USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 911 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 75 HIS :FLIP no HE2:sc= -0.472 F(o=-1.2,f=-0.47) USER MOD Set 1.2: A 79 THR OG1 : rot -140:sc= 0.00438 USER MOD Set 2.1: A 60 SER OG : rot 180:sc= -0.33 USER MOD Set 2.2: A 63 ASN : amide:sc= -0.246 X(o=-0.58,f=-1) USER MOD Set 3.1: A 47 GLN : amide:sc= -0.667 K(o=-0.72,f=-1.7) USER MOD Set 3.2: A 72 GLN : amide:sc= -0.057 X(o=-0.72,f=-1.1) USER MOD Set 4.1: A 35 GLN : amide:sc= 0 X(o=0.64,f=0.86) USER MOD Set 4.2: A 39 THR OG1 : rot 86:sc= 0.644 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 HIS : no HD1:sc= -0.85 K(o=-0.85,f=-2.9!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 11 MET CE :methyl 155:sc= -0.0959 (180deg=-1.07) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 165:sc= -0.89 USER MOD Single : A 27 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.013) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.277 F(o=-1.5,f=-0.28) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.05) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc=-0.000554 X(o=-0.00055,f=-0.039) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : A 62 SER OG : rot -130:sc= 0 USER MOD Single : A 67 ASN : amide:sc=-0.00996 K(o=-0.01,f=-0.85) USER MOD Single : A 73 TYR OH : rot 165:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.0769 X(o=-0.077,f=-0.077) USER MOD Single : A 91 ASN : amide:sc= -0.0253 K(o=-0.025,f=-0.66) USER MOD Single : A 93 MET CE :methyl -121:sc= -0.108 (180deg=-2.05!) USER MOD Single : A 97 LYS NZ :NH3+ -111:sc= -1.16 (180deg=-3.46!) USER MOD Single : A 99 TYR OH : rot 30:sc= -0.616 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.193 16.933 -7.498 1.00 14.04 N ATOM 2 CA GLY A 1 15.616 15.605 -6.972 1.00 13.85 C ATOM 3 C GLY A 1 15.730 14.559 -8.064 1.00 13.29 C ATOM 4 O GLY A 1 16.820 14.304 -8.575 1.00 13.45 O ATOM 0 H1 GLY A 1 15.130 17.613 -6.714 1.00 14.04 H new ATOM 0 H2 GLY A 1 15.890 17.269 -8.192 1.00 14.04 H new ATOM 0 H3 GLY A 1 14.263 16.845 -7.956 1.00 14.04 H new ATOM 0 HA2 GLY A 1 16.577 15.706 -6.468 1.00 13.85 H new ATOM 0 HA3 GLY A 1 14.898 15.268 -6.224 1.00 13.85 H new ATOM 10 N SER A 2 14.599 13.954 -8.418 1.00 12.81 N ATOM 11 CA SER A 2 14.566 12.927 -9.455 1.00 12.44 C ATOM 12 C SER A 2 15.524 11.786 -9.125 1.00 11.66 C ATOM 13 O SER A 2 16.569 11.635 -9.761 1.00 11.62 O ATOM 14 CB SER A 2 14.920 13.532 -10.816 1.00 13.00 C ATOM 15 OG SER A 2 14.726 12.593 -11.858 1.00 13.39 O ATOM 0 H SER A 2 13.691 14.158 -8.000 1.00 12.81 H new ATOM 0 HA SER A 2 13.554 12.524 -9.498 1.00 12.44 H new ATOM 0 HB2 SER A 2 14.304 14.413 -10.997 1.00 13.00 H new ATOM 0 HB3 SER A 2 15.958 13.864 -10.811 1.00 13.00 H new ATOM 0 HG SER A 2 14.958 13.005 -12.717 1.00 13.39 H new ATOM 21 N HIS A 3 15.159 10.986 -8.125 1.00 11.24 N ATOM 22 CA HIS A 3 15.982 9.856 -7.704 1.00 10.68 C ATOM 23 C HIS A 3 17.396 10.313 -7.353 1.00 9.83 C ATOM 24 O HIS A 3 18.354 10.000 -8.061 1.00 9.74 O ATOM 25 CB HIS A 3 16.031 8.793 -8.804 1.00 11.22 C ATOM 26 CG HIS A 3 14.679 8.366 -9.288 1.00 11.78 C ATOM 27 ND1 HIS A 3 13.745 9.248 -9.789 1.00 12.09 N ATOM 28 CD2 HIS A 3 14.106 7.141 -9.348 1.00 12.30 C ATOM 29 CE1 HIS A 3 12.656 8.586 -10.135 1.00 12.74 C ATOM 30 NE2 HIS A 3 12.849 7.305 -9.878 1.00 12.87 N ATOM 0 H HIS A 3 14.297 11.100 -7.591 1.00 11.24 H new ATOM 0 HA HIS A 3 15.530 9.422 -6.813 1.00 10.68 H new ATOM 0 HB2 HIS A 3 16.603 9.181 -9.647 1.00 11.22 H new ATOM 0 HB3 HIS A 3 16.566 7.920 -8.430 1.00 11.22 H new ATOM 0 HD2 HIS A 3 14.554 6.209 -9.037 1.00 12.30 H new ATOM 0 HE1 HIS A 3 11.760 9.018 -10.556 1.00 12.74 H new ATOM 0 HE2 HIS A 3 12.174 6.559 -10.046 1.00 12.87 H new ATOM 39 N MET A 4 17.518 11.054 -6.256 1.00 9.43 N ATOM 40 CA MET A 4 18.814 11.554 -5.811 1.00 8.83 C ATOM 41 C MET A 4 19.068 11.181 -4.353 1.00 8.04 C ATOM 42 O MET A 4 19.604 11.980 -3.583 1.00 8.16 O ATOM 43 CB MET A 4 18.884 13.072 -5.983 1.00 9.24 C ATOM 44 CG MET A 4 20.291 13.593 -6.224 1.00 9.89 C ATOM 45 SD MET A 4 20.797 13.455 -7.949 1.00 10.81 S ATOM 46 CE MET A 4 22.385 12.645 -7.774 1.00 11.46 C ATOM 0 H MET A 4 16.735 11.321 -5.659 1.00 9.43 H new ATOM 0 HA MET A 4 19.586 11.091 -6.425 1.00 8.83 H new ATOM 0 HB2 MET A 4 18.249 13.364 -6.820 1.00 9.24 H new ATOM 0 HB3 MET A 4 18.477 13.549 -5.092 1.00 9.24 H new ATOM 0 HG2 MET A 4 20.345 14.637 -5.916 1.00 9.89 H new ATOM 0 HG3 MET A 4 20.991 13.039 -5.599 1.00 9.89 H new ATOM 0 HE1 MET A 4 22.825 12.490 -8.759 1.00 11.46 H new ATOM 0 HE2 MET A 4 23.048 13.269 -7.175 1.00 11.46 H new ATOM 0 HE3 MET A 4 22.250 11.682 -7.282 1.00 11.46 H new ATOM 56 N SER A 5 18.682 9.963 -3.984 1.00 7.48 N ATOM 57 CA SER A 5 18.865 9.477 -2.621 1.00 6.96 C ATOM 58 C SER A 5 18.192 10.405 -1.614 1.00 5.97 C ATOM 59 O SER A 5 18.851 11.213 -0.960 1.00 5.85 O ATOM 60 CB SER A 5 20.357 9.346 -2.298 1.00 7.28 C ATOM 61 OG SER A 5 21.042 8.653 -3.326 1.00 7.75 O ATOM 0 H SER A 5 18.239 9.293 -4.613 1.00 7.48 H new ATOM 0 HA SER A 5 18.398 8.495 -2.548 1.00 6.96 H new ATOM 0 HB2 SER A 5 20.793 10.337 -2.170 1.00 7.28 H new ATOM 0 HB3 SER A 5 20.483 8.818 -1.353 1.00 7.28 H new ATOM 0 HG SER A 5 21.992 8.584 -3.097 1.00 7.75 H new ATOM 67 N HIS A 6 16.872 10.282 -1.497 1.00 5.62 N ATOM 68 CA HIS A 6 16.106 11.107 -0.569 1.00 5.03 C ATOM 69 C HIS A 6 16.383 10.699 0.876 1.00 4.34 C ATOM 70 O HIS A 6 17.346 9.985 1.156 1.00 4.70 O ATOM 71 CB HIS A 6 14.610 10.991 -0.869 1.00 5.60 C ATOM 72 CG HIS A 6 13.990 12.272 -1.333 1.00 6.21 C ATOM 73 ND1 HIS A 6 13.607 12.495 -2.639 1.00 6.80 N ATOM 74 CD2 HIS A 6 13.684 13.406 -0.656 1.00 6.70 C ATOM 75 CE1 HIS A 6 13.094 13.708 -2.746 1.00 7.53 C ATOM 76 NE2 HIS A 6 13.129 14.281 -1.558 1.00 7.49 N ATOM 0 H HIS A 6 16.312 9.619 -2.033 1.00 5.62 H new ATOM 0 HA HIS A 6 16.416 12.144 -0.699 1.00 5.03 H new ATOM 0 HB2 HIS A 6 14.459 10.227 -1.632 1.00 5.60 H new ATOM 0 HB3 HIS A 6 14.093 10.651 0.029 1.00 5.60 H new ATOM 0 HD2 HIS A 6 13.846 13.588 0.396 1.00 6.70 H new ATOM 0 HE1 HIS A 6 12.711 14.154 -3.652 1.00 7.53 H new ATOM 0 HE2 HIS A 6 12.798 15.222 -1.344 1.00 7.49 H new ATOM 85 N LEU A 7 15.532 11.158 1.790 1.00 3.79 N ATOM 86 CA LEU A 7 15.686 10.840 3.204 1.00 3.54 C ATOM 87 C LEU A 7 14.477 10.071 3.728 1.00 3.05 C ATOM 88 O LEU A 7 14.623 9.076 4.438 1.00 3.39 O ATOM 89 CB LEU A 7 15.882 12.121 4.017 1.00 4.07 C ATOM 90 CG LEU A 7 17.266 12.761 3.893 1.00 4.94 C ATOM 91 CD1 LEU A 7 17.210 14.233 4.269 1.00 5.66 C ATOM 92 CD2 LEU A 7 18.273 12.024 4.762 1.00 5.67 C ATOM 0 H LEU A 7 14.730 11.751 1.576 1.00 3.79 H new ATOM 0 HA LEU A 7 16.568 10.208 3.313 1.00 3.54 H new ATOM 0 HB2 LEU A 7 15.133 12.849 3.706 1.00 4.07 H new ATOM 0 HB3 LEU A 7 15.694 11.899 5.067 1.00 4.07 H new ATOM 0 HG LEU A 7 17.588 12.686 2.854 1.00 4.94 H new ATOM 0 HD11 LEU A 7 18.204 14.671 4.175 1.00 5.66 H new ATOM 0 HD12 LEU A 7 16.520 14.752 3.604 1.00 5.66 H new ATOM 0 HD13 LEU A 7 16.866 14.333 5.298 1.00 5.66 H new ATOM 0 HD21 LEU A 7 19.252 12.493 4.662 1.00 5.67 H new ATOM 0 HD22 LEU A 7 17.955 12.067 5.804 1.00 5.67 H new ATOM 0 HD23 LEU A 7 18.335 10.983 4.444 1.00 5.67 H new ATOM 104 N ASP A 8 13.284 10.538 3.374 1.00 2.65 N ATOM 105 CA ASP A 8 12.049 9.892 3.810 1.00 2.38 C ATOM 106 C ASP A 8 10.928 10.119 2.801 1.00 2.22 C ATOM 107 O ASP A 8 9.874 10.663 3.136 1.00 2.74 O ATOM 108 CB ASP A 8 11.635 10.417 5.187 1.00 2.57 C ATOM 109 CG ASP A 8 11.995 9.457 6.303 1.00 3.32 C ATOM 110 OD1 ASP A 8 11.654 8.260 6.190 1.00 3.77 O ATOM 111 OD2 ASP A 8 12.617 9.901 7.291 1.00 3.86 O ATOM 0 H ASP A 8 13.145 11.361 2.787 1.00 2.65 H new ATOM 0 HA ASP A 8 12.232 8.820 3.879 1.00 2.38 H new ATOM 0 HB2 ASP A 8 12.118 11.377 5.367 1.00 2.57 H new ATOM 0 HB3 ASP A 8 10.560 10.595 5.197 1.00 2.57 H new ATOM 116 N ASN A 9 11.161 9.697 1.563 1.00 1.98 N ATOM 117 CA ASN A 9 10.171 9.850 0.502 1.00 2.16 C ATOM 118 C ASN A 9 10.521 8.977 -0.698 1.00 1.77 C ATOM 119 O ASN A 9 11.690 8.677 -0.941 1.00 2.00 O ATOM 120 CB ASN A 9 10.072 11.315 0.072 1.00 2.89 C ATOM 121 CG ASN A 9 8.786 11.968 0.538 1.00 3.63 C ATOM 122 OD1 ASN A 9 8.795 12.819 1.428 1.00 4.06 O ATOM 123 ND2 ASN A 9 7.671 11.571 -0.063 1.00 4.31 N ATOM 0 H ASN A 9 12.027 9.246 1.269 1.00 1.98 H new ATOM 0 HA ASN A 9 9.205 9.529 0.892 1.00 2.16 H new ATOM 0 HB2 ASN A 9 10.922 11.867 0.473 1.00 2.89 H new ATOM 0 HB3 ASN A 9 10.135 11.377 -1.014 1.00 2.89 H new ATOM 0 HD21 ASN A 9 6.774 11.974 0.208 1.00 4.31 H new ATOM 0 HD22 ASN A 9 7.711 10.863 -0.796 1.00 4.31 H new ATOM 130 N THR A 10 9.499 8.571 -1.445 1.00 1.51 N ATOM 131 CA THR A 10 9.696 7.732 -2.620 1.00 1.25 C ATOM 132 C THR A 10 8.782 8.164 -3.761 1.00 1.22 C ATOM 133 O THR A 10 8.010 9.113 -3.624 1.00 1.93 O ATOM 134 CB THR A 10 9.435 6.248 -2.301 1.00 1.11 C ATOM 135 OG1 THR A 10 9.479 6.036 -0.885 1.00 1.23 O ATOM 136 CG2 THR A 10 10.462 5.357 -2.984 1.00 1.18 C ATOM 0 H THR A 10 8.526 8.810 -1.256 1.00 1.51 H new ATOM 0 HA THR A 10 10.736 7.852 -2.925 1.00 1.25 H new ATOM 0 HB THR A 10 8.445 5.988 -2.677 1.00 1.11 H new ATOM 0 HG1 THR A 10 9.310 5.090 -0.690 1.00 1.23 H new ATOM 0 HG21 THR A 10 10.256 4.314 -2.743 1.00 1.18 H new ATOM 0 HG22 THR A 10 10.406 5.498 -4.063 1.00 1.18 H new ATOM 0 HG23 THR A 10 11.461 5.620 -2.635 1.00 1.18 H new ATOM 144 N MET A 11 8.879 7.463 -4.887 1.00 0.77 N ATOM 145 CA MET A 11 8.060 7.770 -6.054 1.00 0.68 C ATOM 146 C MET A 11 6.576 7.751 -5.699 1.00 0.61 C ATOM 147 O MET A 11 6.096 6.821 -5.049 1.00 0.63 O ATOM 148 CB MET A 11 8.344 6.775 -7.182 1.00 0.70 C ATOM 149 CG MET A 11 8.069 5.329 -6.802 1.00 0.72 C ATOM 150 SD MET A 11 8.446 4.177 -8.137 1.00 1.23 S ATOM 151 CE MET A 11 6.923 3.236 -8.210 1.00 0.74 C ATOM 0 H MET A 11 9.517 6.678 -5.015 1.00 0.77 H new ATOM 0 HA MET A 11 8.319 8.773 -6.394 1.00 0.68 H new ATOM 0 HB2 MET A 11 7.735 7.036 -8.048 1.00 0.70 H new ATOM 0 HB3 MET A 11 9.387 6.870 -7.485 1.00 0.70 H new ATOM 0 HG2 MET A 11 8.661 5.069 -5.925 1.00 0.72 H new ATOM 0 HG3 MET A 11 7.021 5.224 -6.522 1.00 0.72 H new ATOM 0 HE1 MET A 11 6.803 2.815 -9.208 1.00 0.74 H new ATOM 0 HE2 MET A 11 6.958 2.429 -7.478 1.00 0.74 H new ATOM 0 HE3 MET A 11 6.080 3.891 -7.989 1.00 0.74 H new ATOM 161 N ALA A 12 5.860 8.788 -6.121 1.00 0.57 N ATOM 162 CA ALA A 12 4.429 8.895 -5.853 1.00 0.56 C ATOM 163 C ALA A 12 3.695 7.624 -6.265 1.00 0.48 C ATOM 164 O ALA A 12 4.101 6.937 -7.203 1.00 0.46 O ATOM 165 CB ALA A 12 3.848 10.101 -6.575 1.00 0.62 C ATOM 0 H ALA A 12 6.248 9.568 -6.651 1.00 0.57 H new ATOM 0 HA ALA A 12 4.294 9.027 -4.779 1.00 0.56 H new ATOM 0 HB1 ALA A 12 2.780 10.170 -6.367 1.00 0.62 H new ATOM 0 HB2 ALA A 12 4.344 11.007 -6.228 1.00 0.62 H new ATOM 0 HB3 ALA A 12 4.002 9.992 -7.648 1.00 0.62 H new ATOM 171 N ILE A 13 2.617 7.319 -5.554 1.00 0.46 N ATOM 172 CA ILE A 13 1.820 6.134 -5.838 1.00 0.44 C ATOM 173 C ILE A 13 1.251 6.188 -7.257 1.00 0.43 C ATOM 174 O ILE A 13 0.940 5.154 -7.852 1.00 0.45 O ATOM 175 CB ILE A 13 0.686 5.976 -4.794 1.00 0.48 C ATOM 176 CG1 ILE A 13 1.094 4.958 -3.729 1.00 0.65 C ATOM 177 CG2 ILE A 13 -0.631 5.564 -5.443 1.00 0.54 C ATOM 178 CD1 ILE A 13 0.637 5.323 -2.334 1.00 0.58 C ATOM 0 H ILE A 13 2.274 7.879 -4.773 1.00 0.46 H new ATOM 0 HA ILE A 13 2.470 5.262 -5.769 1.00 0.44 H new ATOM 0 HB ILE A 13 0.529 6.947 -4.325 1.00 0.48 H new ATOM 0 HG12 ILE A 13 0.683 3.984 -3.993 1.00 0.65 H new ATOM 0 HG13 ILE A 13 2.179 4.857 -3.732 1.00 0.65 H new ATOM 0 HG21 ILE A 13 -1.399 5.464 -4.676 1.00 0.54 H new ATOM 0 HG22 ILE A 13 -0.934 6.323 -6.164 1.00 0.54 H new ATOM 0 HG23 ILE A 13 -0.502 4.610 -5.954 1.00 0.54 H new ATOM 0 HD11 ILE A 13 0.962 4.555 -1.632 1.00 0.58 H new ATOM 0 HD12 ILE A 13 1.069 6.282 -2.049 1.00 0.58 H new ATOM 0 HD13 ILE A 13 -0.450 5.395 -2.315 1.00 0.58 H new ATOM 190 N ARG A 14 1.128 7.399 -7.795 1.00 0.47 N ATOM 191 CA ARG A 14 0.608 7.590 -9.146 1.00 0.53 C ATOM 192 C ARG A 14 1.443 6.816 -10.165 1.00 0.51 C ATOM 193 O ARG A 14 1.026 6.628 -11.308 1.00 0.66 O ATOM 194 CB ARG A 14 0.588 9.077 -9.506 1.00 0.62 C ATOM 195 CG ARG A 14 1.961 9.732 -9.490 1.00 1.28 C ATOM 196 CD ARG A 14 2.531 9.868 -10.893 1.00 1.42 C ATOM 197 NE ARG A 14 2.350 11.215 -11.431 1.00 1.82 N ATOM 198 CZ ARG A 14 3.146 12.239 -11.141 1.00 2.23 C ATOM 199 NH1 ARG A 14 4.174 12.076 -10.317 1.00 2.63 N ATOM 200 NH2 ARG A 14 2.915 13.431 -11.673 1.00 2.82 N ATOM 0 H ARG A 14 1.382 8.263 -7.316 1.00 0.47 H new ATOM 0 HA ARG A 14 -0.412 7.206 -9.172 1.00 0.53 H new ATOM 0 HB2 ARG A 14 0.151 9.195 -10.498 1.00 0.62 H new ATOM 0 HB3 ARG A 14 -0.063 9.602 -8.806 1.00 0.62 H new ATOM 0 HG2 ARG A 14 1.890 10.717 -9.028 1.00 1.28 H new ATOM 0 HG3 ARG A 14 2.640 9.140 -8.876 1.00 1.28 H new ATOM 0 HD2 ARG A 14 3.593 9.624 -10.878 1.00 1.42 H new ATOM 0 HD3 ARG A 14 2.048 9.147 -11.552 1.00 1.42 H new ATOM 0 HE ARG A 14 1.568 11.378 -12.065 1.00 1.82 H new ATOM 0 HH11 ARG A 14 4.356 11.162 -9.903 1.00 2.63 H new ATOM 0 HH12 ARG A 14 4.782 12.865 -10.098 1.00 2.63 H new ATOM 0 HH21 ARG A 14 2.126 13.563 -12.306 1.00 2.82 H new ATOM 0 HH22 ARG A 14 3.526 14.216 -11.450 1.00 2.82 H new ATOM 214 N LEU A 15 2.624 6.372 -9.742 1.00 0.43 N ATOM 215 CA LEU A 15 3.517 5.617 -10.607 1.00 0.46 C ATOM 216 C LEU A 15 3.331 4.124 -10.379 1.00 0.42 C ATOM 217 O LEU A 15 3.521 3.321 -11.292 1.00 0.44 O ATOM 218 CB LEU A 15 4.973 6.014 -10.349 1.00 0.54 C ATOM 219 CG LEU A 15 5.837 6.158 -11.605 1.00 0.64 C ATOM 220 CD1 LEU A 15 6.830 7.298 -11.443 1.00 1.44 C ATOM 221 CD2 LEU A 15 6.563 4.855 -11.904 1.00 1.51 C ATOM 0 H LEU A 15 2.983 6.525 -8.800 1.00 0.43 H new ATOM 0 HA LEU A 15 3.273 5.847 -11.644 1.00 0.46 H new ATOM 0 HB2 LEU A 15 4.985 6.960 -9.807 1.00 0.54 H new ATOM 0 HB3 LEU A 15 5.427 5.268 -9.697 1.00 0.54 H new ATOM 0 HG LEU A 15 5.184 6.389 -12.447 1.00 0.64 H new ATOM 0 HD11 LEU A 15 7.435 7.385 -12.346 1.00 1.44 H new ATOM 0 HD12 LEU A 15 6.290 8.230 -11.277 1.00 1.44 H new ATOM 0 HD13 LEU A 15 7.478 7.098 -10.590 1.00 1.44 H new ATOM 0 HD21 LEU A 15 7.172 4.975 -12.800 1.00 1.51 H new ATOM 0 HD22 LEU A 15 7.204 4.594 -11.062 1.00 1.51 H new ATOM 0 HD23 LEU A 15 5.834 4.061 -12.065 1.00 1.51 H new ATOM 233 N LEU A 16 2.961 3.762 -9.150 1.00 0.38 N ATOM 234 CA LEU A 16 2.734 2.366 -8.795 1.00 0.38 C ATOM 235 C LEU A 16 1.772 1.717 -9.788 1.00 0.36 C ATOM 236 O LEU A 16 0.572 1.991 -9.763 1.00 0.35 O ATOM 237 CB LEU A 16 2.167 2.261 -7.375 1.00 0.39 C ATOM 238 CG LEU A 16 2.711 1.098 -6.538 1.00 0.67 C ATOM 239 CD1 LEU A 16 2.386 -0.237 -7.194 1.00 0.92 C ATOM 240 CD2 LEU A 16 4.213 1.242 -6.333 1.00 0.93 C ATOM 0 H LEU A 16 2.813 4.420 -8.384 1.00 0.38 H new ATOM 0 HA LEU A 16 3.689 1.841 -8.832 1.00 0.38 H new ATOM 0 HB2 LEU A 16 2.373 3.193 -6.849 1.00 0.39 H new ATOM 0 HB3 LEU A 16 1.083 2.165 -7.440 1.00 0.39 H new ATOM 0 HG LEU A 16 2.227 1.125 -5.562 1.00 0.67 H new ATOM 0 HD11 LEU A 16 2.781 -1.048 -6.583 1.00 0.92 H new ATOM 0 HD12 LEU A 16 1.305 -0.344 -7.284 1.00 0.92 H new ATOM 0 HD13 LEU A 16 2.839 -0.275 -8.185 1.00 0.92 H new ATOM 0 HD21 LEU A 16 4.581 0.407 -5.737 1.00 0.93 H new ATOM 0 HD22 LEU A 16 4.714 1.245 -7.301 1.00 0.93 H new ATOM 0 HD23 LEU A 16 4.421 2.178 -5.814 1.00 0.93 H new ATOM 252 N PRO A 17 2.283 0.846 -10.676 1.00 0.38 N ATOM 253 CA PRO A 17 1.458 0.175 -11.689 1.00 0.40 C ATOM 254 C PRO A 17 0.395 -0.728 -11.071 1.00 0.35 C ATOM 255 O PRO A 17 0.713 -1.715 -10.407 1.00 0.35 O ATOM 256 CB PRO A 17 2.476 -0.645 -12.494 1.00 0.46 C ATOM 257 CG PRO A 17 3.789 -0.004 -12.200 1.00 0.48 C ATOM 258 CD PRO A 17 3.694 0.438 -10.775 1.00 0.43 C ATOM 0 HA PRO A 17 0.897 0.886 -12.295 1.00 0.40 H new ATOM 0 HB2 PRO A 17 2.469 -1.692 -12.192 1.00 0.46 H new ATOM 0 HB3 PRO A 17 2.252 -0.619 -13.560 1.00 0.46 H new ATOM 0 HG2 PRO A 17 4.611 -0.706 -12.342 1.00 0.48 H new ATOM 0 HG3 PRO A 17 3.973 0.841 -12.864 1.00 0.48 H new ATOM 0 HD2 PRO A 17 3.936 -0.367 -10.081 1.00 0.43 H new ATOM 0 HD3 PRO A 17 4.373 1.262 -10.557 1.00 0.43 H new ATOM 266 N LEU A 18 -0.867 -0.374 -11.296 1.00 0.40 N ATOM 267 CA LEU A 18 -1.995 -1.139 -10.768 1.00 0.41 C ATOM 268 C LEU A 18 -1.914 -2.619 -11.158 1.00 0.36 C ATOM 269 O LEU A 18 -2.052 -3.487 -10.296 1.00 0.37 O ATOM 270 CB LEU A 18 -3.319 -0.543 -11.256 1.00 0.51 C ATOM 271 CG LEU A 18 -3.964 0.471 -10.309 1.00 0.76 C ATOM 272 CD1 LEU A 18 -4.879 1.411 -11.080 1.00 1.36 C ATOM 273 CD2 LEU A 18 -4.736 -0.242 -9.210 1.00 1.64 C ATOM 0 H LEU A 18 -1.136 0.443 -11.844 1.00 0.40 H new ATOM 0 HA LEU A 18 -1.949 -1.077 -9.681 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -3.149 -0.061 -12.219 1.00 0.51 H new ATOM 0 HB3 LEU A 18 -4.024 -1.356 -11.427 1.00 0.51 H new ATOM 0 HG LEU A 18 -3.174 1.062 -9.846 1.00 0.76 H new ATOM 0 HD11 LEU A 18 -5.330 2.126 -10.392 1.00 1.36 H new ATOM 0 HD12 LEU A 18 -4.300 1.947 -11.832 1.00 1.36 H new ATOM 0 HD13 LEU A 18 -5.664 0.834 -11.570 1.00 1.36 H new ATOM 0 HD21 LEU A 18 -5.188 0.495 -8.546 1.00 1.64 H new ATOM 0 HD22 LEU A 18 -5.518 -0.857 -9.655 1.00 1.64 H new ATOM 0 HD23 LEU A 18 -4.056 -0.875 -8.640 1.00 1.64 H new ATOM 285 N PRO A 19 -1.697 -2.940 -12.456 1.00 0.36 N ATOM 286 CA PRO A 19 -1.610 -4.331 -12.914 1.00 0.41 C ATOM 287 C PRO A 19 -0.651 -5.160 -12.066 1.00 0.39 C ATOM 288 O PRO A 19 -0.832 -6.366 -11.909 1.00 0.44 O ATOM 289 CB PRO A 19 -1.097 -4.221 -14.359 1.00 0.49 C ATOM 290 CG PRO A 19 -0.689 -2.795 -14.538 1.00 0.59 C ATOM 291 CD PRO A 19 -1.518 -2.000 -13.573 1.00 0.40 C ATOM 0 HA PRO A 19 -2.572 -4.838 -12.838 1.00 0.41 H new ATOM 0 HB2 PRO A 19 -0.255 -4.893 -14.527 1.00 0.49 H new ATOM 0 HB3 PRO A 19 -1.874 -4.498 -15.072 1.00 0.49 H new ATOM 0 HG2 PRO A 19 0.374 -2.666 -14.336 1.00 0.59 H new ATOM 0 HG3 PRO A 19 -0.862 -2.466 -15.563 1.00 0.59 H new ATOM 0 HD2 PRO A 19 -1.011 -1.088 -13.258 1.00 0.40 H new ATOM 0 HD3 PRO A 19 -2.472 -1.701 -14.008 1.00 0.40 H new ATOM 299 N VAL A 20 0.367 -4.502 -11.523 1.00 0.38 N ATOM 300 CA VAL A 20 1.350 -5.174 -10.682 1.00 0.44 C ATOM 301 C VAL A 20 0.878 -5.220 -9.233 1.00 0.42 C ATOM 302 O VAL A 20 1.117 -6.196 -8.521 1.00 0.46 O ATOM 303 CB VAL A 20 2.720 -4.473 -10.744 1.00 0.51 C ATOM 304 CG1 VAL A 20 3.769 -5.279 -9.992 1.00 0.65 C ATOM 305 CG2 VAL A 20 3.141 -4.253 -12.189 1.00 0.56 C ATOM 0 H VAL A 20 0.533 -3.504 -11.650 1.00 0.38 H new ATOM 0 HA VAL A 20 1.458 -6.189 -11.064 1.00 0.44 H new ATOM 0 HB VAL A 20 2.631 -3.499 -10.262 1.00 0.51 H new ATOM 0 HG11 VAL A 20 4.730 -4.767 -10.048 1.00 0.65 H new ATOM 0 HG12 VAL A 20 3.471 -5.380 -8.948 1.00 0.65 H new ATOM 0 HG13 VAL A 20 3.858 -6.268 -10.441 1.00 0.65 H new ATOM 0 HG21 VAL A 20 4.111 -3.757 -12.214 1.00 0.56 H new ATOM 0 HG22 VAL A 20 3.212 -5.214 -12.698 1.00 0.56 H new ATOM 0 HG23 VAL A 20 2.402 -3.630 -12.693 1.00 0.56 H new ATOM 315 N ARG A 21 0.210 -4.153 -8.805 1.00 0.42 N ATOM 316 CA ARG A 21 -0.306 -4.060 -7.443 1.00 0.46 C ATOM 317 C ARG A 21 -1.295 -5.185 -7.159 1.00 0.39 C ATOM 318 O ARG A 21 -1.469 -5.597 -6.013 1.00 0.38 O ATOM 319 CB ARG A 21 -0.982 -2.705 -7.226 1.00 0.54 C ATOM 320 CG ARG A 21 -1.316 -2.414 -5.773 1.00 1.17 C ATOM 321 CD ARG A 21 -0.188 -1.664 -5.081 1.00 0.77 C ATOM 322 NE ARG A 21 0.052 -2.165 -3.731 1.00 1.75 N ATOM 323 CZ ARG A 21 1.237 -2.132 -3.129 1.00 2.57 C ATOM 324 NH1 ARG A 21 2.290 -1.623 -3.756 1.00 2.82 N ATOM 325 NH2 ARG A 21 1.370 -2.607 -1.899 1.00 3.62 N ATOM 0 H ARG A 21 0.013 -3.337 -9.385 1.00 0.42 H new ATOM 0 HA ARG A 21 0.533 -4.156 -6.754 1.00 0.46 H new ATOM 0 HB2 ARG A 21 -0.329 -1.919 -7.604 1.00 0.54 H new ATOM 0 HB3 ARG A 21 -1.899 -2.668 -7.815 1.00 0.54 H new ATOM 0 HG2 ARG A 21 -2.232 -1.825 -5.720 1.00 1.17 H new ATOM 0 HG3 ARG A 21 -1.508 -3.350 -5.248 1.00 1.17 H new ATOM 0 HD2 ARG A 21 0.724 -1.757 -5.670 1.00 0.77 H new ATOM 0 HD3 ARG A 21 -0.432 -0.603 -5.036 1.00 0.77 H new ATOM 0 HE ARG A 21 -0.735 -2.564 -3.220 1.00 1.75 H new ATOM 0 HH11 ARG A 21 2.192 -1.256 -4.702 1.00 2.82 H new ATOM 0 HH12 ARG A 21 3.198 -1.599 -3.291 1.00 2.82 H new ATOM 0 HH21 ARG A 21 0.563 -2.998 -1.413 1.00 3.62 H new ATOM 0 HH22 ARG A 21 2.279 -2.581 -1.438 1.00 3.62 H new ATOM 339 N ALA A 22 -1.943 -5.673 -8.213 1.00 0.40 N ATOM 340 CA ALA A 22 -2.919 -6.750 -8.087 1.00 0.40 C ATOM 341 C ALA A 22 -2.295 -7.993 -7.461 1.00 0.35 C ATOM 342 O ALA A 22 -2.992 -8.819 -6.870 1.00 0.37 O ATOM 343 CB ALA A 22 -3.511 -7.084 -9.447 1.00 0.48 C ATOM 0 H ALA A 22 -1.809 -5.338 -9.167 1.00 0.40 H new ATOM 0 HA ALA A 22 -3.716 -6.407 -7.427 1.00 0.40 H new ATOM 0 HB1 ALA A 22 -4.238 -7.889 -9.340 1.00 0.48 H new ATOM 0 HB2 ALA A 22 -4.004 -6.202 -9.856 1.00 0.48 H new ATOM 0 HB3 ALA A 22 -2.716 -7.401 -10.122 1.00 0.48 H new ATOM 349 N GLN A 23 -0.978 -8.120 -7.593 1.00 0.36 N ATOM 350 CA GLN A 23 -0.257 -9.266 -7.047 1.00 0.39 C ATOM 351 C GLN A 23 -0.273 -9.257 -5.520 1.00 0.34 C ATOM 352 O GLN A 23 -0.508 -10.288 -4.890 1.00 0.42 O ATOM 353 CB GLN A 23 1.186 -9.271 -7.551 1.00 0.49 C ATOM 354 CG GLN A 23 1.809 -10.656 -7.602 1.00 0.96 C ATOM 355 CD GLN A 23 3.055 -10.704 -8.465 1.00 1.44 C ATOM 356 OE1 GLN A 23 2.983 -10.574 -9.687 1.00 2.14 O ATOM 357 NE2 GLN A 23 4.207 -10.891 -7.832 1.00 2.10 N ATOM 0 H GLN A 23 -0.387 -7.442 -8.074 1.00 0.36 H new ATOM 0 HA GLN A 23 -0.762 -10.170 -7.387 1.00 0.39 H new ATOM 0 HB2 GLN A 23 1.215 -8.832 -8.548 1.00 0.49 H new ATOM 0 HB3 GLN A 23 1.790 -8.634 -6.905 1.00 0.49 H new ATOM 0 HG2 GLN A 23 2.060 -10.975 -6.590 1.00 0.96 H new ATOM 0 HG3 GLN A 23 1.077 -11.366 -7.988 1.00 0.96 H new ATOM 0 HE21 GLN A 23 4.221 -10.994 -6.817 1.00 2.10 H new ATOM 0 HE22 GLN A 23 5.079 -10.932 -8.360 1.00 2.10 H new ATOM 366 N LEU A 24 -0.020 -8.091 -4.932 1.00 0.29 N ATOM 367 CA LEU A 24 -0.001 -7.961 -3.479 1.00 0.30 C ATOM 368 C LEU A 24 -1.410 -7.765 -2.924 1.00 0.30 C ATOM 369 O LEU A 24 -1.689 -8.122 -1.780 1.00 0.31 O ATOM 370 CB LEU A 24 0.905 -6.793 -3.056 1.00 0.38 C ATOM 371 CG LEU A 24 1.114 -6.625 -1.544 1.00 0.43 C ATOM 372 CD1 LEU A 24 0.010 -5.768 -0.943 1.00 1.51 C ATOM 373 CD2 LEU A 24 1.194 -7.980 -0.854 1.00 1.40 C ATOM 0 H LEU A 24 0.174 -7.226 -5.437 1.00 0.29 H new ATOM 0 HA LEU A 24 0.400 -8.886 -3.065 1.00 0.30 H new ATOM 0 HB2 LEU A 24 1.879 -6.925 -3.526 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.483 -5.869 -3.451 1.00 0.38 H new ATOM 0 HG LEU A 24 2.063 -6.114 -1.384 1.00 0.43 H new ATOM 0 HD11 LEU A 24 0.176 -5.661 0.129 1.00 1.51 H new ATOM 0 HD12 LEU A 24 0.017 -4.784 -1.412 1.00 1.51 H new ATOM 0 HD13 LEU A 24 -0.955 -6.245 -1.115 1.00 1.51 H new ATOM 0 HD21 LEU A 24 1.342 -7.835 0.216 1.00 1.40 H new ATOM 0 HD22 LEU A 24 0.267 -8.529 -1.021 1.00 1.40 H new ATOM 0 HD23 LEU A 24 2.030 -8.548 -1.263 1.00 1.40 H new ATOM 385 N CYS A 25 -2.298 -7.209 -3.742 1.00 0.34 N ATOM 386 CA CYS A 25 -3.673 -6.968 -3.318 1.00 0.39 C ATOM 387 C CYS A 25 -4.343 -8.273 -2.905 1.00 0.39 C ATOM 388 O CYS A 25 -5.004 -8.345 -1.870 1.00 0.42 O ATOM 389 CB CYS A 25 -4.470 -6.304 -4.442 1.00 0.47 C ATOM 390 SG CYS A 25 -4.139 -4.538 -4.637 1.00 0.55 S ATOM 0 H CYS A 25 -2.092 -6.918 -4.698 1.00 0.34 H new ATOM 0 HA CYS A 25 -3.652 -6.299 -2.458 1.00 0.39 H new ATOM 0 HB2 CYS A 25 -4.245 -6.811 -5.381 1.00 0.47 H new ATOM 0 HB3 CYS A 25 -5.534 -6.444 -4.251 1.00 0.47 H new ATOM 0 HG CYS A 25 -4.597 -4.135 -5.785 1.00 0.55 H new ATOM 396 N ALA A 26 -4.166 -9.300 -3.726 1.00 0.40 N ATOM 397 CA ALA A 26 -4.737 -10.611 -3.451 1.00 0.45 C ATOM 398 C ALA A 26 -4.195 -11.174 -2.145 1.00 0.42 C ATOM 399 O ALA A 26 -4.936 -11.734 -1.336 1.00 0.46 O ATOM 400 CB ALA A 26 -4.422 -11.558 -4.594 1.00 0.52 C ATOM 0 H ALA A 26 -3.629 -9.249 -4.592 1.00 0.40 H new ATOM 0 HA ALA A 26 -5.818 -10.505 -3.356 1.00 0.45 H new ATOM 0 HB1 ALA A 26 -4.851 -12.538 -4.384 1.00 0.52 H new ATOM 0 HB2 ALA A 26 -4.847 -11.167 -5.518 1.00 0.52 H new ATOM 0 HB3 ALA A 26 -3.341 -11.651 -4.702 1.00 0.52 H new ATOM 406 N HIS A 27 -2.891 -11.017 -1.954 1.00 0.37 N ATOM 407 CA HIS A 27 -2.218 -11.503 -0.757 1.00 0.37 C ATOM 408 C HIS A 27 -2.821 -10.886 0.502 1.00 0.38 C ATOM 409 O HIS A 27 -3.270 -11.599 1.400 1.00 0.44 O ATOM 410 CB HIS A 27 -0.727 -11.179 -0.841 1.00 0.37 C ATOM 411 CG HIS A 27 0.045 -11.550 0.388 1.00 0.42 C ATOM 412 ND1 HIS A 27 0.174 -12.850 0.830 1.00 0.62 N ATOM 413 CD2 HIS A 27 0.732 -10.785 1.269 1.00 0.55 C ATOM 414 CE1 HIS A 27 0.907 -12.869 1.930 1.00 0.72 C ATOM 415 NE2 HIS A 27 1.258 -11.630 2.216 1.00 0.68 N ATOM 0 H HIS A 27 -2.274 -10.552 -2.620 1.00 0.37 H new ATOM 0 HA HIS A 27 -2.353 -12.583 -0.698 1.00 0.37 H new ATOM 0 HB2 HIS A 27 -0.300 -11.700 -1.698 1.00 0.37 H new ATOM 0 HB3 HIS A 27 -0.607 -10.111 -1.025 1.00 0.37 H new ATOM 0 HD2 HIS A 27 0.845 -9.712 1.234 1.00 0.55 H new ATOM 0 HE1 HIS A 27 1.173 -13.749 2.497 1.00 0.72 H new ATOM 0 HE2 HIS A 27 1.828 -11.345 3.012 1.00 0.68 H new ATOM 424 N LEU A 28 -2.827 -9.560 0.559 1.00 0.37 N ATOM 425 CA LEU A 28 -3.374 -8.841 1.704 1.00 0.45 C ATOM 426 C LEU A 28 -4.849 -9.172 1.903 1.00 0.49 C ATOM 427 O LEU A 28 -5.335 -9.234 3.033 1.00 0.51 O ATOM 428 CB LEU A 28 -3.194 -7.333 1.511 1.00 0.51 C ATOM 429 CG LEU A 28 -1.889 -6.751 2.068 1.00 0.56 C ATOM 430 CD1 LEU A 28 -1.979 -6.595 3.577 1.00 1.09 C ATOM 431 CD2 LEU A 28 -0.698 -7.623 1.691 1.00 0.99 C ATOM 0 H LEU A 28 -2.458 -8.958 -0.177 1.00 0.37 H new ATOM 0 HA LEU A 28 -2.832 -9.155 2.596 1.00 0.45 H new ATOM 0 HB2 LEU A 28 -3.245 -7.111 0.445 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -4.032 -6.821 1.984 1.00 0.51 H new ATOM 0 HG LEU A 28 -1.740 -5.766 1.625 1.00 0.56 H new ATOM 0 HD11 LEU A 28 -1.045 -6.181 3.956 1.00 1.09 H new ATOM 0 HD12 LEU A 28 -2.801 -5.923 3.825 1.00 1.09 H new ATOM 0 HD13 LEU A 28 -2.156 -7.569 4.034 1.00 1.09 H new ATOM 0 HD21 LEU A 28 0.215 -7.188 2.098 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -0.836 -8.624 2.099 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.619 -7.682 0.605 1.00 0.99 H new ATOM 443 N ASP A 29 -5.554 -9.383 0.798 1.00 0.60 N ATOM 444 CA ASP A 29 -6.974 -9.708 0.844 1.00 0.69 C ATOM 445 C ASP A 29 -7.202 -11.049 1.533 1.00 0.57 C ATOM 446 O ASP A 29 -8.195 -11.236 2.237 1.00 0.55 O ATOM 447 CB ASP A 29 -7.554 -9.742 -0.571 1.00 0.94 C ATOM 448 CG ASP A 29 -9.053 -9.968 -0.578 1.00 0.97 C ATOM 449 OD1 ASP A 29 -9.749 -9.362 0.265 1.00 1.20 O ATOM 450 OD2 ASP A 29 -9.531 -10.752 -1.425 1.00 1.12 O ATOM 0 H ASP A 29 -5.164 -9.335 -0.143 1.00 0.60 H new ATOM 0 HA ASP A 29 -7.482 -8.934 1.419 1.00 0.69 H new ATOM 0 HB2 ASP A 29 -7.329 -8.802 -1.075 1.00 0.94 H new ATOM 0 HB3 ASP A 29 -7.068 -10.534 -1.141 1.00 0.94 H new ATOM 455 N ALA A 30 -6.275 -11.979 1.327 1.00 0.56 N ATOM 456 CA ALA A 30 -6.372 -13.303 1.932 1.00 0.58 C ATOM 457 C ALA A 30 -6.187 -13.228 3.442 1.00 0.46 C ATOM 458 O ALA A 30 -6.805 -13.985 4.192 1.00 0.54 O ATOM 459 CB ALA A 30 -5.341 -14.239 1.319 1.00 0.68 C ATOM 0 H ALA A 30 -5.448 -11.840 0.746 1.00 0.56 H new ATOM 0 HA ALA A 30 -7.369 -13.696 1.732 1.00 0.58 H new ATOM 0 HB1 ALA A 30 -5.424 -15.224 1.779 1.00 0.68 H new ATOM 0 HB2 ALA A 30 -5.518 -14.324 0.247 1.00 0.68 H new ATOM 0 HB3 ALA A 30 -4.341 -13.841 1.491 1.00 0.68 H new ATOM 465 N LEU A 31 -5.332 -12.310 3.882 1.00 0.37 N ATOM 466 CA LEU A 31 -5.066 -12.132 5.304 1.00 0.40 C ATOM 467 C LEU A 31 -6.263 -11.497 6.002 1.00 0.40 C ATOM 468 O LEU A 31 -6.333 -11.467 7.230 1.00 0.45 O ATOM 469 CB LEU A 31 -3.823 -11.264 5.507 1.00 0.45 C ATOM 470 CG LEU A 31 -2.536 -12.035 5.803 1.00 0.64 C ATOM 471 CD1 LEU A 31 -1.877 -12.489 4.511 1.00 1.10 C ATOM 472 CD2 LEU A 31 -1.581 -11.177 6.619 1.00 1.16 C ATOM 0 H LEU A 31 -4.812 -11.678 3.273 1.00 0.37 H new ATOM 0 HA LEU A 31 -4.889 -13.114 5.743 1.00 0.40 H new ATOM 0 HB2 LEU A 31 -3.670 -10.661 4.612 1.00 0.45 H new ATOM 0 HB3 LEU A 31 -4.011 -10.573 6.328 1.00 0.45 H new ATOM 0 HG LEU A 31 -2.789 -12.920 6.387 1.00 0.64 H new ATOM 0 HD11 LEU A 31 -0.963 -13.036 4.742 1.00 1.10 H new ATOM 0 HD12 LEU A 31 -2.560 -13.138 3.963 1.00 1.10 H new ATOM 0 HD13 LEU A 31 -1.635 -11.619 3.901 1.00 1.10 H new ATOM 0 HD21 LEU A 31 -0.670 -11.739 6.822 1.00 1.16 H new ATOM 0 HD22 LEU A 31 -1.334 -10.275 6.059 1.00 1.16 H new ATOM 0 HD23 LEU A 31 -2.054 -10.901 7.561 1.00 1.16 H new ATOM 484 N ASP A 32 -7.205 -10.993 5.206 1.00 0.40 N ATOM 485 CA ASP A 32 -8.403 -10.356 5.742 1.00 0.46 C ATOM 486 C ASP A 32 -8.037 -9.234 6.711 1.00 0.46 C ATOM 487 O ASP A 32 -8.639 -9.097 7.776 1.00 0.57 O ATOM 488 CB ASP A 32 -9.283 -11.394 6.444 1.00 0.52 C ATOM 489 CG ASP A 32 -10.741 -10.982 6.493 1.00 1.20 C ATOM 490 OD1 ASP A 32 -11.205 -10.324 5.538 1.00 1.57 O ATOM 491 OD2 ASP A 32 -11.421 -11.319 7.485 1.00 2.03 O ATOM 0 H ASP A 32 -7.160 -11.014 4.187 1.00 0.40 H new ATOM 0 HA ASP A 32 -8.959 -9.921 4.912 1.00 0.46 H new ATOM 0 HB2 ASP A 32 -9.196 -12.349 5.926 1.00 0.52 H new ATOM 0 HB3 ASP A 32 -8.918 -11.548 7.460 1.00 0.52 H new ATOM 496 N VAL A 33 -7.046 -8.433 6.330 1.00 0.42 N ATOM 497 CA VAL A 33 -6.594 -7.323 7.161 1.00 0.43 C ATOM 498 C VAL A 33 -6.785 -5.987 6.451 1.00 0.42 C ATOM 499 O VAL A 33 -6.122 -5.000 6.776 1.00 0.52 O ATOM 500 CB VAL A 33 -5.110 -7.477 7.550 1.00 0.48 C ATOM 501 CG1 VAL A 33 -4.917 -8.685 8.452 1.00 0.54 C ATOM 502 CG2 VAL A 33 -4.238 -7.586 6.308 1.00 0.50 C ATOM 0 H VAL A 33 -6.540 -8.533 5.450 1.00 0.42 H new ATOM 0 HA VAL A 33 -7.203 -7.340 8.065 1.00 0.43 H new ATOM 0 HB VAL A 33 -4.806 -6.587 8.101 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -3.863 -8.777 8.716 1.00 0.54 H new ATOM 0 HG12 VAL A 33 -5.509 -8.560 9.359 1.00 0.54 H new ATOM 0 HG13 VAL A 33 -5.240 -9.585 7.929 1.00 0.54 H new ATOM 0 HG21 VAL A 33 -3.195 -7.694 6.604 1.00 0.50 H new ATOM 0 HG22 VAL A 33 -4.542 -8.456 5.725 1.00 0.50 H new ATOM 0 HG23 VAL A 33 -4.352 -6.686 5.703 1.00 0.50 H new ATOM 512 N TRP A 34 -7.694 -5.960 5.482 1.00 0.39 N ATOM 513 CA TRP A 34 -7.970 -4.743 4.728 1.00 0.38 C ATOM 514 C TRP A 34 -8.446 -3.628 5.652 1.00 0.33 C ATOM 515 O TRP A 34 -8.107 -2.460 5.459 1.00 0.34 O ATOM 516 CB TRP A 34 -9.015 -5.008 3.641 1.00 0.40 C ATOM 517 CG TRP A 34 -10.324 -5.507 4.172 1.00 0.39 C ATOM 518 CD1 TRP A 34 -10.598 -6.759 4.639 1.00 0.47 C ATOM 519 CD2 TRP A 34 -11.543 -4.761 4.285 1.00 0.37 C ATOM 520 NE1 TRP A 34 -11.911 -6.838 5.038 1.00 0.50 N ATOM 521 CE2 TRP A 34 -12.512 -5.624 4.829 1.00 0.44 C ATOM 522 CE3 TRP A 34 -11.908 -3.447 3.978 1.00 0.38 C ATOM 523 CZ2 TRP A 34 -13.820 -5.215 5.074 1.00 0.50 C ATOM 524 CZ3 TRP A 34 -13.206 -3.043 4.221 1.00 0.45 C ATOM 525 CH2 TRP A 34 -14.150 -3.924 4.764 1.00 0.50 C ATOM 0 H TRP A 34 -8.252 -6.766 5.201 1.00 0.39 H new ATOM 0 HA TRP A 34 -7.042 -4.425 4.252 1.00 0.38 H new ATOM 0 HB2 TRP A 34 -9.187 -4.088 3.083 1.00 0.40 H new ATOM 0 HB3 TRP A 34 -8.617 -5.738 2.937 1.00 0.40 H new ATOM 0 HD1 TRP A 34 -9.887 -7.570 4.688 1.00 0.47 H new ATOM 0 HE1 TRP A 34 -12.364 -7.665 5.426 1.00 0.50 H new ATOM 0 HE3 TRP A 34 -11.188 -2.760 3.558 1.00 0.38 H new ATOM 0 HZ2 TRP A 34 -14.548 -5.893 5.494 1.00 0.50 H new ATOM 0 HZ3 TRP A 34 -13.498 -2.030 3.988 1.00 0.45 H new ATOM 0 HH2 TRP A 34 -15.157 -3.578 4.941 1.00 0.50 H new ATOM 536 N GLN A 35 -9.234 -3.995 6.656 1.00 0.32 N ATOM 537 CA GLN A 35 -9.755 -3.027 7.614 1.00 0.33 C ATOM 538 C GLN A 35 -8.625 -2.388 8.415 1.00 0.32 C ATOM 539 O GLN A 35 -8.682 -1.206 8.751 1.00 0.35 O ATOM 540 CB GLN A 35 -10.750 -3.699 8.562 1.00 0.38 C ATOM 541 CG GLN A 35 -11.848 -2.768 9.047 1.00 1.12 C ATOM 542 CD GLN A 35 -11.935 -2.709 10.560 1.00 1.61 C ATOM 543 OE1 GLN A 35 -11.500 -1.741 11.182 1.00 2.15 O ATOM 544 NE2 GLN A 35 -12.500 -3.751 11.161 1.00 2.32 N ATOM 0 H GLN A 35 -9.526 -4.957 6.828 1.00 0.32 H new ATOM 0 HA GLN A 35 -10.268 -2.244 7.056 1.00 0.33 H new ATOM 0 HB2 GLN A 35 -11.204 -4.551 8.055 1.00 0.38 H new ATOM 0 HB3 GLN A 35 -10.210 -4.092 9.424 1.00 0.38 H new ATOM 0 HG2 GLN A 35 -11.668 -1.766 8.658 1.00 1.12 H new ATOM 0 HG3 GLN A 35 -12.805 -3.100 8.644 1.00 1.12 H new ATOM 0 HE21 GLN A 35 -12.847 -4.533 10.606 1.00 2.32 H new ATOM 0 HE22 GLN A 35 -12.586 -3.769 12.177 1.00 2.32 H new ATOM 553 N GLN A 36 -7.600 -3.180 8.716 1.00 0.33 N ATOM 554 CA GLN A 36 -6.456 -2.693 9.480 1.00 0.38 C ATOM 555 C GLN A 36 -5.595 -1.761 8.640 1.00 0.37 C ATOM 556 O GLN A 36 -4.674 -1.127 9.152 1.00 0.46 O ATOM 557 CB GLN A 36 -5.617 -3.866 9.991 1.00 0.45 C ATOM 558 CG GLN A 36 -6.092 -4.413 11.327 1.00 1.54 C ATOM 559 CD GLN A 36 -6.451 -5.885 11.261 1.00 2.38 C ATOM 560 OE1 GLN A 36 -7.186 -6.271 10.223 1.00 3.29 O flip ATOM 561 NE2 GLN A 36 -6.072 -6.667 12.133 1.00 2.41 N flip ATOM 0 H GLN A 36 -7.538 -4.161 8.443 1.00 0.33 H new ATOM 0 HA GLN A 36 -6.836 -2.131 10.333 1.00 0.38 H new ATOM 0 HB2 GLN A 36 -5.637 -4.667 9.251 1.00 0.45 H new ATOM 0 HB3 GLN A 36 -4.579 -3.546 10.086 1.00 0.45 H new ATOM 0 HG2 GLN A 36 -5.311 -4.266 12.073 1.00 1.54 H new ATOM 0 HG3 GLN A 36 -6.961 -3.845 11.659 1.00 1.54 H new ATOM 0 HE21 GLN A 36 -5.509 -6.327 12.913 1.00 2.41 H new ATOM 0 HE22 GLN A 36 -6.321 -7.655 12.076 1.00 2.41 H new ATOM 570 N LEU A 37 -5.893 -1.689 7.348 1.00 0.37 N ATOM 571 CA LEU A 37 -5.154 -0.818 6.444 1.00 0.40 C ATOM 572 C LEU A 37 -5.852 0.533 6.335 1.00 0.38 C ATOM 573 O LEU A 37 -5.263 1.574 6.627 1.00 0.42 O ATOM 574 CB LEU A 37 -5.022 -1.464 5.064 1.00 0.43 C ATOM 575 CG LEU A 37 -4.147 -2.718 5.019 1.00 0.46 C ATOM 576 CD1 LEU A 37 -4.602 -3.650 3.906 1.00 0.49 C ATOM 577 CD2 LEU A 37 -2.685 -2.341 4.834 1.00 0.65 C ATOM 0 H LEU A 37 -6.640 -2.223 6.904 1.00 0.37 H new ATOM 0 HA LEU A 37 -4.153 -0.665 6.846 1.00 0.40 H new ATOM 0 HB2 LEU A 37 -6.018 -1.721 4.703 1.00 0.43 H new ATOM 0 HB3 LEU A 37 -4.612 -0.728 4.372 1.00 0.43 H new ATOM 0 HG LEU A 37 -4.251 -3.243 5.969 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -3.967 -4.536 3.891 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.636 -3.948 4.081 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -4.530 -3.135 2.948 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.077 -3.245 4.804 1.00 0.65 H new ATOM 0 HD22 LEU A 37 -2.566 -1.793 3.899 1.00 0.65 H new ATOM 0 HD23 LEU A 37 -2.363 -1.714 5.666 1.00 0.65 H new ATOM 589 N ALA A 38 -7.109 0.505 5.902 1.00 0.36 N ATOM 590 CA ALA A 38 -7.904 1.721 5.770 1.00 0.37 C ATOM 591 C ALA A 38 -7.899 2.519 7.070 1.00 0.36 C ATOM 592 O ALA A 38 -7.551 3.701 7.087 1.00 0.41 O ATOM 593 CB ALA A 38 -9.330 1.379 5.364 1.00 0.39 C ATOM 0 H ALA A 38 -7.600 -0.349 5.636 1.00 0.36 H new ATOM 0 HA ALA A 38 -7.456 2.338 4.991 1.00 0.37 H new ATOM 0 HB1 ALA A 38 -9.911 2.296 5.269 1.00 0.39 H new ATOM 0 HB2 ALA A 38 -9.320 0.855 4.408 1.00 0.39 H new ATOM 0 HB3 ALA A 38 -9.781 0.740 6.123 1.00 0.39 H new ATOM 599 N THR A 39 -8.295 1.863 8.158 1.00 0.33 N ATOM 600 CA THR A 39 -8.340 2.500 9.469 1.00 0.36 C ATOM 601 C THR A 39 -6.957 2.973 9.909 1.00 0.37 C ATOM 602 O THR A 39 -6.829 3.987 10.596 1.00 0.40 O ATOM 603 CB THR A 39 -8.906 1.546 10.537 1.00 0.39 C ATOM 604 OG1 THR A 39 -10.107 0.930 10.057 1.00 0.36 O ATOM 605 CG2 THR A 39 -9.197 2.290 11.832 1.00 0.51 C ATOM 0 H THR A 39 -8.590 0.887 8.156 1.00 0.33 H new ATOM 0 HA THR A 39 -8.998 3.363 9.373 1.00 0.36 H new ATOM 0 HB THR A 39 -8.158 0.779 10.738 1.00 0.39 H new ATOM 0 HG1 THR A 39 -9.879 0.136 9.530 1.00 0.36 H new ATOM 0 HG21 THR A 39 -9.596 1.594 12.570 1.00 0.51 H new ATOM 0 HG22 THR A 39 -8.276 2.733 12.212 1.00 0.51 H new ATOM 0 HG23 THR A 39 -9.928 3.077 11.643 1.00 0.51 H new ATOM 613 N ALA A 40 -5.925 2.230 9.517 1.00 0.38 N ATOM 614 CA ALA A 40 -4.552 2.582 9.869 1.00 0.43 C ATOM 615 C ALA A 40 -4.211 4.002 9.427 1.00 0.42 C ATOM 616 O ALA A 40 -3.462 4.709 10.104 1.00 0.47 O ATOM 617 CB ALA A 40 -3.575 1.593 9.252 1.00 0.47 C ATOM 0 H ALA A 40 -6.013 1.382 8.957 1.00 0.38 H new ATOM 0 HA ALA A 40 -4.466 2.536 10.955 1.00 0.43 H new ATOM 0 HB1 ALA A 40 -2.556 1.870 9.524 1.00 0.47 H new ATOM 0 HB2 ALA A 40 -3.790 0.590 9.622 1.00 0.47 H new ATOM 0 HB3 ALA A 40 -3.678 1.609 8.167 1.00 0.47 H new ATOM 623 N VAL A 41 -4.764 4.416 8.290 1.00 0.38 N ATOM 624 CA VAL A 41 -4.519 5.754 7.764 1.00 0.40 C ATOM 625 C VAL A 41 -5.713 6.667 8.019 1.00 0.41 C ATOM 626 O VAL A 41 -5.737 7.814 7.573 1.00 0.47 O ATOM 627 CB VAL A 41 -4.220 5.723 6.252 1.00 0.42 C ATOM 628 CG1 VAL A 41 -2.814 5.202 5.992 1.00 0.50 C ATOM 629 CG2 VAL A 41 -5.252 4.881 5.516 1.00 0.45 C ATOM 0 H VAL A 41 -5.384 3.844 7.716 1.00 0.38 H new ATOM 0 HA VAL A 41 -3.646 6.145 8.286 1.00 0.40 H new ATOM 0 HB VAL A 41 -4.280 6.743 5.872 1.00 0.42 H new ATOM 0 HG11 VAL A 41 -2.624 5.188 4.919 1.00 0.50 H new ATOM 0 HG12 VAL A 41 -2.089 5.852 6.481 1.00 0.50 H new ATOM 0 HG13 VAL A 41 -2.721 4.191 6.390 1.00 0.50 H new ATOM 0 HG21 VAL A 41 -5.022 4.873 4.451 1.00 0.45 H new ATOM 0 HG22 VAL A 41 -5.230 3.861 5.900 1.00 0.45 H new ATOM 0 HG23 VAL A 41 -6.244 5.305 5.670 1.00 0.45 H new ATOM 639 N LYS A 42 -6.700 6.144 8.745 1.00 0.38 N ATOM 640 CA LYS A 42 -7.907 6.897 9.077 1.00 0.41 C ATOM 641 C LYS A 42 -8.664 7.314 7.820 1.00 0.43 C ATOM 642 O LYS A 42 -8.267 8.250 7.124 1.00 0.53 O ATOM 643 CB LYS A 42 -7.555 8.131 9.912 1.00 0.51 C ATOM 644 CG LYS A 42 -8.343 8.231 11.209 1.00 0.77 C ATOM 645 CD LYS A 42 -9.524 9.179 11.072 1.00 1.05 C ATOM 646 CE LYS A 42 -10.843 8.472 11.342 1.00 1.32 C ATOM 647 NZ LYS A 42 -11.369 8.775 12.702 1.00 2.14 N ATOM 0 H LYS A 42 -6.686 5.194 9.117 1.00 0.38 H new ATOM 0 HA LYS A 42 -8.555 6.244 9.662 1.00 0.41 H new ATOM 0 HB2 LYS A 42 -6.490 8.111 10.144 1.00 0.51 H new ATOM 0 HB3 LYS A 42 -7.735 9.026 9.317 1.00 0.51 H new ATOM 0 HG2 LYS A 42 -8.700 7.242 11.496 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -7.688 8.577 12.008 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -9.407 10.010 11.767 1.00 1.05 H new ATOM 0 HD3 LYS A 42 -9.537 9.603 10.068 1.00 1.05 H new ATOM 0 HE2 LYS A 42 -11.576 8.774 10.594 1.00 1.32 H new ATOM 0 HE3 LYS A 42 -10.706 7.396 11.238 1.00 1.32 H new ATOM 0 HZ1 LYS A 42 -12.269 8.274 12.846 1.00 2.14 H new ATOM 0 HZ2 LYS A 42 -10.681 8.464 13.417 1.00 2.14 H new ATOM 0 HZ3 LYS A 42 -11.525 9.799 12.794 1.00 2.14 H new ATOM 661 N LEU A 43 -9.759 6.616 7.538 1.00 0.41 N ATOM 662 CA LEU A 43 -10.577 6.912 6.367 1.00 0.49 C ATOM 663 C LEU A 43 -12.052 7.014 6.748 1.00 0.49 C ATOM 664 O LEU A 43 -12.455 6.581 7.827 1.00 0.52 O ATOM 665 CB LEU A 43 -10.388 5.835 5.297 1.00 0.56 C ATOM 666 CG LEU A 43 -9.332 6.151 4.236 1.00 0.63 C ATOM 667 CD1 LEU A 43 -9.004 4.907 3.424 1.00 0.78 C ATOM 668 CD2 LEU A 43 -9.809 7.275 3.327 1.00 1.03 C ATOM 0 H LEU A 43 -10.101 5.840 8.105 1.00 0.41 H new ATOM 0 HA LEU A 43 -10.255 7.872 5.964 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -10.118 4.900 5.788 1.00 0.56 H new ATOM 0 HB3 LEU A 43 -11.343 5.669 4.798 1.00 0.56 H new ATOM 0 HG LEU A 43 -8.424 6.481 4.740 1.00 0.63 H new ATOM 0 HD11 LEU A 43 -8.251 5.150 2.674 1.00 0.78 H new ATOM 0 HD12 LEU A 43 -8.619 4.131 4.086 1.00 0.78 H new ATOM 0 HD13 LEU A 43 -9.906 4.547 2.929 1.00 0.78 H new ATOM 0 HD21 LEU A 43 -9.045 7.486 2.578 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -10.731 6.974 2.830 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -9.993 8.170 3.921 1.00 1.03 H new ATOM 680 N TYR A 44 -12.851 7.586 5.852 1.00 0.50 N ATOM 681 CA TYR A 44 -14.281 7.743 6.092 1.00 0.53 C ATOM 682 C TYR A 44 -14.983 6.386 6.077 1.00 0.48 C ATOM 683 O TYR A 44 -14.471 5.426 5.502 1.00 0.48 O ATOM 684 CB TYR A 44 -14.897 8.661 5.031 1.00 0.60 C ATOM 685 CG TYR A 44 -14.070 9.894 4.739 1.00 0.74 C ATOM 686 CD1 TYR A 44 -14.006 10.942 5.647 1.00 0.94 C ATOM 687 CD2 TYR A 44 -13.355 10.008 3.554 1.00 0.91 C ATOM 688 CE1 TYR A 44 -13.252 12.069 5.385 1.00 1.14 C ATOM 689 CE2 TYR A 44 -12.598 11.132 3.284 1.00 1.10 C ATOM 690 CZ TYR A 44 -12.554 12.161 4.200 1.00 1.16 C ATOM 691 OH TYR A 44 -11.797 13.279 3.937 1.00 1.41 O ATOM 0 H TYR A 44 -12.532 7.948 4.953 1.00 0.50 H new ATOM 0 HA TYR A 44 -14.416 8.193 7.076 1.00 0.53 H new ATOM 0 HB2 TYR A 44 -15.030 8.097 4.108 1.00 0.60 H new ATOM 0 HB3 TYR A 44 -15.889 8.969 5.362 1.00 0.60 H new ATOM 0 HD1 TYR A 44 -14.555 10.875 6.574 1.00 0.94 H new ATOM 0 HD2 TYR A 44 -13.391 9.206 2.832 1.00 0.91 H new ATOM 0 HE1 TYR A 44 -13.210 12.873 6.104 1.00 1.14 H new ATOM 0 HE2 TYR A 44 -12.044 11.204 2.360 1.00 1.10 H new ATOM 0 HH TYR A 44 -11.368 13.185 3.061 1.00 1.41 H new ATOM 701 N PRO A 45 -16.170 6.286 6.708 1.00 0.62 N ATOM 702 CA PRO A 45 -16.933 5.034 6.756 1.00 0.65 C ATOM 703 C PRO A 45 -17.563 4.705 5.412 1.00 0.65 C ATOM 704 O PRO A 45 -17.738 3.539 5.063 1.00 0.70 O ATOM 705 CB PRO A 45 -18.017 5.329 7.789 1.00 0.86 C ATOM 706 CG PRO A 45 -18.237 6.792 7.660 1.00 1.32 C ATOM 707 CD PRO A 45 -16.874 7.377 7.413 1.00 0.87 C ATOM 0 HA PRO A 45 -16.308 4.176 7.004 1.00 0.65 H new ATOM 0 HB2 PRO A 45 -18.929 4.767 7.585 1.00 0.86 H new ATOM 0 HB3 PRO A 45 -17.695 5.060 8.795 1.00 0.86 H new ATOM 0 HG2 PRO A 45 -18.917 7.017 6.838 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -18.684 7.204 8.565 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -16.926 8.282 6.807 1.00 0.87 H new ATOM 0 HD3 PRO A 45 -16.374 7.645 8.344 1.00 0.87 H new ATOM 715 N ASP A 46 -17.909 5.748 4.662 1.00 0.67 N ATOM 716 CA ASP A 46 -18.517 5.579 3.350 1.00 0.74 C ATOM 717 C ASP A 46 -17.547 4.886 2.402 1.00 0.69 C ATOM 718 O ASP A 46 -17.961 4.198 1.469 1.00 0.76 O ATOM 719 CB ASP A 46 -18.934 6.935 2.778 1.00 0.89 C ATOM 720 CG ASP A 46 -19.816 7.718 3.732 1.00 1.26 C ATOM 721 OD1 ASP A 46 -21.044 7.498 3.722 1.00 1.77 O ATOM 722 OD2 ASP A 46 -19.275 8.551 4.490 1.00 2.01 O ATOM 0 H ASP A 46 -17.777 6.720 4.943 1.00 0.67 H new ATOM 0 HA ASP A 46 -19.405 4.957 3.458 1.00 0.74 H new ATOM 0 HB2 ASP A 46 -18.043 7.519 2.549 1.00 0.89 H new ATOM 0 HB3 ASP A 46 -19.465 6.782 1.839 1.00 0.89 H new ATOM 727 N GLN A 47 -16.254 5.075 2.650 1.00 0.63 N ATOM 728 CA GLN A 47 -15.218 4.464 1.826 1.00 0.68 C ATOM 729 C GLN A 47 -15.039 2.995 2.193 1.00 0.61 C ATOM 730 O GLN A 47 -14.924 2.135 1.319 1.00 0.65 O ATOM 731 CB GLN A 47 -13.894 5.211 1.993 1.00 0.75 C ATOM 732 CG GLN A 47 -13.960 6.668 1.565 1.00 0.78 C ATOM 733 CD GLN A 47 -13.512 6.877 0.132 1.00 1.21 C ATOM 734 OE1 GLN A 47 -13.906 6.134 -0.769 1.00 1.94 O ATOM 735 NE2 GLN A 47 -12.683 7.890 -0.089 1.00 1.56 N ATOM 0 H GLN A 47 -15.899 5.647 3.416 1.00 0.63 H new ATOM 0 HA GLN A 47 -15.529 4.528 0.783 1.00 0.68 H new ATOM 0 HB2 GLN A 47 -13.588 5.161 3.038 1.00 0.75 H new ATOM 0 HB3 GLN A 47 -13.124 4.704 1.411 1.00 0.75 H new ATOM 0 HG2 GLN A 47 -14.982 7.030 1.678 1.00 0.78 H new ATOM 0 HG3 GLN A 47 -13.335 7.266 2.228 1.00 0.78 H new ATOM 0 HE21 GLN A 47 -12.382 8.481 0.686 1.00 1.56 H new ATOM 0 HE22 GLN A 47 -12.347 8.078 -1.034 1.00 1.56 H new ATOM 744 N VAL A 48 -15.014 2.714 3.494 1.00 0.57 N ATOM 745 CA VAL A 48 -14.858 1.346 3.976 1.00 0.57 C ATOM 746 C VAL A 48 -16.047 0.493 3.552 1.00 0.55 C ATOM 747 O VAL A 48 -15.880 -0.598 3.006 1.00 0.51 O ATOM 748 CB VAL A 48 -14.723 1.296 5.511 1.00 0.61 C ATOM 749 CG1 VAL A 48 -14.312 -0.096 5.966 1.00 0.88 C ATOM 750 CG2 VAL A 48 -13.725 2.337 5.995 1.00 0.75 C ATOM 0 H VAL A 48 -15.100 3.414 4.231 1.00 0.57 H new ATOM 0 HA VAL A 48 -13.943 0.951 3.534 1.00 0.57 H new ATOM 0 HB VAL A 48 -15.694 1.526 5.949 1.00 0.61 H new ATOM 0 HG11 VAL A 48 -14.222 -0.112 7.052 1.00 0.88 H new ATOM 0 HG12 VAL A 48 -15.066 -0.818 5.654 1.00 0.88 H new ATOM 0 HG13 VAL A 48 -13.353 -0.357 5.518 1.00 0.88 H new ATOM 0 HG21 VAL A 48 -13.644 2.286 7.081 1.00 0.75 H new ATOM 0 HG22 VAL A 48 -12.750 2.142 5.549 1.00 0.75 H new ATOM 0 HG23 VAL A 48 -14.065 3.331 5.703 1.00 0.75 H new ATOM 760 N GLU A 49 -17.250 1.000 3.810 1.00 0.60 N ATOM 761 CA GLU A 49 -18.473 0.296 3.448 1.00 0.63 C ATOM 762 C GLU A 49 -18.535 0.084 1.940 1.00 0.57 C ATOM 763 O GLU A 49 -19.056 -0.925 1.464 1.00 0.57 O ATOM 764 CB GLU A 49 -19.700 1.081 3.918 1.00 0.73 C ATOM 765 CG GLU A 49 -21.011 0.338 3.721 1.00 0.87 C ATOM 766 CD GLU A 49 -21.583 -0.187 5.023 1.00 1.55 C ATOM 767 OE1 GLU A 49 -22.085 0.629 5.824 1.00 1.73 O ATOM 768 OE2 GLU A 49 -21.529 -1.416 5.242 1.00 2.44 O ATOM 0 H GLU A 49 -17.402 1.898 4.269 1.00 0.60 H new ATOM 0 HA GLU A 49 -18.470 -0.676 3.940 1.00 0.63 H new ATOM 0 HB2 GLU A 49 -19.584 1.322 4.975 1.00 0.73 H new ATOM 0 HB3 GLU A 49 -19.744 2.027 3.379 1.00 0.73 H new ATOM 0 HG2 GLU A 49 -21.735 1.004 3.252 1.00 0.87 H new ATOM 0 HG3 GLU A 49 -20.853 -0.495 3.035 1.00 0.87 H new ATOM 775 N GLN A 50 -17.998 1.047 1.195 1.00 0.56 N ATOM 776 CA GLN A 50 -17.979 0.968 -0.263 1.00 0.55 C ATOM 777 C GLN A 50 -17.254 -0.291 -0.726 1.00 0.48 C ATOM 778 O GLN A 50 -17.703 -0.975 -1.645 1.00 0.56 O ATOM 779 CB GLN A 50 -17.299 2.204 -0.855 1.00 0.59 C ATOM 780 CG GLN A 50 -18.030 2.784 -2.053 1.00 0.91 C ATOM 781 CD GLN A 50 -17.453 2.311 -3.373 1.00 1.33 C ATOM 782 OE1 GLN A 50 -18.169 1.782 -4.224 1.00 2.12 O ATOM 783 NE2 GLN A 50 -16.151 2.499 -3.550 1.00 1.46 N ATOM 0 H GLN A 50 -17.570 1.891 1.577 1.00 0.56 H new ATOM 0 HA GLN A 50 -19.010 0.927 -0.613 1.00 0.55 H new ATOM 0 HB2 GLN A 50 -17.219 2.969 -0.083 1.00 0.59 H new ATOM 0 HB3 GLN A 50 -16.283 1.943 -1.151 1.00 0.59 H new ATOM 0 HG2 GLN A 50 -19.083 2.507 -2.001 1.00 0.91 H new ATOM 0 HG3 GLN A 50 -17.984 3.872 -2.010 1.00 0.91 H new ATOM 0 HE21 GLN A 50 -15.595 2.942 -2.818 1.00 1.46 H new ATOM 0 HE22 GLN A 50 -15.706 2.201 -4.418 1.00 1.46 H new ATOM 792 N ILE A 51 -16.128 -0.587 -0.084 1.00 0.40 N ATOM 793 CA ILE A 51 -15.339 -1.764 -0.427 1.00 0.38 C ATOM 794 C ILE A 51 -16.077 -3.043 -0.045 1.00 0.41 C ATOM 795 O ILE A 51 -16.103 -4.008 -0.809 1.00 0.47 O ATOM 796 CB ILE A 51 -13.967 -1.745 0.277 1.00 0.35 C ATOM 797 CG1 ILE A 51 -13.279 -0.395 0.066 1.00 0.39 C ATOM 798 CG2 ILE A 51 -13.091 -2.879 -0.236 1.00 0.38 C ATOM 799 CD1 ILE A 51 -12.436 0.044 1.243 1.00 0.42 C ATOM 0 H ILE A 51 -15.742 -0.028 0.677 1.00 0.40 H new ATOM 0 HA ILE A 51 -15.184 -1.742 -1.506 1.00 0.38 H new ATOM 0 HB ILE A 51 -14.123 -1.889 1.346 1.00 0.35 H new ATOM 0 HG12 ILE A 51 -12.648 -0.453 -0.821 1.00 0.39 H new ATOM 0 HG13 ILE A 51 -14.037 0.363 -0.131 1.00 0.39 H new ATOM 0 HG21 ILE A 51 -12.126 -2.851 0.271 1.00 0.38 H new ATOM 0 HG22 ILE A 51 -13.578 -3.834 -0.037 1.00 0.38 H new ATOM 0 HG23 ILE A 51 -12.940 -2.765 -1.309 1.00 0.38 H new ATOM 0 HD11 ILE A 51 -11.979 1.009 1.023 1.00 0.42 H new ATOM 0 HD12 ILE A 51 -13.066 0.134 2.128 1.00 0.42 H new ATOM 0 HD13 ILE A 51 -11.655 -0.694 1.427 1.00 0.42 H new ATOM 811 N SER A 52 -16.672 -3.040 1.145 1.00 0.43 N ATOM 812 CA SER A 52 -17.415 -4.196 1.639 1.00 0.50 C ATOM 813 C SER A 52 -18.497 -4.623 0.651 1.00 0.52 C ATOM 814 O SER A 52 -18.906 -5.783 0.629 1.00 0.59 O ATOM 815 CB SER A 52 -18.044 -3.877 2.997 1.00 0.57 C ATOM 816 OG SER A 52 -18.755 -4.993 3.503 1.00 1.42 O ATOM 0 H SER A 52 -16.654 -2.247 1.787 1.00 0.43 H new ATOM 0 HA SER A 52 -16.714 -5.023 1.752 1.00 0.50 H new ATOM 0 HB2 SER A 52 -17.266 -3.587 3.703 1.00 0.57 H new ATOM 0 HB3 SER A 52 -18.718 -3.026 2.898 1.00 0.57 H new ATOM 0 HG SER A 52 -19.147 -4.765 4.372 1.00 1.42 H new ATOM 822 N SER A 53 -18.959 -3.677 -0.164 1.00 0.54 N ATOM 823 CA SER A 53 -19.997 -3.956 -1.154 1.00 0.60 C ATOM 824 C SER A 53 -19.563 -5.072 -2.100 1.00 0.63 C ATOM 825 O SER A 53 -20.117 -6.171 -2.074 1.00 0.70 O ATOM 826 CB SER A 53 -20.323 -2.692 -1.951 1.00 0.68 C ATOM 827 OG SER A 53 -21.326 -2.945 -2.921 1.00 0.93 O ATOM 0 H SER A 53 -18.631 -2.711 -0.158 1.00 0.54 H new ATOM 0 HA SER A 53 -20.891 -4.283 -0.624 1.00 0.60 H new ATOM 0 HB2 SER A 53 -20.658 -1.907 -1.273 1.00 0.68 H new ATOM 0 HB3 SER A 53 -19.422 -2.325 -2.442 1.00 0.68 H new ATOM 0 HG SER A 53 -21.518 -2.121 -3.416 1.00 0.93 H new ATOM 833 N GLN A 54 -18.575 -4.780 -2.941 1.00 0.67 N ATOM 834 CA GLN A 54 -18.065 -5.762 -3.891 1.00 0.80 C ATOM 835 C GLN A 54 -17.446 -6.952 -3.164 1.00 0.81 C ATOM 836 O GLN A 54 -17.603 -8.099 -3.583 1.00 0.97 O ATOM 837 CB GLN A 54 -17.031 -5.119 -4.818 1.00 0.94 C ATOM 838 CG GLN A 54 -15.937 -4.364 -4.080 1.00 1.35 C ATOM 839 CD GLN A 54 -15.534 -3.085 -4.786 1.00 1.75 C ATOM 840 OE1 GLN A 54 -15.913 -1.989 -4.374 1.00 2.48 O ATOM 841 NE2 GLN A 54 -14.760 -3.219 -5.858 1.00 2.07 N ATOM 0 H GLN A 54 -18.112 -3.872 -2.984 1.00 0.67 H new ATOM 0 HA GLN A 54 -18.903 -6.121 -4.489 1.00 0.80 H new ATOM 0 HB2 GLN A 54 -16.574 -5.895 -5.432 1.00 0.94 H new ATOM 0 HB3 GLN A 54 -17.540 -4.434 -5.496 1.00 0.94 H new ATOM 0 HG2 GLN A 54 -16.280 -4.126 -3.073 1.00 1.35 H new ATOM 0 HG3 GLN A 54 -15.064 -5.008 -3.975 1.00 1.35 H new ATOM 0 HE21 GLN A 54 -14.469 -4.147 -6.164 1.00 2.07 H new ATOM 0 HE22 GLN A 54 -14.457 -2.393 -6.374 1.00 2.07 H new ATOM 850 N LYS A 55 -16.743 -6.667 -2.072 1.00 0.68 N ATOM 851 CA LYS A 55 -16.092 -7.706 -1.280 1.00 0.73 C ATOM 852 C LYS A 55 -17.111 -8.707 -0.742 1.00 0.86 C ATOM 853 O LYS A 55 -16.767 -9.847 -0.427 1.00 1.12 O ATOM 854 CB LYS A 55 -15.319 -7.072 -0.121 1.00 0.65 C ATOM 855 CG LYS A 55 -14.455 -8.056 0.647 1.00 0.74 C ATOM 856 CD LYS A 55 -14.802 -8.063 2.127 1.00 0.76 C ATOM 857 CE LYS A 55 -15.388 -9.398 2.557 1.00 1.36 C ATOM 858 NZ LYS A 55 -15.900 -9.355 3.954 1.00 1.77 N ATOM 0 H LYS A 55 -16.609 -5.721 -1.714 1.00 0.68 H new ATOM 0 HA LYS A 55 -15.398 -8.242 -1.927 1.00 0.73 H new ATOM 0 HB2 LYS A 55 -14.687 -6.274 -0.511 1.00 0.65 H new ATOM 0 HB3 LYS A 55 -16.027 -6.610 0.567 1.00 0.65 H new ATOM 0 HG2 LYS A 55 -14.588 -9.057 0.236 1.00 0.74 H new ATOM 0 HG3 LYS A 55 -13.404 -7.796 0.520 1.00 0.74 H new ATOM 0 HD2 LYS A 55 -13.907 -7.852 2.712 1.00 0.76 H new ATOM 0 HD3 LYS A 55 -15.516 -7.267 2.338 1.00 0.76 H new ATOM 0 HE2 LYS A 55 -16.198 -9.673 1.882 1.00 1.36 H new ATOM 0 HE3 LYS A 55 -14.626 -10.173 2.473 1.00 1.36 H new ATOM 0 HZ1 LYS A 55 -16.291 -10.284 4.209 1.00 1.77 H new ATOM 0 HZ2 LYS A 55 -15.122 -9.117 4.602 1.00 1.77 H new ATOM 0 HZ3 LYS A 55 -16.645 -8.633 4.029 1.00 1.77 H new ATOM 872 N GLN A 56 -18.363 -8.276 -0.640 1.00 0.79 N ATOM 873 CA GLN A 56 -19.433 -9.131 -0.137 1.00 0.97 C ATOM 874 C GLN A 56 -19.645 -10.351 -1.031 1.00 1.12 C ATOM 875 O GLN A 56 -20.424 -11.244 -0.696 1.00 1.37 O ATOM 876 CB GLN A 56 -20.737 -8.339 -0.023 1.00 0.96 C ATOM 877 CG GLN A 56 -21.497 -8.598 1.268 1.00 1.58 C ATOM 878 CD GLN A 56 -21.028 -7.714 2.407 1.00 2.14 C ATOM 879 OE1 GLN A 56 -21.668 -6.717 2.739 1.00 2.41 O ATOM 880 NE2 GLN A 56 -19.903 -8.077 3.014 1.00 3.02 N ATOM 0 H GLN A 56 -18.663 -7.336 -0.900 1.00 0.79 H new ATOM 0 HA GLN A 56 -19.135 -9.483 0.851 1.00 0.97 H new ATOM 0 HB2 GLN A 56 -20.513 -7.275 -0.095 1.00 0.96 H new ATOM 0 HB3 GLN A 56 -21.378 -8.588 -0.868 1.00 0.96 H new ATOM 0 HG2 GLN A 56 -22.561 -8.432 1.099 1.00 1.58 H new ATOM 0 HG3 GLN A 56 -21.378 -9.644 1.552 1.00 1.58 H new ATOM 0 HE21 GLN A 56 -19.404 -8.912 2.706 1.00 3.02 H new ATOM 0 HE22 GLN A 56 -19.539 -7.521 3.788 1.00 3.02 H new ATOM 889 N ARG A 57 -18.953 -10.389 -2.168 1.00 1.15 N ATOM 890 CA ARG A 57 -19.086 -11.507 -3.099 1.00 1.46 C ATOM 891 C ARG A 57 -17.783 -11.772 -3.848 1.00 1.58 C ATOM 892 O ARG A 57 -17.665 -11.470 -5.036 1.00 1.74 O ATOM 893 CB ARG A 57 -20.216 -11.236 -4.097 1.00 1.66 C ATOM 894 CG ARG A 57 -20.360 -9.772 -4.481 1.00 1.38 C ATOM 895 CD ARG A 57 -20.269 -9.578 -5.986 1.00 1.67 C ATOM 896 NE ARG A 57 -20.901 -8.335 -6.416 1.00 1.89 N ATOM 897 CZ ARG A 57 -22.185 -8.238 -6.749 1.00 2.38 C ATOM 898 NH1 ARG A 57 -22.964 -9.311 -6.710 1.00 2.83 N ATOM 899 NH2 ARG A 57 -22.691 -7.070 -7.122 1.00 2.99 N ATOM 0 H ARG A 57 -18.299 -9.664 -2.465 1.00 1.15 H new ATOM 0 HA ARG A 57 -19.326 -12.396 -2.515 1.00 1.46 H new ATOM 0 HB2 ARG A 57 -20.040 -11.822 -4.999 1.00 1.66 H new ATOM 0 HB3 ARG A 57 -21.156 -11.584 -3.669 1.00 1.66 H new ATOM 0 HG2 ARG A 57 -21.317 -9.393 -4.122 1.00 1.38 H new ATOM 0 HG3 ARG A 57 -19.581 -9.188 -3.990 1.00 1.38 H new ATOM 0 HD2 ARG A 57 -19.222 -9.576 -6.289 1.00 1.67 H new ATOM 0 HD3 ARG A 57 -20.745 -10.420 -6.489 1.00 1.67 H new ATOM 0 HE ARG A 57 -20.326 -7.494 -6.464 1.00 1.89 H new ATOM 0 HH11 ARG A 57 -22.578 -10.211 -6.424 1.00 2.83 H new ATOM 0 HH12 ARG A 57 -23.949 -9.236 -6.965 1.00 2.83 H new ATOM 0 HH21 ARG A 57 -22.095 -6.243 -7.154 1.00 2.99 H new ATOM 0 HH22 ARG A 57 -23.676 -6.999 -7.377 1.00 2.99 H new ATOM 913 N GLY A 58 -16.810 -12.345 -3.142 1.00 1.74 N ATOM 914 CA GLY A 58 -15.525 -12.664 -3.745 1.00 2.05 C ATOM 915 C GLY A 58 -14.935 -11.516 -4.545 1.00 1.56 C ATOM 916 O GLY A 58 -15.065 -11.476 -5.768 1.00 1.61 O ATOM 0 H GLY A 58 -16.890 -12.596 -2.156 1.00 1.74 H new ATOM 0 HA2 GLY A 58 -14.824 -12.949 -2.960 1.00 2.05 H new ATOM 0 HA3 GLY A 58 -15.642 -13.529 -4.397 1.00 2.05 H new ATOM 920 N ARG A 59 -14.280 -10.589 -3.855 1.00 1.40 N ATOM 921 CA ARG A 59 -13.661 -9.440 -4.511 1.00 1.48 C ATOM 922 C ARG A 59 -12.440 -8.962 -3.729 1.00 1.02 C ATOM 923 O ARG A 59 -12.451 -8.932 -2.499 1.00 1.47 O ATOM 924 CB ARG A 59 -14.668 -8.296 -4.654 1.00 2.32 C ATOM 925 CG ARG A 59 -15.564 -8.420 -5.878 1.00 3.01 C ATOM 926 CD ARG A 59 -14.812 -8.095 -7.159 1.00 3.79 C ATOM 927 NE ARG A 59 -15.154 -6.772 -7.674 1.00 4.29 N ATOM 928 CZ ARG A 59 -15.370 -6.514 -8.961 1.00 4.87 C ATOM 929 NH1 ARG A 59 -15.286 -7.485 -9.861 1.00 5.10 N ATOM 930 NH2 ARG A 59 -15.675 -5.282 -9.348 1.00 5.55 N ATOM 0 H ARG A 59 -14.163 -10.609 -2.842 1.00 1.40 H new ATOM 0 HA ARG A 59 -13.339 -9.753 -5.504 1.00 1.48 H new ATOM 0 HB2 ARG A 59 -15.291 -8.258 -3.761 1.00 2.32 H new ATOM 0 HB3 ARG A 59 -14.127 -7.351 -4.705 1.00 2.32 H new ATOM 0 HG2 ARG A 59 -15.962 -9.433 -5.937 1.00 3.01 H new ATOM 0 HG3 ARG A 59 -16.416 -7.748 -5.775 1.00 3.01 H new ATOM 0 HD2 ARG A 59 -13.739 -8.145 -6.972 1.00 3.79 H new ATOM 0 HD3 ARG A 59 -15.040 -8.848 -7.914 1.00 3.79 H new ATOM 0 HE ARG A 59 -15.232 -6.002 -7.009 1.00 4.29 H new ATOM 0 HH11 ARG A 59 -15.055 -8.434 -9.567 1.00 5.10 H new ATOM 0 HH12 ARG A 59 -15.452 -7.283 -10.847 1.00 5.10 H new ATOM 0 HH21 ARG A 59 -15.744 -4.533 -8.659 1.00 5.55 H new ATOM 0 HH22 ARG A 59 -15.841 -5.084 -10.335 1.00 5.55 H new ATOM 944 N SER A 60 -11.388 -8.591 -4.454 1.00 0.87 N ATOM 945 CA SER A 60 -10.157 -8.118 -3.829 1.00 0.54 C ATOM 946 C SER A 60 -10.364 -6.752 -3.181 1.00 0.42 C ATOM 947 O SER A 60 -10.349 -5.724 -3.858 1.00 0.40 O ATOM 948 CB SER A 60 -9.030 -8.044 -4.862 1.00 0.77 C ATOM 949 OG SER A 60 -9.520 -7.623 -6.124 1.00 1.51 O ATOM 0 H SER A 60 -11.364 -8.609 -5.474 1.00 0.87 H new ATOM 0 HA SER A 60 -9.878 -8.828 -3.051 1.00 0.54 H new ATOM 0 HB2 SER A 60 -8.262 -7.352 -4.517 1.00 0.77 H new ATOM 0 HB3 SER A 60 -8.558 -9.021 -4.960 1.00 0.77 H new ATOM 0 HG SER A 60 -8.780 -7.582 -6.765 1.00 1.51 H new ATOM 955 N ALA A 61 -10.557 -6.752 -1.866 1.00 0.38 N ATOM 956 CA ALA A 61 -10.769 -5.516 -1.120 1.00 0.33 C ATOM 957 C ALA A 61 -9.562 -4.589 -1.229 1.00 0.29 C ATOM 958 O ALA A 61 -9.710 -3.369 -1.290 1.00 0.27 O ATOM 959 CB ALA A 61 -11.067 -5.827 0.339 1.00 0.39 C ATOM 0 H ALA A 61 -10.571 -7.596 -1.294 1.00 0.38 H new ATOM 0 HA ALA A 61 -11.626 -5.002 -1.556 1.00 0.33 H new ATOM 0 HB1 ALA A 61 -11.223 -4.897 0.885 1.00 0.39 H new ATOM 0 HB2 ALA A 61 -11.965 -6.441 0.404 1.00 0.39 H new ATOM 0 HB3 ALA A 61 -10.226 -6.367 0.775 1.00 0.39 H new ATOM 965 N SER A 62 -8.368 -5.176 -1.249 1.00 0.33 N ATOM 966 CA SER A 62 -7.134 -4.404 -1.348 1.00 0.34 C ATOM 967 C SER A 62 -7.050 -3.676 -2.684 1.00 0.31 C ATOM 968 O SER A 62 -6.539 -2.559 -2.760 1.00 0.31 O ATOM 969 CB SER A 62 -5.921 -5.318 -1.175 1.00 0.42 C ATOM 970 OG SER A 62 -5.529 -5.396 0.184 1.00 0.66 O ATOM 0 H SER A 62 -8.230 -6.185 -1.198 1.00 0.33 H new ATOM 0 HA SER A 62 -7.137 -3.660 -0.551 1.00 0.34 H new ATOM 0 HB2 SER A 62 -6.158 -6.315 -1.546 1.00 0.42 H new ATOM 0 HB3 SER A 62 -5.091 -4.943 -1.775 1.00 0.42 H new ATOM 0 HG SER A 62 -4.566 -5.230 0.257 1.00 0.66 H new ATOM 976 N ASN A 63 -7.549 -4.317 -3.737 1.00 0.32 N ATOM 977 CA ASN A 63 -7.529 -3.725 -5.068 1.00 0.32 C ATOM 978 C ASN A 63 -8.324 -2.422 -5.086 1.00 0.31 C ATOM 979 O ASN A 63 -7.823 -1.385 -5.524 1.00 0.33 O ATOM 980 CB ASN A 63 -8.082 -4.719 -6.100 1.00 0.35 C ATOM 981 CG ASN A 63 -9.171 -4.125 -6.975 1.00 0.92 C ATOM 982 OD1 ASN A 63 -8.918 -3.234 -7.785 1.00 1.40 O ATOM 983 ND2 ASN A 63 -10.393 -4.622 -6.817 1.00 1.79 N ATOM 0 H ASN A 63 -7.971 -5.245 -3.693 1.00 0.32 H new ATOM 0 HA ASN A 63 -6.497 -3.494 -5.333 1.00 0.32 H new ATOM 0 HB2 ASN A 63 -7.266 -5.068 -6.733 1.00 0.35 H new ATOM 0 HB3 ASN A 63 -8.478 -5.591 -5.580 1.00 0.35 H new ATOM 0 HD21 ASN A 63 -11.165 -4.265 -7.379 1.00 1.79 H new ATOM 0 HD22 ASN A 63 -10.559 -5.361 -6.133 1.00 1.79 H new ATOM 990 N GLU A 64 -9.563 -2.479 -4.607 1.00 0.31 N ATOM 991 CA GLU A 64 -10.415 -1.297 -4.558 1.00 0.33 C ATOM 992 C GLU A 64 -9.857 -0.281 -3.569 1.00 0.31 C ATOM 993 O GLU A 64 -9.954 0.928 -3.781 1.00 0.34 O ATOM 994 CB GLU A 64 -11.843 -1.683 -4.165 1.00 0.37 C ATOM 995 CG GLU A 64 -12.815 -0.512 -4.163 1.00 0.87 C ATOM 996 CD GLU A 64 -13.268 -0.123 -5.558 1.00 1.10 C ATOM 997 OE1 GLU A 64 -12.773 -0.725 -6.534 1.00 1.66 O ATOM 998 OE2 GLU A 64 -14.119 0.784 -5.674 1.00 1.72 O ATOM 0 H GLU A 64 -9.998 -3.329 -4.248 1.00 0.31 H new ATOM 0 HA GLU A 64 -10.435 -0.846 -5.550 1.00 0.33 H new ATOM 0 HB2 GLU A 64 -12.207 -2.445 -4.855 1.00 0.37 H new ATOM 0 HB3 GLU A 64 -11.828 -2.133 -3.172 1.00 0.37 H new ATOM 0 HG2 GLU A 64 -13.687 -0.770 -3.561 1.00 0.87 H new ATOM 0 HG3 GLU A 64 -12.342 0.347 -3.687 1.00 0.87 H new ATOM 1005 N PHE A 65 -9.274 -0.784 -2.485 1.00 0.29 N ATOM 1006 CA PHE A 65 -8.693 0.068 -1.454 1.00 0.29 C ATOM 1007 C PHE A 65 -7.619 0.979 -2.042 1.00 0.30 C ATOM 1008 O PHE A 65 -7.631 2.190 -1.820 1.00 0.33 O ATOM 1009 CB PHE A 65 -8.097 -0.788 -0.331 1.00 0.30 C ATOM 1010 CG PHE A 65 -7.301 -0.005 0.677 1.00 0.31 C ATOM 1011 CD1 PHE A 65 -7.877 1.048 1.372 1.00 0.41 C ATOM 1012 CD2 PHE A 65 -5.976 -0.324 0.930 1.00 0.35 C ATOM 1013 CE1 PHE A 65 -7.146 1.766 2.299 1.00 0.50 C ATOM 1014 CE2 PHE A 65 -5.241 0.391 1.855 1.00 0.42 C ATOM 1015 CZ PHE A 65 -5.826 1.436 2.542 1.00 0.48 C ATOM 0 H PHE A 65 -9.192 -1.783 -2.298 1.00 0.29 H new ATOM 0 HA PHE A 65 -9.487 0.692 -1.043 1.00 0.29 H new ATOM 0 HB2 PHE A 65 -8.905 -1.308 0.184 1.00 0.30 H new ATOM 0 HB3 PHE A 65 -7.456 -1.552 -0.771 1.00 0.30 H new ATOM 0 HD1 PHE A 65 -8.908 1.310 1.187 1.00 0.41 H new ATOM 0 HD2 PHE A 65 -5.513 -1.141 0.397 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -7.606 2.584 2.833 1.00 0.50 H new ATOM 0 HE2 PHE A 65 -4.209 0.133 2.041 1.00 0.42 H new ATOM 0 HZ PHE A 65 -5.253 1.994 3.268 1.00 0.48 H new ATOM 1025 N LEU A 66 -6.693 0.389 -2.793 1.00 0.32 N ATOM 1026 CA LEU A 66 -5.612 1.151 -3.412 1.00 0.35 C ATOM 1027 C LEU A 66 -6.160 2.155 -4.419 1.00 0.37 C ATOM 1028 O LEU A 66 -5.600 3.236 -4.600 1.00 0.42 O ATOM 1029 CB LEU A 66 -4.621 0.208 -4.103 1.00 0.39 C ATOM 1030 CG LEU A 66 -3.421 -0.223 -3.254 1.00 0.49 C ATOM 1031 CD1 LEU A 66 -2.561 0.978 -2.888 1.00 0.65 C ATOM 1032 CD2 LEU A 66 -3.883 -0.952 -2.001 1.00 0.61 C ATOM 0 H LEU A 66 -6.669 -0.612 -2.987 1.00 0.32 H new ATOM 0 HA LEU A 66 -5.093 1.698 -2.625 1.00 0.35 H new ATOM 0 HB2 LEU A 66 -5.158 -0.685 -4.422 1.00 0.39 H new ATOM 0 HB3 LEU A 66 -4.250 0.696 -5.004 1.00 0.39 H new ATOM 0 HG LEU A 66 -2.815 -0.909 -3.846 1.00 0.49 H new ATOM 0 HD11 LEU A 66 -1.715 0.649 -2.285 1.00 0.65 H new ATOM 0 HD12 LEU A 66 -2.195 1.454 -3.798 1.00 0.65 H new ATOM 0 HD13 LEU A 66 -3.156 1.692 -2.319 1.00 0.65 H new ATOM 0 HD21 LEU A 66 -3.015 -1.249 -1.412 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -4.515 -0.291 -1.408 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -4.450 -1.839 -2.284 1.00 0.61 H new ATOM 1044 N ASN A 67 -7.256 1.790 -5.075 1.00 0.37 N ATOM 1045 CA ASN A 67 -7.883 2.657 -6.067 1.00 0.42 C ATOM 1046 C ASN A 67 -8.394 3.946 -5.428 1.00 0.41 C ATOM 1047 O ASN A 67 -8.654 4.931 -6.120 1.00 0.66 O ATOM 1048 CB ASN A 67 -9.037 1.926 -6.757 1.00 0.47 C ATOM 1049 CG ASN A 67 -9.518 2.647 -8.000 1.00 0.84 C ATOM 1050 OD1 ASN A 67 -8.730 3.255 -8.724 1.00 1.10 O ATOM 1051 ND2 ASN A 67 -10.820 2.584 -8.254 1.00 1.48 N ATOM 0 H ASN A 67 -7.730 0.897 -4.937 1.00 0.37 H new ATOM 0 HA ASN A 67 -7.128 2.918 -6.809 1.00 0.42 H new ATOM 0 HB2 ASN A 67 -8.717 0.919 -7.026 1.00 0.47 H new ATOM 0 HB3 ASN A 67 -9.866 1.821 -6.058 1.00 0.47 H new ATOM 0 HD21 ASN A 67 -11.202 3.051 -9.076 1.00 1.48 H new ATOM 0 HD22 ASN A 67 -11.438 2.069 -7.627 1.00 1.48 H new ATOM 1058 N ILE A 68 -8.535 3.935 -4.104 1.00 0.33 N ATOM 1059 CA ILE A 68 -9.019 5.105 -3.378 1.00 0.35 C ATOM 1060 C ILE A 68 -7.882 5.829 -2.661 1.00 0.35 C ATOM 1061 O ILE A 68 -7.728 7.043 -2.792 1.00 0.41 O ATOM 1062 CB ILE A 68 -10.100 4.720 -2.347 1.00 0.40 C ATOM 1063 CG1 ILE A 68 -11.182 3.856 -3.000 1.00 0.43 C ATOM 1064 CG2 ILE A 68 -10.713 5.970 -1.732 1.00 0.46 C ATOM 1065 CD1 ILE A 68 -12.000 3.058 -2.008 1.00 0.52 C ATOM 0 H ILE A 68 -8.321 3.131 -3.514 1.00 0.33 H new ATOM 0 HA ILE A 68 -9.454 5.774 -4.120 1.00 0.35 H new ATOM 0 HB ILE A 68 -9.631 4.138 -1.554 1.00 0.40 H new ATOM 0 HG12 ILE A 68 -11.849 4.497 -3.576 1.00 0.43 H new ATOM 0 HG13 ILE A 68 -10.712 3.171 -3.705 1.00 0.43 H new ATOM 0 HG21 ILE A 68 -11.474 5.683 -1.006 1.00 0.46 H new ATOM 0 HG22 ILE A 68 -9.936 6.549 -1.233 1.00 0.46 H new ATOM 0 HG23 ILE A 68 -11.169 6.575 -2.516 1.00 0.46 H new ATOM 0 HD11 ILE A 68 -12.747 2.470 -2.542 1.00 0.52 H new ATOM 0 HD12 ILE A 68 -11.344 2.391 -1.449 1.00 0.52 H new ATOM 0 HD13 ILE A 68 -12.499 3.738 -1.318 1.00 0.52 H new ATOM 1077 N TRP A 69 -7.091 5.076 -1.904 1.00 0.35 N ATOM 1078 CA TRP A 69 -5.970 5.646 -1.162 1.00 0.38 C ATOM 1079 C TRP A 69 -4.842 6.053 -2.105 1.00 0.45 C ATOM 1080 O TRP A 69 -3.912 6.756 -1.710 1.00 0.62 O ATOM 1081 CB TRP A 69 -5.454 4.638 -0.132 1.00 0.42 C ATOM 1082 CG TRP A 69 -4.476 5.224 0.843 1.00 0.43 C ATOM 1083 CD1 TRP A 69 -4.675 6.302 1.657 1.00 0.45 C ATOM 1084 CD2 TRP A 69 -3.146 4.761 1.106 1.00 0.48 C ATOM 1085 NE1 TRP A 69 -3.549 6.538 2.410 1.00 0.48 N ATOM 1086 CE2 TRP A 69 -2.597 5.605 2.090 1.00 0.50 C ATOM 1087 CE3 TRP A 69 -2.368 3.713 0.606 1.00 0.55 C ATOM 1088 CZ2 TRP A 69 -1.305 5.433 2.582 1.00 0.57 C ATOM 1089 CZ3 TRP A 69 -1.087 3.544 1.095 1.00 0.62 C ATOM 1090 CH2 TRP A 69 -0.567 4.399 2.074 1.00 0.63 C ATOM 0 H TRP A 69 -7.205 4.069 -1.787 1.00 0.35 H new ATOM 0 HA TRP A 69 -6.322 6.538 -0.645 1.00 0.38 H new ATOM 0 HB2 TRP A 69 -6.301 4.227 0.418 1.00 0.42 H new ATOM 0 HB3 TRP A 69 -4.980 3.807 -0.655 1.00 0.42 H new ATOM 0 HD1 TRP A 69 -5.584 6.884 1.703 1.00 0.45 H new ATOM 0 HE1 TRP A 69 -3.440 7.286 3.095 1.00 0.48 H new ATOM 0 HE3 TRP A 69 -2.761 3.048 -0.149 1.00 0.55 H new ATOM 0 HZ2 TRP A 69 -0.901 6.092 3.337 1.00 0.57 H new ATOM 0 HZ3 TRP A 69 -0.476 2.738 0.715 1.00 0.62 H new ATOM 0 HH2 TRP A 69 0.438 4.239 2.436 1.00 0.63 H new ATOM 1101 N GLY A 70 -4.933 5.609 -3.355 1.00 0.59 N ATOM 1102 CA GLY A 70 -3.915 5.936 -4.334 1.00 0.74 C ATOM 1103 C GLY A 70 -4.475 6.672 -5.535 1.00 0.86 C ATOM 1104 O GLY A 70 -5.017 6.055 -6.451 1.00 1.08 O ATOM 0 H GLY A 70 -5.694 5.028 -3.706 1.00 0.59 H new ATOM 0 HA2 GLY A 70 -3.147 6.549 -3.863 1.00 0.74 H new ATOM 0 HA3 GLY A 70 -3.430 5.019 -4.668 1.00 0.74 H new ATOM 1108 N GLY A 71 -4.345 7.996 -5.531 1.00 0.96 N ATOM 1109 CA GLY A 71 -4.845 8.793 -6.636 1.00 1.16 C ATOM 1110 C GLY A 71 -5.537 10.063 -6.178 1.00 1.26 C ATOM 1111 O GLY A 71 -5.648 11.025 -6.940 1.00 1.54 O ATOM 0 H GLY A 71 -3.903 8.530 -4.783 1.00 0.96 H new ATOM 0 HA2 GLY A 71 -4.016 9.053 -7.295 1.00 1.16 H new ATOM 0 HA3 GLY A 71 -5.543 8.196 -7.223 1.00 1.16 H new ATOM 1115 N GLN A 72 -6.004 10.068 -4.933 1.00 1.15 N ATOM 1116 CA GLN A 72 -6.692 11.230 -4.380 1.00 1.31 C ATOM 1117 C GLN A 72 -5.809 11.966 -3.378 1.00 1.31 C ATOM 1118 O GLN A 72 -5.887 13.189 -3.250 1.00 1.64 O ATOM 1119 CB GLN A 72 -7.999 10.804 -3.708 1.00 1.35 C ATOM 1120 CG GLN A 72 -8.789 9.778 -4.504 1.00 1.21 C ATOM 1121 CD GLN A 72 -10.193 9.578 -3.966 1.00 1.42 C ATOM 1122 OE1 GLN A 72 -10.393 8.903 -2.956 1.00 1.84 O ATOM 1123 NE2 GLN A 72 -11.173 10.168 -4.639 1.00 1.99 N ATOM 0 H GLN A 72 -5.919 9.282 -4.289 1.00 1.15 H new ATOM 0 HA GLN A 72 -6.917 11.909 -5.203 1.00 1.31 H new ATOM 0 HB2 GLN A 72 -7.774 10.393 -2.724 1.00 1.35 H new ATOM 0 HB3 GLN A 72 -8.620 11.686 -3.550 1.00 1.35 H new ATOM 0 HG2 GLN A 72 -8.845 10.096 -5.545 1.00 1.21 H new ATOM 0 HG3 GLN A 72 -8.259 8.826 -4.489 1.00 1.21 H new ATOM 0 HE21 GLN A 72 -10.961 10.718 -5.471 1.00 1.99 H new ATOM 0 HE22 GLN A 72 -12.138 10.071 -4.324 1.00 1.99 H new ATOM 1132 N TYR A 73 -4.973 11.216 -2.668 1.00 1.08 N ATOM 1133 CA TYR A 73 -4.078 11.800 -1.675 1.00 1.16 C ATOM 1134 C TYR A 73 -2.674 11.981 -2.239 1.00 1.24 C ATOM 1135 O TYR A 73 -1.871 12.741 -1.695 1.00 1.49 O ATOM 1136 CB TYR A 73 -4.025 10.918 -0.426 1.00 1.13 C ATOM 1137 CG TYR A 73 -5.367 10.736 0.245 1.00 1.13 C ATOM 1138 CD1 TYR A 73 -5.908 11.737 1.040 1.00 1.46 C ATOM 1139 CD2 TYR A 73 -6.092 9.562 0.084 1.00 0.90 C ATOM 1140 CE1 TYR A 73 -7.135 11.575 1.657 1.00 1.53 C ATOM 1141 CE2 TYR A 73 -7.320 9.392 0.695 1.00 0.97 C ATOM 1142 CZ TYR A 73 -7.837 10.401 1.480 1.00 1.27 C ATOM 1143 OH TYR A 73 -9.058 10.235 2.093 1.00 1.38 O ATOM 0 H TYR A 73 -4.896 10.203 -2.761 1.00 1.08 H new ATOM 0 HA TYR A 73 -4.470 12.781 -1.407 1.00 1.16 H new ATOM 0 HB2 TYR A 73 -3.629 9.940 -0.699 1.00 1.13 H new ATOM 0 HB3 TYR A 73 -3.328 11.356 0.288 1.00 1.13 H new ATOM 0 HD1 TYR A 73 -5.361 12.658 1.179 1.00 1.46 H new ATOM 0 HD2 TYR A 73 -5.689 8.769 -0.529 1.00 0.90 H new ATOM 0 HE1 TYR A 73 -7.541 12.363 2.274 1.00 1.53 H new ATOM 0 HE2 TYR A 73 -7.872 8.474 0.558 1.00 0.97 H new ATOM 0 HH TYR A 73 -9.526 9.475 1.689 1.00 1.38 H new ATOM 1153 N ASN A 74 -2.384 11.279 -3.332 1.00 1.23 N ATOM 1154 CA ASN A 74 -1.072 11.357 -3.968 1.00 1.34 C ATOM 1155 C ASN A 74 0.030 11.004 -2.972 1.00 0.95 C ATOM 1156 O ASN A 74 0.977 11.767 -2.776 1.00 1.38 O ATOM 1157 CB ASN A 74 -0.839 12.756 -4.545 1.00 1.91 C ATOM 1158 CG ASN A 74 -1.149 12.829 -6.027 1.00 2.53 C ATOM 1159 OD1 ASN A 74 -2.145 12.275 -6.493 1.00 3.01 O ATOM 1160 ND2 ASN A 74 -0.294 13.514 -6.777 1.00 3.10 N ATOM 0 H ASN A 74 -3.040 10.650 -3.795 1.00 1.23 H new ATOM 0 HA ASN A 74 -1.044 10.635 -4.784 1.00 1.34 H new ATOM 0 HB2 ASN A 74 -1.461 13.475 -4.011 1.00 1.91 H new ATOM 0 HB3 ASN A 74 0.198 13.046 -4.379 1.00 1.91 H new ATOM 0 HD21 ASN A 74 -0.450 13.597 -7.782 1.00 3.10 H new ATOM 0 HD22 ASN A 74 0.519 13.957 -6.349 1.00 3.10 H new ATOM 1167 N HIS A 75 -0.105 9.839 -2.346 1.00 0.64 N ATOM 1168 CA HIS A 75 0.868 9.373 -1.366 1.00 0.65 C ATOM 1169 C HIS A 75 2.126 8.849 -2.055 1.00 0.56 C ATOM 1170 O HIS A 75 2.358 9.128 -3.232 1.00 1.01 O ATOM 1171 CB HIS A 75 0.245 8.280 -0.492 1.00 1.06 C ATOM 1172 CG HIS A 75 0.141 8.660 0.952 1.00 1.69 C ATOM 1173 ND1 HIS A 75 -0.614 9.601 1.569 1.00 2.23 N flip ATOM 1174 CD2 HIS A 75 0.872 8.045 1.948 1.00 2.43 C flip ATOM 1175 CE1 HIS A 75 -0.327 9.537 2.910 1.00 2.72 C flip ATOM 1176 NE2 HIS A 75 0.570 8.591 3.112 1.00 2.80 N flip ATOM 0 H HIS A 75 -0.883 9.198 -2.502 1.00 0.64 H new ATOM 0 HA HIS A 75 1.154 10.214 -0.735 1.00 0.65 H new ATOM 0 HB2 HIS A 75 -0.750 8.045 -0.871 1.00 1.06 H new ATOM 0 HB3 HIS A 75 0.841 7.372 -0.579 1.00 1.06 H new ATOM 0 HD1 HIS A 75 -1.273 10.238 1.121 1.00 2.23 H new ATOM 0 HD2 HIS A 75 1.580 7.243 1.799 1.00 2.43 H new ATOM 0 HE1 HIS A 75 -0.765 10.160 3.676 1.00 2.72 H new ATOM 1185 N THR A 76 2.937 8.093 -1.319 1.00 0.64 N ATOM 1186 CA THR A 76 4.167 7.532 -1.868 1.00 0.64 C ATOM 1187 C THR A 76 4.406 6.121 -1.343 1.00 0.51 C ATOM 1188 O THR A 76 3.812 5.710 -0.345 1.00 0.43 O ATOM 1189 CB THR A 76 5.390 8.406 -1.525 1.00 0.89 C ATOM 1190 OG1 THR A 76 5.641 8.368 -0.115 1.00 1.17 O ATOM 1191 CG2 THR A 76 5.174 9.846 -1.966 1.00 1.07 C ATOM 0 H THR A 76 2.764 7.855 -0.342 1.00 0.64 H new ATOM 0 HA THR A 76 4.044 7.502 -2.951 1.00 0.64 H new ATOM 0 HB THR A 76 6.251 8.006 -2.060 1.00 0.89 H new ATOM 0 HG1 THR A 76 6.420 8.924 0.094 1.00 1.17 H new ATOM 0 HG21 THR A 76 6.052 10.440 -1.712 1.00 1.07 H new ATOM 0 HG22 THR A 76 5.015 9.876 -3.044 1.00 1.07 H new ATOM 0 HG23 THR A 76 4.300 10.255 -1.459 1.00 1.07 H new ATOM 1199 N VAL A 77 5.279 5.384 -2.022 1.00 0.53 N ATOM 1200 CA VAL A 77 5.597 4.013 -1.631 1.00 0.49 C ATOM 1201 C VAL A 77 6.255 3.968 -0.256 1.00 0.40 C ATOM 1202 O VAL A 77 6.367 2.906 0.356 1.00 0.39 O ATOM 1203 CB VAL A 77 6.527 3.333 -2.655 1.00 0.61 C ATOM 1204 CG1 VAL A 77 6.451 1.821 -2.523 1.00 1.22 C ATOM 1205 CG2 VAL A 77 6.178 3.768 -4.071 1.00 1.25 C ATOM 0 H VAL A 77 5.780 5.713 -2.847 1.00 0.53 H new ATOM 0 HA VAL A 77 4.652 3.472 -1.596 1.00 0.49 H new ATOM 0 HB VAL A 77 7.551 3.644 -2.447 1.00 0.61 H new ATOM 0 HG11 VAL A 77 7.114 1.358 -3.254 1.00 1.22 H new ATOM 0 HG12 VAL A 77 6.757 1.528 -1.519 1.00 1.22 H new ATOM 0 HG13 VAL A 77 5.428 1.491 -2.702 1.00 1.22 H new ATOM 0 HG21 VAL A 77 6.846 3.276 -4.778 1.00 1.25 H new ATOM 0 HG22 VAL A 77 5.147 3.491 -4.293 1.00 1.25 H new ATOM 0 HG23 VAL A 77 6.290 4.849 -4.158 1.00 1.25 H new ATOM 1215 N GLN A 78 6.689 5.127 0.227 1.00 0.42 N ATOM 1216 CA GLN A 78 7.336 5.219 1.530 1.00 0.42 C ATOM 1217 C GLN A 78 6.383 4.790 2.641 1.00 0.37 C ATOM 1218 O GLN A 78 6.624 3.799 3.332 1.00 0.35 O ATOM 1219 CB GLN A 78 7.821 6.647 1.785 1.00 0.54 C ATOM 1220 CG GLN A 78 8.996 6.728 2.744 1.00 1.05 C ATOM 1221 CD GLN A 78 8.590 7.216 4.121 1.00 1.49 C ATOM 1222 OE1 GLN A 78 8.072 8.323 4.272 1.00 2.24 O ATOM 1223 NE2 GLN A 78 8.825 6.391 5.134 1.00 1.87 N ATOM 0 H GLN A 78 6.604 6.016 -0.265 1.00 0.42 H new ATOM 0 HA GLN A 78 8.194 4.546 1.529 1.00 0.42 H new ATOM 0 HB2 GLN A 78 8.106 7.100 0.835 1.00 0.54 H new ATOM 0 HB3 GLN A 78 6.996 7.236 2.184 1.00 0.54 H new ATOM 0 HG2 GLN A 78 9.457 5.744 2.832 1.00 1.05 H new ATOM 0 HG3 GLN A 78 9.751 7.398 2.333 1.00 1.05 H new ATOM 0 HE21 GLN A 78 9.256 5.483 4.963 1.00 1.87 H new ATOM 0 HE22 GLN A 78 8.574 6.665 6.084 1.00 1.87 H new ATOM 1232 N THR A 79 5.300 5.545 2.806 1.00 0.42 N ATOM 1233 CA THR A 79 4.303 5.247 3.830 1.00 0.45 C ATOM 1234 C THR A 79 3.794 3.816 3.709 1.00 0.39 C ATOM 1235 O THR A 79 3.429 3.190 4.704 1.00 0.40 O ATOM 1236 CB THR A 79 3.106 6.213 3.746 1.00 0.56 C ATOM 1237 OG1 THR A 79 3.571 7.560 3.597 1.00 0.65 O ATOM 1238 CG2 THR A 79 2.237 6.107 4.991 1.00 0.71 C ATOM 0 H THR A 79 5.090 6.369 2.243 1.00 0.42 H new ATOM 0 HA THR A 79 4.797 5.372 4.794 1.00 0.45 H new ATOM 0 HB THR A 79 2.507 5.938 2.878 1.00 0.56 H new ATOM 0 HG1 THR A 79 3.016 8.160 4.138 1.00 0.65 H new ATOM 0 HG21 THR A 79 1.398 6.798 4.909 1.00 0.71 H new ATOM 0 HG22 THR A 79 1.860 5.089 5.086 1.00 0.71 H new ATOM 0 HG23 THR A 79 2.830 6.358 5.871 1.00 0.71 H new ATOM 1246 N LEU A 80 3.771 3.303 2.482 1.00 0.35 N ATOM 1247 CA LEU A 80 3.307 1.944 2.229 1.00 0.34 C ATOM 1248 C LEU A 80 4.168 0.929 2.975 1.00 0.32 C ATOM 1249 O LEU A 80 3.651 0.024 3.630 1.00 0.34 O ATOM 1250 CB LEU A 80 3.327 1.651 0.726 1.00 0.37 C ATOM 1251 CG LEU A 80 2.983 0.212 0.334 1.00 0.42 C ATOM 1252 CD1 LEU A 80 1.549 -0.121 0.715 1.00 0.47 C ATOM 1253 CD2 LEU A 80 3.200 0.003 -1.158 1.00 0.50 C ATOM 0 H LEU A 80 4.069 3.809 1.648 1.00 0.35 H new ATOM 0 HA LEU A 80 2.283 1.858 2.594 1.00 0.34 H new ATOM 0 HB2 LEU A 80 2.624 2.322 0.233 1.00 0.37 H new ATOM 0 HB3 LEU A 80 4.318 1.888 0.340 1.00 0.37 H new ATOM 0 HG LEU A 80 3.646 -0.460 0.879 1.00 0.42 H new ATOM 0 HD11 LEU A 80 1.325 -1.148 0.427 1.00 0.47 H new ATOM 0 HD12 LEU A 80 1.424 -0.010 1.792 1.00 0.47 H new ATOM 0 HD13 LEU A 80 0.869 0.556 0.199 1.00 0.47 H new ATOM 0 HD21 LEU A 80 2.951 -1.025 -1.421 1.00 0.50 H new ATOM 0 HD22 LEU A 80 2.561 0.686 -1.718 1.00 0.50 H new ATOM 0 HD23 LEU A 80 4.244 0.198 -1.405 1.00 0.50 H new ATOM 1265 N PHE A 81 5.484 1.085 2.867 1.00 0.33 N ATOM 1266 CA PHE A 81 6.420 0.187 3.536 1.00 0.36 C ATOM 1267 C PHE A 81 6.250 0.253 5.051 1.00 0.37 C ATOM 1268 O PHE A 81 6.060 -0.771 5.710 1.00 0.38 O ATOM 1269 CB PHE A 81 7.860 0.543 3.158 1.00 0.41 C ATOM 1270 CG PHE A 81 8.850 -0.543 3.474 1.00 0.47 C ATOM 1271 CD1 PHE A 81 9.434 -0.622 4.728 1.00 0.55 C ATOM 1272 CD2 PHE A 81 9.195 -1.484 2.518 1.00 0.59 C ATOM 1273 CE1 PHE A 81 10.344 -1.619 5.022 1.00 0.67 C ATOM 1274 CE2 PHE A 81 10.105 -2.484 2.806 1.00 0.71 C ATOM 1275 CZ PHE A 81 10.680 -2.551 4.060 1.00 0.73 C ATOM 0 H PHE A 81 5.927 1.825 2.322 1.00 0.33 H new ATOM 0 HA PHE A 81 6.205 -0.830 3.208 1.00 0.36 H new ATOM 0 HB2 PHE A 81 7.903 0.764 2.091 1.00 0.41 H new ATOM 0 HB3 PHE A 81 8.151 1.453 3.684 1.00 0.41 H new ATOM 0 HD1 PHE A 81 9.175 0.104 5.484 1.00 0.55 H new ATOM 0 HD2 PHE A 81 8.748 -1.436 1.536 1.00 0.59 H new ATOM 0 HE1 PHE A 81 10.792 -1.669 6.003 1.00 0.67 H new ATOM 0 HE2 PHE A 81 10.366 -3.212 2.052 1.00 0.71 H new ATOM 0 HZ PHE A 81 11.391 -3.331 4.288 1.00 0.73 H new ATOM 1285 N ALA A 82 6.320 1.464 5.596 1.00 0.45 N ATOM 1286 CA ALA A 82 6.181 1.671 7.035 1.00 0.52 C ATOM 1287 C ALA A 82 4.815 1.214 7.540 1.00 0.45 C ATOM 1288 O ALA A 82 4.649 0.922 8.723 1.00 0.43 O ATOM 1289 CB ALA A 82 6.407 3.136 7.378 1.00 0.67 C ATOM 0 H ALA A 82 6.473 2.319 5.062 1.00 0.45 H new ATOM 0 HA ALA A 82 6.938 1.065 7.533 1.00 0.52 H new ATOM 0 HB1 ALA A 82 6.301 3.278 8.453 1.00 0.67 H new ATOM 0 HB2 ALA A 82 7.410 3.431 7.070 1.00 0.67 H new ATOM 0 HB3 ALA A 82 5.672 3.749 6.857 1.00 0.67 H new ATOM 1295 N LEU A 83 3.840 1.159 6.638 1.00 0.44 N ATOM 1296 CA LEU A 83 2.490 0.739 7.000 1.00 0.41 C ATOM 1297 C LEU A 83 2.463 -0.736 7.397 1.00 0.36 C ATOM 1298 O LEU A 83 1.927 -1.096 8.445 1.00 0.36 O ATOM 1299 CB LEU A 83 1.527 0.987 5.836 1.00 0.46 C ATOM 1300 CG LEU A 83 0.099 0.475 6.047 1.00 0.53 C ATOM 1301 CD1 LEU A 83 -0.609 1.286 7.121 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -0.680 0.526 4.740 1.00 1.23 C ATOM 0 H LEU A 83 3.959 1.399 5.654 1.00 0.44 H new ATOM 0 HA LEU A 83 2.171 1.330 7.858 1.00 0.41 H new ATOM 0 HB2 LEU A 83 1.486 2.059 5.642 1.00 0.46 H new ATOM 0 HB3 LEU A 83 1.936 0.517 4.942 1.00 0.46 H new ATOM 0 HG LEU A 83 0.151 -0.561 6.381 1.00 0.53 H new ATOM 0 HD11 LEU A 83 -1.622 0.906 7.255 1.00 1.08 H new ATOM 0 HD12 LEU A 83 -0.062 1.202 8.060 1.00 1.08 H new ATOM 0 HD13 LEU A 83 -0.651 2.332 6.818 1.00 1.08 H new ATOM 0 HD21 LEU A 83 -1.693 0.159 4.906 1.00 1.23 H new ATOM 0 HD22 LEU A 83 -0.721 1.554 4.381 1.00 1.23 H new ATOM 0 HD23 LEU A 83 -0.185 -0.099 3.997 1.00 1.23 H new ATOM 1314 N PHE A 84 3.044 -1.581 6.551 1.00 0.37 N ATOM 1315 CA PHE A 84 3.084 -3.019 6.805 1.00 0.39 C ATOM 1316 C PHE A 84 3.791 -3.337 8.121 1.00 0.39 C ATOM 1317 O PHE A 84 3.573 -4.396 8.709 1.00 0.41 O ATOM 1318 CB PHE A 84 3.786 -3.739 5.651 1.00 0.45 C ATOM 1319 CG PHE A 84 2.988 -3.752 4.376 1.00 0.41 C ATOM 1320 CD1 PHE A 84 1.721 -4.311 4.339 1.00 0.46 C ATOM 1321 CD2 PHE A 84 3.509 -3.205 3.213 1.00 0.40 C ATOM 1322 CE1 PHE A 84 0.987 -4.325 3.168 1.00 0.46 C ATOM 1323 CE2 PHE A 84 2.780 -3.216 2.039 1.00 0.41 C ATOM 1324 CZ PHE A 84 1.518 -3.776 2.017 1.00 0.42 C ATOM 0 H PHE A 84 3.495 -1.295 5.682 1.00 0.37 H new ATOM 0 HA PHE A 84 2.055 -3.371 6.881 1.00 0.39 H new ATOM 0 HB2 PHE A 84 4.746 -3.258 5.464 1.00 0.45 H new ATOM 0 HB3 PHE A 84 3.996 -4.766 5.949 1.00 0.45 H new ATOM 0 HD1 PHE A 84 1.302 -4.741 5.236 1.00 0.46 H new ATOM 0 HD2 PHE A 84 4.495 -2.766 3.225 1.00 0.40 H new ATOM 0 HE1 PHE A 84 0.000 -4.764 3.153 1.00 0.46 H new ATOM 0 HE2 PHE A 84 3.197 -2.787 1.140 1.00 0.41 H new ATOM 0 HZ PHE A 84 0.947 -3.785 1.101 1.00 0.42 H new ATOM 1334 N LYS A 85 4.640 -2.419 8.576 1.00 0.43 N ATOM 1335 CA LYS A 85 5.379 -2.610 9.822 1.00 0.47 C ATOM 1336 C LYS A 85 4.438 -2.915 10.987 1.00 0.48 C ATOM 1337 O LYS A 85 4.854 -3.477 12.000 1.00 0.51 O ATOM 1338 CB LYS A 85 6.214 -1.368 10.141 1.00 0.56 C ATOM 1339 CG LYS A 85 7.321 -1.104 9.134 1.00 0.83 C ATOM 1340 CD LYS A 85 8.636 -1.728 9.576 1.00 0.64 C ATOM 1341 CE LYS A 85 9.655 -0.667 9.956 1.00 1.03 C ATOM 1342 NZ LYS A 85 10.051 -0.763 11.388 1.00 1.59 N ATOM 0 H LYS A 85 4.833 -1.537 8.102 1.00 0.43 H new ATOM 0 HA LYS A 85 6.042 -3.465 9.686 1.00 0.47 H new ATOM 0 HB2 LYS A 85 5.557 -0.499 10.182 1.00 0.56 H new ATOM 0 HB3 LYS A 85 6.655 -1.481 11.131 1.00 0.56 H new ATOM 0 HG2 LYS A 85 7.034 -1.506 8.162 1.00 0.83 H new ATOM 0 HG3 LYS A 85 7.451 -0.029 9.008 1.00 0.83 H new ATOM 0 HD2 LYS A 85 8.460 -2.386 10.427 1.00 0.64 H new ATOM 0 HD3 LYS A 85 9.035 -2.346 8.772 1.00 0.64 H new ATOM 0 HE2 LYS A 85 10.539 -0.772 9.327 1.00 1.03 H new ATOM 0 HE3 LYS A 85 9.240 0.322 9.760 1.00 1.03 H new ATOM 0 HZ1 LYS A 85 10.747 -0.022 11.606 1.00 1.59 H new ATOM 0 HZ2 LYS A 85 9.212 -0.638 11.989 1.00 1.59 H new ATOM 0 HZ3 LYS A 85 10.471 -1.697 11.570 1.00 1.59 H new ATOM 1356 N LYS A 86 3.172 -2.538 10.836 1.00 0.52 N ATOM 1357 CA LYS A 86 2.174 -2.768 11.876 1.00 0.59 C ATOM 1358 C LYS A 86 2.047 -4.254 12.201 1.00 0.61 C ATOM 1359 O LYS A 86 2.302 -4.674 13.329 1.00 0.69 O ATOM 1360 CB LYS A 86 0.818 -2.213 11.438 1.00 0.71 C ATOM 1361 CG LYS A 86 -0.031 -1.707 12.593 1.00 1.05 C ATOM 1362 CD LYS A 86 -1.507 -1.686 12.232 1.00 1.31 C ATOM 1363 CE LYS A 86 -2.366 -2.211 13.371 1.00 1.84 C ATOM 1364 NZ LYS A 86 -3.751 -1.665 13.321 1.00 2.31 N ATOM 0 H LYS A 86 2.812 -2.072 10.003 1.00 0.52 H new ATOM 0 HA LYS A 86 2.502 -2.249 12.777 1.00 0.59 H new ATOM 0 HB2 LYS A 86 0.979 -1.399 10.731 1.00 0.71 H new ATOM 0 HB3 LYS A 86 0.270 -2.992 10.908 1.00 0.71 H new ATOM 0 HG2 LYS A 86 0.122 -2.343 13.465 1.00 1.05 H new ATOM 0 HG3 LYS A 86 0.291 -0.703 12.870 1.00 1.05 H new ATOM 0 HD2 LYS A 86 -1.808 -0.668 11.987 1.00 1.31 H new ATOM 0 HD3 LYS A 86 -1.673 -2.291 11.341 1.00 1.31 H new ATOM 0 HE2 LYS A 86 -2.403 -3.299 13.325 1.00 1.84 H new ATOM 0 HE3 LYS A 86 -1.906 -1.947 14.323 1.00 1.84 H new ATOM 0 HZ1 LYS A 86 -4.304 -2.048 14.115 1.00 2.31 H new ATOM 0 HZ2 LYS A 86 -3.718 -0.628 13.390 1.00 2.31 H new ATOM 0 HZ3 LYS A 86 -4.200 -1.938 12.423 1.00 2.31 H new ATOM 1378 N LEU A 87 1.651 -5.044 11.208 1.00 0.61 N ATOM 1379 CA LEU A 87 1.491 -6.483 11.393 1.00 0.70 C ATOM 1380 C LEU A 87 2.759 -7.226 10.994 1.00 0.63 C ATOM 1381 O LEU A 87 2.805 -8.456 11.034 1.00 0.74 O ATOM 1382 CB LEU A 87 0.307 -7.002 10.572 1.00 0.80 C ATOM 1383 CG LEU A 87 -0.779 -5.967 10.269 1.00 1.04 C ATOM 1384 CD1 LEU A 87 -1.722 -6.482 9.193 1.00 1.57 C ATOM 1385 CD2 LEU A 87 -1.552 -5.619 11.534 1.00 1.46 C ATOM 0 H LEU A 87 1.435 -4.713 10.268 1.00 0.61 H new ATOM 0 HA LEU A 87 1.298 -6.665 12.450 1.00 0.70 H new ATOM 0 HB2 LEU A 87 0.685 -7.396 9.628 1.00 0.80 H new ATOM 0 HB3 LEU A 87 -0.147 -7.836 11.107 1.00 0.80 H new ATOM 0 HG LEU A 87 -0.298 -5.062 9.899 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -2.487 -5.733 8.991 1.00 1.57 H new ATOM 0 HD12 LEU A 87 -1.159 -6.681 8.281 1.00 1.57 H new ATOM 0 HD13 LEU A 87 -2.196 -7.402 9.535 1.00 1.57 H new ATOM 0 HD21 LEU A 87 -2.320 -4.882 11.300 1.00 1.46 H new ATOM 0 HD22 LEU A 87 -2.022 -6.518 11.932 1.00 1.46 H new ATOM 0 HD23 LEU A 87 -0.868 -5.207 12.277 1.00 1.46 H new ATOM 1397 N LYS A 88 3.788 -6.472 10.613 1.00 0.52 N ATOM 1398 CA LYS A 88 5.055 -7.063 10.197 1.00 0.53 C ATOM 1399 C LYS A 88 4.816 -8.101 9.106 1.00 0.51 C ATOM 1400 O LYS A 88 5.027 -9.297 9.313 1.00 0.56 O ATOM 1401 CB LYS A 88 5.765 -7.705 11.392 1.00 0.69 C ATOM 1402 CG LYS A 88 6.851 -6.830 11.995 1.00 1.16 C ATOM 1403 CD LYS A 88 7.634 -7.572 13.067 1.00 1.45 C ATOM 1404 CE LYS A 88 7.029 -7.361 14.445 1.00 2.05 C ATOM 1405 NZ LYS A 88 7.682 -6.236 15.171 1.00 2.87 N ATOM 0 H LYS A 88 3.768 -5.453 10.584 1.00 0.52 H new ATOM 0 HA LYS A 88 5.693 -6.274 9.799 1.00 0.53 H new ATOM 0 HB2 LYS A 88 5.028 -7.936 12.161 1.00 0.69 H new ATOM 0 HB3 LYS A 88 6.205 -8.651 11.077 1.00 0.69 H new ATOM 0 HG2 LYS A 88 7.531 -6.499 11.210 1.00 1.16 H new ATOM 0 HG3 LYS A 88 6.401 -5.935 12.425 1.00 1.16 H new ATOM 0 HD2 LYS A 88 7.651 -8.637 12.835 1.00 1.45 H new ATOM 0 HD3 LYS A 88 8.669 -7.229 13.066 1.00 1.45 H new ATOM 0 HE2 LYS A 88 5.962 -7.159 14.346 1.00 2.05 H new ATOM 0 HE3 LYS A 88 7.128 -8.276 15.029 1.00 2.05 H new ATOM 0 HZ1 LYS A 88 7.241 -6.124 16.106 1.00 2.87 H new ATOM 0 HZ2 LYS A 88 8.695 -6.440 15.288 1.00 2.87 H new ATOM 0 HZ3 LYS A 88 7.566 -5.358 14.626 1.00 2.87 H new ATOM 1419 N LEU A 89 4.372 -7.635 7.944 1.00 0.47 N ATOM 1420 CA LEU A 89 4.090 -8.524 6.826 1.00 0.46 C ATOM 1421 C LEU A 89 5.340 -8.746 5.978 1.00 0.45 C ATOM 1422 O LEU A 89 5.594 -8.009 5.025 1.00 0.43 O ATOM 1423 CB LEU A 89 2.958 -7.962 5.964 1.00 0.48 C ATOM 1424 CG LEU A 89 1.639 -7.732 6.706 1.00 0.78 C ATOM 1425 CD1 LEU A 89 1.702 -6.439 7.491 1.00 1.25 C ATOM 1426 CD2 LEU A 89 0.472 -7.716 5.732 1.00 1.31 C ATOM 0 H LEU A 89 4.200 -6.648 7.753 1.00 0.47 H new ATOM 0 HA LEU A 89 3.775 -9.486 7.231 1.00 0.46 H new ATOM 0 HB2 LEU A 89 3.285 -7.016 5.531 1.00 0.48 H new ATOM 0 HB3 LEU A 89 2.778 -8.646 5.135 1.00 0.48 H new ATOM 0 HG LEU A 89 1.483 -8.554 7.405 1.00 0.78 H new ATOM 0 HD11 LEU A 89 0.759 -6.285 8.015 1.00 1.25 H new ATOM 0 HD12 LEU A 89 2.515 -6.492 8.215 1.00 1.25 H new ATOM 0 HD13 LEU A 89 1.878 -5.607 6.809 1.00 1.25 H new ATOM 0 HD21 LEU A 89 -0.456 -7.551 6.279 1.00 1.31 H new ATOM 0 HD22 LEU A 89 0.614 -6.914 5.008 1.00 1.31 H new ATOM 0 HD23 LEU A 89 0.421 -8.671 5.210 1.00 1.31 H new ATOM 1438 N HIS A 90 6.118 -9.762 6.338 1.00 0.55 N ATOM 1439 CA HIS A 90 7.350 -10.086 5.623 1.00 0.64 C ATOM 1440 C HIS A 90 7.102 -10.259 4.127 1.00 0.60 C ATOM 1441 O HIS A 90 7.820 -9.696 3.301 1.00 0.69 O ATOM 1442 CB HIS A 90 7.976 -11.360 6.195 1.00 0.81 C ATOM 1443 CG HIS A 90 8.187 -11.312 7.677 1.00 0.97 C ATOM 1444 ND1 HIS A 90 8.077 -12.423 8.490 1.00 1.62 N ATOM 1445 CD2 HIS A 90 8.505 -10.281 8.497 1.00 0.98 C ATOM 1446 CE1 HIS A 90 8.317 -12.075 9.742 1.00 1.84 C ATOM 1447 NE2 HIS A 90 8.579 -10.781 9.772 1.00 1.38 N ATOM 0 H HIS A 90 5.916 -10.379 7.125 1.00 0.55 H new ATOM 0 HA HIS A 90 8.038 -9.251 5.758 1.00 0.64 H new ATOM 0 HB2 HIS A 90 7.336 -12.209 5.955 1.00 0.81 H new ATOM 0 HB3 HIS A 90 8.934 -11.535 5.706 1.00 0.81 H new ATOM 0 HD2 HIS A 90 8.670 -9.255 8.201 1.00 0.98 H new ATOM 0 HE1 HIS A 90 8.302 -12.736 10.596 1.00 1.84 H new ATOM 0 HE2 HIS A 90 8.801 -10.241 10.608 1.00 1.38 H new ATOM 1456 N ASN A 91 6.083 -11.042 3.785 1.00 0.54 N ATOM 1457 CA ASN A 91 5.749 -11.297 2.387 1.00 0.55 C ATOM 1458 C ASN A 91 5.419 -10.003 1.649 1.00 0.46 C ATOM 1459 O ASN A 91 6.030 -9.689 0.628 1.00 0.45 O ATOM 1460 CB ASN A 91 4.570 -12.267 2.293 1.00 0.63 C ATOM 1461 CG ASN A 91 5.020 -13.713 2.197 1.00 1.13 C ATOM 1462 OD1 ASN A 91 6.126 -14.060 2.613 1.00 1.98 O ATOM 1463 ND2 ASN A 91 4.163 -14.563 1.644 1.00 1.60 N ATOM 0 H ASN A 91 5.474 -11.511 4.456 1.00 0.54 H new ATOM 0 HA ASN A 91 6.622 -11.744 1.912 1.00 0.55 H new ATOM 0 HB2 ASN A 91 3.931 -12.145 3.168 1.00 0.63 H new ATOM 0 HB3 ASN A 91 3.966 -12.018 1.420 1.00 0.63 H new ATOM 0 HD21 ASN A 91 4.411 -15.548 1.550 1.00 1.60 H new ATOM 0 HD22 ASN A 91 3.257 -14.231 1.313 1.00 1.60 H new ATOM 1470 N ALA A 92 4.449 -9.257 2.170 1.00 0.42 N ATOM 1471 CA ALA A 92 4.036 -7.997 1.558 1.00 0.39 C ATOM 1472 C ALA A 92 5.225 -7.061 1.354 1.00 0.36 C ATOM 1473 O ALA A 92 5.307 -6.356 0.349 1.00 0.38 O ATOM 1474 CB ALA A 92 2.972 -7.322 2.412 1.00 0.41 C ATOM 0 H ALA A 92 3.934 -9.503 3.015 1.00 0.42 H new ATOM 0 HA ALA A 92 3.616 -8.221 0.577 1.00 0.39 H new ATOM 0 HB1 ALA A 92 2.672 -6.384 1.945 1.00 0.41 H new ATOM 0 HB2 ALA A 92 2.105 -7.977 2.499 1.00 0.41 H new ATOM 0 HB3 ALA A 92 3.376 -7.121 3.404 1.00 0.41 H new ATOM 1480 N MET A 93 6.141 -7.060 2.317 1.00 0.39 N ATOM 1481 CA MET A 93 7.325 -6.209 2.251 1.00 0.43 C ATOM 1482 C MET A 93 8.171 -6.524 1.019 1.00 0.40 C ATOM 1483 O MET A 93 8.328 -5.684 0.131 1.00 0.39 O ATOM 1484 CB MET A 93 8.167 -6.376 3.518 1.00 0.55 C ATOM 1485 CG MET A 93 8.064 -5.199 4.474 1.00 0.71 C ATOM 1486 SD MET A 93 8.800 -5.545 6.084 1.00 1.06 S ATOM 1487 CE MET A 93 7.360 -6.065 7.013 1.00 1.29 C ATOM 0 H MET A 93 6.086 -7.640 3.154 1.00 0.39 H new ATOM 0 HA MET A 93 6.988 -5.175 2.175 1.00 0.43 H new ATOM 0 HB2 MET A 93 7.854 -7.283 4.036 1.00 0.55 H new ATOM 0 HB3 MET A 93 9.211 -6.514 3.236 1.00 0.55 H new ATOM 0 HG2 MET A 93 8.557 -4.333 4.032 1.00 0.71 H new ATOM 0 HG3 MET A 93 7.015 -4.935 4.608 1.00 0.71 H new ATOM 0 HE1 MET A 93 7.227 -5.410 7.874 1.00 1.29 H new ATOM 0 HE2 MET A 93 6.477 -6.011 6.376 1.00 1.29 H new ATOM 0 HE3 MET A 93 7.498 -7.091 7.355 1.00 1.29 H new ATOM 1497 N ARG A 94 8.716 -7.738 0.973 1.00 0.44 N ATOM 1498 CA ARG A 94 9.558 -8.164 -0.144 1.00 0.45 C ATOM 1499 C ARG A 94 8.815 -8.078 -1.475 1.00 0.44 C ATOM 1500 O ARG A 94 9.433 -8.076 -2.540 1.00 0.49 O ATOM 1501 CB ARG A 94 10.057 -9.592 0.083 1.00 0.55 C ATOM 1502 CG ARG A 94 8.949 -10.634 0.091 1.00 1.28 C ATOM 1503 CD ARG A 94 9.509 -12.044 -0.006 1.00 1.44 C ATOM 1504 NE ARG A 94 10.496 -12.171 -1.076 1.00 1.97 N ATOM 1505 CZ ARG A 94 10.767 -13.313 -1.700 1.00 2.47 C ATOM 1506 NH1 ARG A 94 10.129 -14.425 -1.363 1.00 2.58 N ATOM 1507 NH2 ARG A 94 11.679 -13.343 -2.662 1.00 3.39 N ATOM 0 H ARG A 94 8.590 -8.445 1.697 1.00 0.44 H new ATOM 0 HA ARG A 94 10.410 -7.486 -0.191 1.00 0.45 H new ATOM 0 HB2 ARG A 94 10.775 -9.845 -0.697 1.00 0.55 H new ATOM 0 HB3 ARG A 94 10.590 -9.634 1.033 1.00 0.55 H new ATOM 0 HG2 ARG A 94 8.363 -10.536 1.005 1.00 1.28 H new ATOM 0 HG3 ARG A 94 8.271 -10.452 -0.743 1.00 1.28 H new ATOM 0 HD2 ARG A 94 9.968 -12.318 0.944 1.00 1.44 H new ATOM 0 HD3 ARG A 94 8.694 -12.746 -0.180 1.00 1.44 H new ATOM 0 HE ARG A 94 11.007 -11.335 -1.361 1.00 1.97 H new ATOM 0 HH11 ARG A 94 9.428 -14.406 -0.623 1.00 2.58 H new ATOM 0 HH12 ARG A 94 10.340 -15.299 -1.844 1.00 2.58 H new ATOM 0 HH21 ARG A 94 12.173 -12.490 -2.923 1.00 3.39 H new ATOM 0 HH22 ARG A 94 11.887 -14.219 -3.141 1.00 3.39 H new ATOM 1521 N LEU A 95 7.489 -8.010 -1.412 1.00 0.44 N ATOM 1522 CA LEU A 95 6.671 -7.932 -2.618 1.00 0.47 C ATOM 1523 C LEU A 95 6.858 -6.592 -3.327 1.00 0.46 C ATOM 1524 O LEU A 95 6.776 -6.516 -4.554 1.00 0.52 O ATOM 1525 CB LEU A 95 5.195 -8.139 -2.273 1.00 0.53 C ATOM 1526 CG LEU A 95 4.531 -9.333 -2.959 1.00 0.55 C ATOM 1527 CD1 LEU A 95 3.732 -10.147 -1.956 1.00 0.79 C ATOM 1528 CD2 LEU A 95 3.637 -8.863 -4.096 1.00 0.67 C ATOM 0 H LEU A 95 6.959 -8.007 -0.541 1.00 0.44 H new ATOM 0 HA LEU A 95 6.995 -8.724 -3.294 1.00 0.47 H new ATOM 0 HB2 LEU A 95 5.104 -8.263 -1.194 1.00 0.53 H new ATOM 0 HB3 LEU A 95 4.646 -7.236 -2.538 1.00 0.53 H new ATOM 0 HG LEU A 95 5.312 -9.970 -3.374 1.00 0.55 H new ATOM 0 HD11 LEU A 95 3.266 -10.993 -2.462 1.00 0.79 H new ATOM 0 HD12 LEU A 95 4.396 -10.513 -1.173 1.00 0.79 H new ATOM 0 HD13 LEU A 95 2.959 -9.520 -1.512 1.00 0.79 H new ATOM 0 HD21 LEU A 95 3.172 -9.725 -4.574 1.00 0.67 H new ATOM 0 HD22 LEU A 95 2.862 -8.205 -3.702 1.00 0.67 H new ATOM 0 HD23 LEU A 95 4.235 -8.321 -4.829 1.00 0.67 H new ATOM 1540 N ILE A 96 7.109 -5.541 -2.552 1.00 0.43 N ATOM 1541 CA ILE A 96 7.301 -4.208 -3.115 1.00 0.50 C ATOM 1542 C ILE A 96 8.600 -3.576 -2.622 1.00 0.61 C ATOM 1543 O ILE A 96 8.688 -2.358 -2.465 1.00 1.29 O ATOM 1544 CB ILE A 96 6.124 -3.278 -2.765 1.00 0.58 C ATOM 1545 CG1 ILE A 96 5.847 -3.305 -1.259 1.00 0.52 C ATOM 1546 CG2 ILE A 96 4.882 -3.679 -3.546 1.00 0.76 C ATOM 1547 CD1 ILE A 96 6.184 -2.008 -0.557 1.00 0.48 C ATOM 0 H ILE A 96 7.184 -5.586 -1.536 1.00 0.43 H new ATOM 0 HA ILE A 96 7.353 -4.329 -4.197 1.00 0.50 H new ATOM 0 HB ILE A 96 6.393 -2.259 -3.044 1.00 0.58 H new ATOM 0 HG12 ILE A 96 4.794 -3.533 -1.096 1.00 0.52 H new ATOM 0 HG13 ILE A 96 6.422 -4.113 -0.807 1.00 0.52 H new ATOM 0 HG21 ILE A 96 4.059 -3.013 -3.288 1.00 0.76 H new ATOM 0 HG22 ILE A 96 5.085 -3.608 -4.614 1.00 0.76 H new ATOM 0 HG23 ILE A 96 4.610 -4.705 -3.296 1.00 0.76 H new ATOM 0 HD11 ILE A 96 5.962 -2.101 0.506 1.00 0.48 H new ATOM 0 HD12 ILE A 96 7.243 -1.788 -0.689 1.00 0.48 H new ATOM 0 HD13 ILE A 96 5.590 -1.199 -0.982 1.00 0.48 H new ATOM 1559 N LYS A 97 9.607 -4.409 -2.381 1.00 0.66 N ATOM 1560 CA LYS A 97 10.900 -3.927 -1.909 1.00 0.66 C ATOM 1561 C LYS A 97 11.593 -3.087 -2.978 1.00 0.82 C ATOM 1562 O LYS A 97 12.028 -1.967 -2.716 1.00 1.43 O ATOM 1563 CB LYS A 97 11.791 -5.103 -1.511 1.00 0.74 C ATOM 1564 CG LYS A 97 11.930 -5.278 -0.009 1.00 1.33 C ATOM 1565 CD LYS A 97 13.367 -5.577 0.387 1.00 1.77 C ATOM 1566 CE LYS A 97 13.456 -6.809 1.272 1.00 2.29 C ATOM 1567 NZ LYS A 97 13.948 -7.998 0.522 1.00 2.85 N ATOM 0 H LYS A 97 9.553 -5.420 -2.505 1.00 0.66 H new ATOM 0 HA LYS A 97 10.728 -3.298 -1.035 1.00 0.66 H new ATOM 0 HB2 LYS A 97 11.383 -6.019 -1.939 1.00 0.74 H new ATOM 0 HB3 LYS A 97 12.781 -4.962 -1.945 1.00 0.74 H new ATOM 0 HG2 LYS A 97 11.593 -4.373 0.496 1.00 1.33 H new ATOM 0 HG3 LYS A 97 11.283 -6.089 0.325 1.00 1.33 H new ATOM 0 HD2 LYS A 97 13.969 -5.727 -0.509 1.00 1.77 H new ATOM 0 HD3 LYS A 97 13.787 -4.719 0.912 1.00 1.77 H new ATOM 0 HE2 LYS A 97 14.123 -6.607 2.110 1.00 2.29 H new ATOM 0 HE3 LYS A 97 12.474 -7.026 1.692 1.00 2.29 H new ATOM 0 HZ1 LYS A 97 13.177 -8.688 0.421 1.00 2.85 H new ATOM 0 HZ2 LYS A 97 14.275 -7.703 -0.420 1.00 2.85 H new ATOM 0 HZ3 LYS A 97 14.737 -8.434 1.041 1.00 2.85 H new ATOM 1581 N ASP A 98 11.698 -3.637 -4.184 1.00 0.74 N ATOM 1582 CA ASP A 98 12.339 -2.938 -5.295 1.00 0.85 C ATOM 1583 C ASP A 98 11.512 -1.740 -5.766 1.00 0.73 C ATOM 1584 O ASP A 98 11.771 -1.185 -6.833 1.00 0.84 O ATOM 1585 CB ASP A 98 12.565 -3.902 -6.462 1.00 1.04 C ATOM 1586 CG ASP A 98 13.884 -3.653 -7.166 1.00 1.30 C ATOM 1587 OD1 ASP A 98 13.929 -2.773 -8.051 1.00 1.64 O ATOM 1588 OD2 ASP A 98 14.873 -4.339 -6.833 1.00 1.63 O ATOM 0 H ASP A 98 11.347 -4.566 -4.418 1.00 0.74 H new ATOM 0 HA ASP A 98 13.298 -2.563 -4.938 1.00 0.85 H new ATOM 0 HB2 ASP A 98 12.540 -4.927 -6.093 1.00 1.04 H new ATOM 0 HB3 ASP A 98 11.749 -3.801 -7.177 1.00 1.04 H new ATOM 1593 N TYR A 99 10.520 -1.343 -4.972 1.00 0.60 N ATOM 1594 CA TYR A 99 9.664 -0.216 -5.328 1.00 0.64 C ATOM 1595 C TYR A 99 9.865 0.961 -4.374 1.00 0.78 C ATOM 1596 O TYR A 99 9.420 2.075 -4.651 1.00 1.08 O ATOM 1597 CB TYR A 99 8.196 -0.644 -5.325 1.00 0.63 C ATOM 1598 CG TYR A 99 7.853 -1.632 -6.418 1.00 0.65 C ATOM 1599 CD1 TYR A 99 8.253 -2.960 -6.332 1.00 0.75 C ATOM 1600 CD2 TYR A 99 7.128 -1.237 -7.536 1.00 0.74 C ATOM 1601 CE1 TYR A 99 7.943 -3.866 -7.327 1.00 0.92 C ATOM 1602 CE2 TYR A 99 6.812 -2.137 -8.536 1.00 0.84 C ATOM 1603 CZ TYR A 99 7.222 -3.450 -8.427 1.00 0.93 C ATOM 1604 OH TYR A 99 6.910 -4.349 -9.422 1.00 1.13 O ATOM 0 H TYR A 99 10.290 -1.784 -4.081 1.00 0.60 H new ATOM 0 HA TYR A 99 9.943 0.109 -6.330 1.00 0.64 H new ATOM 0 HB2 TYR A 99 7.957 -1.087 -4.358 1.00 0.63 H new ATOM 0 HB3 TYR A 99 7.568 0.240 -5.435 1.00 0.63 H new ATOM 0 HD1 TYR A 99 8.816 -3.289 -5.472 1.00 0.75 H new ATOM 0 HD2 TYR A 99 6.806 -0.210 -7.625 1.00 0.74 H new ATOM 0 HE1 TYR A 99 8.263 -4.894 -7.244 1.00 0.92 H new ATOM 0 HE2 TYR A 99 6.247 -1.814 -9.398 1.00 0.84 H new ATOM 0 HH TYR A 99 6.822 -5.246 -9.037 1.00 1.13 H new ATOM 1614 N VAL A 100 10.534 0.710 -3.253 1.00 0.68 N ATOM 1615 CA VAL A 100 10.786 1.757 -2.268 1.00 0.84 C ATOM 1616 C VAL A 100 12.183 2.347 -2.436 1.00 1.12 C ATOM 1617 O VAL A 100 12.867 2.075 -3.424 1.00 1.37 O ATOM 1618 CB VAL A 100 10.626 1.234 -0.827 1.00 0.72 C ATOM 1619 CG1 VAL A 100 9.165 0.936 -0.527 1.00 0.99 C ATOM 1620 CG2 VAL A 100 11.483 -0.002 -0.603 1.00 0.84 C ATOM 0 H VAL A 100 10.910 -0.205 -3.004 1.00 0.68 H new ATOM 0 HA VAL A 100 10.043 2.536 -2.442 1.00 0.84 H new ATOM 0 HB VAL A 100 10.966 2.011 -0.142 1.00 0.72 H new ATOM 0 HG11 VAL A 100 9.071 0.568 0.495 1.00 0.99 H new ATOM 0 HG12 VAL A 100 8.577 1.847 -0.640 1.00 0.99 H new ATOM 0 HG13 VAL A 100 8.798 0.179 -1.221 1.00 0.99 H new ATOM 0 HG21 VAL A 100 11.354 -0.354 0.421 1.00 0.84 H new ATOM 0 HG22 VAL A 100 11.179 -0.786 -1.297 1.00 0.84 H new ATOM 0 HG23 VAL A 100 12.531 0.246 -0.772 1.00 0.84 H new ATOM 1630 N SER A 101 12.599 3.160 -1.467 1.00 1.24 N ATOM 1631 CA SER A 101 13.913 3.796 -1.505 1.00 1.56 C ATOM 1632 C SER A 101 15.022 2.768 -1.701 1.00 1.20 C ATOM 1633 O SER A 101 14.845 1.584 -1.410 1.00 1.50 O ATOM 1634 CB SER A 101 14.157 4.583 -0.217 1.00 2.21 C ATOM 1635 OG SER A 101 13.750 5.933 -0.357 1.00 2.53 O ATOM 0 H SER A 101 12.043 3.394 -0.644 1.00 1.24 H new ATOM 0 HA SER A 101 13.928 4.479 -2.354 1.00 1.56 H new ATOM 0 HB2 SER A 101 13.611 4.119 0.605 1.00 2.21 H new ATOM 0 HB3 SER A 101 15.215 4.544 0.041 1.00 2.21 H new ATOM 0 HG SER A 101 13.915 6.413 0.481 1.00 2.53 H new ATOM 1641 N GLU A 102 16.167 3.230 -2.197 1.00 1.32 N ATOM 1642 CA GLU A 102 17.310 2.355 -2.432 1.00 1.81 C ATOM 1643 C GLU A 102 18.158 2.219 -1.170 1.00 1.95 C ATOM 1644 O GLU A 102 19.112 1.442 -1.132 1.00 2.25 O ATOM 1645 CB GLU A 102 18.167 2.898 -3.576 1.00 2.43 C ATOM 1646 CG GLU A 102 17.917 2.203 -4.905 1.00 3.30 C ATOM 1647 CD GLU A 102 16.784 2.836 -5.689 1.00 3.82 C ATOM 1648 OE1 GLU A 102 16.818 4.069 -5.889 1.00 4.26 O ATOM 1649 OE2 GLU A 102 15.864 2.100 -6.102 1.00 4.07 O ATOM 0 H GLU A 102 16.327 4.207 -2.444 1.00 1.32 H new ATOM 0 HA GLU A 102 16.932 1.370 -2.705 1.00 1.81 H new ATOM 0 HB2 GLU A 102 17.972 3.964 -3.691 1.00 2.43 H new ATOM 0 HB3 GLU A 102 19.219 2.793 -3.312 1.00 2.43 H new ATOM 0 HG2 GLU A 102 18.828 2.231 -5.503 1.00 3.30 H new ATOM 0 HG3 GLU A 102 17.687 1.153 -4.724 1.00 3.30 H new ATOM 1656 N ASP A 103 17.803 2.983 -0.141 1.00 1.90 N ATOM 1657 CA ASP A 103 18.531 2.949 1.122 1.00 2.17 C ATOM 1658 C ASP A 103 18.361 1.600 1.812 1.00 1.97 C ATOM 1659 O ASP A 103 19.162 1.225 2.667 1.00 2.18 O ATOM 1660 CB ASP A 103 18.047 4.071 2.044 1.00 2.39 C ATOM 1661 CG ASP A 103 18.670 5.409 1.702 1.00 2.79 C ATOM 1662 OD1 ASP A 103 19.883 5.442 1.406 1.00 3.15 O ATOM 1663 OD2 ASP A 103 17.945 6.426 1.728 1.00 3.12 O ATOM 0 H ASP A 103 17.016 3.632 -0.158 1.00 1.90 H new ATOM 0 HA ASP A 103 19.589 3.096 0.907 1.00 2.17 H new ATOM 0 HB2 ASP A 103 16.962 4.151 1.976 1.00 2.39 H new ATOM 0 HB3 ASP A 103 18.284 3.816 3.077 1.00 2.39 H new ATOM 1668 N LEU A 104 17.313 0.874 1.433 1.00 1.66 N ATOM 1669 CA LEU A 104 17.043 -0.436 2.015 1.00 1.57 C ATOM 1670 C LEU A 104 17.845 -1.519 1.306 1.00 1.70 C ATOM 1671 O LEU A 104 18.088 -2.588 1.865 1.00 1.91 O ATOM 1672 CB LEU A 104 15.549 -0.758 1.941 1.00 1.43 C ATOM 1673 CG LEU A 104 14.632 0.254 2.629 1.00 1.27 C ATOM 1674 CD1 LEU A 104 14.029 1.208 1.610 1.00 1.68 C ATOM 1675 CD2 LEU A 104 13.537 -0.460 3.407 1.00 1.73 C ATOM 0 H LEU A 104 16.639 1.170 0.727 1.00 1.66 H new ATOM 0 HA LEU A 104 17.346 -0.409 3.062 1.00 1.57 H new ATOM 0 HB2 LEU A 104 15.261 -0.832 0.892 1.00 1.43 H new ATOM 0 HB3 LEU A 104 15.382 -1.738 2.387 1.00 1.43 H new ATOM 0 HG LEU A 104 15.229 0.836 3.332 1.00 1.27 H new ATOM 0 HD11 LEU A 104 13.380 1.921 2.118 1.00 1.68 H new ATOM 0 HD12 LEU A 104 14.827 1.746 1.098 1.00 1.68 H new ATOM 0 HD13 LEU A 104 13.447 0.643 0.882 1.00 1.68 H new ATOM 0 HD21 LEU A 104 12.894 0.276 3.890 1.00 1.73 H new ATOM 0 HD22 LEU A 104 12.943 -1.068 2.725 1.00 1.73 H new ATOM 0 HD23 LEU A 104 13.988 -1.101 4.165 1.00 1.73 H new ATOM 1687 N HIS A 105 18.253 -1.239 0.070 1.00 1.83 N ATOM 1688 CA HIS A 105 19.033 -2.193 -0.711 1.00 2.15 C ATOM 1689 C HIS A 105 20.409 -2.401 -0.084 1.00 2.44 C ATOM 1690 O HIS A 105 21.389 -1.775 -0.487 1.00 2.79 O ATOM 1691 CB HIS A 105 19.181 -1.705 -2.154 1.00 2.42 C ATOM 1692 CG HIS A 105 18.270 -2.402 -3.118 1.00 2.36 C ATOM 1693 ND1 HIS A 105 18.721 -3.026 -4.263 1.00 2.91 N ATOM 1694 CD2 HIS A 105 16.925 -2.574 -3.103 1.00 2.29 C ATOM 1695 CE1 HIS A 105 17.695 -3.550 -4.910 1.00 3.15 C ATOM 1696 NE2 HIS A 105 16.596 -3.290 -4.227 1.00 2.81 N ATOM 0 H HIS A 105 18.056 -0.361 -0.410 1.00 1.83 H new ATOM 0 HA HIS A 105 18.505 -3.146 -0.715 1.00 2.15 H new ATOM 0 HB2 HIS A 105 18.983 -0.634 -2.189 1.00 2.42 H new ATOM 0 HB3 HIS A 105 20.213 -1.849 -2.473 1.00 2.42 H new ATOM 0 HD2 HIS A 105 16.241 -2.215 -2.348 1.00 2.29 H new ATOM 0 HE1 HIS A 105 17.747 -4.098 -5.839 1.00 3.15 H new ATOM 0 HE2 HIS A 105 15.653 -3.575 -4.492 1.00 2.81 H new ATOM 1705 N LYS A 106 20.471 -3.288 0.905 1.00 2.38 N ATOM 1706 CA LYS A 106 21.721 -3.581 1.598 1.00 2.72 C ATOM 1707 C LYS A 106 21.606 -4.875 2.399 1.00 2.73 C ATOM 1708 O LYS A 106 22.530 -5.688 2.421 1.00 3.11 O ATOM 1709 CB LYS A 106 22.092 -2.425 2.529 1.00 2.83 C ATOM 1710 CG LYS A 106 20.914 -1.871 3.317 1.00 2.56 C ATOM 1711 CD LYS A 106 21.061 -2.142 4.806 1.00 2.86 C ATOM 1712 CE LYS A 106 21.328 -0.862 5.582 1.00 3.00 C ATOM 1713 NZ LYS A 106 20.293 -0.618 6.624 1.00 3.43 N ATOM 0 H LYS A 106 19.668 -3.817 1.245 1.00 2.38 H new ATOM 0 HA LYS A 106 22.504 -3.704 0.850 1.00 2.72 H new ATOM 0 HB2 LYS A 106 22.857 -2.764 3.227 1.00 2.83 H new ATOM 0 HB3 LYS A 106 22.532 -1.622 1.938 1.00 2.83 H new ATOM 0 HG2 LYS A 106 20.835 -0.797 3.148 1.00 2.56 H new ATOM 0 HG3 LYS A 106 19.989 -2.320 2.954 1.00 2.56 H new ATOM 0 HD2 LYS A 106 20.153 -2.614 5.182 1.00 2.86 H new ATOM 0 HD3 LYS A 106 21.878 -2.845 4.970 1.00 2.86 H new ATOM 0 HE2 LYS A 106 22.310 -0.921 6.052 1.00 3.00 H new ATOM 0 HE3 LYS A 106 21.355 -0.018 4.892 1.00 3.00 H new ATOM 0 HZ1 LYS A 106 20.511 0.264 7.130 1.00 3.43 H new ATOM 0 HZ2 LYS A 106 19.359 -0.536 6.173 1.00 3.43 H new ATOM 0 HZ3 LYS A 106 20.285 -1.411 7.297 1.00 3.43 H new ATOM 1727 N TYR A 107 20.464 -5.056 3.055 1.00 2.40 N ATOM 1728 CA TYR A 107 20.220 -6.246 3.861 1.00 2.46 C ATOM 1729 C TYR A 107 19.564 -7.333 3.022 1.00 2.35 C ATOM 1730 O TYR A 107 19.520 -8.498 3.417 1.00 2.42 O ATOM 1731 CB TYR A 107 19.332 -5.904 5.060 1.00 2.46 C ATOM 1732 CG TYR A 107 17.920 -5.517 4.678 1.00 2.20 C ATOM 1733 CD1 TYR A 107 16.920 -6.475 4.572 1.00 2.20 C ATOM 1734 CD2 TYR A 107 17.589 -4.193 4.418 1.00 2.03 C ATOM 1735 CE1 TYR A 107 15.631 -6.127 4.219 1.00 2.07 C ATOM 1736 CE2 TYR A 107 16.302 -3.836 4.064 1.00 1.88 C ATOM 1737 CZ TYR A 107 15.327 -4.806 3.966 1.00 1.92 C ATOM 1738 OH TYR A 107 14.044 -4.453 3.614 1.00 1.91 O ATOM 0 H TYR A 107 19.691 -4.391 3.044 1.00 2.40 H new ATOM 0 HA TYR A 107 21.178 -6.616 4.226 1.00 2.46 H new ATOM 0 HB2 TYR A 107 19.296 -6.762 5.731 1.00 2.46 H new ATOM 0 HB3 TYR A 107 19.787 -5.084 5.616 1.00 2.46 H new ATOM 0 HD1 TYR A 107 17.155 -7.511 4.769 1.00 2.20 H new ATOM 0 HD2 TYR A 107 18.350 -3.430 4.494 1.00 2.03 H new ATOM 0 HE1 TYR A 107 14.866 -6.885 4.142 1.00 2.07 H new ATOM 0 HE2 TYR A 107 16.061 -2.802 3.865 1.00 1.88 H new ATOM 0 HH TYR A 107 13.999 -3.484 3.472 1.00 1.91 H new ATOM 1748 N ILE A 108 19.050 -6.934 1.863 1.00 2.27 N ATOM 1749 CA ILE A 108 18.384 -7.856 0.954 1.00 2.27 C ATOM 1750 C ILE A 108 19.263 -9.080 0.676 1.00 2.49 C ATOM 1751 O ILE A 108 20.365 -8.948 0.142 1.00 2.67 O ATOM 1752 CB ILE A 108 18.032 -7.156 -0.377 1.00 2.29 C ATOM 1753 CG1 ILE A 108 16.732 -6.362 -0.229 1.00 2.08 C ATOM 1754 CG2 ILE A 108 17.909 -8.164 -1.508 1.00 2.59 C ATOM 1755 CD1 ILE A 108 16.928 -4.981 0.358 1.00 1.86 C ATOM 0 H ILE A 108 19.083 -5.970 1.531 1.00 2.27 H new ATOM 0 HA ILE A 108 17.463 -8.186 1.434 1.00 2.27 H new ATOM 0 HB ILE A 108 18.841 -6.468 -0.624 1.00 2.29 H new ATOM 0 HG12 ILE A 108 16.260 -6.268 -1.207 1.00 2.08 H new ATOM 0 HG13 ILE A 108 16.044 -6.922 0.404 1.00 2.08 H new ATOM 0 HG21 ILE A 108 17.661 -7.644 -2.433 1.00 2.59 H new ATOM 0 HG22 ILE A 108 18.855 -8.691 -1.630 1.00 2.59 H new ATOM 0 HG23 ILE A 108 17.123 -8.881 -1.272 1.00 2.59 H new ATOM 0 HD11 ILE A 108 15.964 -4.477 0.433 1.00 1.86 H new ATOM 0 HD12 ILE A 108 17.371 -5.067 1.350 1.00 1.86 H new ATOM 0 HD13 ILE A 108 17.590 -4.403 -0.286 1.00 1.86 H new ATOM 1767 N PRO A 109 18.790 -10.290 1.038 1.00 2.54 N ATOM 1768 CA PRO A 109 19.546 -11.528 0.820 1.00 2.77 C ATOM 1769 C PRO A 109 19.799 -11.795 -0.661 1.00 3.02 C ATOM 1770 O PRO A 109 18.972 -11.463 -1.511 1.00 3.11 O ATOM 1771 CB PRO A 109 18.646 -12.623 1.410 1.00 2.80 C ATOM 1772 CG PRO A 109 17.689 -11.904 2.301 1.00 2.70 C ATOM 1773 CD PRO A 109 17.491 -10.551 1.684 1.00 2.48 C ATOM 0 HA PRO A 109 20.532 -11.481 1.281 1.00 2.77 H new ATOM 0 HB2 PRO A 109 18.121 -13.167 0.625 1.00 2.80 H new ATOM 0 HB3 PRO A 109 19.230 -13.355 1.968 1.00 2.80 H new ATOM 0 HG2 PRO A 109 16.744 -12.442 2.374 1.00 2.70 H new ATOM 0 HG3 PRO A 109 18.086 -11.818 3.312 1.00 2.70 H new ATOM 0 HD2 PRO A 109 16.674 -10.552 0.962 1.00 2.48 H new ATOM 0 HD3 PRO A 109 17.254 -9.796 2.434 1.00 2.48 H new ATOM 1781 N ARG A 110 20.948 -12.392 -0.960 1.00 3.26 N ATOM 1782 CA ARG A 110 21.313 -12.703 -2.338 1.00 3.61 C ATOM 1783 C ARG A 110 22.361 -13.810 -2.386 1.00 3.87 C ATOM 1784 O ARG A 110 22.046 -14.902 -2.906 1.00 4.38 O ATOM 1785 CB ARG A 110 21.842 -11.453 -3.041 1.00 4.21 C ATOM 1786 CG ARG A 110 20.841 -10.820 -3.996 1.00 4.62 C ATOM 1787 CD ARG A 110 21.364 -10.809 -5.423 1.00 5.34 C ATOM 1788 NE ARG A 110 21.616 -12.158 -5.924 1.00 5.83 N ATOM 1789 CZ ARG A 110 22.803 -12.575 -6.357 1.00 6.55 C ATOM 1790 NH1 ARG A 110 23.841 -11.749 -6.355 1.00 6.84 N ATOM 1791 NH2 ARG A 110 22.952 -13.819 -6.794 1.00 7.27 N ATOM 1792 OXT ARG A 110 23.490 -13.575 -1.907 1.00 4.05 O ATOM 0 H ARG A 110 21.643 -12.670 -0.267 1.00 3.26 H new ATOM 0 HA ARG A 110 20.419 -13.051 -2.855 1.00 3.61 H new ATOM 0 HB2 ARG A 110 22.129 -10.718 -2.289 1.00 4.21 H new ATOM 0 HB3 ARG A 110 22.745 -11.712 -3.594 1.00 4.21 H new ATOM 0 HG2 ARG A 110 19.901 -11.370 -3.956 1.00 4.62 H new ATOM 0 HG3 ARG A 110 20.628 -9.800 -3.678 1.00 4.62 H new ATOM 0 HD2 ARG A 110 20.642 -10.311 -6.070 1.00 5.34 H new ATOM 0 HD3 ARG A 110 22.285 -10.228 -5.467 1.00 5.34 H new ATOM 0 HE ARG A 110 20.838 -12.817 -5.943 1.00 5.83 H new ATOM 0 HH11 ARG A 110 23.730 -10.792 -6.021 1.00 6.84 H new ATOM 0 HH12 ARG A 110 24.750 -12.071 -6.687 1.00 6.84 H new ATOM 0 HH21 ARG A 110 22.156 -14.457 -6.798 1.00 7.27 H new ATOM 0 HH22 ARG A 110 23.862 -14.137 -7.126 1.00 7.27 H new TER 1806 ARG A 110