USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 880 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 Single : A 1 GLY N :NH3+ -140:sc= -0.0214 (180deg=-0.601) USER MOD Single : A 4 SER OG : rot 180:sc= -0.692 USER MOD Single : A 5 MET CE :methyl -152:sc= -0.0293 (180deg=-0.828) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.127 F(o=-0.72,f=-0.13) USER MOD Single : A 11 CYS SG : rot -99:sc= 0.0271 USER MOD Single : A 15 MET CE :methyl -159:sc= -0.172 (180deg=-0.672) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc=-0.00236 (180deg=-0.141) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0605 K(o=-0.061,f=-1.5!) USER MOD Single : A 34 ASN : amide:sc= 0.242 K(o=0.24,f=-3!) USER MOD Single : A 36 THR OG1 : rot 62:sc= 1.22 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -39:sc=0.000212 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -115:sc= 0.538 USER MOD Single : A 64 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 158:sc= -0.0683 (180deg=-0.379) USER MOD Single : A 72 THR OG1 : rot 17:sc= -0.0909 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0959) USER MOD Single : A 83 ASN : amide:sc= -0.0574 X(o=-0.057,f=-0.36) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0918 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -129:sc= -2.73! (180deg=-5.78!) USER MOD Single : A 91 ASN : amide:sc= -0.0657 X(o=-0.066,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.12) USER MOD Single : A 101 ASN : amide:sc=-0.00308 X(o=-0.0031,f=-0.32) USER MOD Single : A 104 ASN : amide:sc= -0.0512 K(o=-0.051,f=-2!) USER MOD Single : A 105 ASN : amide:sc=-0.00356 X(o=-0.0036,f=-0.13) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -149:sc= 0.125 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.506 -21.586 -3.270 1.00 70.24 N ATOM 2 CA GLY A 1 10.464 -20.898 -4.011 1.00 4.35 C ATOM 3 C GLY A 1 10.647 -19.393 -4.006 1.00 64.24 C ATOM 4 O GLY A 1 9.940 -18.662 -3.313 1.00 73.44 O ATOM 0 H1 GLY A 1 11.781 -22.450 -3.779 1.00 70.24 H new ATOM 0 H2 GLY A 1 12.333 -20.963 -3.174 1.00 70.24 H new ATOM 0 H3 GLY A 1 11.151 -21.838 -2.325 1.00 70.24 H new ATOM 0 HA2 GLY A 1 10.457 -21.257 -5.040 1.00 4.35 H new ATOM 0 HA3 GLY A 1 9.493 -21.144 -3.581 1.00 4.35 H new ATOM 8 N PRO A 2 11.619 -18.909 -4.794 1.00 12.33 N ATOM 9 CA PRO A 2 11.917 -17.477 -4.895 1.00 21.45 C ATOM 10 C PRO A 2 10.815 -16.706 -5.613 1.00 1.24 C ATOM 11 O PRO A 2 10.329 -17.130 -6.660 1.00 13.52 O ATOM 12 CB PRO A 2 13.213 -17.441 -5.708 1.00 52.53 C ATOM 13 CG PRO A 2 13.196 -18.700 -6.503 1.00 62.15 C ATOM 14 CD PRO A 2 12.502 -19.723 -5.647 1.00 15.22 C ATOM 0 HA PRO A 2 12.000 -17.007 -3.915 1.00 21.45 H new ATOM 0 HB2 PRO A 2 13.250 -16.565 -6.355 1.00 52.53 H new ATOM 0 HB3 PRO A 2 14.087 -17.395 -5.058 1.00 52.53 H new ATOM 0 HG2 PRO A 2 12.669 -18.558 -7.446 1.00 62.15 H new ATOM 0 HG3 PRO A 2 14.209 -19.020 -6.749 1.00 62.15 H new ATOM 0 HD2 PRO A 2 11.936 -20.434 -6.249 1.00 15.22 H new ATOM 0 HD3 PRO A 2 13.212 -20.301 -5.055 1.00 15.22 H new ATOM 22 N GLY A 3 10.427 -15.569 -5.042 1.00 70.34 N ATOM 23 CA GLY A 3 9.385 -14.756 -5.643 1.00 43.21 C ATOM 24 C GLY A 3 9.073 -13.517 -4.826 1.00 65.14 C ATOM 25 O GLY A 3 9.266 -12.394 -5.291 1.00 70.22 O ATOM 0 H GLY A 3 10.815 -15.197 -4.175 1.00 70.34 H new ATOM 0 HA2 GLY A 3 9.693 -14.459 -6.645 1.00 43.21 H new ATOM 0 HA3 GLY A 3 8.480 -15.353 -5.752 1.00 43.21 H new ATOM 29 N SER A 4 8.589 -13.723 -3.605 1.00 11.31 N ATOM 30 CA SER A 4 8.244 -12.613 -2.724 1.00 14.32 C ATOM 31 C SER A 4 7.144 -11.752 -3.338 1.00 64.12 C ATOM 32 O SER A 4 6.809 -11.899 -4.513 1.00 64.42 O ATOM 33 CB SER A 4 9.479 -11.757 -2.440 1.00 31.12 C ATOM 34 OG SER A 4 10.103 -12.147 -1.229 1.00 72.31 O ATOM 0 H SER A 4 8.427 -14.647 -3.204 1.00 11.31 H new ATOM 0 HA SER A 4 7.875 -13.028 -1.786 1.00 14.32 H new ATOM 0 HB2 SER A 4 10.187 -11.850 -3.264 1.00 31.12 H new ATOM 0 HB3 SER A 4 9.192 -10.707 -2.383 1.00 31.12 H new ATOM 0 HG SER A 4 10.891 -11.586 -1.071 1.00 72.31 H new ATOM 40 N MET A 5 6.588 -10.852 -2.535 1.00 54.40 N ATOM 41 CA MET A 5 5.526 -9.965 -3.000 1.00 23.30 C ATOM 42 C MET A 5 5.992 -8.513 -2.998 1.00 44.24 C ATOM 43 O MET A 5 6.849 -8.127 -2.204 1.00 22.21 O ATOM 44 CB MET A 5 4.284 -10.116 -2.120 1.00 4.15 C ATOM 45 CG MET A 5 3.020 -9.557 -2.751 1.00 32.31 C ATOM 46 SD MET A 5 2.578 -7.935 -2.102 1.00 12.14 S ATOM 47 CE MET A 5 2.047 -8.366 -0.446 1.00 24.03 C ATOM 0 H MET A 5 6.854 -10.717 -1.560 1.00 54.40 H new ATOM 0 HA MET A 5 5.273 -10.246 -4.022 1.00 23.30 H new ATOM 0 HB2 MET A 5 4.133 -11.172 -1.898 1.00 4.15 H new ATOM 0 HB3 MET A 5 4.459 -9.612 -1.169 1.00 4.15 H new ATOM 0 HG2 MET A 5 3.158 -9.487 -3.830 1.00 32.31 H new ATOM 0 HG3 MET A 5 2.196 -10.250 -2.579 1.00 32.31 H new ATOM 0 HE1 MET A 5 1.313 -7.639 -0.098 1.00 24.03 H new ATOM 0 HE2 MET A 5 1.598 -9.359 -0.455 1.00 24.03 H new ATOM 0 HE3 MET A 5 2.907 -8.362 0.224 1.00 24.03 H new ATOM 57 N ASN A 6 5.422 -7.712 -3.893 1.00 34.43 N ATOM 58 CA ASN A 6 5.780 -6.302 -3.995 1.00 34.15 C ATOM 59 C ASN A 6 4.564 -5.414 -3.746 1.00 44.31 C ATOM 60 O ASN A 6 3.627 -5.392 -4.543 1.00 74.20 O ATOM 61 CB ASN A 6 6.372 -6.003 -5.373 1.00 54.44 C ATOM 62 CG ASN A 6 7.888 -5.971 -5.356 1.00 54.42 C ATOM 63 OD1 ASN A 6 8.451 -5.039 -4.595 1.00 1.42 O flip ATOM 64 ND2 ASN A 6 8.544 -6.773 -6.020 1.00 50.24 N flip ATOM 0 H ASN A 6 4.710 -8.016 -4.558 1.00 34.43 H new ATOM 0 HA ASN A 6 6.528 -6.086 -3.232 1.00 34.15 H new ATOM 0 HB2 ASN A 6 6.035 -6.759 -6.082 1.00 54.44 H new ATOM 0 HB3 ASN A 6 5.995 -5.044 -5.727 1.00 54.44 H new ATOM 0 HD21 ASN A 6 8.068 -7.472 -6.590 1.00 50.24 H new ATOM 0 HD22 ASN A 6 9.563 -6.739 -6.000 1.00 50.24 H new ATOM 71 N ILE A 7 4.590 -4.682 -2.637 1.00 62.03 N ATOM 72 CA ILE A 7 3.492 -3.790 -2.286 1.00 25.35 C ATOM 73 C ILE A 7 3.723 -2.389 -2.840 1.00 2.53 C ATOM 74 O ILE A 7 4.844 -1.878 -2.819 1.00 2.32 O ATOM 75 CB ILE A 7 3.304 -3.703 -0.760 1.00 12.41 C ATOM 76 CG1 ILE A 7 3.087 -5.099 -0.170 1.00 45.44 C ATOM 77 CG2 ILE A 7 2.134 -2.791 -0.422 1.00 30.55 C ATOM 78 CD1 ILE A 7 3.029 -5.113 1.341 1.00 10.32 C ATOM 0 H ILE A 7 5.359 -4.689 -1.967 1.00 62.03 H new ATOM 0 HA ILE A 7 2.590 -4.209 -2.732 1.00 25.35 H new ATOM 0 HB ILE A 7 4.208 -3.280 -0.321 1.00 12.41 H new ATOM 0 HG12 ILE A 7 2.159 -5.511 -0.565 1.00 45.44 H new ATOM 0 HG13 ILE A 7 3.893 -5.754 -0.501 1.00 45.44 H new ATOM 0 HG21 ILE A 7 2.014 -2.740 0.660 1.00 30.55 H new ATOM 0 HG22 ILE A 7 2.326 -1.792 -0.814 1.00 30.55 H new ATOM 0 HG23 ILE A 7 1.223 -3.187 -0.870 1.00 30.55 H new ATOM 0 HD11 ILE A 7 2.873 -6.134 1.690 1.00 10.32 H new ATOM 0 HD12 ILE A 7 3.967 -4.731 1.745 1.00 10.32 H new ATOM 0 HD13 ILE A 7 2.205 -4.485 1.679 1.00 10.32 H new ATOM 90 N LEU A 8 2.656 -1.770 -3.333 1.00 3.33 N ATOM 91 CA LEU A 8 2.742 -0.424 -3.890 1.00 30.52 C ATOM 92 C LEU A 8 2.164 0.604 -2.923 1.00 10.34 C ATOM 93 O LEU A 8 1.086 0.407 -2.361 1.00 62.40 O ATOM 94 CB LEU A 8 2.001 -0.356 -5.227 1.00 32.51 C ATOM 95 CG LEU A 8 2.112 0.964 -5.990 1.00 33.53 C ATOM 96 CD1 LEU A 8 1.140 1.989 -5.427 1.00 73.41 C ATOM 97 CD2 LEU A 8 3.538 1.493 -5.936 1.00 35.01 C ATOM 0 H LEU A 8 1.722 -2.178 -3.359 1.00 3.33 H new ATOM 0 HA LEU A 8 3.794 -0.191 -4.052 1.00 30.52 H new ATOM 0 HB2 LEU A 8 2.374 -1.155 -5.867 1.00 32.51 H new ATOM 0 HB3 LEU A 8 0.946 -0.560 -5.045 1.00 32.51 H new ATOM 0 HG LEU A 8 1.852 0.782 -7.033 1.00 33.53 H new ATOM 0 HD11 LEU A 8 1.233 2.922 -5.982 1.00 73.41 H new ATOM 0 HD12 LEU A 8 0.121 1.613 -5.518 1.00 73.41 H new ATOM 0 HD13 LEU A 8 1.368 2.168 -4.376 1.00 73.41 H new ATOM 0 HD21 LEU A 8 3.598 2.433 -6.484 1.00 35.01 H new ATOM 0 HD22 LEU A 8 3.825 1.659 -4.898 1.00 35.01 H new ATOM 0 HD23 LEU A 8 4.213 0.766 -6.387 1.00 35.01 H new ATOM 109 N LEU A 9 2.887 1.703 -2.735 1.00 1.13 N ATOM 110 CA LEU A 9 2.446 2.765 -1.837 1.00 71.23 C ATOM 111 C LEU A 9 2.239 4.070 -2.598 1.00 70.11 C ATOM 112 O LEU A 9 3.022 4.416 -3.483 1.00 23.01 O ATOM 113 CB LEU A 9 3.467 2.969 -0.717 1.00 13.14 C ATOM 114 CG LEU A 9 3.036 3.892 0.424 1.00 74.22 C ATOM 115 CD1 LEU A 9 3.148 5.349 0.003 1.00 4.54 C ATOM 116 CD2 LEU A 9 1.614 3.570 0.862 1.00 51.12 C ATOM 0 H LEU A 9 3.781 1.882 -3.192 1.00 1.13 H new ATOM 0 HA LEU A 9 1.493 2.466 -1.400 1.00 71.23 H new ATOM 0 HB2 LEU A 9 3.714 1.995 -0.296 1.00 13.14 H new ATOM 0 HB3 LEU A 9 4.382 3.368 -1.155 1.00 13.14 H new ATOM 0 HG LEU A 9 3.702 3.727 1.271 1.00 74.22 H new ATOM 0 HD11 LEU A 9 2.837 5.991 0.827 1.00 4.54 H new ATOM 0 HD12 LEU A 9 4.181 5.573 -0.262 1.00 4.54 H new ATOM 0 HD13 LEU A 9 2.506 5.529 -0.859 1.00 4.54 H new ATOM 0 HD21 LEU A 9 1.324 4.236 1.674 1.00 51.12 H new ATOM 0 HD22 LEU A 9 0.934 3.706 0.021 1.00 51.12 H new ATOM 0 HD23 LEU A 9 1.564 2.537 1.205 1.00 51.12 H new ATOM 128 N VAL A 10 1.182 4.793 -2.246 1.00 55.41 N ATOM 129 CA VAL A 10 0.874 6.064 -2.893 1.00 71.33 C ATOM 130 C VAL A 10 0.781 7.192 -1.872 1.00 33.03 C ATOM 131 O VAL A 10 0.065 7.083 -0.875 1.00 1.52 O ATOM 132 CB VAL A 10 -0.449 5.987 -3.679 1.00 43.13 C ATOM 133 CG1 VAL A 10 -0.669 7.262 -4.479 1.00 0.21 C ATOM 134 CG2 VAL A 10 -0.456 4.769 -4.590 1.00 70.05 C ATOM 0 H VAL A 10 0.523 4.521 -1.516 1.00 55.41 H new ATOM 0 HA VAL A 10 1.689 6.272 -3.587 1.00 71.33 H new ATOM 0 HB VAL A 10 -1.269 5.886 -2.968 1.00 43.13 H new ATOM 0 HG11 VAL A 10 -1.608 7.190 -5.028 1.00 0.21 H new ATOM 0 HG12 VAL A 10 -0.710 8.115 -3.801 1.00 0.21 H new ATOM 0 HG13 VAL A 10 0.153 7.397 -5.182 1.00 0.21 H new ATOM 0 HG21 VAL A 10 -1.398 4.730 -5.138 1.00 70.05 H new ATOM 0 HG22 VAL A 10 0.372 4.838 -5.296 1.00 70.05 H new ATOM 0 HG23 VAL A 10 -0.347 3.865 -3.990 1.00 70.05 H new ATOM 144 N CYS A 11 1.507 8.275 -2.127 1.00 61.44 N ATOM 145 CA CYS A 11 1.506 9.424 -1.230 1.00 41.42 C ATOM 146 C CYS A 11 2.313 10.576 -1.823 1.00 14.23 C ATOM 147 O CYS A 11 3.394 10.372 -2.371 1.00 23.40 O ATOM 148 CB CYS A 11 2.077 9.034 0.134 1.00 64.24 C ATOM 149 SG CYS A 11 1.977 10.341 1.378 1.00 43.24 S ATOM 0 H CYS A 11 2.104 8.381 -2.948 1.00 61.44 H new ATOM 0 HA CYS A 11 0.475 9.754 -1.102 1.00 41.42 H new ATOM 0 HB2 CYS A 11 1.545 8.157 0.501 1.00 64.24 H new ATOM 0 HB3 CYS A 11 3.121 8.745 0.010 1.00 64.24 H new ATOM 0 HG CYS A 11 3.125 10.945 1.466 1.00 43.24 H new ATOM 155 N GLY A 12 1.777 11.788 -1.708 1.00 71.31 N ATOM 156 CA GLY A 12 2.459 12.953 -2.238 1.00 12.44 C ATOM 157 C GLY A 12 3.820 13.166 -1.605 1.00 0.53 C ATOM 158 O GLY A 12 4.847 12.845 -2.202 1.00 11.32 O ATOM 0 H GLY A 12 0.883 11.983 -1.257 1.00 71.31 H new ATOM 0 HA2 GLY A 12 2.576 12.842 -3.316 1.00 12.44 H new ATOM 0 HA3 GLY A 12 1.843 13.837 -2.074 1.00 12.44 H new ATOM 162 N ALA A 13 3.828 13.712 -0.392 1.00 42.14 N ATOM 163 CA ALA A 13 5.072 13.968 0.322 1.00 62.43 C ATOM 164 C ALA A 13 5.518 12.738 1.105 1.00 30.31 C ATOM 165 O ALA A 13 4.802 12.255 1.981 1.00 20.24 O ATOM 166 CB ALA A 13 4.911 15.159 1.253 1.00 45.02 C ATOM 0 H ALA A 13 2.986 13.985 0.116 1.00 42.14 H new ATOM 0 HA ALA A 13 5.843 14.198 -0.413 1.00 62.43 H new ATOM 0 HB1 ALA A 13 5.848 15.338 1.780 1.00 45.02 H new ATOM 0 HB2 ALA A 13 4.647 16.042 0.672 1.00 45.02 H new ATOM 0 HB3 ALA A 13 4.122 14.951 1.976 1.00 45.02 H new ATOM 172 N GLY A 14 6.706 12.235 0.783 1.00 62.33 N ATOM 173 CA GLY A 14 7.226 11.064 1.466 1.00 51.02 C ATOM 174 C GLY A 14 8.058 10.184 0.555 1.00 22.42 C ATOM 175 O GLY A 14 7.749 9.007 0.366 1.00 34.34 O ATOM 0 H GLY A 14 7.318 12.617 0.062 1.00 62.33 H new ATOM 0 HA2 GLY A 14 7.833 11.381 2.314 1.00 51.02 H new ATOM 0 HA3 GLY A 14 6.396 10.483 1.868 1.00 51.02 H new ATOM 179 N MET A 15 9.116 10.753 -0.012 1.00 53.34 N ATOM 180 CA MET A 15 9.994 10.011 -0.909 1.00 64.25 C ATOM 181 C MET A 15 11.117 9.333 -0.131 1.00 45.14 C ATOM 182 O MET A 15 12.188 9.910 0.061 1.00 30.11 O ATOM 183 CB MET A 15 10.583 10.944 -1.969 1.00 2.01 C ATOM 184 CG MET A 15 10.888 10.251 -3.287 1.00 3.13 C ATOM 185 SD MET A 15 11.433 11.400 -4.566 1.00 33.44 S ATOM 186 CE MET A 15 9.951 12.380 -4.795 1.00 21.05 C ATOM 0 H MET A 15 9.386 11.726 0.134 1.00 53.34 H new ATOM 0 HA MET A 15 9.401 9.241 -1.403 1.00 64.25 H new ATOM 0 HB2 MET A 15 9.885 11.761 -2.151 1.00 2.01 H new ATOM 0 HB3 MET A 15 11.500 11.389 -1.581 1.00 2.01 H new ATOM 0 HG2 MET A 15 11.660 9.498 -3.127 1.00 3.13 H new ATOM 0 HG3 MET A 15 9.997 9.726 -3.632 1.00 3.13 H new ATOM 0 HE1 MET A 15 9.983 12.866 -5.770 1.00 21.05 H new ATOM 0 HE2 MET A 15 9.075 11.733 -4.740 1.00 21.05 H new ATOM 0 HE3 MET A 15 9.892 13.138 -4.014 1.00 21.05 H new ATOM 196 N SER A 16 10.866 8.106 0.313 1.00 24.53 N ATOM 197 CA SER A 16 11.856 7.351 1.074 1.00 71.11 C ATOM 198 C SER A 16 12.176 8.049 2.392 1.00 32.13 C ATOM 199 O SER A 16 11.876 9.230 2.573 1.00 40.24 O ATOM 200 CB SER A 16 13.135 7.174 0.254 1.00 41.34 C ATOM 201 OG SER A 16 12.840 7.020 -1.124 1.00 72.23 O ATOM 0 H SER A 16 9.986 7.613 0.159 1.00 24.53 H new ATOM 0 HA SER A 16 11.436 6.370 1.295 1.00 71.11 H new ATOM 0 HB2 SER A 16 13.784 8.038 0.396 1.00 41.34 H new ATOM 0 HB3 SER A 16 13.682 6.302 0.612 1.00 41.34 H new ATOM 0 HG SER A 16 13.674 6.910 -1.627 1.00 72.23 H new ATOM 207 N THR A 17 12.789 7.311 3.312 1.00 32.23 N ATOM 208 CA THR A 17 13.149 7.856 4.615 1.00 50.52 C ATOM 209 C THR A 17 11.911 8.294 5.389 1.00 22.45 C ATOM 210 O THR A 17 11.899 9.358 6.008 1.00 35.13 O ATOM 211 CB THR A 17 14.104 9.057 4.476 1.00 44.12 C ATOM 212 OG1 THR A 17 14.826 8.968 3.243 1.00 65.14 O ATOM 213 CG2 THR A 17 15.082 9.107 5.640 1.00 43.52 C ATOM 0 H THR A 17 13.047 6.333 3.179 1.00 32.23 H new ATOM 0 HA THR A 17 13.654 7.060 5.162 1.00 50.52 H new ATOM 0 HB THR A 17 13.509 9.970 4.483 1.00 44.12 H new ATOM 0 HG1 THR A 17 15.430 9.736 3.161 1.00 65.14 H new ATOM 0 HG21 THR A 17 15.746 9.963 5.521 1.00 43.52 H new ATOM 0 HG22 THR A 17 14.530 9.204 6.575 1.00 43.52 H new ATOM 0 HG23 THR A 17 15.671 8.190 5.660 1.00 43.52 H new ATOM 221 N SER A 18 10.872 7.467 5.351 1.00 21.31 N ATOM 222 CA SER A 18 9.627 7.769 6.048 1.00 52.43 C ATOM 223 C SER A 18 9.416 6.819 7.222 1.00 75.50 C ATOM 224 O SER A 18 9.887 5.682 7.207 1.00 41.21 O ATOM 225 CB SER A 18 8.443 7.678 5.084 1.00 42.32 C ATOM 226 OG SER A 18 7.939 8.965 4.771 1.00 23.11 O ATOM 0 H SER A 18 10.867 6.582 4.845 1.00 21.31 H new ATOM 0 HA SER A 18 9.694 8.786 6.435 1.00 52.43 H new ATOM 0 HB2 SER A 18 8.753 7.173 4.169 1.00 42.32 H new ATOM 0 HB3 SER A 18 7.653 7.073 5.530 1.00 42.32 H new ATOM 0 HG SER A 18 7.184 8.879 4.152 1.00 23.11 H new ATOM 232 N MET A 19 8.704 7.293 8.239 1.00 74.24 N ATOM 233 CA MET A 19 8.428 6.485 9.421 1.00 3.51 C ATOM 234 C MET A 19 7.656 5.223 9.050 1.00 1.20 C ATOM 235 O MET A 19 8.003 4.122 9.479 1.00 53.52 O ATOM 236 CB MET A 19 7.638 7.298 10.448 1.00 52.13 C ATOM 237 CG MET A 19 8.378 8.527 10.952 1.00 42.14 C ATOM 238 SD MET A 19 9.755 8.111 12.039 1.00 74.11 S ATOM 239 CE MET A 19 10.171 9.726 12.691 1.00 61.13 C ATOM 0 H MET A 19 8.308 8.232 8.268 1.00 74.24 H new ATOM 0 HA MET A 19 9.382 6.190 9.859 1.00 3.51 H new ATOM 0 HB2 MET A 19 6.693 7.610 10.003 1.00 52.13 H new ATOM 0 HB3 MET A 19 7.394 6.658 11.296 1.00 52.13 H new ATOM 0 HG2 MET A 19 8.751 9.096 10.101 1.00 42.14 H new ATOM 0 HG3 MET A 19 7.681 9.173 11.486 1.00 42.14 H new ATOM 0 HE1 MET A 19 11.009 9.635 13.382 1.00 61.13 H new ATOM 0 HE2 MET A 19 10.448 10.389 11.871 1.00 61.13 H new ATOM 0 HE3 MET A 19 9.310 10.139 13.217 1.00 61.13 H new ATOM 249 N LEU A 20 6.607 5.391 8.252 1.00 64.52 N ATOM 250 CA LEU A 20 5.785 4.265 7.822 1.00 1.52 C ATOM 251 C LEU A 20 6.635 3.198 7.140 1.00 31.34 C ATOM 252 O LEU A 20 6.764 2.080 7.639 1.00 25.53 O ATOM 253 CB LEU A 20 4.687 4.743 6.871 1.00 13.44 C ATOM 254 CG LEU A 20 3.313 4.983 7.498 1.00 54.11 C ATOM 255 CD1 LEU A 20 2.332 5.493 6.454 1.00 10.54 C ATOM 256 CD2 LEU A 20 2.791 3.707 8.143 1.00 45.43 C ATOM 0 H LEU A 20 6.306 6.296 7.890 1.00 64.52 H new ATOM 0 HA LEU A 20 5.325 3.825 8.707 1.00 1.52 H new ATOM 0 HB2 LEU A 20 5.018 5.670 6.403 1.00 13.44 H new ATOM 0 HB3 LEU A 20 4.577 4.006 6.075 1.00 13.44 H new ATOM 0 HG LEU A 20 3.416 5.743 8.273 1.00 54.11 H new ATOM 0 HD11 LEU A 20 1.360 5.658 6.918 1.00 10.54 H new ATOM 0 HD12 LEU A 20 2.699 6.431 6.037 1.00 10.54 H new ATOM 0 HD13 LEU A 20 2.233 4.756 5.657 1.00 10.54 H new ATOM 0 HD21 LEU A 20 1.812 3.896 8.584 1.00 45.43 H new ATOM 0 HD22 LEU A 20 2.703 2.927 7.387 1.00 45.43 H new ATOM 0 HD23 LEU A 20 3.483 3.383 8.920 1.00 45.43 H new ATOM 268 N VAL A 21 7.215 3.552 5.998 1.00 2.01 N ATOM 269 CA VAL A 21 8.057 2.626 5.250 1.00 53.01 C ATOM 270 C VAL A 21 9.128 2.011 6.143 1.00 0.32 C ATOM 271 O VAL A 21 9.453 0.831 6.017 1.00 12.21 O ATOM 272 CB VAL A 21 8.736 3.324 4.057 1.00 43.52 C ATOM 273 CG1 VAL A 21 9.529 4.535 4.528 1.00 71.41 C ATOM 274 CG2 VAL A 21 9.632 2.348 3.308 1.00 52.51 C ATOM 0 H VAL A 21 7.117 4.473 5.571 1.00 2.01 H new ATOM 0 HA VAL A 21 7.405 1.837 4.876 1.00 53.01 H new ATOM 0 HB VAL A 21 7.962 3.670 3.372 1.00 43.52 H new ATOM 0 HG11 VAL A 21 10.002 5.016 3.672 1.00 71.41 H new ATOM 0 HG12 VAL A 21 8.858 5.242 5.016 1.00 71.41 H new ATOM 0 HG13 VAL A 21 10.296 4.216 5.234 1.00 71.41 H new ATOM 0 HG21 VAL A 21 10.104 2.858 2.468 1.00 52.51 H new ATOM 0 HG22 VAL A 21 10.401 1.970 3.981 1.00 52.51 H new ATOM 0 HG23 VAL A 21 9.034 1.516 2.937 1.00 52.51 H new ATOM 284 N GLN A 22 9.674 2.821 7.045 1.00 64.11 N ATOM 285 CA GLN A 22 10.710 2.357 7.960 1.00 72.32 C ATOM 286 C GLN A 22 10.165 1.290 8.904 1.00 14.31 C ATOM 287 O GLN A 22 10.790 0.251 9.111 1.00 41.14 O ATOM 288 CB GLN A 22 11.273 3.529 8.765 1.00 53.43 C ATOM 289 CG GLN A 22 12.421 4.247 8.074 1.00 73.10 C ATOM 290 CD GLN A 22 13.621 4.435 8.980 1.00 53.52 C ATOM 291 OE1 GLN A 22 13.669 5.372 9.779 1.00 74.42 O ATOM 292 NE2 GLN A 22 14.599 3.546 8.860 1.00 45.21 N ATOM 0 H GLN A 22 9.416 3.801 7.161 1.00 64.11 H new ATOM 0 HA GLN A 22 11.511 1.916 7.367 1.00 72.32 H new ATOM 0 HB2 GLN A 22 10.473 4.243 8.959 1.00 53.43 H new ATOM 0 HB3 GLN A 22 11.615 3.163 9.733 1.00 53.43 H new ATOM 0 HG2 GLN A 22 12.721 3.680 7.193 1.00 73.10 H new ATOM 0 HG3 GLN A 22 12.078 5.221 7.725 1.00 73.10 H new ATOM 0 HE21 GLN A 22 14.517 2.786 8.185 1.00 45.21 H new ATOM 0 HE22 GLN A 22 15.433 3.623 9.443 1.00 45.21 H new ATOM 301 N ARG A 23 8.995 1.557 9.476 1.00 1.44 N ATOM 302 CA ARG A 23 8.366 0.622 10.401 1.00 74.40 C ATOM 303 C ARG A 23 8.042 -0.697 9.704 1.00 11.20 C ATOM 304 O ARG A 23 8.170 -1.770 10.294 1.00 21.02 O ATOM 305 CB ARG A 23 7.088 1.229 10.984 1.00 11.04 C ATOM 306 CG ARG A 23 7.333 2.476 11.818 1.00 64.02 C ATOM 307 CD ARG A 23 7.279 2.171 13.307 1.00 33.41 C ATOM 308 NE ARG A 23 8.386 1.316 13.730 1.00 34.14 N ATOM 309 CZ ARG A 23 8.439 0.718 14.915 1.00 71.23 C ATOM 310 NH1 ARG A 23 7.456 0.879 15.788 1.00 35.42 N ATOM 311 NH2 ARG A 23 9.479 -0.046 15.227 1.00 2.41 N ATOM 0 H ARG A 23 8.464 2.413 9.315 1.00 1.44 H new ATOM 0 HA ARG A 23 9.068 0.424 11.211 1.00 74.40 H new ATOM 0 HB2 ARG A 23 6.408 1.475 10.169 1.00 11.04 H new ATOM 0 HB3 ARG A 23 6.589 0.482 11.601 1.00 11.04 H new ATOM 0 HG2 ARG A 23 8.306 2.897 11.567 1.00 64.02 H new ATOM 0 HG3 ARG A 23 6.586 3.231 11.573 1.00 64.02 H new ATOM 0 HD2 ARG A 23 7.306 3.104 13.870 1.00 33.41 H new ATOM 0 HD3 ARG A 23 6.333 1.683 13.543 1.00 33.41 H new ATOM 0 HE ARG A 23 9.159 1.171 13.081 1.00 34.14 H new ATOM 0 HH11 ARG A 23 6.655 1.464 15.551 1.00 35.42 H new ATOM 0 HH12 ARG A 23 7.500 0.418 16.697 1.00 35.42 H new ATOM 0 HH21 ARG A 23 10.237 -0.174 14.557 1.00 2.41 H new ATOM 0 HH22 ARG A 23 9.520 -0.505 16.137 1.00 2.41 H new ATOM 325 N ILE A 24 7.622 -0.608 8.446 1.00 22.21 N ATOM 326 CA ILE A 24 7.281 -1.793 7.670 1.00 12.10 C ATOM 327 C ILE A 24 8.526 -2.611 7.340 1.00 14.00 C ATOM 328 O ILE A 24 8.614 -3.789 7.687 1.00 44.24 O ATOM 329 CB ILE A 24 6.564 -1.420 6.359 1.00 14.42 C ATOM 330 CG1 ILE A 24 5.281 -0.641 6.657 1.00 31.03 C ATOM 331 CG2 ILE A 24 6.254 -2.671 5.550 1.00 4.21 C ATOM 332 CD1 ILE A 24 5.054 0.528 5.725 1.00 52.41 C ATOM 0 H ILE A 24 7.510 0.272 7.943 1.00 22.21 H new ATOM 0 HA ILE A 24 6.609 -2.391 8.285 1.00 12.10 H new ATOM 0 HB ILE A 24 7.225 -0.784 5.770 1.00 14.42 H new ATOM 0 HG12 ILE A 24 4.430 -1.319 6.590 1.00 31.03 H new ATOM 0 HG13 ILE A 24 5.318 -0.275 7.683 1.00 31.03 H new ATOM 0 HG21 ILE A 24 5.747 -2.391 4.626 1.00 4.21 H new ATOM 0 HG22 ILE A 24 7.183 -3.189 5.312 1.00 4.21 H new ATOM 0 HG23 ILE A 24 5.610 -3.330 6.132 1.00 4.21 H new ATOM 0 HD11 ILE A 24 4.127 1.034 5.995 1.00 52.41 H new ATOM 0 HD12 ILE A 24 5.886 1.227 5.809 1.00 52.41 H new ATOM 0 HD13 ILE A 24 4.985 0.167 4.699 1.00 52.41 H new ATOM 344 N GLU A 25 9.483 -1.978 6.672 1.00 50.05 N ATOM 345 CA GLU A 25 10.723 -2.648 6.297 1.00 63.14 C ATOM 346 C GLU A 25 11.411 -3.243 7.521 1.00 43.11 C ATOM 347 O GLU A 25 12.017 -4.313 7.448 1.00 2.52 O ATOM 348 CB GLU A 25 11.666 -1.668 5.594 1.00 72.25 C ATOM 349 CG GLU A 25 12.217 -0.590 6.511 1.00 61.11 C ATOM 350 CD GLU A 25 13.160 0.358 5.796 1.00 62.01 C ATOM 351 OE1 GLU A 25 12.733 0.986 4.805 1.00 70.14 O ATOM 352 OE2 GLU A 25 14.326 0.472 6.229 1.00 65.35 O ATOM 0 H GLU A 25 9.425 -1.003 6.379 1.00 50.05 H new ATOM 0 HA GLU A 25 10.475 -3.458 5.611 1.00 63.14 H new ATOM 0 HB2 GLU A 25 12.497 -2.224 5.161 1.00 72.25 H new ATOM 0 HB3 GLU A 25 11.135 -1.194 4.769 1.00 72.25 H new ATOM 0 HG2 GLU A 25 11.389 -0.022 6.936 1.00 61.11 H new ATOM 0 HG3 GLU A 25 12.742 -1.059 7.343 1.00 61.11 H new ATOM 359 N LYS A 26 11.315 -2.542 8.646 1.00 32.52 N ATOM 360 CA LYS A 26 11.927 -3.000 9.887 1.00 12.54 C ATOM 361 C LYS A 26 11.222 -4.246 10.414 1.00 1.11 C ATOM 362 O LYS A 26 11.840 -5.299 10.574 1.00 21.34 O ATOM 363 CB LYS A 26 11.881 -1.891 10.942 1.00 54.30 C ATOM 364 CG LYS A 26 13.020 -0.894 10.826 1.00 70.13 C ATOM 365 CD LYS A 26 12.771 0.339 11.678 1.00 23.34 C ATOM 366 CE LYS A 26 14.062 1.091 11.960 1.00 3.33 C ATOM 367 NZ LYS A 26 14.923 0.369 12.937 1.00 65.14 N ATOM 0 H LYS A 26 10.819 -1.654 8.723 1.00 32.52 H new ATOM 0 HA LYS A 26 12.967 -3.253 9.678 1.00 12.54 H new ATOM 0 HB2 LYS A 26 10.933 -1.359 10.857 1.00 54.30 H new ATOM 0 HB3 LYS A 26 11.905 -2.343 11.934 1.00 54.30 H new ATOM 0 HG2 LYS A 26 13.952 -1.368 11.134 1.00 70.13 H new ATOM 0 HG3 LYS A 26 13.141 -0.599 9.784 1.00 70.13 H new ATOM 0 HD2 LYS A 26 12.068 0.999 11.169 1.00 23.34 H new ATOM 0 HD3 LYS A 26 12.307 0.045 12.619 1.00 23.34 H new ATOM 0 HE2 LYS A 26 14.610 1.233 11.029 1.00 3.33 H new ATOM 0 HE3 LYS A 26 13.827 2.083 12.346 1.00 3.33 H new ATOM 0 HZ1 LYS A 26 15.657 1.013 13.295 1.00 65.14 H new ATOM 0 HZ2 LYS A 26 14.341 0.032 13.730 1.00 65.14 H new ATOM 0 HZ3 LYS A 26 15.374 -0.443 12.469 1.00 65.14 H new ATOM 381 N TYR A 27 9.927 -4.120 10.681 1.00 64.13 N ATOM 382 CA TYR A 27 9.139 -5.236 11.191 1.00 43.22 C ATOM 383 C TYR A 27 9.310 -6.470 10.311 1.00 63.23 C ATOM 384 O TYR A 27 9.546 -7.572 10.806 1.00 41.12 O ATOM 385 CB TYR A 27 7.660 -4.851 11.267 1.00 24.32 C ATOM 386 CG TYR A 27 6.748 -6.014 11.583 1.00 71.11 C ATOM 387 CD1 TYR A 27 6.476 -6.372 12.898 1.00 30.11 C ATOM 388 CD2 TYR A 27 6.158 -6.756 10.568 1.00 61.44 C ATOM 389 CE1 TYR A 27 5.644 -7.434 13.193 1.00 51.04 C ATOM 390 CE2 TYR A 27 5.323 -7.819 10.852 1.00 53.22 C ATOM 391 CZ TYR A 27 5.069 -8.154 12.166 1.00 51.13 C ATOM 392 OH TYR A 27 4.239 -9.214 12.454 1.00 55.41 O ATOM 0 H TYR A 27 9.400 -3.256 10.553 1.00 64.13 H new ATOM 0 HA TYR A 27 9.498 -5.473 12.193 1.00 43.22 H new ATOM 0 HB2 TYR A 27 7.532 -4.082 12.029 1.00 24.32 H new ATOM 0 HB3 TYR A 27 7.358 -4.411 10.316 1.00 24.32 H new ATOM 0 HD1 TYR A 27 6.923 -5.809 13.704 1.00 30.11 H new ATOM 0 HD2 TYR A 27 6.356 -6.497 9.538 1.00 61.44 H new ATOM 0 HE1 TYR A 27 5.445 -7.699 14.221 1.00 51.04 H new ATOM 0 HE2 TYR A 27 4.872 -8.385 10.050 1.00 53.22 H new ATOM 0 HH TYR A 27 3.916 -9.613 11.619 1.00 55.41 H new ATOM 402 N ALA A 28 9.190 -6.277 9.001 1.00 10.43 N ATOM 403 CA ALA A 28 9.333 -7.372 8.050 1.00 25.31 C ATOM 404 C ALA A 28 10.738 -7.964 8.104 1.00 70.44 C ATOM 405 O ALA A 28 10.907 -9.179 8.214 1.00 21.11 O ATOM 406 CB ALA A 28 9.013 -6.894 6.642 1.00 25.13 C ATOM 0 H ALA A 28 8.994 -5.371 8.574 1.00 10.43 H new ATOM 0 HA ALA A 28 8.626 -8.155 8.325 1.00 25.31 H new ATOM 0 HB1 ALA A 28 9.124 -7.722 5.942 1.00 25.13 H new ATOM 0 HB2 ALA A 28 7.988 -6.525 6.607 1.00 25.13 H new ATOM 0 HB3 ALA A 28 9.697 -6.092 6.366 1.00 25.13 H new ATOM 412 N LYS A 29 11.743 -7.099 8.023 1.00 64.42 N ATOM 413 CA LYS A 29 13.134 -7.536 8.062 1.00 12.31 C ATOM 414 C LYS A 29 13.421 -8.322 9.337 1.00 21.23 C ATOM 415 O LYS A 29 14.275 -9.210 9.351 1.00 72.25 O ATOM 416 CB LYS A 29 14.072 -6.329 7.973 1.00 33.22 C ATOM 417 CG LYS A 29 14.309 -5.847 6.552 1.00 72.32 C ATOM 418 CD LYS A 29 15.020 -4.505 6.530 1.00 40.00 C ATOM 419 CE LYS A 29 16.264 -4.547 5.657 1.00 21.31 C ATOM 420 NZ LYS A 29 16.714 -3.182 5.266 1.00 4.11 N ATOM 0 H LYS A 29 11.620 -6.091 7.930 1.00 64.42 H new ATOM 0 HA LYS A 29 13.308 -8.188 7.206 1.00 12.31 H new ATOM 0 HB2 LYS A 29 13.655 -5.511 8.560 1.00 33.22 H new ATOM 0 HB3 LYS A 29 15.030 -6.589 8.424 1.00 33.22 H new ATOM 0 HG2 LYS A 29 14.903 -6.584 6.011 1.00 72.32 H new ATOM 0 HG3 LYS A 29 13.355 -5.763 6.031 1.00 72.32 H new ATOM 0 HD2 LYS A 29 14.340 -3.738 6.159 1.00 40.00 H new ATOM 0 HD3 LYS A 29 15.297 -4.222 7.546 1.00 40.00 H new ATOM 0 HE2 LYS A 29 17.066 -5.054 6.193 1.00 21.31 H new ATOM 0 HE3 LYS A 29 16.059 -5.132 4.761 1.00 21.31 H new ATOM 0 HZ1 LYS A 29 17.564 -3.254 4.672 1.00 4.11 H new ATOM 0 HZ2 LYS A 29 15.958 -2.707 4.733 1.00 4.11 H new ATOM 0 HZ3 LYS A 29 16.934 -2.631 6.120 1.00 4.11 H new ATOM 434 N SER A 30 12.703 -7.993 10.406 1.00 43.31 N ATOM 435 CA SER A 30 12.883 -8.668 11.686 1.00 4.32 C ATOM 436 C SER A 30 12.100 -9.976 11.725 1.00 63.34 C ATOM 437 O SER A 30 12.589 -10.991 12.221 1.00 73.43 O ATOM 438 CB SER A 30 12.437 -7.758 12.833 1.00 74.42 C ATOM 439 OG SER A 30 12.079 -8.517 13.975 1.00 42.12 O ATOM 0 H SER A 30 11.991 -7.263 10.411 1.00 43.31 H new ATOM 0 HA SER A 30 13.942 -8.896 11.803 1.00 4.32 H new ATOM 0 HB2 SER A 30 13.241 -7.068 13.088 1.00 74.42 H new ATOM 0 HB3 SER A 30 11.588 -7.154 12.513 1.00 74.42 H new ATOM 0 HG SER A 30 11.799 -7.913 14.694 1.00 42.12 H new ATOM 445 N LYS A 31 10.880 -9.945 11.198 1.00 41.41 N ATOM 446 CA LYS A 31 10.028 -11.127 11.170 1.00 11.14 C ATOM 447 C LYS A 31 10.527 -12.133 10.139 1.00 73.14 C ATOM 448 O LYS A 31 10.143 -13.302 10.162 1.00 15.23 O ATOM 449 CB LYS A 31 8.583 -10.731 10.855 1.00 25.20 C ATOM 450 CG LYS A 31 7.712 -10.577 12.090 1.00 71.21 C ATOM 451 CD LYS A 31 7.467 -11.913 12.771 1.00 52.21 C ATOM 452 CE LYS A 31 6.424 -11.795 13.871 1.00 65.11 C ATOM 453 NZ LYS A 31 6.974 -12.180 15.201 1.00 70.22 N ATOM 0 H LYS A 31 10.460 -9.113 10.784 1.00 41.41 H new ATOM 0 HA LYS A 31 10.064 -11.594 12.154 1.00 11.14 H new ATOM 0 HB2 LYS A 31 8.585 -9.791 10.302 1.00 25.20 H new ATOM 0 HB3 LYS A 31 8.143 -11.484 10.202 1.00 25.20 H new ATOM 0 HG2 LYS A 31 8.191 -9.893 12.791 1.00 71.21 H new ATOM 0 HG3 LYS A 31 6.758 -10.130 11.810 1.00 71.21 H new ATOM 0 HD2 LYS A 31 7.137 -12.644 12.033 1.00 52.21 H new ATOM 0 HD3 LYS A 31 8.401 -12.285 13.192 1.00 52.21 H new ATOM 0 HE2 LYS A 31 6.055 -10.770 13.913 1.00 65.11 H new ATOM 0 HE3 LYS A 31 5.571 -12.431 13.633 1.00 65.11 H new ATOM 0 HZ1 LYS A 31 6.232 -12.086 15.924 1.00 70.22 H new ATOM 0 HZ2 LYS A 31 7.303 -13.166 15.168 1.00 70.22 H new ATOM 0 HZ3 LYS A 31 7.772 -11.557 15.440 1.00 70.22 H new ATOM 467 N ASN A 32 11.386 -11.672 9.236 1.00 50.11 N ATOM 468 CA ASN A 32 11.939 -12.534 8.197 1.00 43.32 C ATOM 469 C ASN A 32 10.841 -13.031 7.263 1.00 54.05 C ATOM 470 O ASN A 32 10.652 -14.237 7.097 1.00 13.32 O ATOM 471 CB ASN A 32 12.668 -13.723 8.825 1.00 3.43 C ATOM 472 CG ASN A 32 13.577 -14.430 7.839 1.00 54.21 C ATOM 473 OD1 ASN A 32 13.886 -13.899 6.772 1.00 65.53 O ATOM 474 ND2 ASN A 32 14.010 -15.635 8.193 1.00 72.23 N ATOM 0 H ASN A 32 11.714 -10.707 9.202 1.00 50.11 H new ATOM 0 HA ASN A 32 12.650 -11.949 7.614 1.00 43.32 H new ATOM 0 HB2 ASN A 32 13.257 -13.377 9.674 1.00 3.43 H new ATOM 0 HB3 ASN A 32 11.936 -14.431 9.212 1.00 3.43 H new ATOM 0 HD21 ASN A 32 14.625 -16.159 7.570 1.00 72.23 H new ATOM 0 HD22 ASN A 32 13.728 -16.036 9.088 1.00 72.23 H new ATOM 481 N ILE A 33 10.120 -12.096 6.654 1.00 43.22 N ATOM 482 CA ILE A 33 9.042 -12.440 5.735 1.00 30.20 C ATOM 483 C ILE A 33 9.407 -12.078 4.298 1.00 24.44 C ATOM 484 O ILE A 33 10.050 -11.060 4.049 1.00 51.33 O ATOM 485 CB ILE A 33 7.731 -11.727 6.114 1.00 54.24 C ATOM 486 CG1 ILE A 33 7.315 -12.100 7.539 1.00 61.15 C ATOM 487 CG2 ILE A 33 6.629 -12.083 5.125 1.00 4.21 C ATOM 488 CD1 ILE A 33 6.327 -11.133 8.153 1.00 40.33 C ATOM 0 H ILE A 33 10.263 -11.094 6.780 1.00 43.22 H new ATOM 0 HA ILE A 33 8.896 -13.518 5.810 1.00 30.20 H new ATOM 0 HB ILE A 33 7.896 -10.650 6.073 1.00 54.24 H new ATOM 0 HG12 ILE A 33 6.877 -13.098 7.531 1.00 61.15 H new ATOM 0 HG13 ILE A 33 8.204 -12.147 8.168 1.00 61.15 H new ATOM 0 HG21 ILE A 33 5.709 -11.571 5.406 1.00 4.21 H new ATOM 0 HG22 ILE A 33 6.925 -11.773 4.123 1.00 4.21 H new ATOM 0 HG23 ILE A 33 6.463 -13.160 5.137 1.00 4.21 H new ATOM 0 HD11 ILE A 33 6.077 -11.460 9.162 1.00 40.33 H new ATOM 0 HD12 ILE A 33 6.769 -10.137 8.193 1.00 40.33 H new ATOM 0 HD13 ILE A 33 5.422 -11.104 7.547 1.00 40.33 H new ATOM 500 N ASN A 34 8.991 -12.921 3.359 1.00 44.34 N ATOM 501 CA ASN A 34 9.274 -12.689 1.947 1.00 72.03 C ATOM 502 C ASN A 34 8.308 -11.665 1.359 1.00 12.44 C ATOM 503 O ASN A 34 7.313 -12.023 0.728 1.00 21.35 O ATOM 504 CB ASN A 34 9.180 -14.002 1.165 1.00 4.31 C ATOM 505 CG ASN A 34 7.916 -14.775 1.484 1.00 32.43 C ATOM 506 OD1 ASN A 34 7.750 -15.286 2.593 1.00 51.45 O ATOM 507 ND2 ASN A 34 7.017 -14.867 0.511 1.00 55.14 N ATOM 0 H ASN A 34 8.458 -13.769 3.549 1.00 44.34 H new ATOM 0 HA ASN A 34 10.287 -12.295 1.865 1.00 72.03 H new ATOM 0 HB2 ASN A 34 9.212 -13.789 0.097 1.00 4.31 H new ATOM 0 HB3 ASN A 34 10.048 -14.620 1.393 1.00 4.31 H new ATOM 0 HD21 ASN A 34 6.147 -15.377 0.667 1.00 55.14 H new ATOM 0 HD22 ASN A 34 7.196 -14.428 -0.392 1.00 55.14 H new ATOM 514 N ALA A 35 8.608 -10.387 1.571 1.00 62.11 N ATOM 515 CA ALA A 35 7.769 -9.311 1.060 1.00 53.52 C ATOM 516 C ALA A 35 8.587 -8.049 0.806 1.00 23.23 C ATOM 517 O ALA A 35 9.725 -7.932 1.262 1.00 62.11 O ATOM 518 CB ALA A 35 6.634 -9.020 2.033 1.00 43.13 C ATOM 0 H ALA A 35 9.426 -10.073 2.093 1.00 62.11 H new ATOM 0 HA ALA A 35 7.345 -9.634 0.109 1.00 53.52 H new ATOM 0 HB1 ALA A 35 6.015 -8.214 1.639 1.00 43.13 H new ATOM 0 HB2 ALA A 35 6.026 -9.916 2.161 1.00 43.13 H new ATOM 0 HB3 ALA A 35 7.048 -8.722 2.996 1.00 43.13 H new ATOM 524 N THR A 36 8.001 -7.107 0.074 1.00 13.34 N ATOM 525 CA THR A 36 8.677 -5.855 -0.242 1.00 61.23 C ATOM 526 C THR A 36 7.681 -4.708 -0.365 1.00 11.54 C ATOM 527 O THR A 36 6.482 -4.931 -0.538 1.00 4.51 O ATOM 528 CB THR A 36 9.480 -5.965 -1.552 1.00 52.04 C ATOM 529 OG1 THR A 36 9.300 -7.264 -2.129 1.00 3.42 O ATOM 530 CG2 THR A 36 10.959 -5.714 -1.303 1.00 71.52 C ATOM 0 H THR A 36 7.060 -7.187 -0.311 1.00 13.34 H new ATOM 0 HA THR A 36 9.363 -5.650 0.580 1.00 61.23 H new ATOM 0 HB THR A 36 9.112 -5.207 -2.243 1.00 52.04 H new ATOM 0 HG1 THR A 36 8.354 -7.397 -2.346 1.00 3.42 H new ATOM 0 HG21 THR A 36 11.505 -5.797 -2.243 1.00 71.52 H new ATOM 0 HG22 THR A 36 11.094 -4.714 -0.892 1.00 71.52 H new ATOM 0 HG23 THR A 36 11.339 -6.451 -0.596 1.00 71.52 H new ATOM 538 N ILE A 37 8.183 -3.481 -0.274 1.00 23.13 N ATOM 539 CA ILE A 37 7.336 -2.300 -0.376 1.00 50.35 C ATOM 540 C ILE A 37 8.074 -1.152 -1.058 1.00 4.13 C ATOM 541 O ILE A 37 9.291 -1.022 -0.931 1.00 10.52 O ATOM 542 CB ILE A 37 6.850 -1.833 1.008 1.00 42.44 C ATOM 543 CG1 ILE A 37 5.839 -0.695 0.861 1.00 54.25 C ATOM 544 CG2 ILE A 37 8.030 -1.393 1.862 1.00 32.05 C ATOM 545 CD1 ILE A 37 4.709 -0.756 1.865 1.00 75.14 C ATOM 0 H ILE A 37 9.172 -3.279 -0.130 1.00 23.13 H new ATOM 0 HA ILE A 37 6.472 -2.583 -0.978 1.00 50.35 H new ATOM 0 HB ILE A 37 6.357 -2.669 1.505 1.00 42.44 H new ATOM 0 HG12 ILE A 37 6.358 0.257 0.968 1.00 54.25 H new ATOM 0 HG13 ILE A 37 5.421 -0.719 -0.146 1.00 54.25 H new ATOM 0 HG21 ILE A 37 7.671 -1.065 2.838 1.00 32.05 H new ATOM 0 HG22 ILE A 37 8.718 -2.229 1.990 1.00 32.05 H new ATOM 0 HG23 ILE A 37 8.548 -0.569 1.371 1.00 32.05 H new ATOM 0 HD11 ILE A 37 4.031 0.082 1.701 1.00 75.14 H new ATOM 0 HD12 ILE A 37 4.165 -1.693 1.744 1.00 75.14 H new ATOM 0 HD13 ILE A 37 5.116 -0.701 2.875 1.00 75.14 H new ATOM 557 N GLU A 38 7.328 -0.321 -1.779 1.00 41.25 N ATOM 558 CA GLU A 38 7.913 0.817 -2.479 1.00 11.30 C ATOM 559 C GLU A 38 6.871 1.909 -2.706 1.00 42.00 C ATOM 560 O GLU A 38 5.699 1.624 -2.944 1.00 32.33 O ATOM 561 CB GLU A 38 8.502 0.372 -3.819 1.00 52.10 C ATOM 562 CG GLU A 38 9.273 1.466 -4.538 1.00 2.05 C ATOM 563 CD GLU A 38 10.067 0.941 -5.718 1.00 65.34 C ATOM 564 OE1 GLU A 38 11.155 0.371 -5.496 1.00 63.31 O ATOM 565 OE2 GLU A 38 9.598 1.101 -6.865 1.00 23.40 O ATOM 0 H GLU A 38 6.319 -0.414 -1.894 1.00 41.25 H new ATOM 0 HA GLU A 38 8.711 1.223 -1.857 1.00 11.30 H new ATOM 0 HB2 GLU A 38 9.164 -0.477 -3.651 1.00 52.10 H new ATOM 0 HB3 GLU A 38 7.695 0.024 -4.464 1.00 52.10 H new ATOM 0 HG2 GLU A 38 8.576 2.229 -4.885 1.00 2.05 H new ATOM 0 HG3 GLU A 38 9.951 1.950 -3.835 1.00 2.05 H new ATOM 572 N ALA A 39 7.310 3.161 -2.631 1.00 11.51 N ATOM 573 CA ALA A 39 6.417 4.297 -2.829 1.00 4.35 C ATOM 574 C ALA A 39 6.737 5.026 -4.130 1.00 23.40 C ATOM 575 O ALA A 39 7.885 5.042 -4.577 1.00 53.41 O ATOM 576 CB ALA A 39 6.510 5.253 -1.649 1.00 53.20 C ATOM 0 H ALA A 39 8.278 3.415 -2.435 1.00 11.51 H new ATOM 0 HA ALA A 39 5.397 3.919 -2.896 1.00 4.35 H new ATOM 0 HB1 ALA A 39 5.838 6.096 -1.810 1.00 53.20 H new ATOM 0 HB2 ALA A 39 6.225 4.732 -0.735 1.00 53.20 H new ATOM 0 HB3 ALA A 39 7.533 5.617 -1.555 1.00 53.20 H new ATOM 582 N ILE A 40 5.716 5.626 -4.733 1.00 73.41 N ATOM 583 CA ILE A 40 5.890 6.356 -5.982 1.00 52.12 C ATOM 584 C ILE A 40 4.874 7.487 -6.103 1.00 3.31 C ATOM 585 O ILE A 40 4.076 7.718 -5.195 1.00 52.15 O ATOM 586 CB ILE A 40 5.753 5.426 -7.202 1.00 12.04 C ATOM 587 CG1 ILE A 40 4.440 4.642 -7.128 1.00 44.15 C ATOM 588 CG2 ILE A 40 6.939 4.476 -7.280 1.00 13.30 C ATOM 589 CD1 ILE A 40 3.267 5.369 -7.746 1.00 42.24 C ATOM 0 H ILE A 40 4.760 5.621 -4.377 1.00 73.41 H new ATOM 0 HA ILE A 40 6.897 6.774 -5.966 1.00 52.12 H new ATOM 0 HB ILE A 40 5.741 6.036 -8.105 1.00 12.04 H new ATOM 0 HG12 ILE A 40 4.569 3.684 -7.631 1.00 44.15 H new ATOM 0 HG13 ILE A 40 4.214 4.426 -6.084 1.00 44.15 H new ATOM 0 HG21 ILE A 40 6.828 3.825 -8.147 1.00 13.30 H new ATOM 0 HG22 ILE A 40 7.860 5.051 -7.374 1.00 13.30 H new ATOM 0 HG23 ILE A 40 6.980 3.870 -6.375 1.00 13.30 H new ATOM 0 HD11 ILE A 40 2.371 4.755 -7.658 1.00 42.24 H new ATOM 0 HD12 ILE A 40 3.111 6.315 -7.228 1.00 42.24 H new ATOM 0 HD13 ILE A 40 3.472 5.562 -8.799 1.00 42.24 H new ATOM 601 N ALA A 41 4.910 8.189 -7.232 1.00 20.34 N ATOM 602 CA ALA A 41 3.990 9.293 -7.474 1.00 5.42 C ATOM 603 C ALA A 41 2.794 8.840 -8.302 1.00 73.13 C ATOM 604 O ALA A 41 2.892 7.897 -9.087 1.00 42.31 O ATOM 605 CB ALA A 41 4.712 10.439 -8.168 1.00 70.10 C ATOM 0 H ALA A 41 5.566 8.012 -7.993 1.00 20.34 H new ATOM 0 HA ALA A 41 3.619 9.642 -6.510 1.00 5.42 H new ATOM 0 HB1 ALA A 41 4.013 11.257 -8.343 1.00 70.10 H new ATOM 0 HB2 ALA A 41 5.530 10.789 -7.538 1.00 70.10 H new ATOM 0 HB3 ALA A 41 5.111 10.093 -9.121 1.00 70.10 H new ATOM 611 N GLU A 42 1.663 9.517 -8.122 1.00 43.45 N ATOM 612 CA GLU A 42 0.447 9.182 -8.853 1.00 64.15 C ATOM 613 C GLU A 42 0.694 9.204 -10.359 1.00 20.02 C ATOM 614 O GLU A 42 -0.010 8.546 -11.125 1.00 71.25 O ATOM 615 CB GLU A 42 -0.675 10.157 -8.495 1.00 35.12 C ATOM 616 CG GLU A 42 -0.300 11.616 -8.692 1.00 31.00 C ATOM 617 CD GLU A 42 -1.473 12.464 -9.146 1.00 74.33 C ATOM 618 OE1 GLU A 42 -1.845 12.374 -10.335 1.00 51.10 O ATOM 619 OE2 GLU A 42 -2.019 13.216 -8.312 1.00 35.51 O ATOM 0 H GLU A 42 1.565 10.300 -7.476 1.00 43.45 H new ATOM 0 HA GLU A 42 0.147 8.174 -8.566 1.00 64.15 H new ATOM 0 HB2 GLU A 42 -1.550 9.930 -9.104 1.00 35.12 H new ATOM 0 HB3 GLU A 42 -0.962 10.002 -7.455 1.00 35.12 H new ATOM 0 HG2 GLU A 42 0.092 12.016 -7.757 1.00 31.00 H new ATOM 0 HG3 GLU A 42 0.500 11.685 -9.429 1.00 31.00 H new ATOM 626 N THR A 43 1.700 9.968 -10.776 1.00 75.52 N ATOM 627 CA THR A 43 2.038 10.079 -12.189 1.00 65.32 C ATOM 628 C THR A 43 2.477 8.734 -12.757 1.00 75.51 C ATOM 629 O THR A 43 2.176 8.406 -13.906 1.00 3.55 O ATOM 630 CB THR A 43 3.161 11.109 -12.419 1.00 13.44 C ATOM 631 OG1 THR A 43 3.470 11.194 -13.814 1.00 44.23 O ATOM 632 CG2 THR A 43 4.411 10.731 -11.639 1.00 14.11 C ATOM 0 H THR A 43 2.294 10.518 -10.155 1.00 75.52 H new ATOM 0 HA THR A 43 1.137 10.412 -12.704 1.00 65.32 H new ATOM 0 HB THR A 43 2.812 12.079 -12.065 1.00 13.44 H new ATOM 0 HG1 THR A 43 4.183 11.852 -13.952 1.00 44.23 H new ATOM 0 HG21 THR A 43 5.189 11.473 -11.817 1.00 14.11 H new ATOM 0 HG22 THR A 43 4.179 10.697 -10.574 1.00 14.11 H new ATOM 0 HG23 THR A 43 4.761 9.752 -11.965 1.00 14.11 H new ATOM 640 N ARG A 44 3.187 7.957 -11.945 1.00 63.41 N ATOM 641 CA ARG A 44 3.667 6.647 -12.367 1.00 73.34 C ATOM 642 C ARG A 44 2.821 5.534 -11.755 1.00 1.25 C ATOM 643 O ARG A 44 3.046 4.352 -12.017 1.00 53.13 O ATOM 644 CB ARG A 44 5.133 6.464 -11.971 1.00 2.20 C ATOM 645 CG ARG A 44 6.100 7.255 -12.837 1.00 63.41 C ATOM 646 CD ARG A 44 7.294 7.745 -12.033 1.00 1.22 C ATOM 647 NE ARG A 44 8.483 7.913 -12.865 1.00 22.44 N ATOM 648 CZ ARG A 44 9.159 6.899 -13.393 1.00 2.03 C ATOM 649 NH1 ARG A 44 8.767 5.651 -13.178 1.00 34.12 N ATOM 650 NH2 ARG A 44 10.232 7.132 -14.139 1.00 50.12 N ATOM 0 H ARG A 44 3.442 8.212 -10.991 1.00 63.41 H new ATOM 0 HA ARG A 44 3.582 6.590 -13.452 1.00 73.34 H new ATOM 0 HB2 ARG A 44 5.260 6.765 -10.931 1.00 2.20 H new ATOM 0 HB3 ARG A 44 5.387 5.406 -12.030 1.00 2.20 H new ATOM 0 HG2 ARG A 44 6.446 6.631 -13.661 1.00 63.41 H new ATOM 0 HG3 ARG A 44 5.582 8.107 -13.278 1.00 63.41 H new ATOM 0 HD2 ARG A 44 7.046 8.695 -11.559 1.00 1.22 H new ATOM 0 HD3 ARG A 44 7.508 7.036 -11.234 1.00 1.22 H new ATOM 0 HE ARG A 44 8.812 8.861 -13.050 1.00 22.44 H new ATOM 0 HH11 ARG A 44 7.943 5.467 -12.605 1.00 34.12 H new ATOM 0 HH12 ARG A 44 9.289 4.875 -13.585 1.00 34.12 H new ATOM 0 HH21 ARG A 44 10.538 8.090 -14.307 1.00 50.12 H new ATOM 0 HH22 ARG A 44 10.751 6.353 -14.544 1.00 50.12 H new ATOM 664 N LEU A 45 1.847 5.921 -10.937 1.00 4.32 N ATOM 665 CA LEU A 45 0.967 4.957 -10.285 1.00 63.14 C ATOM 666 C LEU A 45 0.339 4.016 -11.308 1.00 50.04 C ATOM 667 O LEU A 45 0.411 2.795 -11.169 1.00 12.11 O ATOM 668 CB LEU A 45 -0.128 5.684 -9.504 1.00 30.31 C ATOM 669 CG LEU A 45 -1.236 4.804 -8.923 1.00 64.14 C ATOM 670 CD1 LEU A 45 -0.736 4.057 -7.696 1.00 2.31 C ATOM 671 CD2 LEU A 45 -2.458 5.642 -8.579 1.00 63.35 C ATOM 0 H LEU A 45 1.647 6.895 -10.710 1.00 4.32 H new ATOM 0 HA LEU A 45 1.566 4.365 -9.593 1.00 63.14 H new ATOM 0 HB2 LEU A 45 0.340 6.232 -8.686 1.00 30.31 H new ATOM 0 HB3 LEU A 45 -0.586 6.423 -10.162 1.00 30.31 H new ATOM 0 HG LEU A 45 -1.524 4.071 -9.677 1.00 64.14 H new ATOM 0 HD11 LEU A 45 -1.538 3.436 -7.296 1.00 2.31 H new ATOM 0 HD12 LEU A 45 0.108 3.426 -7.973 1.00 2.31 H new ATOM 0 HD13 LEU A 45 -0.419 4.773 -6.938 1.00 2.31 H new ATOM 0 HD21 LEU A 45 -3.236 4.999 -8.167 1.00 63.35 H new ATOM 0 HD22 LEU A 45 -2.185 6.398 -7.843 1.00 63.35 H new ATOM 0 HD23 LEU A 45 -2.830 6.130 -9.480 1.00 63.35 H new ATOM 683 N SER A 46 -0.275 4.592 -12.337 1.00 4.20 N ATOM 684 CA SER A 46 -0.917 3.805 -13.383 1.00 14.33 C ATOM 685 C SER A 46 0.123 3.133 -14.273 1.00 74.52 C ATOM 686 O SER A 46 -0.209 2.292 -15.107 1.00 74.22 O ATOM 687 CB SER A 46 -1.833 4.692 -14.228 1.00 34.13 C ATOM 688 OG SER A 46 -2.844 3.926 -14.859 1.00 71.20 O ATOM 0 H SER A 46 -0.341 5.601 -12.468 1.00 4.20 H new ATOM 0 HA SER A 46 -1.515 3.029 -12.905 1.00 14.33 H new ATOM 0 HB2 SER A 46 -2.290 5.454 -13.597 1.00 34.13 H new ATOM 0 HB3 SER A 46 -1.244 5.214 -14.982 1.00 34.13 H new ATOM 0 HG SER A 46 -2.467 3.074 -15.163 1.00 71.20 H new ATOM 694 N GLU A 47 1.384 3.511 -14.089 1.00 54.41 N ATOM 695 CA GLU A 47 2.473 2.946 -14.877 1.00 4.34 C ATOM 696 C GLU A 47 3.252 1.914 -14.067 1.00 34.14 C ATOM 697 O GLU A 47 4.189 1.293 -14.567 1.00 54.24 O ATOM 698 CB GLU A 47 3.416 4.054 -15.353 1.00 11.12 C ATOM 699 CG GLU A 47 3.475 4.194 -16.864 1.00 13.42 C ATOM 700 CD GLU A 47 4.854 3.903 -17.424 1.00 13.24 C ATOM 701 OE1 GLU A 47 5.850 4.287 -16.777 1.00 43.31 O ATOM 702 OE2 GLU A 47 4.936 3.291 -18.510 1.00 23.24 O ATOM 0 H GLU A 47 1.677 4.206 -13.402 1.00 54.41 H new ATOM 0 HA GLU A 47 2.039 2.449 -15.745 1.00 4.34 H new ATOM 0 HB2 GLU A 47 3.096 5.002 -14.921 1.00 11.12 H new ATOM 0 HB3 GLU A 47 4.419 3.853 -14.976 1.00 11.12 H new ATOM 0 HG2 GLU A 47 2.753 3.515 -17.316 1.00 13.42 H new ATOM 0 HG3 GLU A 47 3.180 5.205 -17.143 1.00 13.42 H new ATOM 709 N VAL A 48 2.856 1.736 -12.809 1.00 42.52 N ATOM 710 CA VAL A 48 3.515 0.779 -11.929 1.00 73.22 C ATOM 711 C VAL A 48 2.528 -0.261 -11.412 1.00 23.34 C ATOM 712 O VAL A 48 2.894 -1.411 -11.165 1.00 41.13 O ATOM 713 CB VAL A 48 4.177 1.484 -10.730 1.00 61.21 C ATOM 714 CG1 VAL A 48 5.158 2.543 -11.208 1.00 14.43 C ATOM 715 CG2 VAL A 48 3.120 2.094 -9.822 1.00 5.53 C ATOM 0 H VAL A 48 2.083 2.242 -12.378 1.00 42.52 H new ATOM 0 HA VAL A 48 4.285 0.283 -12.520 1.00 73.22 H new ATOM 0 HB VAL A 48 4.733 0.743 -10.156 1.00 61.21 H new ATOM 0 HG11 VAL A 48 5.616 3.030 -10.347 1.00 14.43 H new ATOM 0 HG12 VAL A 48 5.933 2.074 -11.814 1.00 14.43 H new ATOM 0 HG13 VAL A 48 4.629 3.285 -11.806 1.00 14.43 H new ATOM 0 HG21 VAL A 48 3.605 2.588 -8.980 1.00 5.53 H new ATOM 0 HG22 VAL A 48 2.535 2.823 -10.383 1.00 5.53 H new ATOM 0 HG23 VAL A 48 2.461 1.308 -9.451 1.00 5.53 H new ATOM 725 N VAL A 49 1.274 0.149 -11.249 1.00 63.01 N ATOM 726 CA VAL A 49 0.233 -0.749 -10.762 1.00 52.32 C ATOM 727 C VAL A 49 -0.063 -1.847 -11.777 1.00 22.54 C ATOM 728 O VAL A 49 -0.728 -2.834 -11.461 1.00 20.21 O ATOM 729 CB VAL A 49 -1.068 0.017 -10.456 1.00 72.11 C ATOM 730 CG1 VAL A 49 -0.858 0.990 -9.306 1.00 65.02 C ATOM 731 CG2 VAL A 49 -1.564 0.743 -11.697 1.00 72.11 C ATOM 0 H VAL A 49 0.954 1.097 -11.447 1.00 63.01 H new ATOM 0 HA VAL A 49 0.606 -1.200 -9.842 1.00 52.32 H new ATOM 0 HB VAL A 49 -1.830 -0.702 -10.156 1.00 72.11 H new ATOM 0 HG11 VAL A 49 -1.788 1.522 -9.105 1.00 65.02 H new ATOM 0 HG12 VAL A 49 -0.554 0.440 -8.415 1.00 65.02 H new ATOM 0 HG13 VAL A 49 -0.081 1.706 -9.573 1.00 65.02 H new ATOM 0 HG21 VAL A 49 -2.484 1.279 -11.462 1.00 72.11 H new ATOM 0 HG22 VAL A 49 -0.806 1.452 -12.031 1.00 72.11 H new ATOM 0 HG23 VAL A 49 -1.758 0.019 -12.489 1.00 72.11 H new ATOM 741 N ASP A 50 0.436 -1.671 -12.995 1.00 11.14 N ATOM 742 CA ASP A 50 0.226 -2.649 -14.056 1.00 41.32 C ATOM 743 C ASP A 50 1.034 -3.916 -13.795 1.00 30.10 C ATOM 744 O ASP A 50 0.713 -4.986 -14.311 1.00 33.34 O ATOM 745 CB ASP A 50 0.611 -2.053 -15.411 1.00 25.42 C ATOM 746 CG ASP A 50 -0.358 -2.440 -16.510 1.00 65.33 C ATOM 747 OD1 ASP A 50 -1.551 -2.084 -16.404 1.00 25.31 O ATOM 748 OD2 ASP A 50 0.077 -3.100 -17.478 1.00 53.43 O ATOM 0 H ASP A 50 0.989 -0.860 -13.272 1.00 11.14 H new ATOM 0 HA ASP A 50 -0.832 -2.911 -14.071 1.00 41.32 H new ATOM 0 HB2 ASP A 50 0.648 -0.967 -15.329 1.00 25.42 H new ATOM 0 HB3 ASP A 50 1.613 -2.387 -15.680 1.00 25.42 H new ATOM 753 N ARG A 51 2.086 -3.786 -12.992 1.00 73.20 N ATOM 754 CA ARG A 51 2.942 -4.920 -12.665 1.00 11.21 C ATOM 755 C ARG A 51 2.924 -5.198 -11.165 1.00 35.30 C ATOM 756 O ARG A 51 3.002 -6.350 -10.736 1.00 72.43 O ATOM 757 CB ARG A 51 4.375 -4.654 -13.127 1.00 40.33 C ATOM 758 CG ARG A 51 4.900 -3.283 -12.731 1.00 73.21 C ATOM 759 CD ARG A 51 4.586 -2.239 -13.791 1.00 44.22 C ATOM 760 NE ARG A 51 5.795 -1.590 -14.293 1.00 54.42 N ATOM 761 CZ ARG A 51 5.856 -0.952 -15.457 1.00 21.43 C ATOM 762 NH1 ARG A 51 4.785 -0.880 -16.235 1.00 2.45 N ATOM 763 NH2 ARG A 51 6.993 -0.387 -15.845 1.00 12.01 N ATOM 0 H ARG A 51 2.365 -2.907 -12.556 1.00 73.20 H new ATOM 0 HA ARG A 51 2.557 -5.797 -13.185 1.00 11.21 H new ATOM 0 HB2 ARG A 51 5.030 -5.419 -12.709 1.00 40.33 H new ATOM 0 HB3 ARG A 51 4.422 -4.752 -14.212 1.00 40.33 H new ATOM 0 HG2 ARG A 51 4.457 -2.983 -11.781 1.00 73.21 H new ATOM 0 HG3 ARG A 51 5.978 -3.335 -12.578 1.00 73.21 H new ATOM 0 HD2 ARG A 51 4.057 -2.711 -14.619 1.00 44.22 H new ATOM 0 HD3 ARG A 51 3.917 -1.487 -13.372 1.00 44.22 H new ATOM 0 HE ARG A 51 6.637 -1.629 -13.719 1.00 54.42 H new ATOM 0 HH11 ARG A 51 3.911 -1.315 -15.941 1.00 2.45 H new ATOM 0 HH12 ARG A 51 4.835 -0.389 -17.128 1.00 2.45 H new ATOM 0 HH21 ARG A 51 7.819 -0.443 -15.250 1.00 12.01 H new ATOM 0 HH22 ARG A 51 7.040 0.103 -16.738 1.00 12.01 H new ATOM 777 N PHE A 52 2.820 -4.137 -10.372 1.00 31.14 N ATOM 778 CA PHE A 52 2.794 -4.268 -8.920 1.00 34.01 C ATOM 779 C PHE A 52 1.734 -5.275 -8.484 1.00 21.32 C ATOM 780 O PHE A 52 0.923 -5.729 -9.291 1.00 11.51 O ATOM 781 CB PHE A 52 2.520 -2.910 -8.269 1.00 45.01 C ATOM 782 CG PHE A 52 3.761 -2.218 -7.782 1.00 42.04 C ATOM 783 CD1 PHE A 52 4.523 -2.767 -6.764 1.00 31.45 C ATOM 784 CD2 PHE A 52 4.166 -1.017 -8.344 1.00 60.31 C ATOM 785 CE1 PHE A 52 5.666 -2.134 -6.314 1.00 53.43 C ATOM 786 CE2 PHE A 52 5.308 -0.379 -7.898 1.00 61.24 C ATOM 787 CZ PHE A 52 6.058 -0.937 -6.882 1.00 2.25 C ATOM 0 H PHE A 52 2.752 -3.177 -10.710 1.00 31.14 H new ATOM 0 HA PHE A 52 3.770 -4.629 -8.595 1.00 34.01 H new ATOM 0 HB2 PHE A 52 2.013 -2.267 -8.988 1.00 45.01 H new ATOM 0 HB3 PHE A 52 1.838 -3.049 -7.430 1.00 45.01 H new ATOM 0 HD1 PHE A 52 4.220 -3.702 -6.316 1.00 31.45 H new ATOM 0 HD2 PHE A 52 3.583 -0.575 -9.139 1.00 60.31 H new ATOM 0 HE1 PHE A 52 6.252 -2.574 -5.520 1.00 53.43 H new ATOM 0 HE2 PHE A 52 5.614 0.556 -8.344 1.00 61.24 H new ATOM 0 HZ PHE A 52 6.950 -0.439 -6.532 1.00 2.25 H new ATOM 797 N ASP A 53 1.748 -5.622 -7.201 1.00 63.33 N ATOM 798 CA ASP A 53 0.789 -6.576 -6.656 1.00 53.44 C ATOM 799 C ASP A 53 -0.397 -5.852 -6.025 1.00 31.52 C ATOM 800 O ASP A 53 -1.493 -5.831 -6.584 1.00 34.21 O ATOM 801 CB ASP A 53 1.464 -7.475 -5.619 1.00 52.12 C ATOM 802 CG ASP A 53 2.601 -8.286 -6.210 1.00 0.22 C ATOM 803 OD1 ASP A 53 3.725 -7.749 -6.308 1.00 51.24 O ATOM 804 OD2 ASP A 53 2.368 -9.458 -6.573 1.00 13.54 O ATOM 0 H ASP A 53 2.413 -5.257 -6.519 1.00 63.33 H new ATOM 0 HA ASP A 53 0.422 -7.194 -7.476 1.00 53.44 H new ATOM 0 HB2 ASP A 53 1.845 -6.861 -4.803 1.00 52.12 H new ATOM 0 HB3 ASP A 53 0.724 -8.151 -5.191 1.00 52.12 H new ATOM 809 N VAL A 54 -0.170 -5.262 -4.856 1.00 31.30 N ATOM 810 CA VAL A 54 -1.219 -4.538 -4.148 1.00 73.20 C ATOM 811 C VAL A 54 -0.969 -3.035 -4.182 1.00 50.33 C ATOM 812 O VAL A 54 0.158 -2.586 -4.393 1.00 61.33 O ATOM 813 CB VAL A 54 -1.325 -4.996 -2.681 1.00 13.30 C ATOM 814 CG1 VAL A 54 -0.131 -4.501 -1.879 1.00 12.11 C ATOM 815 CG2 VAL A 54 -2.629 -4.511 -2.066 1.00 30.44 C ATOM 0 H VAL A 54 0.731 -5.271 -4.379 1.00 31.30 H new ATOM 0 HA VAL A 54 -2.156 -4.759 -4.659 1.00 73.20 H new ATOM 0 HB VAL A 54 -1.321 -6.086 -2.657 1.00 13.30 H new ATOM 0 HG11 VAL A 54 -0.224 -4.834 -0.845 1.00 12.11 H new ATOM 0 HG12 VAL A 54 0.787 -4.902 -2.309 1.00 12.11 H new ATOM 0 HG13 VAL A 54 -0.100 -3.412 -1.908 1.00 12.11 H new ATOM 0 HG21 VAL A 54 -2.688 -4.843 -1.030 1.00 30.44 H new ATOM 0 HG22 VAL A 54 -2.665 -3.422 -2.101 1.00 30.44 H new ATOM 0 HG23 VAL A 54 -3.470 -4.920 -2.626 1.00 30.44 H new ATOM 825 N VAL A 55 -2.028 -2.259 -3.974 1.00 33.20 N ATOM 826 CA VAL A 55 -1.924 -0.805 -3.980 1.00 12.53 C ATOM 827 C VAL A 55 -2.436 -0.212 -2.672 1.00 62.44 C ATOM 828 O VAL A 55 -3.416 -0.693 -2.101 1.00 53.31 O ATOM 829 CB VAL A 55 -2.711 -0.190 -5.152 1.00 61.05 C ATOM 830 CG1 VAL A 55 -2.430 1.301 -5.261 1.00 61.42 C ATOM 831 CG2 VAL A 55 -2.370 -0.902 -6.453 1.00 64.01 C ATOM 0 H VAL A 55 -2.968 -2.614 -3.799 1.00 33.20 H new ATOM 0 HA VAL A 55 -0.867 -0.564 -4.096 1.00 12.53 H new ATOM 0 HB VAL A 55 -3.776 -0.321 -4.960 1.00 61.05 H new ATOM 0 HG11 VAL A 55 -2.995 1.718 -6.095 1.00 61.42 H new ATOM 0 HG12 VAL A 55 -2.729 1.796 -4.337 1.00 61.42 H new ATOM 0 HG13 VAL A 55 -1.365 1.459 -5.430 1.00 61.42 H new ATOM 0 HG21 VAL A 55 -2.935 -0.455 -7.271 1.00 64.01 H new ATOM 0 HG22 VAL A 55 -1.303 -0.804 -6.653 1.00 64.01 H new ATOM 0 HG23 VAL A 55 -2.628 -1.958 -6.368 1.00 64.01 H new ATOM 841 N LEU A 56 -1.768 0.836 -2.202 1.00 71.02 N ATOM 842 CA LEU A 56 -2.156 1.497 -0.961 1.00 22.51 C ATOM 843 C LEU A 56 -2.166 3.012 -1.131 1.00 23.35 C ATOM 844 O LEU A 56 -1.214 3.595 -1.652 1.00 30.12 O ATOM 845 CB LEU A 56 -1.202 1.104 0.169 1.00 45.12 C ATOM 846 CG LEU A 56 -1.739 0.089 1.179 1.00 5.23 C ATOM 847 CD1 LEU A 56 -0.734 -1.031 1.395 1.00 24.45 C ATOM 848 CD2 LEU A 56 -2.070 0.774 2.497 1.00 61.00 C ATOM 0 H LEU A 56 -0.955 1.246 -2.662 1.00 71.02 H new ATOM 0 HA LEU A 56 -3.165 1.173 -0.705 1.00 22.51 H new ATOM 0 HB2 LEU A 56 -0.293 0.699 -0.275 1.00 45.12 H new ATOM 0 HB3 LEU A 56 -0.918 2.008 0.708 1.00 45.12 H new ATOM 0 HG LEU A 56 -2.655 -0.346 0.778 1.00 5.23 H new ATOM 0 HD11 LEU A 56 -1.133 -1.744 2.117 1.00 24.45 H new ATOM 0 HD12 LEU A 56 -0.546 -1.539 0.449 1.00 24.45 H new ATOM 0 HD13 LEU A 56 0.199 -0.614 1.774 1.00 24.45 H new ATOM 0 HD21 LEU A 56 -2.451 0.037 3.204 1.00 61.00 H new ATOM 0 HD22 LEU A 56 -1.170 1.236 2.903 1.00 61.00 H new ATOM 0 HD23 LEU A 56 -2.827 1.540 2.329 1.00 61.00 H new ATOM 860 N LEU A 57 -3.244 3.645 -0.684 1.00 55.45 N ATOM 861 CA LEU A 57 -3.377 5.094 -0.785 1.00 10.32 C ATOM 862 C LEU A 57 -3.105 5.760 0.560 1.00 4.20 C ATOM 863 O LEU A 57 -3.484 5.241 1.609 1.00 24.13 O ATOM 864 CB LEU A 57 -4.777 5.465 -1.275 1.00 55.33 C ATOM 865 CG LEU A 57 -4.905 5.779 -2.767 1.00 3.23 C ATOM 866 CD1 LEU A 57 -4.288 7.133 -3.082 1.00 63.42 C ATOM 867 CD2 LEU A 57 -4.251 4.686 -3.600 1.00 31.03 C ATOM 0 H LEU A 57 -4.039 3.178 -0.248 1.00 55.45 H new ATOM 0 HA LEU A 57 -2.640 5.452 -1.504 1.00 10.32 H new ATOM 0 HB2 LEU A 57 -5.453 4.643 -1.038 1.00 55.33 H new ATOM 0 HB3 LEU A 57 -5.120 6.332 -0.711 1.00 55.33 H new ATOM 0 HG LEU A 57 -5.964 5.817 -3.021 1.00 3.23 H new ATOM 0 HD11 LEU A 57 -4.388 7.339 -4.148 1.00 63.42 H new ATOM 0 HD12 LEU A 57 -4.801 7.908 -2.512 1.00 63.42 H new ATOM 0 HD13 LEU A 57 -3.232 7.123 -2.812 1.00 63.42 H new ATOM 0 HD21 LEU A 57 -4.352 4.926 -4.659 1.00 31.03 H new ATOM 0 HD22 LEU A 57 -3.194 4.616 -3.343 1.00 31.03 H new ATOM 0 HD23 LEU A 57 -4.738 3.732 -3.396 1.00 31.03 H new ATOM 879 N ALA A 58 -2.447 6.915 0.521 1.00 72.24 N ATOM 880 CA ALA A 58 -2.128 7.654 1.736 1.00 62.15 C ATOM 881 C ALA A 58 -3.260 8.601 2.116 1.00 54.33 C ATOM 882 O ALA A 58 -4.109 8.953 1.296 1.00 3.22 O ATOM 883 CB ALA A 58 -0.828 8.426 1.558 1.00 74.22 C ATOM 0 H ALA A 58 -2.125 7.358 -0.339 1.00 72.24 H new ATOM 0 HA ALA A 58 -2.003 6.936 2.546 1.00 62.15 H new ATOM 0 HB1 ALA A 58 -0.602 8.973 2.473 1.00 74.22 H new ATOM 0 HB2 ALA A 58 -0.018 7.729 1.342 1.00 74.22 H new ATOM 0 HB3 ALA A 58 -0.932 9.129 0.731 1.00 74.22 H new ATOM 889 N PRO A 59 -3.278 9.024 3.388 1.00 23.24 N ATOM 890 CA PRO A 59 -4.301 9.936 3.906 1.00 52.02 C ATOM 891 C PRO A 59 -4.164 11.345 3.337 1.00 75.22 C ATOM 892 O PRO A 59 -3.231 11.632 2.589 1.00 51.23 O ATOM 893 CB PRO A 59 -4.043 9.941 5.415 1.00 43.12 C ATOM 894 CG PRO A 59 -2.603 9.585 5.553 1.00 45.30 C ATOM 895 CD PRO A 59 -2.298 8.645 4.420 1.00 64.10 C ATOM 0 HA PRO A 59 -5.307 9.616 3.633 1.00 52.02 H new ATOM 0 HB2 PRO A 59 -4.253 10.918 5.849 1.00 43.12 H new ATOM 0 HB3 PRO A 59 -4.680 9.221 5.928 1.00 43.12 H new ATOM 0 HG2 PRO A 59 -1.975 10.474 5.502 1.00 45.30 H new ATOM 0 HG3 PRO A 59 -2.409 9.112 6.516 1.00 45.30 H new ATOM 0 HD2 PRO A 59 -1.274 8.763 4.065 1.00 64.10 H new ATOM 0 HD3 PRO A 59 -2.413 7.603 4.720 1.00 64.10 H new ATOM 903 N GLN A 60 -5.100 12.217 3.698 1.00 1.21 N ATOM 904 CA GLN A 60 -5.081 13.596 3.222 1.00 74.51 C ATOM 905 C GLN A 60 -5.250 13.651 1.708 1.00 63.15 C ATOM 906 O GLN A 60 -4.825 14.608 1.060 1.00 11.33 O ATOM 907 CB GLN A 60 -3.775 14.280 3.627 1.00 14.24 C ATOM 908 CG GLN A 60 -3.907 15.784 3.810 1.00 73.41 C ATOM 909 CD GLN A 60 -2.599 16.441 4.205 1.00 73.24 C ATOM 910 OE1 GLN A 60 -1.616 16.387 3.464 1.00 34.15 O ATOM 911 NE2 GLN A 60 -2.581 17.067 5.375 1.00 54.41 N ATOM 0 H GLN A 60 -5.879 11.994 4.317 1.00 1.21 H new ATOM 0 HA GLN A 60 -5.916 14.124 3.682 1.00 74.51 H new ATOM 0 HB2 GLN A 60 -3.417 13.839 4.557 1.00 14.24 H new ATOM 0 HB3 GLN A 60 -3.019 14.080 2.868 1.00 14.24 H new ATOM 0 HG2 GLN A 60 -4.267 16.229 2.882 1.00 73.41 H new ATOM 0 HG3 GLN A 60 -4.657 15.989 4.574 1.00 73.41 H new ATOM 0 HE21 GLN A 60 -3.419 17.086 5.956 1.00 54.41 H new ATOM 0 HE22 GLN A 60 -1.729 17.529 5.693 1.00 54.41 H new ATOM 920 N SER A 61 -5.872 12.618 1.148 1.00 5.43 N ATOM 921 CA SER A 61 -6.092 12.547 -0.292 1.00 1.34 C ATOM 922 C SER A 61 -7.538 12.891 -0.637 1.00 40.12 C ATOM 923 O SER A 61 -8.456 12.121 -0.355 1.00 24.31 O ATOM 924 CB SER A 61 -5.750 11.150 -0.813 1.00 75.23 C ATOM 925 OG SER A 61 -6.258 10.146 0.049 1.00 42.24 O ATOM 0 H SER A 61 -6.232 11.819 1.670 1.00 5.43 H new ATOM 0 HA SER A 61 -5.438 13.276 -0.772 1.00 1.34 H new ATOM 0 HB2 SER A 61 -6.165 11.020 -1.813 1.00 75.23 H new ATOM 0 HB3 SER A 61 -4.669 11.046 -0.900 1.00 75.23 H new ATOM 0 HG SER A 61 -5.513 9.648 0.446 1.00 42.24 H new ATOM 931 N ARG A 62 -7.732 14.054 -1.251 1.00 0.51 N ATOM 932 CA ARG A 62 -9.065 14.502 -1.634 1.00 10.33 C ATOM 933 C ARG A 62 -9.402 14.055 -3.054 1.00 3.23 C ATOM 934 O ARG A 62 -10.300 13.239 -3.261 1.00 41.53 O ATOM 935 CB ARG A 62 -9.163 16.026 -1.532 1.00 13.14 C ATOM 936 CG ARG A 62 -10.591 16.539 -1.435 1.00 2.03 C ATOM 937 CD ARG A 62 -10.820 17.308 -0.143 1.00 1.20 C ATOM 938 NE ARG A 62 -12.236 17.571 0.094 1.00 40.32 N ATOM 939 CZ ARG A 62 -12.683 18.397 1.033 1.00 14.31 C ATOM 940 NH1 ARG A 62 -11.829 19.037 1.820 1.00 34.51 N ATOM 941 NH2 ARG A 62 -13.989 18.585 1.187 1.00 24.34 N ATOM 0 H ARG A 62 -6.983 14.702 -1.494 1.00 0.51 H new ATOM 0 HA ARG A 62 -9.783 14.051 -0.949 1.00 10.33 H new ATOM 0 HB2 ARG A 62 -8.606 16.360 -0.657 1.00 13.14 H new ATOM 0 HB3 ARG A 62 -8.684 16.472 -2.404 1.00 13.14 H new ATOM 0 HG2 ARG A 62 -10.806 17.184 -2.287 1.00 2.03 H new ATOM 0 HG3 ARG A 62 -11.285 15.700 -1.488 1.00 2.03 H new ATOM 0 HD2 ARG A 62 -10.412 16.741 0.694 1.00 1.20 H new ATOM 0 HD3 ARG A 62 -10.278 18.253 -0.183 1.00 1.20 H new ATOM 0 HE ARG A 62 -12.920 17.094 -0.494 1.00 40.32 H new ATOM 0 HH11 ARG A 62 -10.825 18.896 1.705 1.00 34.51 H new ATOM 0 HH12 ARG A 62 -12.176 19.671 2.540 1.00 34.51 H new ATOM 0 HH21 ARG A 62 -14.649 18.095 0.584 1.00 24.34 H new ATOM 0 HH22 ARG A 62 -14.331 19.220 1.908 1.00 24.34 H new ATOM 955 N PHE A 63 -8.676 14.595 -4.026 1.00 40.13 N ATOM 956 CA PHE A 63 -8.897 14.253 -5.426 1.00 54.02 C ATOM 957 C PHE A 63 -8.261 12.908 -5.765 1.00 40.25 C ATOM 958 O PHE A 63 -8.823 12.116 -6.521 1.00 32.33 O ATOM 959 CB PHE A 63 -8.329 15.343 -6.337 1.00 22.21 C ATOM 960 CG PHE A 63 -8.816 16.722 -5.996 1.00 45.41 C ATOM 961 CD1 PHE A 63 -10.144 17.069 -6.183 1.00 20.54 C ATOM 962 CD2 PHE A 63 -7.943 17.673 -5.490 1.00 14.13 C ATOM 963 CE1 PHE A 63 -10.594 18.338 -5.871 1.00 71.51 C ATOM 964 CE2 PHE A 63 -8.388 18.944 -5.176 1.00 21.41 C ATOM 965 CZ PHE A 63 -9.715 19.276 -5.366 1.00 21.20 C ATOM 0 H PHE A 63 -7.929 15.272 -3.870 1.00 40.13 H new ATOM 0 HA PHE A 63 -9.972 14.178 -5.589 1.00 54.02 H new ATOM 0 HB2 PHE A 63 -7.241 15.325 -6.277 1.00 22.21 H new ATOM 0 HB3 PHE A 63 -8.595 15.117 -7.370 1.00 22.21 H new ATOM 0 HD1 PHE A 63 -10.836 16.339 -6.577 1.00 20.54 H new ATOM 0 HD2 PHE A 63 -6.904 17.418 -5.340 1.00 14.13 H new ATOM 0 HE1 PHE A 63 -11.632 18.596 -6.022 1.00 71.51 H new ATOM 0 HE2 PHE A 63 -7.699 19.676 -4.783 1.00 21.41 H new ATOM 0 HZ PHE A 63 -10.065 20.268 -5.120 1.00 21.20 H new ATOM 975 N ASN A 64 -7.084 12.658 -5.201 1.00 34.35 N ATOM 976 CA ASN A 64 -6.370 11.410 -5.443 1.00 72.23 C ATOM 977 C ASN A 64 -7.200 10.211 -4.994 1.00 42.22 C ATOM 978 O ASN A 64 -7.385 9.254 -5.744 1.00 72.34 O ATOM 979 CB ASN A 64 -5.026 11.417 -4.711 1.00 62.20 C ATOM 980 CG ASN A 64 -3.864 11.100 -5.633 1.00 14.24 C ATOM 981 OD1 ASN A 64 -3.151 11.997 -6.081 1.00 52.25 O ATOM 982 ND2 ASN A 64 -3.670 9.818 -5.919 1.00 64.10 N ATOM 0 H ASN A 64 -6.605 13.303 -4.573 1.00 34.35 H new ATOM 0 HA ASN A 64 -6.192 11.325 -6.515 1.00 72.23 H new ATOM 0 HB2 ASN A 64 -4.869 12.395 -4.255 1.00 62.20 H new ATOM 0 HB3 ASN A 64 -5.053 10.688 -3.901 1.00 62.20 H new ATOM 0 HD21 ASN A 64 -2.904 9.543 -6.534 1.00 64.10 H new ATOM 0 HD22 ASN A 64 -4.287 9.108 -5.524 1.00 64.10 H new ATOM 989 N LYS A 65 -7.699 10.272 -3.764 1.00 2.13 N ATOM 990 CA LYS A 65 -8.512 9.194 -3.213 1.00 44.31 C ATOM 991 C LYS A 65 -9.723 8.919 -4.099 1.00 31.11 C ATOM 992 O LYS A 65 -9.935 7.791 -4.545 1.00 41.20 O ATOM 993 CB LYS A 65 -8.971 9.547 -1.796 1.00 53.13 C ATOM 994 CG LYS A 65 -10.068 8.638 -1.269 1.00 52.35 C ATOM 995 CD LYS A 65 -10.151 8.685 0.247 1.00 2.52 C ATOM 996 CE LYS A 65 -10.937 7.507 0.800 1.00 1.22 C ATOM 997 NZ LYS A 65 -11.491 7.795 2.152 1.00 74.53 N ATOM 0 H LYS A 65 -7.554 11.057 -3.129 1.00 2.13 H new ATOM 0 HA LYS A 65 -7.900 8.293 -3.175 1.00 44.31 H new ATOM 0 HB2 LYS A 65 -8.115 9.498 -1.123 1.00 53.13 H new ATOM 0 HB3 LYS A 65 -9.327 10.577 -1.784 1.00 53.13 H new ATOM 0 HG2 LYS A 65 -11.025 8.936 -1.696 1.00 52.35 H new ATOM 0 HG3 LYS A 65 -9.880 7.614 -1.592 1.00 52.35 H new ATOM 0 HD2 LYS A 65 -9.145 8.682 0.668 1.00 2.52 H new ATOM 0 HD3 LYS A 65 -10.624 9.617 0.558 1.00 2.52 H new ATOM 0 HE2 LYS A 65 -11.752 7.262 0.118 1.00 1.22 H new ATOM 0 HE3 LYS A 65 -10.290 6.631 0.852 1.00 1.22 H new ATOM 0 HZ1 LYS A 65 -12.020 6.967 2.494 1.00 74.53 H new ATOM 0 HZ2 LYS A 65 -10.712 8.004 2.809 1.00 74.53 H new ATOM 0 HZ3 LYS A 65 -12.128 8.615 2.099 1.00 74.53 H new ATOM 1011 N LYS A 66 -10.514 9.956 -4.350 1.00 2.32 N ATOM 1012 CA LYS A 66 -11.703 9.828 -5.185 1.00 25.44 C ATOM 1013 C LYS A 66 -11.362 9.171 -6.518 1.00 34.30 C ATOM 1014 O LYS A 66 -12.002 8.200 -6.923 1.00 73.43 O ATOM 1015 CB LYS A 66 -12.332 11.202 -5.426 1.00 12.31 C ATOM 1016 CG LYS A 66 -13.602 11.151 -6.259 1.00 4.21 C ATOM 1017 CD LYS A 66 -14.824 10.884 -5.397 1.00 11.32 C ATOM 1018 CE LYS A 66 -15.943 10.243 -6.202 1.00 33.55 C ATOM 1019 NZ LYS A 66 -15.606 8.851 -6.611 1.00 65.31 N ATOM 0 H LYS A 66 -10.353 10.896 -3.987 1.00 2.32 H new ATOM 0 HA LYS A 66 -12.419 9.195 -4.661 1.00 25.44 H new ATOM 0 HB2 LYS A 66 -12.556 11.664 -4.464 1.00 12.31 H new ATOM 0 HB3 LYS A 66 -11.605 11.843 -5.925 1.00 12.31 H new ATOM 0 HG2 LYS A 66 -13.729 12.095 -6.789 1.00 4.21 H new ATOM 0 HG3 LYS A 66 -13.511 10.371 -7.015 1.00 4.21 H new ATOM 0 HD2 LYS A 66 -14.550 10.231 -4.568 1.00 11.32 H new ATOM 0 HD3 LYS A 66 -15.176 11.820 -4.963 1.00 11.32 H new ATOM 0 HE2 LYS A 66 -16.858 10.236 -5.610 1.00 33.55 H new ATOM 0 HE3 LYS A 66 -16.142 10.844 -7.089 1.00 33.55 H new ATOM 0 HZ1 LYS A 66 -16.481 8.328 -6.815 1.00 65.31 H new ATOM 0 HZ2 LYS A 66 -15.010 8.874 -7.463 1.00 65.31 H new ATOM 0 HZ3 LYS A 66 -15.091 8.378 -5.841 1.00 65.31 H new ATOM 1033 N ARG A 67 -10.353 9.706 -7.196 1.00 4.30 N ATOM 1034 CA ARG A 67 -9.928 9.171 -8.483 1.00 61.03 C ATOM 1035 C ARG A 67 -9.517 7.707 -8.355 1.00 21.11 C ATOM 1036 O ARG A 67 -10.049 6.839 -9.048 1.00 73.22 O ATOM 1037 CB ARG A 67 -8.763 9.991 -9.042 1.00 31.24 C ATOM 1038 CG ARG A 67 -9.187 11.327 -9.630 1.00 51.12 C ATOM 1039 CD ARG A 67 -9.028 11.346 -11.142 1.00 60.52 C ATOM 1040 NE ARG A 67 -10.254 10.943 -11.827 1.00 4.01 N ATOM 1041 CZ ARG A 67 -10.410 10.995 -13.144 1.00 74.23 C ATOM 1042 NH1 ARG A 67 -9.424 11.430 -13.916 1.00 74.20 N ATOM 1043 NH2 ARG A 67 -11.556 10.611 -13.693 1.00 53.45 N ATOM 0 H ARG A 67 -9.814 10.510 -6.875 1.00 4.30 H new ATOM 0 HA ARG A 67 -10.772 9.235 -9.170 1.00 61.03 H new ATOM 0 HB2 ARG A 67 -8.039 10.167 -8.247 1.00 31.24 H new ATOM 0 HB3 ARG A 67 -8.256 9.409 -9.812 1.00 31.24 H new ATOM 0 HG2 ARG A 67 -10.227 11.527 -9.370 1.00 51.12 H new ATOM 0 HG3 ARG A 67 -8.589 12.125 -9.190 1.00 51.12 H new ATOM 0 HD2 ARG A 67 -8.746 12.348 -11.464 1.00 60.52 H new ATOM 0 HD3 ARG A 67 -8.216 10.678 -11.429 1.00 60.52 H new ATOM 0 HE ARG A 67 -11.032 10.603 -11.262 1.00 4.01 H new ATOM 0 HH11 ARG A 67 -8.542 11.726 -13.498 1.00 74.20 H new ATOM 0 HH12 ARG A 67 -9.547 11.469 -14.928 1.00 74.20 H new ATOM 0 HH21 ARG A 67 -12.317 10.276 -13.103 1.00 53.45 H new ATOM 0 HH22 ARG A 67 -11.675 10.651 -14.705 1.00 53.45 H new ATOM 1057 N LEU A 68 -8.567 7.440 -7.466 1.00 42.33 N ATOM 1058 CA LEU A 68 -8.083 6.082 -7.247 1.00 34.52 C ATOM 1059 C LEU A 68 -9.245 5.124 -6.999 1.00 61.25 C ATOM 1060 O LEU A 68 -9.186 3.953 -7.375 1.00 14.20 O ATOM 1061 CB LEU A 68 -7.118 6.048 -6.061 1.00 73.22 C ATOM 1062 CG LEU A 68 -5.631 6.133 -6.403 1.00 64.21 C ATOM 1063 CD1 LEU A 68 -5.159 4.845 -7.063 1.00 54.40 C ATOM 1064 CD2 LEU A 68 -5.358 7.327 -7.306 1.00 55.24 C ATOM 0 H LEU A 68 -8.116 8.147 -6.885 1.00 42.33 H new ATOM 0 HA LEU A 68 -7.556 5.761 -8.145 1.00 34.52 H new ATOM 0 HB2 LEU A 68 -7.365 6.874 -5.394 1.00 73.22 H new ATOM 0 HB3 LEU A 68 -7.290 5.127 -5.505 1.00 73.22 H new ATOM 0 HG LEU A 68 -5.073 6.268 -5.476 1.00 64.21 H new ATOM 0 HD11 LEU A 68 -4.098 4.925 -7.299 1.00 54.40 H new ATOM 0 HD12 LEU A 68 -5.317 4.008 -6.383 1.00 54.40 H new ATOM 0 HD13 LEU A 68 -5.723 4.678 -7.981 1.00 54.40 H new ATOM 0 HD21 LEU A 68 -4.294 7.371 -7.539 1.00 55.24 H new ATOM 0 HD22 LEU A 68 -5.928 7.223 -8.229 1.00 55.24 H new ATOM 0 HD23 LEU A 68 -5.657 8.244 -6.797 1.00 55.24 H new ATOM 1076 N GLU A 69 -10.299 5.630 -6.367 1.00 44.15 N ATOM 1077 CA GLU A 69 -11.474 4.820 -6.072 1.00 64.44 C ATOM 1078 C GLU A 69 -12.242 4.490 -7.348 1.00 75.05 C ATOM 1079 O GLU A 69 -12.455 3.322 -7.673 1.00 4.02 O ATOM 1080 CB GLU A 69 -12.390 5.548 -5.087 1.00 1.53 C ATOM 1081 CG GLU A 69 -11.781 5.721 -3.705 1.00 72.23 C ATOM 1082 CD GLU A 69 -12.501 4.910 -2.645 1.00 20.14 C ATOM 1083 OE1 GLU A 69 -12.287 3.680 -2.591 1.00 41.25 O ATOM 1084 OE2 GLU A 69 -13.278 5.504 -1.869 1.00 22.24 O ATOM 0 H GLU A 69 -10.363 6.597 -6.050 1.00 44.15 H new ATOM 0 HA GLU A 69 -11.135 3.888 -5.620 1.00 64.44 H new ATOM 0 HB2 GLU A 69 -12.638 6.529 -5.491 1.00 1.53 H new ATOM 0 HB3 GLU A 69 -13.325 4.995 -4.996 1.00 1.53 H new ATOM 0 HG2 GLU A 69 -10.733 5.424 -3.734 1.00 72.23 H new ATOM 0 HG3 GLU A 69 -11.806 6.775 -3.430 1.00 72.23 H new ATOM 1091 N GLU A 70 -12.657 5.529 -8.068 1.00 33.51 N ATOM 1092 CA GLU A 70 -13.403 5.349 -9.307 1.00 72.15 C ATOM 1093 C GLU A 70 -12.583 4.564 -10.327 1.00 42.43 C ATOM 1094 O GLU A 70 -13.126 4.017 -11.288 1.00 34.33 O ATOM 1095 CB GLU A 70 -13.800 6.706 -9.891 1.00 41.41 C ATOM 1096 CG GLU A 70 -12.622 7.638 -10.119 1.00 13.41 C ATOM 1097 CD GLU A 70 -13.041 8.980 -10.689 1.00 0.23 C ATOM 1098 OE1 GLU A 70 -13.492 9.015 -11.853 1.00 51.03 O ATOM 1099 OE2 GLU A 70 -12.918 9.994 -9.971 1.00 53.23 O ATOM 0 H GLU A 70 -12.489 6.502 -7.814 1.00 33.51 H new ATOM 0 HA GLU A 70 -14.305 4.782 -9.078 1.00 72.15 H new ATOM 0 HB2 GLU A 70 -14.316 6.548 -10.838 1.00 41.41 H new ATOM 0 HB3 GLU A 70 -14.509 7.188 -9.218 1.00 41.41 H new ATOM 0 HG2 GLU A 70 -12.100 7.795 -9.175 1.00 13.41 H new ATOM 0 HG3 GLU A 70 -11.915 7.164 -10.799 1.00 13.41 H new ATOM 1106 N ILE A 71 -11.273 4.516 -10.113 1.00 2.31 N ATOM 1107 CA ILE A 71 -10.378 3.799 -11.012 1.00 21.42 C ATOM 1108 C ILE A 71 -10.168 2.361 -10.549 1.00 54.02 C ATOM 1109 O ILE A 71 -10.060 1.444 -11.363 1.00 5.11 O ATOM 1110 CB ILE A 71 -9.008 4.496 -11.118 1.00 52.30 C ATOM 1111 CG1 ILE A 71 -9.178 5.921 -11.651 1.00 2.32 C ATOM 1112 CG2 ILE A 71 -8.076 3.698 -12.015 1.00 64.21 C ATOM 1113 CD1 ILE A 71 -8.072 6.861 -11.224 1.00 13.32 C ATOM 0 H ILE A 71 -10.808 4.965 -9.324 1.00 2.31 H new ATOM 0 HA ILE A 71 -10.853 3.797 -11.993 1.00 21.42 H new ATOM 0 HB ILE A 71 -8.565 4.549 -10.123 1.00 52.30 H new ATOM 0 HG12 ILE A 71 -9.218 5.891 -12.740 1.00 2.32 H new ATOM 0 HG13 ILE A 71 -10.134 6.317 -11.308 1.00 2.32 H new ATOM 0 HG21 ILE A 71 -7.112 4.203 -12.080 1.00 64.21 H new ATOM 0 HG22 ILE A 71 -7.935 2.701 -11.598 1.00 64.21 H new ATOM 0 HG23 ILE A 71 -8.511 3.617 -13.011 1.00 64.21 H new ATOM 0 HD11 ILE A 71 -8.257 7.852 -11.638 1.00 13.32 H new ATOM 0 HD12 ILE A 71 -8.045 6.921 -10.136 1.00 13.32 H new ATOM 0 HD13 ILE A 71 -7.116 6.488 -11.590 1.00 13.32 H new ATOM 1125 N THR A 72 -10.114 2.171 -9.234 1.00 41.33 N ATOM 1126 CA THR A 72 -9.918 0.845 -8.661 1.00 74.14 C ATOM 1127 C THR A 72 -11.134 -0.042 -8.903 1.00 31.23 C ATOM 1128 O THR A 72 -11.002 -1.243 -9.144 1.00 43.24 O ATOM 1129 CB THR A 72 -9.645 0.922 -7.147 1.00 55.55 C ATOM 1130 OG1 THR A 72 -10.508 1.891 -6.542 1.00 10.11 O ATOM 1131 CG2 THR A 72 -8.193 1.289 -6.877 1.00 55.34 C ATOM 0 H THR A 72 -10.203 2.919 -8.546 1.00 41.33 H new ATOM 0 HA THR A 72 -9.050 0.411 -9.157 1.00 74.14 H new ATOM 0 HB THR A 72 -9.842 -0.059 -6.714 1.00 55.55 H new ATOM 0 HG1 THR A 72 -11.249 2.095 -7.151 1.00 10.11 H new ATOM 0 HG21 THR A 72 -8.024 1.337 -5.801 1.00 55.34 H new ATOM 0 HG22 THR A 72 -7.540 0.534 -7.313 1.00 55.34 H new ATOM 0 HG23 THR A 72 -7.974 2.259 -7.323 1.00 55.34 H new ATOM 1139 N LYS A 73 -12.319 0.554 -8.836 1.00 32.04 N ATOM 1140 CA LYS A 73 -13.560 -0.181 -9.048 1.00 72.34 C ATOM 1141 C LYS A 73 -13.495 -0.997 -10.336 1.00 41.21 C ATOM 1142 O LYS A 73 -13.590 -2.224 -10.328 1.00 42.05 O ATOM 1143 CB LYS A 73 -14.746 0.784 -9.103 1.00 51.12 C ATOM 1144 CG LYS A 73 -15.613 0.752 -7.856 1.00 52.21 C ATOM 1145 CD LYS A 73 -17.075 0.999 -8.187 1.00 73.34 C ATOM 1146 CE LYS A 73 -17.834 1.543 -6.986 1.00 40.43 C ATOM 1147 NZ LYS A 73 -19.210 1.980 -7.351 1.00 73.13 N ATOM 0 H LYS A 73 -12.446 1.546 -8.636 1.00 32.04 H new ATOM 0 HA LYS A 73 -13.695 -0.865 -8.210 1.00 72.34 H new ATOM 0 HB2 LYS A 73 -14.373 1.797 -9.250 1.00 51.12 H new ATOM 0 HB3 LYS A 73 -15.361 0.542 -9.970 1.00 51.12 H new ATOM 0 HG2 LYS A 73 -15.509 -0.215 -7.364 1.00 52.21 H new ATOM 0 HG3 LYS A 73 -15.266 1.507 -7.151 1.00 52.21 H new ATOM 0 HD2 LYS A 73 -17.148 1.704 -9.015 1.00 73.34 H new ATOM 0 HD3 LYS A 73 -17.536 0.069 -8.519 1.00 73.34 H new ATOM 0 HE2 LYS A 73 -17.889 0.776 -6.214 1.00 40.43 H new ATOM 0 HE3 LYS A 73 -17.287 2.384 -6.561 1.00 40.43 H new ATOM 0 HZ1 LYS A 73 -19.694 2.344 -6.506 1.00 73.13 H new ATOM 0 HZ2 LYS A 73 -19.157 2.730 -8.070 1.00 73.13 H new ATOM 0 HZ3 LYS A 73 -19.741 1.172 -7.733 1.00 73.13 H new ATOM 1161 N PRO A 74 -13.328 -0.300 -11.471 1.00 22.42 N ATOM 1162 CA PRO A 74 -13.244 -0.939 -12.787 1.00 62.14 C ATOM 1163 C PRO A 74 -11.953 -1.730 -12.966 1.00 61.04 C ATOM 1164 O PRO A 74 -11.944 -2.792 -13.589 1.00 40.34 O ATOM 1165 CB PRO A 74 -13.288 0.243 -13.759 1.00 22.31 C ATOM 1166 CG PRO A 74 -12.767 1.397 -12.974 1.00 53.23 C ATOM 1167 CD PRO A 74 -13.207 1.165 -11.555 1.00 50.13 C ATOM 0 HA PRO A 74 -14.044 -1.664 -12.940 1.00 62.14 H new ATOM 0 HB2 PRO A 74 -12.675 0.054 -14.640 1.00 22.31 H new ATOM 0 HB3 PRO A 74 -14.303 0.429 -14.111 1.00 22.31 H new ATOM 0 HG2 PRO A 74 -11.681 1.456 -13.041 1.00 53.23 H new ATOM 0 HG3 PRO A 74 -13.161 2.339 -13.356 1.00 53.23 H new ATOM 0 HD2 PRO A 74 -12.479 1.550 -10.841 1.00 50.13 H new ATOM 0 HD3 PRO A 74 -14.155 1.659 -11.342 1.00 50.13 H new ATOM 1175 N LYS A 75 -10.862 -1.206 -12.418 1.00 13.24 N ATOM 1176 CA LYS A 75 -9.564 -1.863 -12.515 1.00 52.45 C ATOM 1177 C LYS A 75 -9.576 -3.202 -11.785 1.00 11.41 C ATOM 1178 O LYS A 75 -8.781 -4.091 -12.086 1.00 70.04 O ATOM 1179 CB LYS A 75 -8.470 -0.962 -11.936 1.00 60.41 C ATOM 1180 CG LYS A 75 -7.995 0.113 -12.897 1.00 32.41 C ATOM 1181 CD LYS A 75 -6.680 -0.269 -13.557 1.00 31.24 C ATOM 1182 CE LYS A 75 -6.905 -0.920 -14.913 1.00 54.02 C ATOM 1183 NZ LYS A 75 -6.809 -2.404 -14.839 1.00 21.20 N ATOM 0 H LYS A 75 -10.851 -0.327 -11.901 1.00 13.24 H new ATOM 0 HA LYS A 75 -9.355 -2.047 -13.569 1.00 52.45 H new ATOM 0 HB2 LYS A 75 -8.845 -0.487 -11.029 1.00 60.41 H new ATOM 0 HB3 LYS A 75 -7.620 -1.579 -11.645 1.00 60.41 H new ATOM 0 HG2 LYS A 75 -8.753 0.278 -13.663 1.00 32.41 H new ATOM 0 HG3 LYS A 75 -7.874 1.054 -12.360 1.00 32.41 H new ATOM 0 HD2 LYS A 75 -6.060 0.620 -13.677 1.00 31.24 H new ATOM 0 HD3 LYS A 75 -6.132 -0.954 -12.910 1.00 31.24 H new ATOM 0 HE2 LYS A 75 -7.887 -0.638 -15.293 1.00 54.02 H new ATOM 0 HE3 LYS A 75 -6.169 -0.543 -15.623 1.00 54.02 H new ATOM 0 HZ1 LYS A 75 -7.195 -2.821 -15.710 1.00 21.20 H new ATOM 0 HZ2 LYS A 75 -5.812 -2.683 -14.734 1.00 21.20 H new ATOM 0 HZ3 LYS A 75 -7.352 -2.747 -14.021 1.00 21.20 H new ATOM 1197 N GLY A 76 -10.484 -3.338 -10.823 1.00 73.11 N ATOM 1198 CA GLY A 76 -10.583 -4.573 -10.066 1.00 72.20 C ATOM 1199 C GLY A 76 -9.258 -4.987 -9.458 1.00 24.00 C ATOM 1200 O GLY A 76 -8.713 -6.038 -9.798 1.00 22.10 O ATOM 0 H GLY A 76 -11.152 -2.616 -10.554 1.00 73.11 H new ATOM 0 HA2 GLY A 76 -11.321 -4.452 -9.273 1.00 72.20 H new ATOM 0 HA3 GLY A 76 -10.944 -5.368 -10.719 1.00 72.20 H new ATOM 1204 N ILE A 77 -8.737 -4.160 -8.558 1.00 42.22 N ATOM 1205 CA ILE A 77 -7.467 -4.446 -7.902 1.00 74.04 C ATOM 1206 C ILE A 77 -7.551 -4.181 -6.404 1.00 20.34 C ATOM 1207 O ILE A 77 -8.357 -3.378 -5.933 1.00 51.11 O ATOM 1208 CB ILE A 77 -6.323 -3.605 -8.498 1.00 50.52 C ATOM 1209 CG1 ILE A 77 -6.707 -2.123 -8.516 1.00 10.10 C ATOM 1210 CG2 ILE A 77 -5.985 -4.086 -9.901 1.00 75.11 C ATOM 1211 CD1 ILE A 77 -5.752 -1.243 -7.741 1.00 14.55 C ATOM 0 H ILE A 77 -9.175 -3.286 -8.266 1.00 42.22 H new ATOM 0 HA ILE A 77 -7.256 -5.502 -8.070 1.00 74.04 H new ATOM 0 HB ILE A 77 -5.439 -3.726 -7.871 1.00 50.52 H new ATOM 0 HG12 ILE A 77 -6.748 -1.779 -9.549 1.00 10.10 H new ATOM 0 HG13 ILE A 77 -7.709 -2.010 -8.102 1.00 10.10 H new ATOM 0 HG21 ILE A 77 -5.175 -3.481 -10.308 1.00 75.11 H new ATOM 0 HG22 ILE A 77 -5.674 -5.130 -9.863 1.00 75.11 H new ATOM 0 HG23 ILE A 77 -6.864 -3.992 -10.539 1.00 75.11 H new ATOM 0 HD11 ILE A 77 -6.085 -0.207 -7.797 1.00 14.55 H new ATOM 0 HD12 ILE A 77 -5.729 -1.561 -6.699 1.00 14.55 H new ATOM 0 HD13 ILE A 77 -4.753 -1.326 -8.168 1.00 14.55 H new ATOM 1223 N PRO A 78 -6.697 -4.871 -5.632 1.00 21.22 N ATOM 1224 CA PRO A 78 -6.654 -4.726 -4.174 1.00 22.04 C ATOM 1225 C PRO A 78 -6.101 -3.372 -3.742 1.00 53.34 C ATOM 1226 O PRO A 78 -4.901 -3.119 -3.848 1.00 14.42 O ATOM 1227 CB PRO A 78 -5.713 -5.852 -3.734 1.00 11.33 C ATOM 1228 CG PRO A 78 -4.849 -6.108 -4.919 1.00 22.31 C ATOM 1229 CD PRO A 78 -5.709 -5.846 -6.124 1.00 10.32 C ATOM 0 HA PRO A 78 -7.648 -4.783 -3.729 1.00 22.04 H new ATOM 0 HB2 PRO A 78 -5.120 -5.557 -2.868 1.00 11.33 H new ATOM 0 HB3 PRO A 78 -6.270 -6.745 -3.450 1.00 11.33 H new ATOM 0 HG2 PRO A 78 -3.976 -5.455 -4.913 1.00 22.31 H new ATOM 0 HG3 PRO A 78 -4.480 -7.134 -4.919 1.00 22.31 H new ATOM 0 HD2 PRO A 78 -5.127 -5.445 -6.954 1.00 10.32 H new ATOM 0 HD3 PRO A 78 -6.188 -6.757 -6.482 1.00 10.32 H new ATOM 1237 N ILE A 79 -6.984 -2.506 -3.258 1.00 14.12 N ATOM 1238 CA ILE A 79 -6.584 -1.178 -2.809 1.00 53.23 C ATOM 1239 C ILE A 79 -6.937 -0.963 -1.341 1.00 74.41 C ATOM 1240 O ILE A 79 -8.039 -1.294 -0.903 1.00 2.20 O ATOM 1241 CB ILE A 79 -7.251 -0.074 -3.651 1.00 62.14 C ATOM 1242 CG1 ILE A 79 -6.634 1.288 -3.327 1.00 70.34 C ATOM 1243 CG2 ILE A 79 -8.753 -0.054 -3.406 1.00 25.34 C ATOM 1244 CD1 ILE A 79 -5.410 1.609 -4.155 1.00 51.33 C ATOM 0 H ILE A 79 -7.981 -2.700 -3.167 1.00 14.12 H new ATOM 0 HA ILE A 79 -5.503 -1.117 -2.933 1.00 53.23 H new ATOM 0 HB ILE A 79 -7.078 -0.288 -4.706 1.00 62.14 H new ATOM 0 HG12 ILE A 79 -7.383 2.064 -3.485 1.00 70.34 H new ATOM 0 HG13 ILE A 79 -6.365 1.314 -2.271 1.00 70.34 H new ATOM 0 HG21 ILE A 79 -9.209 0.732 -4.008 1.00 25.34 H new ATOM 0 HG22 ILE A 79 -9.180 -1.018 -3.683 1.00 25.34 H new ATOM 0 HG23 ILE A 79 -8.947 0.139 -2.351 1.00 25.34 H new ATOM 0 HD11 ILE A 79 -5.026 2.589 -3.872 1.00 51.33 H new ATOM 0 HD12 ILE A 79 -4.644 0.854 -3.979 1.00 51.33 H new ATOM 0 HD13 ILE A 79 -5.677 1.616 -5.212 1.00 51.33 H new ATOM 1256 N GLU A 80 -5.994 -0.408 -0.586 1.00 74.22 N ATOM 1257 CA GLU A 80 -6.207 -0.149 0.833 1.00 63.34 C ATOM 1258 C GLU A 80 -5.792 1.274 1.194 1.00 14.44 C ATOM 1259 O GLU A 80 -4.662 1.688 0.934 1.00 74.02 O ATOM 1260 CB GLU A 80 -5.420 -1.151 1.680 1.00 31.43 C ATOM 1261 CG GLU A 80 -5.574 -2.591 1.219 1.00 24.43 C ATOM 1262 CD GLU A 80 -4.609 -2.953 0.106 1.00 21.31 C ATOM 1263 OE1 GLU A 80 -3.388 -2.775 0.297 1.00 12.51 O ATOM 1264 OE2 GLU A 80 -5.076 -3.415 -0.955 1.00 72.32 O ATOM 0 H GLU A 80 -5.076 -0.129 -0.933 1.00 74.22 H new ATOM 0 HA GLU A 80 -7.271 -0.263 1.042 1.00 63.34 H new ATOM 0 HB2 GLU A 80 -4.364 -0.882 1.658 1.00 31.43 H new ATOM 0 HB3 GLU A 80 -5.747 -1.073 2.717 1.00 31.43 H new ATOM 0 HG2 GLU A 80 -5.414 -3.259 2.065 1.00 24.43 H new ATOM 0 HG3 GLU A 80 -6.596 -2.751 0.875 1.00 24.43 H new ATOM 1271 N ILE A 81 -6.715 2.018 1.795 1.00 73.32 N ATOM 1272 CA ILE A 81 -6.447 3.395 2.192 1.00 22.42 C ATOM 1273 C ILE A 81 -6.183 3.492 3.692 1.00 51.34 C ATOM 1274 O ILE A 81 -7.010 3.077 4.505 1.00 25.23 O ATOM 1275 CB ILE A 81 -7.618 4.326 1.827 1.00 62.51 C ATOM 1276 CG1 ILE A 81 -7.872 4.292 0.318 1.00 11.14 C ATOM 1277 CG2 ILE A 81 -7.329 5.746 2.289 1.00 35.44 C ATOM 1278 CD1 ILE A 81 -9.302 3.960 -0.047 1.00 42.50 C ATOM 0 H ILE A 81 -7.655 1.690 2.018 1.00 73.32 H new ATOM 0 HA ILE A 81 -5.559 3.713 1.647 1.00 22.42 H new ATOM 0 HB ILE A 81 -8.516 3.975 2.336 1.00 62.51 H new ATOM 0 HG12 ILE A 81 -7.613 5.261 -0.108 1.00 11.14 H new ATOM 0 HG13 ILE A 81 -7.209 3.556 -0.137 1.00 11.14 H new ATOM 0 HG21 ILE A 81 -8.166 6.392 2.024 1.00 35.44 H new ATOM 0 HG22 ILE A 81 -7.191 5.756 3.370 1.00 35.44 H new ATOM 0 HG23 ILE A 81 -6.423 6.109 1.804 1.00 35.44 H new ATOM 0 HD11 ILE A 81 -9.409 3.954 -1.132 1.00 42.50 H new ATOM 0 HD12 ILE A 81 -9.560 2.978 0.349 1.00 42.50 H new ATOM 0 HD13 ILE A 81 -9.969 4.709 0.379 1.00 42.50 H new ATOM 1290 N ILE A 82 -5.030 4.045 4.049 1.00 23.04 N ATOM 1291 CA ILE A 82 -4.659 4.201 5.450 1.00 33.12 C ATOM 1292 C ILE A 82 -5.491 5.288 6.121 1.00 31.44 C ATOM 1293 O ILE A 82 -5.918 6.244 5.476 1.00 72.43 O ATOM 1294 CB ILE A 82 -3.165 4.545 5.603 1.00 72.23 C ATOM 1295 CG1 ILE A 82 -2.311 3.588 4.768 1.00 32.14 C ATOM 1296 CG2 ILE A 82 -2.756 4.488 7.067 1.00 52.32 C ATOM 1297 CD1 ILE A 82 -0.833 3.908 4.807 1.00 55.22 C ATOM 0 H ILE A 82 -4.336 4.393 3.388 1.00 23.04 H new ATOM 0 HA ILE A 82 -4.854 3.245 5.936 1.00 33.12 H new ATOM 0 HB ILE A 82 -3.001 5.559 5.239 1.00 72.23 H new ATOM 0 HG12 ILE A 82 -2.464 2.570 5.127 1.00 32.14 H new ATOM 0 HG13 ILE A 82 -2.654 3.616 3.734 1.00 32.14 H new ATOM 0 HG21 ILE A 82 -1.698 4.733 7.159 1.00 52.32 H new ATOM 0 HG22 ILE A 82 -3.346 5.205 7.638 1.00 52.32 H new ATOM 0 HG23 ILE A 82 -2.931 3.484 7.455 1.00 52.32 H new ATOM 0 HD11 ILE A 82 -0.289 3.190 4.194 1.00 55.22 H new ATOM 0 HD12 ILE A 82 -0.668 4.914 4.420 1.00 55.22 H new ATOM 0 HD13 ILE A 82 -0.475 3.851 5.835 1.00 55.22 H new ATOM 1309 N ASN A 83 -5.715 5.135 7.423 1.00 55.35 N ATOM 1310 CA ASN A 83 -6.495 6.105 8.182 1.00 10.33 C ATOM 1311 C ASN A 83 -5.586 7.139 8.842 1.00 71.52 C ATOM 1312 O ASN A 83 -4.400 6.889 9.061 1.00 31.44 O ATOM 1313 CB ASN A 83 -7.334 5.395 9.247 1.00 11.20 C ATOM 1314 CG ASN A 83 -8.784 5.240 8.831 1.00 35.00 C ATOM 1315 OD1 ASN A 83 -9.410 6.187 8.355 1.00 73.10 O ATOM 1316 ND2 ASN A 83 -9.326 4.041 9.011 1.00 2.24 N ATOM 0 H ASN A 83 -5.368 4.349 7.973 1.00 55.35 H new ATOM 0 HA ASN A 83 -7.159 6.621 7.489 1.00 10.33 H new ATOM 0 HB2 ASN A 83 -6.908 4.411 9.445 1.00 11.20 H new ATOM 0 HB3 ASN A 83 -7.284 5.957 10.179 1.00 11.20 H new ATOM 0 HD21 ASN A 83 -10.299 3.877 8.751 1.00 2.24 H new ATOM 0 HD22 ASN A 83 -8.770 3.284 9.409 1.00 2.24 H new ATOM 1323 N THR A 84 -6.149 8.300 9.155 1.00 52.43 N ATOM 1324 CA THR A 84 -5.391 9.372 9.788 1.00 24.10 C ATOM 1325 C THR A 84 -4.662 8.870 11.030 1.00 50.02 C ATOM 1326 O THR A 84 -3.486 9.171 11.234 1.00 34.22 O ATOM 1327 CB THR A 84 -6.303 10.550 10.182 1.00 25.45 C ATOM 1328 OG1 THR A 84 -7.469 10.565 9.352 1.00 62.43 O ATOM 1329 CG2 THR A 84 -5.564 11.873 10.053 1.00 32.01 C ATOM 0 H THR A 84 -7.129 8.523 8.980 1.00 52.43 H new ATOM 0 HA THR A 84 -4.661 9.718 9.056 1.00 24.10 H new ATOM 0 HB THR A 84 -6.600 10.419 11.222 1.00 25.45 H new ATOM 0 HG1 THR A 84 -8.044 11.315 9.610 1.00 62.43 H new ATOM 0 HG21 THR A 84 -6.228 12.690 10.336 1.00 32.01 H new ATOM 0 HG22 THR A 84 -4.693 11.869 10.709 1.00 32.01 H new ATOM 0 HG23 THR A 84 -5.240 12.010 9.021 1.00 32.01 H new ATOM 1337 N ILE A 85 -5.368 8.104 11.855 1.00 42.25 N ATOM 1338 CA ILE A 85 -4.787 7.559 13.076 1.00 50.32 C ATOM 1339 C ILE A 85 -3.661 6.580 12.759 1.00 11.25 C ATOM 1340 O ILE A 85 -2.526 6.758 13.203 1.00 13.54 O ATOM 1341 CB ILE A 85 -5.847 6.845 13.933 1.00 20.34 C ATOM 1342 CG1 ILE A 85 -7.045 7.766 14.174 1.00 34.35 C ATOM 1343 CG2 ILE A 85 -5.244 6.396 15.256 1.00 71.33 C ATOM 1344 CD1 ILE A 85 -8.343 7.229 13.610 1.00 43.01 C ATOM 0 H ILE A 85 -6.343 7.847 11.700 1.00 42.25 H new ATOM 0 HA ILE A 85 -4.385 8.402 13.638 1.00 50.32 H new ATOM 0 HB ILE A 85 -6.193 5.962 13.395 1.00 20.34 H new ATOM 0 HG12 ILE A 85 -7.162 7.924 15.246 1.00 34.35 H new ATOM 0 HG13 ILE A 85 -6.840 8.740 13.729 1.00 34.35 H new ATOM 0 HG21 ILE A 85 -6.006 5.893 15.851 1.00 71.33 H new ATOM 0 HG22 ILE A 85 -4.420 5.709 15.066 1.00 71.33 H new ATOM 0 HG23 ILE A 85 -4.874 7.265 15.800 1.00 71.33 H new ATOM 0 HD11 ILE A 85 -9.149 7.933 13.818 1.00 43.01 H new ATOM 0 HD12 ILE A 85 -8.245 7.097 12.532 1.00 43.01 H new ATOM 0 HD13 ILE A 85 -8.572 6.269 14.073 1.00 43.01 H new ATOM 1356 N ASP A 86 -3.982 5.547 11.988 1.00 53.51 N ATOM 1357 CA ASP A 86 -2.997 4.541 11.609 1.00 1.22 C ATOM 1358 C ASP A 86 -1.754 5.195 11.013 1.00 31.05 C ATOM 1359 O ASP A 86 -0.647 4.670 11.132 1.00 20.44 O ATOM 1360 CB ASP A 86 -3.601 3.558 10.606 1.00 34.32 C ATOM 1361 CG ASP A 86 -4.544 2.567 11.261 1.00 11.45 C ATOM 1362 OD1 ASP A 86 -5.685 2.959 11.586 1.00 24.23 O ATOM 1363 OD2 ASP A 86 -4.141 1.401 11.450 1.00 44.15 O ATOM 0 H ASP A 86 -4.917 5.384 11.613 1.00 53.51 H new ATOM 0 HA ASP A 86 -2.705 3.998 12.508 1.00 1.22 H new ATOM 0 HB2 ASP A 86 -4.139 4.113 9.837 1.00 34.32 H new ATOM 0 HB3 ASP A 86 -2.799 3.015 10.106 1.00 34.32 H new ATOM 1368 N TYR A 87 -1.945 6.342 10.372 1.00 2.34 N ATOM 1369 CA TYR A 87 -0.839 7.066 9.754 1.00 33.22 C ATOM 1370 C TYR A 87 -0.091 7.901 10.788 1.00 55.44 C ATOM 1371 O TYR A 87 1.137 7.963 10.781 1.00 2.35 O ATOM 1372 CB TYR A 87 -1.356 7.966 8.631 1.00 72.53 C ATOM 1373 CG TYR A 87 -0.257 8.648 7.849 1.00 75.04 C ATOM 1374 CD1 TYR A 87 0.332 8.027 6.753 1.00 31.15 C ATOM 1375 CD2 TYR A 87 0.193 9.914 8.204 1.00 73.44 C ATOM 1376 CE1 TYR A 87 1.336 8.647 6.035 1.00 23.35 C ATOM 1377 CE2 TYR A 87 1.197 10.542 7.492 1.00 74.55 C ATOM 1378 CZ TYR A 87 1.765 9.904 6.408 1.00 23.30 C ATOM 1379 OH TYR A 87 2.765 10.524 5.697 1.00 45.40 O ATOM 0 H TYR A 87 -2.855 6.791 10.266 1.00 2.34 H new ATOM 0 HA TYR A 87 -0.147 6.335 9.335 1.00 33.22 H new ATOM 0 HB2 TYR A 87 -1.961 7.370 7.948 1.00 72.53 H new ATOM 0 HB3 TYR A 87 -2.012 8.725 9.057 1.00 72.53 H new ATOM 0 HD1 TYR A 87 -0.001 7.043 6.458 1.00 31.15 H new ATOM 0 HD2 TYR A 87 -0.250 10.416 9.051 1.00 73.44 H new ATOM 0 HE1 TYR A 87 1.783 8.150 5.186 1.00 23.35 H new ATOM 0 HE2 TYR A 87 1.535 11.526 7.782 1.00 74.55 H new ATOM 0 HH TYR A 87 2.948 11.403 6.089 1.00 45.40 H new ATOM 1389 N GLY A 88 -0.844 8.545 11.676 1.00 24.53 N ATOM 1390 CA GLY A 88 -0.235 9.369 12.705 1.00 75.32 C ATOM 1391 C GLY A 88 0.604 8.561 13.675 1.00 33.33 C ATOM 1392 O GLY A 88 1.743 8.921 13.974 1.00 14.41 O ATOM 0 H GLY A 88 -1.863 8.511 11.701 1.00 24.53 H new ATOM 0 HA2 GLY A 88 0.390 10.129 12.235 1.00 75.32 H new ATOM 0 HA3 GLY A 88 -1.016 9.894 13.255 1.00 75.32 H new ATOM 1396 N THR A 89 0.040 7.463 14.170 1.00 23.32 N ATOM 1397 CA THR A 89 0.742 6.602 15.114 1.00 11.54 C ATOM 1398 C THR A 89 1.869 5.839 14.430 1.00 43.35 C ATOM 1399 O THR A 89 2.831 5.423 15.074 1.00 21.45 O ATOM 1400 CB THR A 89 -0.217 5.595 15.777 1.00 41.22 C ATOM 1401 OG1 THR A 89 0.522 4.683 16.597 1.00 73.30 O ATOM 1402 CG2 THR A 89 -0.999 4.822 14.726 1.00 23.00 C ATOM 0 H THR A 89 -0.901 7.149 13.933 1.00 23.32 H new ATOM 0 HA THR A 89 1.162 7.252 15.882 1.00 11.54 H new ATOM 0 HB THR A 89 -0.922 6.150 16.396 1.00 41.22 H new ATOM 0 HG1 THR A 89 -0.094 4.047 17.016 1.00 73.30 H new ATOM 0 HG21 THR A 89 -1.670 4.117 15.217 1.00 23.00 H new ATOM 0 HG22 THR A 89 -1.582 5.517 14.122 1.00 23.00 H new ATOM 0 HG23 THR A 89 -0.306 4.277 14.085 1.00 23.00 H new ATOM 1410 N MET A 90 1.745 5.659 13.119 1.00 52.54 N ATOM 1411 CA MET A 90 2.756 4.947 12.346 1.00 11.12 C ATOM 1412 C MET A 90 2.879 3.501 12.815 1.00 71.42 C ATOM 1413 O MET A 90 3.817 3.147 13.529 1.00 53.22 O ATOM 1414 CB MET A 90 4.109 5.650 12.465 1.00 40.12 C ATOM 1415 CG MET A 90 4.050 7.137 12.154 1.00 30.03 C ATOM 1416 SD MET A 90 4.706 8.154 13.492 1.00 61.41 S ATOM 1417 CE MET A 90 6.382 7.529 13.601 1.00 71.33 C ATOM 0 H MET A 90 0.954 5.996 12.570 1.00 52.54 H new ATOM 0 HA MET A 90 2.445 4.947 11.301 1.00 11.12 H new ATOM 0 HB2 MET A 90 4.493 5.513 13.476 1.00 40.12 H new ATOM 0 HB3 MET A 90 4.818 5.173 11.788 1.00 40.12 H new ATOM 0 HG2 MET A 90 4.613 7.336 11.242 1.00 30.03 H new ATOM 0 HG3 MET A 90 3.016 7.423 11.959 1.00 30.03 H new ATOM 0 HE1 MET A 90 6.607 7.271 14.636 1.00 71.33 H new ATOM 0 HE2 MET A 90 6.481 6.642 12.976 1.00 71.33 H new ATOM 0 HE3 MET A 90 7.079 8.294 13.258 1.00 71.33 H new ATOM 1427 N ASN A 91 1.926 2.668 12.408 1.00 50.00 N ATOM 1428 CA ASN A 91 1.928 1.260 12.787 1.00 31.55 C ATOM 1429 C ASN A 91 2.365 0.382 11.618 1.00 13.42 C ATOM 1430 O ASN A 91 1.542 -0.049 10.811 1.00 55.23 O ATOM 1431 CB ASN A 91 0.537 0.837 13.265 1.00 43.50 C ATOM 1432 CG ASN A 91 0.453 0.732 14.776 1.00 71.30 C ATOM 1433 OD1 ASN A 91 -0.329 1.435 15.416 1.00 11.50 O ATOM 1434 ND2 ASN A 91 1.259 -0.152 15.353 1.00 40.33 N ATOM 0 H ASN A 91 1.143 2.944 11.816 1.00 50.00 H new ATOM 0 HA ASN A 91 2.640 1.130 13.602 1.00 31.55 H new ATOM 0 HB2 ASN A 91 -0.201 1.558 12.912 1.00 43.50 H new ATOM 0 HB3 ASN A 91 0.280 -0.125 12.822 1.00 43.50 H new ATOM 0 HD21 ASN A 91 1.246 -0.269 16.366 1.00 40.33 H new ATOM 0 HD22 ASN A 91 1.891 -0.714 14.783 1.00 40.33 H new ATOM 1441 N GLY A 92 3.665 0.122 11.535 1.00 61.43 N ATOM 1442 CA GLY A 92 4.189 -0.704 10.461 1.00 33.04 C ATOM 1443 C GLY A 92 3.464 -2.029 10.343 1.00 20.11 C ATOM 1444 O GLY A 92 3.057 -2.425 9.251 1.00 15.14 O ATOM 0 H GLY A 92 4.365 0.468 12.191 1.00 61.43 H new ATOM 0 HA2 GLY A 92 4.107 -0.163 9.518 1.00 33.04 H new ATOM 0 HA3 GLY A 92 5.250 -0.888 10.632 1.00 33.04 H new ATOM 1448 N GLU A 93 3.304 -2.718 11.469 1.00 53.52 N ATOM 1449 CA GLU A 93 2.624 -4.008 11.485 1.00 2.04 C ATOM 1450 C GLU A 93 1.238 -3.900 10.856 1.00 22.35 C ATOM 1451 O GLU A 93 0.875 -4.692 9.985 1.00 1.55 O ATOM 1452 CB GLU A 93 2.506 -4.530 12.919 1.00 43.44 C ATOM 1453 CG GLU A 93 2.084 -5.987 13.003 1.00 43.21 C ATOM 1454 CD GLU A 93 1.940 -6.470 14.433 1.00 64.52 C ATOM 1455 OE1 GLU A 93 2.622 -5.914 15.320 1.00 61.12 O ATOM 1456 OE2 GLU A 93 1.146 -7.405 14.665 1.00 74.31 O ATOM 0 H GLU A 93 3.636 -2.405 12.381 1.00 53.52 H new ATOM 0 HA GLU A 93 3.217 -4.710 10.898 1.00 2.04 H new ATOM 0 HB2 GLU A 93 3.466 -4.409 13.421 1.00 43.44 H new ATOM 0 HB3 GLU A 93 1.784 -3.919 13.461 1.00 43.44 H new ATOM 0 HG2 GLU A 93 1.136 -6.117 12.482 1.00 43.21 H new ATOM 0 HG3 GLU A 93 2.819 -6.605 12.487 1.00 43.21 H new ATOM 1463 N LYS A 94 0.466 -2.916 11.304 1.00 22.13 N ATOM 1464 CA LYS A 94 -0.880 -2.703 10.786 1.00 31.24 C ATOM 1465 C LYS A 94 -0.849 -2.418 9.289 1.00 43.55 C ATOM 1466 O LYS A 94 -1.734 -2.843 8.546 1.00 43.42 O ATOM 1467 CB LYS A 94 -1.555 -1.543 11.524 1.00 64.31 C ATOM 1468 CG LYS A 94 -1.707 -1.778 13.017 1.00 62.24 C ATOM 1469 CD LYS A 94 -2.642 -2.940 13.306 1.00 14.53 C ATOM 1470 CE LYS A 94 -3.245 -2.837 14.699 1.00 63.05 C ATOM 1471 NZ LYS A 94 -4.717 -2.618 14.651 1.00 73.04 N ATOM 0 H LYS A 94 0.750 -2.253 12.025 1.00 22.13 H new ATOM 0 HA LYS A 94 -1.454 -3.615 10.952 1.00 31.24 H new ATOM 0 HB2 LYS A 94 -0.974 -0.635 11.365 1.00 64.31 H new ATOM 0 HB3 LYS A 94 -2.540 -1.371 11.090 1.00 64.31 H new ATOM 0 HG2 LYS A 94 -0.730 -1.978 13.456 1.00 62.24 H new ATOM 0 HG3 LYS A 94 -2.090 -0.875 13.491 1.00 62.24 H new ATOM 0 HD2 LYS A 94 -3.440 -2.960 12.564 1.00 14.53 H new ATOM 0 HD3 LYS A 94 -2.097 -3.879 13.213 1.00 14.53 H new ATOM 0 HE2 LYS A 94 -3.032 -3.750 15.256 1.00 63.05 H new ATOM 0 HE3 LYS A 94 -2.773 -2.016 15.239 1.00 63.05 H new ATOM 0 HZ1 LYS A 94 -5.090 -2.553 15.620 1.00 73.04 H new ATOM 0 HZ2 LYS A 94 -4.920 -1.734 14.142 1.00 73.04 H new ATOM 0 HZ3 LYS A 94 -5.170 -3.413 14.158 1.00 73.04 H new ATOM 1485 N VAL A 95 0.178 -1.695 8.850 1.00 33.40 N ATOM 1486 CA VAL A 95 0.327 -1.355 7.440 1.00 34.14 C ATOM 1487 C VAL A 95 0.555 -2.603 6.595 1.00 21.11 C ATOM 1488 O VAL A 95 -0.295 -2.985 5.789 1.00 22.34 O ATOM 1489 CB VAL A 95 1.495 -0.378 7.219 1.00 63.22 C ATOM 1490 CG1 VAL A 95 1.618 -0.015 5.746 1.00 34.24 C ATOM 1491 CG2 VAL A 95 1.315 0.869 8.070 1.00 14.22 C ATOM 0 H VAL A 95 0.919 -1.334 9.451 1.00 33.40 H new ATOM 0 HA VAL A 95 -0.601 -0.875 7.130 1.00 34.14 H new ATOM 0 HB VAL A 95 2.419 -0.869 7.526 1.00 63.22 H new ATOM 0 HG11 VAL A 95 2.449 0.677 5.610 1.00 34.24 H new ATOM 0 HG12 VAL A 95 1.798 -0.918 5.163 1.00 34.24 H new ATOM 0 HG13 VAL A 95 0.695 0.457 5.409 1.00 34.24 H new ATOM 0 HG21 VAL A 95 2.150 1.549 7.901 1.00 14.22 H new ATOM 0 HG22 VAL A 95 0.383 1.364 7.797 1.00 14.22 H new ATOM 0 HG23 VAL A 95 1.282 0.589 9.123 1.00 14.22 H new ATOM 1501 N LEU A 96 1.708 -3.236 6.783 1.00 13.01 N ATOM 1502 CA LEU A 96 2.049 -4.443 6.038 1.00 25.54 C ATOM 1503 C LEU A 96 0.932 -5.478 6.138 1.00 43.45 C ATOM 1504 O LEU A 96 0.660 -6.203 5.181 1.00 40.23 O ATOM 1505 CB LEU A 96 3.358 -5.037 6.563 1.00 42.34 C ATOM 1506 CG LEU A 96 3.463 -5.195 8.079 1.00 30.34 C ATOM 1507 CD1 LEU A 96 3.298 -6.654 8.476 1.00 1.21 C ATOM 1508 CD2 LEU A 96 4.792 -4.650 8.583 1.00 63.43 C ATOM 0 H LEU A 96 2.423 -2.933 7.445 1.00 13.01 H new ATOM 0 HA LEU A 96 2.175 -4.171 4.990 1.00 25.54 H new ATOM 0 HB2 LEU A 96 3.499 -6.016 6.105 1.00 42.34 H new ATOM 0 HB3 LEU A 96 4.181 -4.406 6.226 1.00 42.34 H new ATOM 0 HG LEU A 96 2.660 -4.621 8.541 1.00 30.34 H new ATOM 0 HD11 LEU A 96 3.376 -6.747 9.559 1.00 1.21 H new ATOM 0 HD12 LEU A 96 2.321 -7.012 8.150 1.00 1.21 H new ATOM 0 HD13 LEU A 96 4.079 -7.250 8.004 1.00 1.21 H new ATOM 0 HD21 LEU A 96 4.848 -4.771 9.665 1.00 63.43 H new ATOM 0 HD22 LEU A 96 5.611 -5.196 8.114 1.00 63.43 H new ATOM 0 HD23 LEU A 96 4.870 -3.592 8.332 1.00 63.43 H new ATOM 1520 N GLN A 97 0.290 -5.539 7.299 1.00 51.50 N ATOM 1521 CA GLN A 97 -0.798 -6.484 7.521 1.00 4.53 C ATOM 1522 C GLN A 97 -1.977 -6.182 6.604 1.00 52.53 C ATOM 1523 O GLN A 97 -2.450 -7.055 5.875 1.00 53.13 O ATOM 1524 CB GLN A 97 -1.248 -6.441 8.983 1.00 54.34 C ATOM 1525 CG GLN A 97 -0.398 -7.296 9.907 1.00 3.45 C ATOM 1526 CD GLN A 97 -0.564 -8.780 9.647 1.00 72.24 C ATOM 1527 OE1 GLN A 97 -1.534 -9.395 10.092 1.00 3.40 O ATOM 1528 NE2 GLN A 97 0.383 -9.365 8.923 1.00 45.32 N ATOM 0 H GLN A 97 0.504 -4.946 8.101 1.00 51.50 H new ATOM 0 HA GLN A 97 -0.430 -7.484 7.291 1.00 4.53 H new ATOM 0 HB2 GLN A 97 -1.223 -5.409 9.332 1.00 54.34 H new ATOM 0 HB3 GLN A 97 -2.284 -6.773 9.045 1.00 54.34 H new ATOM 0 HG2 GLN A 97 0.651 -7.025 9.784 1.00 3.45 H new ATOM 0 HG3 GLN A 97 -0.664 -7.080 10.942 1.00 3.45 H new ATOM 0 HE21 GLN A 97 1.170 -8.817 8.574 1.00 45.32 H new ATOM 0 HE22 GLN A 97 0.324 -10.362 8.716 1.00 45.32 H new ATOM 1537 N LEU A 98 -2.449 -4.940 6.644 1.00 32.43 N ATOM 1538 CA LEU A 98 -3.575 -4.522 5.816 1.00 35.01 C ATOM 1539 C LEU A 98 -3.289 -4.777 4.340 1.00 32.40 C ATOM 1540 O LEU A 98 -4.148 -5.266 3.606 1.00 34.54 O ATOM 1541 CB LEU A 98 -3.875 -3.039 6.040 1.00 33.03 C ATOM 1542 CG LEU A 98 -5.353 -2.661 6.142 1.00 74.42 C ATOM 1543 CD1 LEU A 98 -5.508 -1.164 6.358 1.00 73.21 C ATOM 1544 CD2 LEU A 98 -6.103 -3.102 4.893 1.00 73.33 C ATOM 0 H LEU A 98 -2.069 -4.205 7.241 1.00 32.43 H new ATOM 0 HA LEU A 98 -4.446 -5.110 6.106 1.00 35.01 H new ATOM 0 HB2 LEU A 98 -3.376 -2.722 6.956 1.00 33.03 H new ATOM 0 HB3 LEU A 98 -3.431 -2.472 5.222 1.00 33.03 H new ATOM 0 HG LEU A 98 -5.782 -3.177 7.001 1.00 74.42 H new ATOM 0 HD11 LEU A 98 -6.567 -0.914 6.428 1.00 73.21 H new ATOM 0 HD12 LEU A 98 -5.005 -0.876 7.281 1.00 73.21 H new ATOM 0 HD13 LEU A 98 -5.063 -0.627 5.520 1.00 73.21 H new ATOM 0 HD21 LEU A 98 -7.153 -2.825 4.983 1.00 73.33 H new ATOM 0 HD22 LEU A 98 -5.672 -2.614 4.019 1.00 73.33 H new ATOM 0 HD23 LEU A 98 -6.021 -4.183 4.782 1.00 73.33 H new ATOM 1556 N ALA A 99 -2.076 -4.446 3.911 1.00 15.53 N ATOM 1557 CA ALA A 99 -1.675 -4.642 2.523 1.00 34.41 C ATOM 1558 C ALA A 99 -1.747 -6.115 2.136 1.00 24.22 C ATOM 1559 O ALA A 99 -2.510 -6.498 1.249 1.00 32.00 O ATOM 1560 CB ALA A 99 -0.272 -4.101 2.298 1.00 72.42 C ATOM 0 H ALA A 99 -1.353 -4.040 4.505 1.00 15.53 H new ATOM 0 HA ALA A 99 -2.369 -4.092 1.887 1.00 34.41 H new ATOM 0 HB1 ALA A 99 0.014 -4.254 1.258 1.00 72.42 H new ATOM 0 HB2 ALA A 99 -0.252 -3.036 2.527 1.00 72.42 H new ATOM 0 HB3 ALA A 99 0.429 -4.625 2.948 1.00 72.42 H new ATOM 1566 N ILE A 100 -0.945 -6.938 2.806 1.00 52.24 N ATOM 1567 CA ILE A 100 -0.917 -8.369 2.530 1.00 12.43 C ATOM 1568 C ILE A 100 -2.313 -8.974 2.631 1.00 24.32 C ATOM 1569 O ILE A 100 -2.719 -9.767 1.783 1.00 72.24 O ATOM 1570 CB ILE A 100 0.023 -9.110 3.499 1.00 43.03 C ATOM 1571 CG1 ILE A 100 1.442 -8.546 3.397 1.00 21.31 C ATOM 1572 CG2 ILE A 100 0.018 -10.603 3.203 1.00 4.45 C ATOM 1573 CD1 ILE A 100 2.337 -8.951 4.547 1.00 64.50 C ATOM 0 H ILE A 100 -0.307 -6.638 3.543 1.00 52.24 H new ATOM 0 HA ILE A 100 -0.544 -8.488 1.513 1.00 12.43 H new ATOM 0 HB ILE A 100 -0.336 -8.960 4.517 1.00 43.03 H new ATOM 0 HG12 ILE A 100 1.891 -8.881 2.462 1.00 21.31 H new ATOM 0 HG13 ILE A 100 1.390 -7.458 3.354 1.00 21.31 H new ATOM 0 HG21 ILE A 100 0.687 -11.114 3.896 1.00 4.45 H new ATOM 0 HG22 ILE A 100 -0.993 -10.994 3.320 1.00 4.45 H new ATOM 0 HG23 ILE A 100 0.356 -10.772 2.181 1.00 4.45 H new ATOM 0 HD11 ILE A 100 3.327 -8.516 4.409 1.00 64.50 H new ATOM 0 HD12 ILE A 100 1.910 -8.592 5.484 1.00 64.50 H new ATOM 0 HD13 ILE A 100 2.420 -10.037 4.578 1.00 64.50 H new ATOM 1585 N ASN A 101 -3.043 -8.595 3.676 1.00 65.14 N ATOM 1586 CA ASN A 101 -4.394 -9.100 3.887 1.00 53.20 C ATOM 1587 C ASN A 101 -5.264 -8.859 2.657 1.00 20.30 C ATOM 1588 O ASN A 101 -5.850 -9.790 2.106 1.00 24.11 O ATOM 1589 CB ASN A 101 -5.025 -8.432 5.111 1.00 53.32 C ATOM 1590 CG ASN A 101 -6.264 -9.161 5.592 1.00 20.34 C ATOM 1591 OD1 ASN A 101 -6.275 -10.387 5.698 1.00 60.43 O ATOM 1592 ND2 ASN A 101 -7.317 -8.407 5.889 1.00 11.24 N ATOM 0 H ASN A 101 -2.721 -7.940 4.389 1.00 65.14 H new ATOM 0 HA ASN A 101 -4.330 -10.174 4.060 1.00 53.20 H new ATOM 0 HB2 ASN A 101 -4.293 -8.393 5.918 1.00 53.32 H new ATOM 0 HB3 ASN A 101 -5.285 -7.402 4.866 1.00 53.32 H new ATOM 0 HD21 ASN A 101 -8.178 -8.842 6.220 1.00 11.24 H new ATOM 0 HD22 ASN A 101 -7.264 -7.394 5.786 1.00 11.24 H new ATOM 1599 N ALA A 102 -5.343 -7.602 2.232 1.00 12.01 N ATOM 1600 CA ALA A 102 -6.139 -7.239 1.066 1.00 21.02 C ATOM 1601 C ALA A 102 -5.708 -8.033 -0.162 1.00 44.22 C ATOM 1602 O ALA A 102 -6.541 -8.572 -0.891 1.00 0.33 O ATOM 1603 CB ALA A 102 -6.029 -5.745 0.797 1.00 45.32 C ATOM 0 H ALA A 102 -4.866 -6.818 2.678 1.00 12.01 H new ATOM 0 HA ALA A 102 -7.180 -7.484 1.277 1.00 21.02 H new ATOM 0 HB1 ALA A 102 -6.628 -5.487 -0.076 1.00 45.32 H new ATOM 0 HB2 ALA A 102 -6.393 -5.192 1.663 1.00 45.32 H new ATOM 0 HB3 ALA A 102 -4.987 -5.484 0.612 1.00 45.32 H new ATOM 1609 N PHE A 103 -4.400 -8.100 -0.388 1.00 45.12 N ATOM 1610 CA PHE A 103 -3.857 -8.827 -1.530 1.00 74.33 C ATOM 1611 C PHE A 103 -4.233 -10.305 -1.462 1.00 54.32 C ATOM 1612 O PHE A 103 -4.504 -10.935 -2.484 1.00 10.51 O ATOM 1613 CB PHE A 103 -2.335 -8.678 -1.581 1.00 30.11 C ATOM 1614 CG PHE A 103 -1.705 -9.360 -2.761 1.00 74.02 C ATOM 1615 CD1 PHE A 103 -2.089 -9.033 -4.052 1.00 24.52 C ATOM 1616 CD2 PHE A 103 -0.729 -10.327 -2.581 1.00 2.43 C ATOM 1617 CE1 PHE A 103 -1.511 -9.659 -5.141 1.00 51.14 C ATOM 1618 CE2 PHE A 103 -0.148 -10.954 -3.666 1.00 65.12 C ATOM 1619 CZ PHE A 103 -0.539 -10.621 -4.948 1.00 40.20 C ATOM 0 H PHE A 103 -3.696 -7.660 0.205 1.00 45.12 H new ATOM 0 HA PHE A 103 -4.287 -8.402 -2.437 1.00 74.33 H new ATOM 0 HB2 PHE A 103 -2.082 -7.618 -1.607 1.00 30.11 H new ATOM 0 HB3 PHE A 103 -1.907 -9.085 -0.665 1.00 30.11 H new ATOM 0 HD1 PHE A 103 -2.848 -8.281 -4.209 1.00 24.52 H new ATOM 0 HD2 PHE A 103 -0.419 -10.593 -1.581 1.00 2.43 H new ATOM 0 HE1 PHE A 103 -1.819 -9.396 -6.142 1.00 51.14 H new ATOM 0 HE2 PHE A 103 0.613 -11.705 -3.512 1.00 65.12 H new ATOM 0 HZ PHE A 103 -0.086 -11.111 -5.797 1.00 40.20 H new ATOM 1629 N ASN A 104 -4.246 -10.851 -0.251 1.00 54.13 N ATOM 1630 CA ASN A 104 -4.587 -12.254 -0.049 1.00 71.01 C ATOM 1631 C ASN A 104 -6.084 -12.483 -0.237 1.00 45.43 C ATOM 1632 O ASN A 104 -6.501 -13.484 -0.818 1.00 44.21 O ATOM 1633 CB ASN A 104 -4.162 -12.708 1.349 1.00 55.12 C ATOM 1634 CG ASN A 104 -2.718 -13.164 1.395 1.00 45.53 C ATOM 1635 OD1 ASN A 104 -2.024 -13.170 0.378 1.00 1.20 O ATOM 1636 ND2 ASN A 104 -2.255 -13.548 2.580 1.00 53.24 N ATOM 0 H ASN A 104 -4.024 -10.343 0.605 1.00 54.13 H new ATOM 0 HA ASN A 104 -4.051 -12.843 -0.793 1.00 71.01 H new ATOM 0 HB2 ASN A 104 -4.304 -11.888 2.053 1.00 55.12 H new ATOM 0 HB3 ASN A 104 -4.808 -13.523 1.675 1.00 55.12 H new ATOM 0 HD21 ASN A 104 -1.289 -13.864 2.672 1.00 53.24 H new ATOM 0 HD22 ASN A 104 -2.865 -13.527 3.397 1.00 53.24 H new ATOM 1643 N ASN A 105 -6.887 -11.546 0.257 1.00 31.15 N ATOM 1644 CA ASN A 105 -8.338 -11.645 0.143 1.00 22.55 C ATOM 1645 C ASN A 105 -8.789 -11.403 -1.294 1.00 4.40 C ATOM 1646 O ASN A 105 -9.816 -11.922 -1.730 1.00 11.41 O ATOM 1647 CB ASN A 105 -9.012 -10.639 1.078 1.00 75.42 C ATOM 1648 CG ASN A 105 -10.112 -11.272 1.910 1.00 1.52 C ATOM 1649 OD1 ASN A 105 -10.888 -12.090 1.416 1.00 23.03 O ATOM 1650 ND2 ASN A 105 -10.184 -10.892 3.181 1.00 61.05 N ATOM 0 H ASN A 105 -6.558 -10.710 0.740 1.00 31.15 H new ATOM 0 HA ASN A 105 -8.633 -12.654 0.431 1.00 22.55 H new ATOM 0 HB2 ASN A 105 -8.263 -10.204 1.740 1.00 75.42 H new ATOM 0 HB3 ASN A 105 -9.429 -9.822 0.489 1.00 75.42 H new ATOM 0 HD21 ASN A 105 -10.904 -11.281 3.790 1.00 61.05 H new ATOM 0 HD22 ASN A 105 -9.519 -10.211 3.548 1.00 61.05 H new ATOM 1657 N LYS A 106 -8.012 -10.611 -2.026 1.00 63.21 N ATOM 1658 CA LYS A 106 -8.328 -10.301 -3.415 1.00 75.30 C ATOM 1659 C LYS A 106 -9.671 -9.584 -3.520 1.00 22.42 C ATOM 1660 O LYS A 106 -10.383 -9.723 -4.514 1.00 74.34 O ATOM 1661 CB LYS A 106 -8.355 -11.582 -4.252 1.00 41.45 C ATOM 1662 CG LYS A 106 -7.151 -12.479 -4.029 1.00 65.43 C ATOM 1663 CD LYS A 106 -6.847 -13.322 -5.258 1.00 10.43 C ATOM 1664 CE LYS A 106 -5.737 -14.324 -4.986 1.00 23.32 C ATOM 1665 NZ LYS A 106 -5.351 -15.071 -6.215 1.00 45.31 N ATOM 0 H LYS A 106 -7.159 -10.172 -1.680 1.00 63.21 H new ATOM 0 HA LYS A 106 -7.551 -9.640 -3.799 1.00 75.30 H new ATOM 0 HB2 LYS A 106 -9.262 -12.140 -4.018 1.00 41.45 H new ATOM 0 HB3 LYS A 106 -8.408 -11.315 -5.308 1.00 41.45 H new ATOM 0 HG2 LYS A 106 -6.282 -11.869 -3.782 1.00 65.43 H new ATOM 0 HG3 LYS A 106 -7.336 -13.132 -3.176 1.00 65.43 H new ATOM 0 HD2 LYS A 106 -7.748 -13.851 -5.569 1.00 10.43 H new ATOM 0 HD3 LYS A 106 -6.557 -12.672 -6.084 1.00 10.43 H new ATOM 0 HE2 LYS A 106 -4.866 -13.802 -4.589 1.00 23.32 H new ATOM 0 HE3 LYS A 106 -6.063 -15.028 -4.220 1.00 23.32 H new ATOM 0 HZ1 LYS A 106 -4.592 -15.744 -5.988 1.00 45.31 H new ATOM 0 HZ2 LYS A 106 -6.176 -15.589 -6.580 1.00 45.31 H new ATOM 0 HZ3 LYS A 106 -5.016 -14.402 -6.937 1.00 45.31 H new ATOM 1679 N SER A 107 -10.009 -8.817 -2.489 1.00 44.52 N ATOM 1680 CA SER A 107 -11.267 -8.079 -2.465 1.00 30.23 C ATOM 1681 C SER A 107 -11.197 -6.917 -1.479 1.00 43.44 C ATOM 1682 O SER A 107 -10.699 -7.065 -0.363 1.00 13.51 O ATOM 1683 CB SER A 107 -12.421 -9.011 -2.090 1.00 64.23 C ATOM 1684 OG SER A 107 -13.672 -8.427 -2.407 1.00 43.24 O ATOM 0 H SER A 107 -9.430 -8.690 -1.659 1.00 44.52 H new ATOM 0 HA SER A 107 -11.443 -7.676 -3.462 1.00 30.23 H new ATOM 0 HB2 SER A 107 -12.314 -9.958 -2.619 1.00 64.23 H new ATOM 0 HB3 SER A 107 -12.380 -9.235 -1.024 1.00 64.23 H new ATOM 0 HG SER A 107 -14.393 -9.043 -2.159 1.00 43.24 H new ATOM 1690 N SER A 108 -11.698 -5.761 -1.901 1.00 44.33 N ATOM 1691 CA SER A 108 -11.689 -4.571 -1.059 1.00 13.32 C ATOM 1692 C SER A 108 -12.636 -3.509 -1.609 1.00 44.43 C ATOM 1693 O SER A 108 -12.250 -2.355 -1.800 1.00 24.43 O ATOM 1694 CB SER A 108 -10.272 -4.003 -0.956 1.00 31.41 C ATOM 1695 OG SER A 108 -10.070 -3.361 0.291 1.00 23.24 O ATOM 0 H SER A 108 -12.115 -5.623 -2.821 1.00 44.33 H new ATOM 0 HA SER A 108 -12.031 -4.858 -0.064 1.00 13.32 H new ATOM 0 HB2 SER A 108 -9.545 -4.806 -1.077 1.00 31.41 H new ATOM 0 HB3 SER A 108 -10.101 -3.294 -1.766 1.00 31.41 H new ATOM 0 HG SER A 108 -9.430 -2.627 0.181 1.00 23.24 H new ATOM 1701 N VAL A 109 -13.879 -3.906 -1.863 1.00 21.44 N ATOM 1702 CA VAL A 109 -14.883 -2.989 -2.390 1.00 25.42 C ATOM 1703 C VAL A 109 -15.847 -2.542 -1.297 1.00 43.13 C ATOM 1704 O VAL A 109 -15.597 -2.753 -0.110 1.00 72.15 O ATOM 1705 CB VAL A 109 -15.685 -3.635 -3.535 1.00 54.12 C ATOM 1706 CG1 VAL A 109 -16.434 -4.861 -3.037 1.00 14.33 C ATOM 1707 CG2 VAL A 109 -16.645 -2.625 -4.147 1.00 31.10 C ATOM 0 H VAL A 109 -14.215 -4.857 -1.712 1.00 21.44 H new ATOM 0 HA VAL A 109 -14.349 -2.121 -2.775 1.00 25.42 H new ATOM 0 HB VAL A 109 -14.988 -3.955 -4.309 1.00 54.12 H new ATOM 0 HG11 VAL A 109 -16.995 -5.304 -3.860 1.00 14.33 H new ATOM 0 HG12 VAL A 109 -15.722 -5.590 -2.649 1.00 14.33 H new ATOM 0 HG13 VAL A 109 -17.123 -4.569 -2.244 1.00 14.33 H new ATOM 0 HG21 VAL A 109 -17.204 -3.098 -4.955 1.00 31.10 H new ATOM 0 HG22 VAL A 109 -17.338 -2.273 -3.383 1.00 31.10 H new ATOM 0 HG23 VAL A 109 -16.081 -1.780 -4.542 1.00 31.10 H new TER 1717 VAL A 109