.921 1.00 0.00 C ATOM 0 H VAL A 33 15.487 4.128 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 33 15.019 2.039 0.696 1.00 0.00 H new ATOM 0 HB VAL A 33 16.135 4.839 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.667 4.011 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.919 3.959 3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.881 2.462 2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 33 18.297 3.751 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 33 17.599 2.184 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 33 17.745 3.493 -0.126 1.00 0.00 H new ATOM 492 N LEU A 34 12.727 3.007 1.071 1.00 0.00 N ATOM 493 CA LEU A 34 11.444 3.570 1.451 1.00 0.00 C ATOM 494 C LEU A 34 11.398 3.769 2.954 1.00 0.00 C ATOM 495 O LEU A 34 12.041 3.040 3.706 1.00 0.00 O ATOM 496 CB LEU A 34 10.283 2.682 1.002 1.00 0.00 C ATOM 497 CG LEU A 34 10.058 2.616 -0.508 1.00 0.00 C ATOM 498 CD1 LEU A 34 10.948 1.564 -1.156 1.00 0.00 C ATOM 499 CD2 LEU A 34 8.595 2.349 -0.799 1.00 0.00 C ATOM 0 H LEU A 34 12.770 1.988 1.099 1.00 0.00 H new ATOM 0 HA LEU A 34 11.336 4.532 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.456 1.671 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.369 3.042 1.474 1.00 0.00 H new ATOM 0 HG LEU A 34 10.331 3.578 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.763 1.543 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.994 1.809 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.725 0.586 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.441 2.303 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.302 1.400 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.988 3.152 -0.380 1.00 0.00 H new ATOM 511 N LYS A 35 10.644 4.758 3.388 1.00 0.00 N ATOM 512 CA LYS A 35 10.580 5.106 4.798 1.00 0.00 C ATOM 513 C LYS A 35 9.231 4.766 5.393 1.00 0.00 C ATOM 514 O LYS A 35 8.246 4.571 4.676 1.00 0.00 O ATOM 515 CB LYS A 35 10.852 6.597 4.982 1.00 0.00 C ATOM 516 CG LYS A 35 12.323 6.963 5.047 1.00 0.00 C ATOM 517 CD LYS A 35 12.882 6.745 6.441 1.00 0.00 C ATOM 518 CE LYS A 35 13.697 5.474 6.531 1.00 0.00 C ATOM 519 NZ LYS A 35 14.460 5.401 7.806 1.00 0.00 N ATOM 0 H LYS A 35 10.063 5.339 2.784 1.00 0.00 H new ATOM 0 HA LYS A 35 11.341 4.523 5.317 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.391 7.142 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.366 6.932 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.882 6.362 4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.454 8.006 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.504 7.595 6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.062 6.702 7.158 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.036 4.611 6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.388 5.424 5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.007 4.517 7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.109 6.211 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.799 5.424 8.608 1.00 0.00 H new ATOM 533 N ARG A 36 9.206 4.714 6.706 1.00 0.00 N ATOM 534 CA ARG A 36 7.999 4.444 7.451 1.00 0.00 C ATOM 535 C ARG A 36 7.029 5.613 7.327 1.00 0.00 C ATOM 536 O ARG A 36 7.449 6.768 7.257 1.00 0.00 O ATOM 537 CB ARG A 36 8.370 4.211 8.909 1.00 0.00 C ATOM 538 CG ARG A 36 7.280 3.529 9.712 1.00 0.00 C ATOM 539 CD ARG A 36 7.754 3.181 11.109 1.00 0.00 C ATOM 540 NE ARG A 36 6.707 2.527 11.888 1.00 0.00 N ATOM 541 CZ ARG A 36 6.554 2.666 13.203 1.00 0.00 C ATOM 542 NH1 ARG A 36 7.383 3.439 13.895 1.00 0.00 N ATOM 543 NH2 ARG A 36 5.568 2.032 13.825 1.00 0.00 N ATOM 0 H ARG A 36 10.029 4.859 7.290 1.00 0.00 H new ATOM 0 HA ARG A 36 7.508 3.557 7.052 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.275 3.605 8.952 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.606 5.169 9.373 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.410 4.182 9.774 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.962 2.622 9.198 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.623 2.526 11.046 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.075 4.088 11.621 1.00 0.00 H new ATOM 0 HE ARG A 36 6.050 1.924 11.393 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.140 3.929 13.419 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.262 3.543 14.902 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.929 1.439 13.296 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.449 2.137 14.833 1.00 0.00 H new ATOM 557 N GLY A 37 5.738 5.315 7.286 1.00 0.00 N ATOM 558 CA GLY A 37 4.742 6.365 7.194 1.00 0.00 C ATOM 559 C GLY A 37 4.530 6.847 5.775 1.00 0.00 C ATOM 560 O GLY A 37 3.957 7.915 5.548 1.00 0.00 O ATOM 0 H GLY A 37 5.362 4.367 7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.796 5.999 7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.048 7.206 7.817 1.00 0.00 H new ATOM 564 N THR A 38 5.008 6.075 4.813 1.00 0.00 N ATOM 565 CA THR A 38 4.788 6.386 3.410 1.00 0.00 C ATOM 566 C THR A 38 3.440 5.834 2.962 1.00 0.00 C ATOM 567 O THR A 38 3.213 4.625 3.009 1.00 0.00 O ATOM 568 CB THR A 38 5.908 5.805 2.526 1.00 0.00 C ATOM 569 OG1 THR A 38 7.180 6.288 2.981 1.00 0.00 O ATOM 570 CG2 THR A 38 5.712 6.190 1.066 1.00 0.00 C ATOM 0 H THR A 38 5.551 5.228 4.978 1.00 0.00 H new ATOM 0 HA THR A 38 4.795 7.470 3.299 1.00 0.00 H new ATOM 0 HB THR A 38 5.873 4.718 2.602 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.645 5.576 3.468 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.518 5.766 0.467 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.755 5.804 0.713 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.723 7.276 0.971 1.00 0.00 H new ATOM 578 N MET A 39 2.542 6.716 2.552 1.00 0.00 N ATOM 579 CA MET A 39 1.220 6.301 2.126 1.00 0.00 C ATOM 580 C MET A 39 1.218 5.917 0.658 1.00 0.00 C ATOM 581 O MET A 39 1.599 6.702 -0.211 1.00 0.00 O ATOM 582 CB MET A 39 0.182 7.396 2.385 1.00 0.00 C ATOM 583 CG MET A 39 -1.161 7.119 1.726 1.00 0.00 C ATOM 584 SD MET A 39 -2.474 8.198 2.321 1.00 0.00 S ATOM 585 CE MET A 39 -2.701 7.551 3.975 1.00 0.00 C ATOM 0 H MET A 39 2.707 7.722 2.506 1.00 0.00 H new ATOM 0 HA MET A 39 0.948 5.426 2.716 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.037 7.502 3.460 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.569 8.347 2.020 1.00 0.00 H new ATOM 0 HG2 MET A 39 -1.061 7.238 0.647 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.441 6.081 1.907 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.695 7.816 4.336 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.598 6.466 3.959 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.948 7.977 4.639 1.00 0.00 H new ATOM 595 N ILE A 40 0.797 4.697 0.402 1.00 0.00 N ATOM 596 CA ILE A 40 0.651 4.205 -0.957 1.00 0.00 C ATOM 597 C ILE A 40 -0.826 3.992 -1.265 1.00 0.00 C ATOM 598 O ILE A 40 -1.400 2.962 -0.918 1.00 0.00 O ATOM 599 CB ILE A 40 1.413 2.881 -1.179 1.00 0.00 C ATOM 600 CG1 ILE A 40 2.866 3.008 -0.712 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.362 2.481 -2.649 1.00 0.00 C ATOM 602 CD1 ILE A 40 3.679 1.745 -0.909 1.00 0.00 C ATOM 0 H ILE A 40 0.547 4.020 1.123 1.00 0.00 H new ATOM 0 HA ILE A 40 1.077 4.953 -1.626 1.00 0.00 H new ATOM 0 HB ILE A 40 0.929 2.103 -0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.343 3.825 -1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.877 3.276 0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.903 1.546 -2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.324 2.349 -2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.822 3.262 -3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.697 1.909 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.226 0.929 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.699 1.487 -1.968 1.00 0.00 H new ATOM 614 N ARG A 41 -1.451 4.979 -1.882 1.00 0.00 N ATOM 615 CA ARG A 41 -2.868 4.891 -2.194 1.00 0.00 C ATOM 616 C ARG A 41 -3.087 4.703 -3.688 1.00 0.00 C ATOM 617 O ARG A 41 -2.364 5.261 -4.510 1.00 0.00 O ATOM 618 CB ARG A 41 -3.628 6.115 -1.656 1.00 0.00 C ATOM 619 CG ARG A 41 -2.876 7.435 -1.775 1.00 0.00 C ATOM 620 CD ARG A 41 -2.885 7.996 -3.190 1.00 0.00 C ATOM 621 NE ARG A 41 -4.224 8.416 -3.609 1.00 0.00 N ATOM 622 CZ ARG A 41 -4.768 9.595 -3.291 1.00 0.00 C ATOM 623 NH1 ARG A 41 -4.107 10.461 -2.532 1.00 0.00 N ATOM 624 NH2 ARG A 41 -5.976 9.908 -3.735 1.00 0.00 N ATOM 0 H ARG A 41 -1.003 5.847 -2.176 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.272 4.011 -1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.574 6.202 -2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.869 5.943 -0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.322 8.164 -1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.845 7.290 -1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.205 8.846 -3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.510 7.241 -3.881 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.774 7.771 -4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.176 10.229 -2.186 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.530 11.358 -2.295 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.491 9.249 -4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.391 10.808 -3.492 1.00 0.00 H new ATOM 638 N GLY A 42 -4.076 3.897 -4.028 1.00 0.00 N ATOM 639 CA GLY A 42 -4.310 3.554 -5.409 1.00 0.00 C ATOM 640 C GLY A 42 -3.616 2.262 -5.773 1.00 0.00 C ATOM 641 O GLY A 42 -3.005 2.153 -6.835 1.00 0.00 O ATOM 0 H GLY A 42 -4.725 3.472 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.381 3.458 -5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.951 4.357 -6.052 1.00 0.00 H new ATOM 645 N ILE A 43 -3.693 1.288 -4.872 1.00 0.00 N ATOM 646 CA ILE A 43 -3.055 0.003 -5.082 1.00 0.00 C ATOM 647 C ILE A 43 -4.029 -0.968 -5.729 1.00 0.00 C ATOM 648 O ILE A 43 -5.233 -0.720 -5.768 1.00 0.00 O ATOM 649 CB ILE A 43 -2.496 -0.588 -3.759 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.610 -0.942 -2.760 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.528 0.395 -3.126 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.127 -2.361 -2.890 1.00 0.00 C ATOM 0 H ILE A 43 -4.194 1.370 -3.987 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.209 0.159 -5.752 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.978 -1.514 -4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.236 -0.794 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.441 -0.250 -2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.139 -0.024 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.703 0.586 -3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.046 1.330 -2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.910 -2.532 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.533 -2.510 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.310 -3.063 -2.722 1.00 0.00 H new ATOM 664 N ARG A 44 -3.508 -2.063 -6.237 1.00 0.00 N ATOM 665 CA ARG A 44 -4.316 -3.058 -6.915 1.00 0.00 C ATOM 666 C ARG A 44 -3.856 -4.457 -6.539 1.00 0.00 C ATOM 667 O ARG A 44 -2.754 -4.633 -6.012 1.00 0.00 O ATOM 668 CB ARG A 44 -4.214 -2.864 -8.423 1.00 0.00 C ATOM 669 CG ARG A 44 -2.779 -2.783 -8.907 1.00 0.00 C ATOM 670 CD ARG A 44 -2.695 -2.746 -10.418 1.00 0.00 C ATOM 671 NE ARG A 44 -3.306 -1.546 -10.980 1.00 0.00 N ATOM 672 CZ ARG A 44 -2.810 -0.882 -12.021 1.00 0.00 C ATOM 673 NH1 ARG A 44 -1.627 -1.215 -12.526 1.00 0.00 N ATOM 674 NH2 ARG A 44 -3.478 0.149 -12.521 1.00 0.00 N ATOM 0 H ARG A 44 -2.515 -2.290 -6.193 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.355 -2.938 -6.607 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.717 -3.690 -8.926 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.740 -1.952 -8.704 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.307 -1.891 -8.495 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.221 -3.641 -8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.649 -2.795 -10.722 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.188 -3.627 -10.828 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.162 -1.196 -10.550 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.095 -1.982 -12.116 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.251 -0.703 -13.324 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.367 0.429 -12.108 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.102 0.662 -13.319 1.00 0.00 H new ATOM 688 N LEU A 45 -4.691 -5.444 -6.819 1.00 0.00 N ATOM 689 CA LEU A 45 -4.372 -6.827 -6.495 1.00 0.00 C ATOM 690 C LEU A 45 -3.674 -7.496 -7.671 1.00 0.00 C ATOM 691 O LEU A 45 -3.737 -7.004 -8.799 1.00 0.00 O ATOM 692 CB LEU A 45 -5.644 -7.605 -6.139 1.00 0.00 C ATOM 693 CG LEU A 45 -6.492 -7.006 -5.017 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.632 -7.945 -4.656 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.641 -6.694 -3.796 1.00 0.00 C ATOM 0 H LEU A 45 -5.596 -5.314 -7.271 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.705 -6.830 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.262 -7.685 -7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.361 -8.619 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.917 -6.068 -5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.227 -7.505 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.262 -8.105 -5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.225 -8.900 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.270 -6.269 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.178 -7.611 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.865 -5.978 -4.067 1.00 0.00 H new ATOM 707 N THR A 46 -3.009 -8.611 -7.405 1.00 0.00 N ATOM 708 CA THR A 46 -2.313 -9.359 -8.443 1.00 0.00 C ATOM 709 C THR A 46 -2.696 -10.832 -8.363 1.00 0.00 C ATOM 710 O THR A 46 -3.663 -11.186 -7.688 1.00 0.00 O ATOM 711 CB THR A 46 -0.781 -9.218 -8.306 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.356 -9.648 -7.006 1.00 0.00 O ATOM 713 CG2 THR A 46 -0.336 -7.781 -8.534 1.00 0.00 C ATOM 0 H THR A 46 -2.936 -9.020 -6.473 1.00 0.00 H new ATOM 0 HA THR A 46 -2.610 -8.950 -9.409 1.00 0.00 H new ATOM 0 HB THR A 46 -0.322 -9.848 -9.067 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.602 -8.972 -6.341 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.747 -7.715 -8.431 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.625 -7.465 -9.537 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.811 -7.132 -7.798 1.00 0.00 H new ATOM 721 N ASP A 47 -1.949 -11.690 -9.053 1.00 0.00 N ATOM 722 CA ASP A 47 -2.143 -13.132 -8.926 1.00 0.00 C ATOM 723 C ASP A 47 -1.546 -13.615 -7.611 1.00 0.00 C ATOM 724 O ASP A 47 -1.715 -14.773 -7.218 1.00 0.00 O ATOM 725 CB ASP A 47 -1.502 -13.893 -10.094 1.00 0.00 C ATOM 726 CG ASP A 47 -2.180 -13.617 -11.420 1.00 0.00 C ATOM 727 OD1 ASP A 47 -3.326 -14.076 -11.621 1.00 0.00 O ATOM 728 OD2 ASP A 47 -1.561 -12.947 -12.276 1.00 0.00 O ATOM 0 H ASP A 47 -1.210 -11.415 -9.700 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.215 -13.330 -8.943 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.450 -13.619 -10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.539 -14.963 -9.888 1.00 0.00 H new ATOM 733 N SER A 48 -0.827 -12.717 -6.951 1.00 0.00 N ATOM 734 CA SER A 48 -0.260 -12.979 -5.651 1.00 0.00 C ATOM 735 C SER A 48 -1.221 -12.523 -4.555 1.00 0.00 C ATOM 736 O SER A 48 -1.928 -11.528 -4.714 1.00 0.00 O ATOM 737 CB SER A 48 1.072 -12.244 -5.530 1.00 0.00 C ATOM 738 OG SER A 48 1.989 -12.679 -6.524 1.00 0.00 O ATOM 0 H SER A 48 -0.624 -11.784 -7.311 1.00 0.00 H new ATOM 0 HA SER A 48 -0.093 -14.050 -5.535 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.909 -11.171 -5.627 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.496 -12.414 -4.540 1.00 0.00 H new ATOM 0 HG SER A 48 2.834 -12.192 -6.426 1.00 0.00 H new ATOM 744 N GLU A 49 -1.238 -13.250 -3.448 1.00 0.00 N ATOM 745 CA GLU A 49 -2.138 -12.940 -2.341 1.00 0.00 C ATOM 746 C GLU A 49 -1.411 -12.099 -1.307 1.00 0.00 C ATOM 747 O GLU A 49 -2.021 -11.425 -0.481 1.00 0.00 O ATOM 748 CB GLU A 49 -2.611 -14.225 -1.673 1.00 0.00 C ATOM 749 CG GLU A 49 -2.976 -15.320 -2.651 1.00 0.00 C ATOM 750 CD GLU A 49 -3.311 -16.620 -1.957 1.00 0.00 C ATOM 751 OE1 GLU A 49 -4.382 -16.709 -1.319 1.00 0.00 O ATOM 752 OE2 GLU A 49 -2.494 -17.560 -2.037 1.00 0.00 O ATOM 0 H GLU A 49 -0.639 -14.060 -3.290 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.994 -12.393 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.827 -14.589 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.477 -14.003 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.829 -15.000 -3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.146 -15.481 -3.339 1.00 0.00 H new ATOM 759 N ASP A 50 -0.093 -12.169 -1.356 1.00 0.00 N ATOM 760 CA ASP A 50 0.753 -11.503 -0.381 1.00 0.00 C ATOM 761 C ASP A 50 1.356 -10.244 -0.984 1.00 0.00 C ATOM 762 O ASP A 50 2.010 -9.459 -0.299 1.00 0.00 O ATOM 763 CB ASP A 50 1.871 -12.448 0.069 1.00 0.00 C ATOM 764 CG ASP A 50 1.357 -13.780 0.582 1.00 0.00 C ATOM 765 OD1 ASP A 50 1.167 -14.706 -0.242 1.00 0.00 O ATOM 766 OD2 ASP A 50 1.155 -13.921 1.805 1.00 0.00 O ATOM 0 H ASP A 50 0.420 -12.687 -2.070 1.00 0.00 H new ATOM 0 HA ASP A 50 0.147 -11.227 0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.547 -12.625 -0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.453 -11.964 0.853 1.00 0.00 H new ATOM 771 N GLU A 51 1.118 -10.052 -2.272 1.00 0.00 N ATOM 772 CA GLU A 51 1.711 -8.947 -3.006 1.00 0.00 C ATOM 773 C GLU A 51 0.639 -8.099 -3.668 1.00 0.00 C ATOM 774 O GLU A 51 -0.405 -8.601 -4.085 1.00 0.00 O ATOM 775 CB GLU A 51 2.670 -9.445 -4.090 1.00 0.00 C ATOM 776 CG GLU A 51 4.025 -9.929 -3.590 1.00 0.00 C ATOM 777 CD GLU A 51 3.960 -11.198 -2.760 1.00 0.00 C ATOM 778 OE1 GLU A 51 3.269 -12.157 -3.172 1.00 0.00 O ATOM 779 OE2 GLU A 51 4.629 -11.249 -1.708 1.00 0.00 O ATOM 0 H GLU A 51 0.514 -10.652 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 51 2.264 -8.349 -2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.189 -10.260 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.832 -8.639 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.677 -10.101 -4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.484 -9.140 -2.994 1.00 0.00 H new ATOM 786 N ILE A 52 0.922 -6.816 -3.768 1.00 0.00 N ATOM 787 CA ILE A 52 0.057 -5.877 -4.459 1.00 0.00 C ATOM 788 C ILE A 52 0.906 -4.945 -5.305 1.00 0.00 C ATOM 789 O ILE A 52 2.127 -4.974 -5.227 1.00 0.00 O ATOM 790 CB ILE A 52 -0.774 -5.008 -3.493 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.150 -4.252 -2.538 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.776 -5.854 -2.721 1.00 0.00 C ATOM 793 CD1 ILE A 52 -0.494 -3.038 -1.918 1.00 0.00 C ATOM 0 H ILE A 52 1.761 -6.392 -3.372 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.629 -6.468 -5.066 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.337 -4.282 -4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.473 -4.927 -1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.045 -3.943 -3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.348 -5.216 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.454 -6.344 -3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.245 -6.609 -2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.217 -2.549 -1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.792 -2.343 -2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.373 -3.343 -1.350 1.00 0.00 H new ATOM 805 N GLU A 53 0.265 -4.123 -6.103 1.00 0.00 N ATOM 806 CA GLU A 53 0.961 -3.111 -6.866 1.00 0.00 C ATOM 807 C GLU A 53 0.343 -1.757 -6.572 1.00 0.00 C ATOM 808 O GLU A 53 -0.876 -1.634 -6.532 1.00 0.00 O ATOM 809 CB GLU A 53 0.858 -3.433 -8.346 1.00 0.00 C ATOM 810 CG GLU A 53 1.613 -2.463 -9.241 1.00 0.00 C ATOM 811 CD GLU A 53 1.444 -2.759 -10.719 1.00 0.00 C ATOM 812 OE1 GLU A 53 0.299 -2.715 -11.218 1.00 0.00 O ATOM 813 OE2 GLU A 53 2.457 -3.036 -11.393 1.00 0.00 O ATOM 0 H GLU A 53 -0.745 -4.135 -6.242 1.00 0.00 H new ATOM 0 HA GLU A 53 2.014 -3.090 -6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.238 -4.440 -8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.193 -3.436 -8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.269 -1.449 -9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.673 -2.496 -8.989 1.00 0.00 H new ATOM 820 N GLY A 54 1.165 -0.749 -6.346 1.00 0.00 N ATOM 821 CA GLY A 54 0.631 0.549 -6.001 1.00 0.00 C ATOM 822 C GLY A 54 1.453 1.691 -6.543 1.00 0.00 C ATOM 823 O GLY A 54 2.445 1.479 -7.237 1.00 0.00 O ATOM 0 H GLY A 54 2.182 -0.803 -6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.387 0.629 -6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.573 0.634 -4.916 1.00 0.00 H new ATOM 827 N ARG A 55 1.037 2.904 -6.225 1.00 0.00 N ATOM 828 CA ARG A 55 1.731 4.096 -6.675 1.00 0.00 C ATOM 829 C ARG A 55 1.943 5.049 -5.510 1.00 0.00 C ATOM 830 O ARG A 55 1.093 5.170 -4.626 1.00 0.00 O ATOM 831 CB ARG A 55 0.948 4.774 -7.797 1.00 0.00 C ATOM 832 CG ARG A 55 -0.455 5.202 -7.410 1.00 0.00 C ATOM 833 CD ARG A 55 -1.182 5.813 -8.595 1.00 0.00 C ATOM 834 NE ARG A 55 -2.604 6.029 -8.332 1.00 0.00 N ATOM 835 CZ ARG A 55 -3.290 7.071 -8.799 1.00 0.00 C ATOM 836 NH1 ARG A 55 -2.665 8.050 -9.439 1.00 0.00 N ATOM 837 NH2 ARG A 55 -4.601 7.149 -8.611 1.00 0.00 N ATOM 0 H ARG A 55 0.214 3.089 -5.651 1.00 0.00 H new ATOM 0 HA ARG A 55 2.707 3.810 -7.067 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.503 5.650 -8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.886 4.092 -8.645 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.013 4.342 -7.040 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.407 5.925 -6.596 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.715 6.764 -8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.072 5.160 -9.460 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.098 5.344 -7.760 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.655 8.007 -9.575 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.194 8.846 -9.795 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.089 6.409 -8.107 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.121 7.949 -8.971 1.00 0.00 H new ATOM 851 N THR A 56 3.087 5.697 -5.506 1.00 0.00 N ATOM 852 CA THR A 56 3.458 6.605 -4.438 1.00 0.00 C ATOM 853 C THR A 56 3.743 7.989 -5.019 1.00 0.00 C ATOM 854 O THR A 56 3.515 8.227 -6.210 1.00 0.00 O ATOM 855 CB THR A 56 4.722 6.109 -3.693 1.00 0.00 C ATOM 856 OG1 THR A 56 5.861 6.263 -4.530 1.00 0.00 O ATOM 857 CG2 THR A 56 4.620 4.642 -3.310 1.00 0.00 C ATOM 0 H THR A 56 3.788 5.611 -6.242 1.00 0.00 H new ATOM 0 HA THR A 56 2.629 6.650 -3.732 1.00 0.00 H new ATOM 0 HB THR A 56 4.813 6.705 -2.785 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.798 5.643 -5.286 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.528 4.338 -2.790 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.761 4.496 -2.655 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.498 4.039 -4.210 1.00 0.00 H new ATOM 865 N ASP A 57 4.257 8.886 -4.186 1.00 0.00 N ATOM 866 CA ASP A 57 4.647 10.218 -4.635 1.00 0.00 C ATOM 867 C ASP A 57 5.979 10.167 -5.379 1.00 0.00 C ATOM 868 O ASP A 57 6.347 11.111 -6.079 1.00 0.00 O ATOM 869 CB ASP A 57 4.760 11.184 -3.449 1.00 0.00 C ATOM 870 CG ASP A 57 3.432 11.435 -2.760 1.00 0.00 C ATOM 871 OD1 ASP A 57 3.049 10.628 -1.885 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.769 12.443 -3.079 1.00 0.00 O ATOM 0 H ASP A 57 4.414 8.715 -3.193 1.00 0.00 H new ATOM 0 HA ASP A 57 3.873 10.579 -5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.468 10.780 -2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.167 12.133 -3.798 1.00 0.00 H new ATOM 877 N LYS A 58 6.698 9.059 -5.224 1.00 0.00 N ATOM 878 CA LYS A 58 7.989 8.877 -5.870 1.00 0.00 C ATOM 879 C LYS A 58 7.921 7.751 -6.898 1.00 0.00 C ATOM 880 O LYS A 58 8.167 7.952 -8.086 1.00 0.00 O ATOM 881 CB LYS A 58 9.060 8.558 -4.821 1.00 0.00 C ATOM 882 CG LYS A 58 10.424 8.253 -5.413 1.00 0.00 C ATOM 883 CD LYS A 58 11.492 8.126 -4.336 1.00 0.00 C ATOM 884 CE LYS A 58 12.826 7.683 -4.922 1.00 0.00 C ATOM 885 NZ LYS A 58 13.915 7.678 -3.908 1.00 0.00 N ATOM 0 H LYS A 58 6.403 8.269 -4.651 1.00 0.00 H new ATOM 0 HA LYS A 58 8.252 9.802 -6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.151 9.403 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.732 7.704 -4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.373 7.327 -5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.703 9.043 -6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.616 9.084 -3.830 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.168 7.407 -3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.721 6.683 -5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.099 8.348 -5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.803 7.370 -4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.035 8.637 -3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.669 7.024 -3.138 1.00 0.00 H new ATOM 899 N ILE A 59 7.573 6.570 -6.418 1.00 0.00 N ATOM 900 CA ILE A 59 7.511 5.374 -7.242 1.00 0.00 C ATOM 901 C ILE A 59 6.069 5.075 -7.627 1.00 0.00 C ATOM 902 O ILE A 59 5.254 4.745 -6.769 1.00 0.00 O ATOM 903 CB ILE A 59 8.060 4.142 -6.490 1.00 0.00 C ATOM 904 CG1 ILE A 59 9.164 4.543 -5.506 1.00 0.00 C ATOM 905 CG2 ILE A 59 8.569 3.104 -7.476 1.00 0.00 C ATOM 906 CD1 ILE A 59 8.690 4.643 -4.071 1.00 0.00 C ATOM 0 H ILE A 59 7.324 6.412 -5.441 1.00 0.00 H new ATOM 0 HA ILE A 59 8.118 5.564 -8.127 1.00 0.00 H new ATOM 0 HB ILE A 59 7.245 3.704 -5.915 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.972 3.814 -5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.579 5.504 -5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.953 2.242 -6.931 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.753 2.789 -8.126 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.367 3.536 -8.080 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.524 4.931 -3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.902 5.393 -3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.302 3.677 -3.748 1.00 0.00 H new ATOM 918 N LYS A 60 5.745 5.195 -8.900 1.00 0.00 N ATOM 919 CA LYS A 60 4.399 4.891 -9.361 1.00 0.00 C ATOM 920 C LYS A 60 4.366 3.557 -10.096 1.00 0.00 C ATOM 921 O LYS A 60 5.066 3.365 -11.091 1.00 0.00 O ATOM 922 CB LYS A 60 3.864 5.999 -10.267 1.00 0.00 C ATOM 923 CG LYS A 60 4.831 6.395 -11.366 1.00 0.00 C ATOM 924 CD LYS A 60 4.136 7.146 -12.490 1.00 0.00 C ATOM 925 CE LYS A 60 3.312 6.207 -13.359 1.00 0.00 C ATOM 926 NZ LYS A 60 4.167 5.247 -14.110 1.00 0.00 N ATOM 0 H LYS A 60 6.388 5.498 -9.631 1.00 0.00 H new ATOM 0 HA LYS A 60 3.758 4.823 -8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.928 5.670 -10.718 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.635 6.876 -9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.621 7.018 -10.947 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.309 5.502 -11.768 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.489 7.916 -12.070 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.879 7.654 -13.104 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.611 5.655 -12.733 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.719 6.791 -14.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.624 4.842 -14.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.001 5.743 -14.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.474 4.484 -13.473 1.00 0.00 H new ATOM 940 N GLY A 61 3.556 2.638 -9.596 1.00 0.00 N ATOM 941 CA GLY A 61 3.399 1.356 -10.247 1.00 0.00 C ATOM 942 C GLY A 61 4.471 0.367 -9.845 1.00 0.00 C ATOM 943 O GLY A 61 5.151 -0.201 -10.701 1.00 0.00 O ATOM 0 H GLY A 61 3.003 2.758 -8.748 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.420 0.945 -10.002 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.425 1.495 -11.328 1.00 0.00 H new ATOM 947 N LEU A 62 4.635 0.168 -8.547 1.00 0.00 N ATOM 948 CA LEU A 62 5.592 -0.803 -8.056 1.00 0.00 C ATOM 949 C LEU A 62 4.864 -1.927 -7.329 1.00 0.00 C ATOM 950 O LEU A 62 3.904 -1.688 -6.592 1.00 0.00 O ATOM 951 CB LEU A 62 6.645 -0.151 -7.139 1.00 0.00 C ATOM 952 CG LEU A 62 6.210 0.182 -5.705 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.423 0.569 -4.876 1.00 0.00 C ATOM 954 CD2 LEU A 62 5.186 1.307 -5.672 1.00 0.00 C ATOM 0 H LEU A 62 4.120 0.664 -7.820 1.00 0.00 H new ATOM 0 HA LEU A 62 6.123 -1.218 -8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.506 -0.817 -7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.983 0.770 -7.613 1.00 0.00 H new ATOM 0 HG LEU A 62 5.742 -0.708 -5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.109 0.804 -3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.129 -0.261 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.903 1.442 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.904 1.512 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.617 2.204 -6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.302 1.011 -6.237 1.00 0.00 H new ATOM 966 N VAL A 63 5.310 -3.149 -7.558 1.00 0.00 N ATOM 967 CA VAL A 63 4.695 -4.316 -6.951 1.00 0.00 C ATOM 968 C VAL A 63 5.410 -4.666 -5.655 1.00 0.00 C ATOM 969 O VAL A 63 6.595 -5.005 -5.655 1.00 0.00 O ATOM 970 CB VAL A 63 4.729 -5.534 -7.900 1.00 0.00 C ATOM 971 CG1 VAL A 63 4.022 -6.728 -7.275 1.00 0.00 C ATOM 972 CG2 VAL A 63 4.111 -5.189 -9.245 1.00 0.00 C ATOM 0 H VAL A 63 6.102 -3.360 -8.165 1.00 0.00 H new ATOM 0 HA VAL A 63 3.653 -4.071 -6.746 1.00 0.00 H new ATOM 0 HB VAL A 63 5.772 -5.804 -8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.059 -7.573 -7.962 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.517 -6.997 -6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.982 -6.470 -7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.146 -6.062 -9.896 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.074 -4.885 -9.102 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.669 -4.372 -9.703 1.00 0.00 H new ATOM 982 N LEU A 64 4.684 -4.581 -4.558 1.00 0.00 N ATOM 983 CA LEU A 64 5.258 -4.824 -3.243 1.00 0.00 C ATOM 984 C LEU A 64 4.434 -5.813 -2.448 1.00 0.00 C ATOM 985 O LEU A 64 3.205 -5.828 -2.534 1.00 0.00 O ATOM 986 CB LEU A 64 5.378 -3.522 -2.450 1.00 0.00 C ATOM 987 CG LEU A 64 6.599 -2.673 -2.791 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.506 -1.309 -2.124 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.864 -3.400 -2.360 1.00 0.00 C ATOM 0 H LEU A 64 3.692 -4.345 -4.548 1.00 0.00 H new ATOM 0 HA LEU A 64 6.250 -5.245 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.481 -2.927 -2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.406 -3.762 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 64 6.633 -2.516 -3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.386 -0.718 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.610 -0.794 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.455 -1.436 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.735 -2.792 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.834 -3.575 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.931 -4.355 -2.882 1.00 0.00 H new ATOM 1001 N ARG A 65 5.123 -6.650 -1.692 1.00 0.00 N ATOM 1002 CA ARG A 65 4.473 -7.488 -0.707 1.00 0.00 C ATOM 1003 C ARG A 65 3.770 -6.616 0.318 1.00 0.00 C ATOM 1004 O ARG A 65 4.359 -5.687 0.876 1.00 0.00 O ATOM 1005 CB ARG A 65 5.481 -8.401 -0.011 1.00 0.00 C ATOM 1006 CG ARG A 65 6.808 -7.728 0.293 1.00 0.00 C ATOM 1007 CD ARG A 65 7.671 -8.580 1.213 1.00 0.00 C ATOM 1008 NE ARG A 65 7.690 -9.981 0.798 1.00 0.00 N ATOM 1009 CZ ARG A 65 8.740 -10.596 0.255 1.00 0.00 C ATOM 1010 NH1 ARG A 65 9.894 -9.960 0.095 1.00 0.00 N ATOM 1011 NH2 ARG A 65 8.632 -11.860 -0.118 1.00 0.00 N ATOM 0 H ARG A 65 6.135 -6.765 -1.744 1.00 0.00 H new ATOM 0 HA ARG A 65 3.742 -8.117 -1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.046 -8.764 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.662 -9.273 -0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.343 -7.540 -0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.627 -6.759 0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.689 -8.190 1.221 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.294 -8.509 2.233 1.00 0.00 H new ATOM 0 HE ARG A 65 6.839 -10.527 0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.986 -8.988 0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.689 -10.444 -0.322 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.750 -12.356 0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.431 -12.339 -0.535 1.00 0.00 H new ATOM 1025 N THR A 66 2.522 -6.926 0.576 1.00 0.00 N ATOM 1026 CA THR A 66 1.707 -6.123 1.462 1.00 0.00 C ATOM 1027 C THR A 66 1.862 -6.601 2.909 1.00 0.00 C ATOM 1028 O THR A 66 1.012 -6.344 3.762 1.00 0.00 O ATOM 1029 CB THR A 66 0.224 -6.167 1.019 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.570 -5.298 1.833 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.323 -7.585 1.085 1.00 0.00 C ATOM 0 H THR A 66 2.043 -7.736 0.182 1.00 0.00 H new ATOM 0 HA THR A 66 2.046 -5.088 1.409 1.00 0.00 H new ATOM 0 HB THR A 66 0.174 -5.826 -0.015 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.186 -5.252 2.734 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.366 -7.588 0.769 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.258 -8.230 0.426 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.253 -7.955 2.108 1.00 0.00 H new ATOM 1039 N GLU A 67 2.995 -7.245 3.192 1.00 0.00 N ATOM 1040 CA GLU A 67 3.232 -7.837 4.503 1.00 0.00 C ATOM 1041 C GLU A 67 3.723 -6.772 5.457 1.00 0.00 C ATOM 1042 O GLU A 67 3.652 -6.909 6.677 1.00 0.00 O ATOM 1043 CB GLU A 67 4.270 -8.947 4.385 1.00 0.00 C ATOM 1044 CG GLU A 67 3.981 -9.893 3.243 1.00 0.00 C ATOM 1045 CD GLU A 67 4.842 -11.138 3.280 1.00 0.00 C ATOM 1046 OE1 GLU A 67 4.649 -11.974 4.187 1.00 0.00 O ATOM 1047 OE2 GLU A 67 5.719 -11.283 2.403 1.00 0.00 O ATOM 0 H GLU A 67 3.761 -7.368 2.529 1.00 0.00 H new ATOM 0 HA GLU A 67 2.302 -8.259 4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.256 -8.504 4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.303 -9.509 5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.931 -10.182 3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.141 -9.374 2.298 1.00 0.00 H new ATOM 1054 N PHE A 68 4.226 -5.711 4.868 1.00 0.00 N ATOM 1055 CA PHE A 68 4.746 -4.589 5.625 1.00 0.00 C ATOM 1056 C PHE A 68 3.940 -3.329 5.338 1.00 0.00 C ATOM 1057 O PHE A 68 4.374 -2.211 5.623 1.00 0.00 O ATOM 1058 CB PHE A 68 6.229 -4.383 5.307 1.00 0.00 C ATOM 1059 CG PHE A 68 6.533 -4.078 3.864 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.362 -2.803 3.357 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.008 -5.069 3.023 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.656 -2.520 2.038 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.303 -4.792 1.703 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.126 -3.518 1.210 1.00 0.00 C ATOM 0 H PHE A 68 4.287 -5.599 3.856 1.00 0.00 H new ATOM 0 HA PHE A 68 4.652 -4.807 6.689 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.607 -3.567 5.923 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.775 -5.281 5.596 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.994 -2.018 4.001 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.149 -6.070 3.403 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.518 -1.519 1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.673 -5.574 1.057 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.355 -3.301 0.177 1.00 0.00 H new ATOM 1074 N LEU A 69 2.752 -3.517 4.786 1.00 0.00 N ATOM 1075 CA LEU A 69 1.884 -2.401 4.471 1.00 0.00 C ATOM 1076 C LEU A 69 0.647 -2.443 5.343 1.00 0.00 C ATOM 1077 O LEU A 69 0.139 -3.514 5.675 1.00 0.00 O ATOM 1078 CB LEU A 69 1.480 -2.419 2.996 1.00 0.00 C ATOM 1079 CG LEU A 69 2.640 -2.416 1.994 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.121 -2.624 0.583 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.417 -1.114 2.077 1.00 0.00 C ATOM 0 H LEU A 69 2.370 -4.432 4.548 1.00 0.00 H new ATOM 0 HA LEU A 69 2.432 -1.479 4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.869 -3.303 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.850 -1.551 2.799 1.00 0.00 H new ATOM 0 HG LEU A 69 3.311 -3.237 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.957 -2.619 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.603 -3.581 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.430 -1.821 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.236 -1.132 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.754 -0.279 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.820 -0.994 3.083 1.00 0.00 H new ATOM 1093 N LYS A 70 0.185 -1.275 5.723 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.996 -1.139 6.554 1.00 0.00 C ATOM 1095 C LYS A 70 -2.093 -0.463 5.760 1.00 0.00 C ATOM 1096 O LYS A 70 -1.870 0.605 5.199 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.680 -0.287 7.783 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.192 -0.864 9.094 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.681 -1.181 9.045 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.496 -0.280 9.965 1.00 0.00 C ATOM 1101 NZ LYS A 70 -3.660 1.092 9.413 1.00 0.00 N ATOM 0 H LYS A 70 0.616 -0.387 5.466 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.318 -2.130 6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.400 -0.159 7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.110 0.705 7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.637 -1.772 9.330 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.000 -0.155 9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.040 -1.071 8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.838 -2.222 9.328 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.478 -0.724 10.127 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.008 -0.222 10.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.380 1.603 9.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.755 1.600 9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.960 1.033 8.419 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.263 -1.072 5.709 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.398 -0.445 5.055 1.00 0.00 C ATOM 1117 C LYS A 71 -4.689 0.881 5.761 1.00 0.00 C ATOM 1118 O LYS A 71 -4.859 0.926 6.983 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.614 -1.382 5.073 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.709 -1.005 4.082 1.00 0.00 C ATOM 1121 CD LYS A 71 -7.451 0.251 4.497 1.00 0.00 C ATOM 1122 CE LYS A 71 -8.451 0.681 3.444 1.00 0.00 C ATOM 1123 NZ LYS A 71 -9.116 1.955 3.810 1.00 0.00 N ATOM 0 H LYS A 71 -3.452 -1.991 6.108 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.170 -0.246 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.279 -2.397 4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.036 -1.391 6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.268 -0.856 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.416 -1.830 3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.968 0.074 5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.737 1.056 4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.944 0.797 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.202 -0.098 3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.219 2.549 2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.055 1.754 4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.540 2.457 4.516 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.710 1.955 4.989 1.00 0.00 N ATOM 1138 CA ALA A 72 -4.774 3.302 5.543 1.00 0.00 C ATOM 1139 C ALA A 72 -6.128 3.602 6.176 1.00 0.00 C ATOM 1140 O ALA A 72 -7.175 3.460 5.538 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.448 4.327 4.469 1.00 0.00 C ATOM 0 H ALA A 72 -4.684 1.922 3.970 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.029 3.364 6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.499 5.329 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.444 4.146 4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.167 4.242 3.654 1.00 0.00 H new ATOM 1147 N GLY A 73 -6.091 4.012 7.440 1.00 0.00 N ATOM 1148 CA GLY A 73 -7.300 4.384 8.148 1.00 0.00 C ATOM 1149 C GLY A 73 -8.252 3.220 8.323 1.00 0.00 C ATOM 1150 O GLY A 73 -7.892 2.194 8.905 1.00 0.00 O ATOM 0 H GLY A 73 -5.236 4.093 7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.035 4.783 9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.804 5.183 7.604 1.00 0.00 H new ATOM 1154 N SER A 74 -9.464 3.386 7.826 1.00 0.00 N ATOM 1155 CA SER A 74 -10.468 2.342 7.874 1.00 0.00 C ATOM 1156 C SER A 74 -10.831 1.923 6.456 1.00 0.00 C ATOM 1157 O SER A 74 -11.541 2.685 5.772 1.00 0.00 O ATOM 1158 CB SER A 74 -11.706 2.835 8.628 1.00 0.00 C ATOM 1159 OG SER A 74 -11.360 3.288 9.931 1.00 0.00 O ATOM 1160 OXT SER A 74 -10.369 0.856 6.013 1.00 0.00 O ATOM 0 H SER A 74 -9.779 4.247 7.379 1.00 0.00 H new ATOM 0 HA SER A 74 -10.069 1.478 8.406 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.178 3.644 8.071 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.437 2.030 8.701 1.00 0.00 H new ATOM 0 HG SER A 74 -12.166 3.600 10.394 1.00 0.00 H new TER 1166 SER A 74