USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 898 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.9!) USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 79 SER OG : rot -20:sc= 0.201 USER MOD Set 2.2: A 105 ASN : amide:sc= 0.155 X(o=0.36,f=0.0026) USER MOD Set 3.1: A 26 LYS NZ :NH3+ -111:sc= 0.00282 (180deg=-0.995) USER MOD Set 3.2: A 39 GLN : amide:sc= -0.0656 K(o=-0.063,f=-1!) USER MOD Set 4.1: A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 59 THR OG1 : rot 37:sc= 0.0627 USER MOD Single : A 4 TYR OH : rot -30:sc= -0.08 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.951 USER MOD Single : A 12 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-3!) USER MOD Single : A 16 THR OG1 : rot -115:sc= 1.14 USER MOD Single : A 17 THR OG1 : rot -37:sc= 0.532 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0918 X(o=-0.092,f=-0.59) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 31 SER OG : rot -73:sc= 0.438 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.0185 (180deg=-0.21) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.169) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 150:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.46 K(o=-0.46,f=-4.3!) USER MOD Single : A 62 TYR OH : rot -161:sc= -1.21 USER MOD Single : A 64 THR OG1 : rot 100:sc= -0.825 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.51) USER MOD Single : A 115 TYR OH : rot 130:sc= -1.54! USER MOD Single : A 116 CYS SG : rot 0:sc= -3.26! USER MOD Single : A 119 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0443) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 4 -7.698 -19.313 -12.668 1.00 0.00 N ATOM 2 CA TYR A 4 -8.324 -17.992 -12.526 1.00 0.00 C ATOM 3 C TYR A 4 -7.836 -17.359 -11.227 1.00 0.00 C ATOM 4 O TYR A 4 -8.064 -17.875 -10.130 1.00 0.00 O ATOM 5 CB TYR A 4 -9.845 -18.171 -12.532 1.00 0.00 C ATOM 6 CG TYR A 4 -10.667 -16.914 -12.785 1.00 0.00 C ATOM 7 CD1 TYR A 4 -10.703 -15.902 -11.872 1.00 0.00 C ATOM 8 CD2 TYR A 4 -11.447 -16.840 -13.899 1.00 0.00 C ATOM 9 CE1 TYR A 4 -11.541 -14.848 -12.054 1.00 0.00 C ATOM 10 CE2 TYR A 4 -12.290 -15.787 -14.076 1.00 0.00 C ATOM 11 CZ TYR A 4 -12.345 -14.799 -13.146 1.00 0.00 C ATOM 12 OH TYR A 4 -13.221 -13.760 -13.305 1.00 0.00 O ATOM 0 HA TYR A 4 -8.053 -17.332 -13.350 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -10.101 -18.907 -13.294 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.145 -18.589 -11.571 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.064 -15.938 -11.002 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -11.396 -17.620 -14.644 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.567 -14.048 -11.329 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.915 -15.737 -14.955 1.00 0.00 H new ATOM 0 HH TYR A 4 -13.503 -13.433 -12.425 1.00 0.00 H new ATOM 22 N LYS A 5 -7.196 -16.209 -11.361 1.00 0.00 N ATOM 23 CA LYS A 5 -6.866 -15.397 -10.199 1.00 0.00 C ATOM 24 C LYS A 5 -7.980 -14.381 -9.953 1.00 0.00 C ATOM 25 O LYS A 5 -8.485 -13.746 -10.880 1.00 0.00 O ATOM 26 CB LYS A 5 -5.576 -14.635 -10.529 1.00 0.00 C ATOM 27 CG LYS A 5 -4.336 -15.534 -10.579 1.00 0.00 C ATOM 28 CD LYS A 5 -3.067 -14.703 -10.788 1.00 0.00 C ATOM 29 CE LYS A 5 -1.825 -15.595 -10.841 1.00 0.00 C ATOM 30 NZ LYS A 5 -0.620 -14.776 -11.036 1.00 0.00 N ATOM 0 H LYS A 5 -6.896 -15.818 -12.254 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.747 -16.023 -9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.693 -14.136 -11.491 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.421 -13.856 -9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.255 -16.101 -9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.439 -16.258 -11.388 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.150 -14.135 -11.714 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.965 -13.980 -9.979 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.739 -16.167 -9.917 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.920 -16.315 -11.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.217 -15.392 -11.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.699 -14.249 -11.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.524 -14.106 -10.246 1.00 0.00 H new ATOM 44 N THR A 6 -8.281 -14.146 -8.682 1.00 0.00 N ATOM 45 CA THR A 6 -8.952 -12.889 -8.322 1.00 0.00 C ATOM 46 C THR A 6 -7.837 -11.881 -8.030 1.00 0.00 C ATOM 47 O THR A 6 -6.810 -12.216 -7.437 1.00 0.00 O ATOM 48 CB THR A 6 -9.884 -13.088 -7.112 1.00 0.00 C ATOM 49 OG1 THR A 6 -10.453 -11.840 -6.749 1.00 0.00 O ATOM 50 CG2 THR A 6 -9.199 -13.663 -5.871 1.00 0.00 C ATOM 0 H THR A 6 -8.084 -14.777 -7.905 1.00 0.00 H new ATOM 0 HA THR A 6 -9.591 -12.529 -9.128 1.00 0.00 H new ATOM 0 HB THR A 6 -10.631 -13.813 -7.435 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.048 -11.963 -5.980 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.929 -13.770 -5.069 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.776 -14.639 -6.108 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.403 -12.991 -5.550 1.00 0.00 H new ATOM 58 N GLY A 7 -8.049 -10.640 -8.445 1.00 0.00 N ATOM 59 CA GLY A 7 -7.057 -9.601 -8.177 1.00 0.00 C ATOM 60 C GLY A 7 -7.616 -8.294 -7.637 1.00 0.00 C ATOM 61 O GLY A 7 -8.755 -8.172 -7.183 1.00 0.00 O ATOM 0 H GLY A 7 -8.876 -10.330 -8.956 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.332 -9.990 -7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.515 -9.392 -9.099 1.00 0.00 H new ATOM 65 N LEU A 8 -6.713 -7.323 -7.679 1.00 0.00 N ATOM 66 CA LEU A 8 -6.955 -6.005 -7.099 1.00 0.00 C ATOM 67 C LEU A 8 -6.573 -4.956 -8.138 1.00 0.00 C ATOM 68 O LEU A 8 -5.554 -5.074 -8.819 1.00 0.00 O ATOM 69 CB LEU A 8 -6.042 -5.866 -5.863 1.00 0.00 C ATOM 70 CG LEU A 8 -6.157 -4.506 -5.162 1.00 0.00 C ATOM 71 CD1 LEU A 8 -7.604 -4.146 -4.820 1.00 0.00 C ATOM 72 CD2 LEU A 8 -5.299 -4.486 -3.897 1.00 0.00 C ATOM 0 H LEU A 8 -5.796 -7.424 -8.114 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.999 -5.876 -6.812 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.287 -6.654 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.007 -6.022 -6.167 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.792 -3.754 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.630 -3.175 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.194 -4.103 -5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.020 -4.903 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.391 -3.515 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.637 -5.267 -3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.256 -4.662 -4.162 1.00 0.00 H new ATOM 84 N LEU A 9 -7.373 -3.902 -8.234 1.00 0.00 N ATOM 85 CA LEU A 9 -6.974 -2.738 -9.014 1.00 0.00 C ATOM 86 C LEU A 9 -7.062 -1.542 -8.051 1.00 0.00 C ATOM 87 O LEU A 9 -8.060 -1.316 -7.366 1.00 0.00 O ATOM 88 CB LEU A 9 -7.891 -2.823 -10.246 1.00 0.00 C ATOM 89 CG LEU A 9 -7.801 -1.810 -11.387 1.00 0.00 C ATOM 90 CD1 LEU A 9 -9.074 -0.981 -11.437 1.00 0.00 C ATOM 91 CD2 LEU A 9 -6.586 -0.911 -11.295 1.00 0.00 C ATOM 0 H LEU A 9 -8.288 -3.828 -7.789 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.961 -2.654 -9.408 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.738 -3.808 -10.686 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.917 -2.794 -9.878 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.689 -2.378 -12.310 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.007 -0.260 -12.251 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.929 -1.637 -11.603 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.201 -0.451 -10.493 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.583 -0.216 -12.135 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.618 -0.351 -10.361 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.681 -1.518 -11.323 1.00 0.00 H new ATOM 103 N LEU A 10 -5.972 -0.786 -8.021 1.00 0.00 N ATOM 104 CA LEU A 10 -5.822 0.356 -7.100 1.00 0.00 C ATOM 105 C LEU A 10 -5.573 1.589 -7.981 1.00 0.00 C ATOM 106 O LEU A 10 -4.660 1.606 -8.803 1.00 0.00 O ATOM 107 CB LEU A 10 -4.680 0.133 -6.076 1.00 0.00 C ATOM 108 CG LEU A 10 -5.073 0.520 -4.648 1.00 0.00 C ATOM 109 CD1 LEU A 10 -3.953 0.170 -3.670 1.00 0.00 C ATOM 110 CD2 LEU A 10 -5.416 2.005 -4.514 1.00 0.00 C ATOM 0 H LEU A 10 -5.166 -0.938 -8.627 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.719 0.486 -6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.383 -0.916 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.810 0.716 -6.378 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.969 -0.052 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.250 0.452 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.761 -0.902 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.047 0.710 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.687 2.224 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.551 2.605 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.254 2.245 -5.168 1.00 0.00 H new ATOM 122 N ILE A 11 -6.436 2.589 -7.895 1.00 0.00 N ATOM 123 CA ILE A 11 -6.487 3.635 -8.933 1.00 0.00 C ATOM 124 C ILE A 11 -6.424 5.022 -8.285 1.00 0.00 C ATOM 125 O ILE A 11 -7.080 5.283 -7.275 1.00 0.00 O ATOM 126 CB ILE A 11 -7.756 3.388 -9.787 1.00 0.00 C ATOM 127 CG1 ILE A 11 -8.104 4.575 -10.699 1.00 0.00 C ATOM 128 CG2 ILE A 11 -8.988 2.982 -8.954 1.00 0.00 C ATOM 129 CD1 ILE A 11 -9.190 4.218 -11.720 1.00 0.00 C ATOM 0 H ILE A 11 -7.105 2.708 -7.135 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.626 3.593 -9.600 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.494 2.540 -10.419 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.441 5.413 -10.089 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.207 4.903 -11.224 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.839 2.825 -9.616 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.774 2.060 -8.414 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.223 3.773 -8.242 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.404 5.087 -12.343 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.843 3.398 -12.348 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.097 3.915 -11.196 1.00 0.00 H new ATOM 141 N HIS A 12 -5.678 5.939 -8.904 1.00 0.00 N ATOM 142 CA HIS A 12 -5.701 7.338 -8.452 1.00 0.00 C ATOM 143 C HIS A 12 -6.494 8.156 -9.488 1.00 0.00 C ATOM 144 O HIS A 12 -6.199 8.064 -10.681 1.00 0.00 O ATOM 145 CB HIS A 12 -4.250 7.838 -8.390 1.00 0.00 C ATOM 146 CG HIS A 12 -4.029 9.307 -8.046 1.00 0.00 C ATOM 147 ND1 HIS A 12 -4.941 10.151 -7.434 1.00 0.00 N ATOM 148 CD2 HIS A 12 -2.882 10.018 -8.432 1.00 0.00 C ATOM 149 CE1 HIS A 12 -4.224 11.319 -7.518 1.00 0.00 C ATOM 150 NE2 HIS A 12 -2.985 11.341 -8.082 1.00 0.00 N ATOM 0 H HIS A 12 -5.066 5.750 -9.698 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.166 7.437 -7.471 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.717 7.236 -7.654 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.785 7.645 -9.357 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.032 9.582 -8.937 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -4.649 12.233 -7.131 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -2.329 12.112 -8.207 1.00 0.00 H new ATOM 158 N PRO A 13 -7.483 8.967 -9.090 1.00 0.00 N ATOM 159 CA PRO A 13 -8.399 9.604 -10.053 1.00 0.00 C ATOM 160 C PRO A 13 -7.868 10.581 -11.110 1.00 0.00 C ATOM 161 O PRO A 13 -8.650 11.037 -11.944 1.00 0.00 O ATOM 162 CB PRO A 13 -9.276 10.419 -9.108 1.00 0.00 C ATOM 163 CG PRO A 13 -9.429 9.534 -7.880 1.00 0.00 C ATOM 164 CD PRO A 13 -8.051 8.896 -7.733 1.00 0.00 C ATOM 0 HA PRO A 13 -8.818 8.815 -10.677 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.811 11.372 -8.856 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.243 10.645 -9.558 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.700 10.114 -6.998 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.207 8.783 -8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.435 9.435 -7.013 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.122 7.866 -7.383 1.00 0.00 H new ATOM 172 N ALA A 14 -6.626 11.038 -11.022 1.00 0.00 N ATOM 173 CA ALA A 14 -6.258 12.253 -11.776 1.00 0.00 C ATOM 174 C ALA A 14 -6.254 12.119 -13.302 1.00 0.00 C ATOM 175 O ALA A 14 -6.898 12.918 -13.984 1.00 0.00 O ATOM 176 CB ALA A 14 -4.888 12.735 -11.312 1.00 0.00 C ATOM 0 H ALA A 14 -5.880 10.618 -10.467 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.047 12.972 -11.557 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.611 13.632 -11.866 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.924 12.963 -10.247 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.148 11.955 -11.492 1.00 0.00 H new ATOM 182 N VAL A 15 -5.594 11.103 -13.848 1.00 0.00 N ATOM 183 CA VAL A 15 -5.763 10.802 -15.281 1.00 0.00 C ATOM 184 C VAL A 15 -6.931 9.808 -15.470 1.00 0.00 C ATOM 185 O VAL A 15 -7.602 9.817 -16.503 1.00 0.00 O ATOM 186 CB VAL A 15 -4.429 10.311 -15.887 1.00 0.00 C ATOM 187 CG1 VAL A 15 -4.597 9.750 -17.305 1.00 0.00 C ATOM 188 CG2 VAL A 15 -3.422 11.467 -15.962 1.00 0.00 C ATOM 0 H VAL A 15 -4.955 10.486 -13.346 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.028 11.707 -15.828 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.072 9.516 -15.232 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.629 9.420 -17.683 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.285 8.905 -17.283 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.996 10.526 -17.958 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.487 11.107 -16.391 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.827 12.262 -16.589 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.237 11.854 -14.960 1.00 0.00 H new ATOM 198 N THR A 16 -7.165 8.943 -14.485 1.00 0.00 N ATOM 199 CA THR A 16 -8.100 7.824 -14.643 1.00 0.00 C ATOM 200 C THR A 16 -9.583 8.157 -14.391 1.00 0.00 C ATOM 201 O THR A 16 -10.427 7.276 -14.563 1.00 0.00 O ATOM 202 CB THR A 16 -7.667 6.715 -13.675 1.00 0.00 C ATOM 203 OG1 THR A 16 -7.917 7.128 -12.339 1.00 0.00 O ATOM 204 CG2 THR A 16 -6.193 6.314 -13.806 1.00 0.00 C ATOM 0 H THR A 16 -6.721 8.993 -13.568 1.00 0.00 H new ATOM 0 HA THR A 16 -8.050 7.526 -15.690 1.00 0.00 H new ATOM 0 HB THR A 16 -8.255 5.836 -13.937 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.067 7.213 -11.859 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.965 5.526 -13.089 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.003 5.951 -14.816 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.561 7.180 -13.606 1.00 0.00 H new ATOM 212 N THR A 17 -9.950 9.400 -14.057 1.00 0.00 N ATOM 213 CA THR A 17 -11.383 9.757 -14.026 1.00 0.00 C ATOM 214 C THR A 17 -11.998 9.976 -15.426 1.00 0.00 C ATOM 215 O THR A 17 -13.184 10.290 -15.534 1.00 0.00 O ATOM 216 CB THR A 17 -11.576 10.991 -13.127 1.00 0.00 C ATOM 217 OG1 THR A 17 -12.964 11.205 -12.912 1.00 0.00 O ATOM 218 CG2 THR A 17 -10.967 12.274 -13.706 1.00 0.00 C ATOM 0 H THR A 17 -9.307 10.153 -13.812 1.00 0.00 H new ATOM 0 HA THR A 17 -11.924 8.907 -13.610 1.00 0.00 H new ATOM 0 HB THR A 17 -11.053 10.778 -12.195 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.458 10.997 -13.732 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.141 13.102 -13.019 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.895 12.137 -13.845 1.00 0.00 H new ATOM 0 HG23 THR A 17 -11.432 12.496 -14.667 1.00 0.00 H new ATOM 226 N THR A 18 -11.246 9.717 -16.496 1.00 0.00 N ATOM 227 CA THR A 18 -11.861 9.585 -17.822 1.00 0.00 C ATOM 228 C THR A 18 -12.007 8.054 -18.075 1.00 0.00 C ATOM 229 O THR A 18 -11.420 7.257 -17.338 1.00 0.00 O ATOM 230 CB THR A 18 -10.807 10.322 -18.699 1.00 0.00 C ATOM 231 OG1 THR A 18 -10.702 11.668 -18.243 1.00 0.00 O ATOM 232 CG2 THR A 18 -11.044 10.406 -20.208 1.00 0.00 C ATOM 0 H THR A 18 -10.233 9.596 -16.477 1.00 0.00 H new ATOM 0 HA THR A 18 -12.854 10.000 -17.998 1.00 0.00 H new ATOM 0 HB THR A 18 -9.917 9.705 -18.578 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.040 12.146 -18.785 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.223 10.949 -20.676 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.098 9.400 -20.624 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.981 10.929 -20.401 1.00 0.00 H new ATOM 240 N PRO A 19 -12.742 7.563 -19.083 1.00 0.00 N ATOM 241 CA PRO A 19 -13.026 6.111 -19.169 1.00 0.00 C ATOM 242 C PRO A 19 -11.897 5.205 -19.689 1.00 0.00 C ATOM 243 O PRO A 19 -12.020 3.982 -19.620 1.00 0.00 O ATOM 244 CB PRO A 19 -14.284 6.020 -20.043 1.00 0.00 C ATOM 245 CG PRO A 19 -14.410 7.384 -20.712 1.00 0.00 C ATOM 246 CD PRO A 19 -13.843 8.340 -19.669 1.00 0.00 C ATOM 0 HA PRO A 19 -13.152 5.718 -18.160 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.191 5.226 -20.784 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.165 5.794 -19.442 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.848 7.428 -21.645 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.447 7.620 -20.952 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.489 9.267 -20.120 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.588 8.613 -18.922 1.00 0.00 H new ATOM 254 N GLU A 20 -10.843 5.759 -20.278 1.00 0.00 N ATOM 255 CA GLU A 20 -9.963 4.941 -21.133 1.00 0.00 C ATOM 256 C GLU A 20 -9.044 3.978 -20.372 1.00 0.00 C ATOM 257 O GLU A 20 -8.999 2.797 -20.709 1.00 0.00 O ATOM 258 CB GLU A 20 -9.107 5.855 -22.017 1.00 0.00 C ATOM 259 CG GLU A 20 -9.924 6.608 -23.072 1.00 0.00 C ATOM 260 CD GLU A 20 -9.036 7.528 -23.898 1.00 0.00 C ATOM 261 OE1 GLU A 20 -8.508 7.081 -24.939 1.00 0.00 O ATOM 262 OE2 GLU A 20 -8.861 8.705 -23.513 1.00 0.00 O ATOM 0 H GLU A 20 -10.575 6.739 -20.190 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.631 4.318 -21.728 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.586 6.576 -21.387 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.344 5.257 -22.516 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.423 5.894 -23.727 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.704 7.192 -22.584 1.00 0.00 H new ATOM 269 N LEU A 21 -8.307 4.444 -19.364 1.00 0.00 N ATOM 270 CA LEU A 21 -7.409 3.543 -18.615 1.00 0.00 C ATOM 271 C LEU A 21 -8.188 2.524 -17.759 1.00 0.00 C ATOM 272 O LEU A 21 -7.711 1.411 -17.534 1.00 0.00 O ATOM 273 CB LEU A 21 -6.436 4.358 -17.744 1.00 0.00 C ATOM 274 CG LEU A 21 -5.374 5.168 -18.514 1.00 0.00 C ATOM 275 CD1 LEU A 21 -5.947 6.391 -19.243 1.00 0.00 C ATOM 276 CD2 LEU A 21 -4.303 5.656 -17.536 1.00 0.00 C ATOM 0 H LEU A 21 -8.307 5.414 -19.047 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.836 2.973 -19.346 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.016 5.046 -17.128 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.925 3.675 -17.065 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.962 4.497 -19.268 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.144 6.914 -19.763 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.696 6.066 -19.965 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.408 7.063 -18.519 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.550 6.229 -18.077 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.764 6.288 -16.777 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.831 4.799 -17.056 1.00 0.00 H new ATOM 288 N VAL A 22 -9.383 2.885 -17.286 1.00 0.00 N ATOM 289 CA VAL A 22 -10.259 1.907 -16.607 1.00 0.00 C ATOM 290 C VAL A 22 -10.746 0.823 -17.591 1.00 0.00 C ATOM 291 O VAL A 22 -10.609 -0.364 -17.305 1.00 0.00 O ATOM 292 CB VAL A 22 -11.391 2.673 -15.887 1.00 0.00 C ATOM 293 CG1 VAL A 22 -12.652 1.838 -15.633 1.00 0.00 C ATOM 294 CG2 VAL A 22 -10.874 3.180 -14.536 1.00 0.00 C ATOM 0 H VAL A 22 -9.768 3.827 -17.355 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.708 1.357 -15.844 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.675 3.487 -16.554 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.397 2.450 -15.124 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.056 1.490 -16.584 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.401 0.980 -15.010 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.668 3.722 -14.023 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.559 2.333 -13.926 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.026 3.846 -14.697 1.00 0.00 H new ATOM 304 N GLU A 23 -11.279 1.198 -18.753 1.00 0.00 N ATOM 305 CA GLU A 23 -11.652 0.190 -19.769 1.00 0.00 C ATOM 306 C GLU A 23 -10.465 -0.669 -20.240 1.00 0.00 C ATOM 307 O GLU A 23 -10.621 -1.860 -20.496 1.00 0.00 O ATOM 308 CB GLU A 23 -12.260 0.889 -20.991 1.00 0.00 C ATOM 309 CG GLU A 23 -13.655 1.460 -20.716 1.00 0.00 C ATOM 310 CD GLU A 23 -14.211 2.167 -21.947 1.00 0.00 C ATOM 311 OE1 GLU A 23 -13.676 3.231 -22.324 1.00 0.00 O ATOM 312 OE2 GLU A 23 -15.187 1.661 -22.542 1.00 0.00 O ATOM 0 H GLU A 23 -11.463 2.165 -19.019 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.372 -0.475 -19.292 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.599 1.695 -21.309 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.319 0.180 -21.817 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.328 0.656 -20.419 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.607 2.160 -19.882 1.00 0.00 H new ATOM 319 N ASN A 24 -9.290 -0.063 -20.355 1.00 0.00 N ATOM 320 CA ASN A 24 -8.061 -0.781 -20.722 1.00 0.00 C ATOM 321 C ASN A 24 -7.646 -1.871 -19.723 1.00 0.00 C ATOM 322 O ASN A 24 -7.380 -3.002 -20.130 1.00 0.00 O ATOM 323 CB ASN A 24 -6.971 0.295 -20.768 1.00 0.00 C ATOM 324 CG ASN A 24 -6.925 1.093 -22.073 1.00 0.00 C ATOM 325 OD1 ASN A 24 -7.805 1.008 -22.927 1.00 0.00 O ATOM 326 ND2 ASN A 24 -5.886 1.892 -22.235 1.00 0.00 N ATOM 0 H ASN A 24 -9.155 0.936 -20.199 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.219 -1.303 -21.666 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.124 0.986 -19.939 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.002 -0.180 -20.612 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.802 2.454 -23.082 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.167 1.947 -21.513 1.00 0.00 H new ATOM 333 N THR A 25 -7.583 -1.558 -18.426 1.00 0.00 N ATOM 334 CA THR A 25 -7.227 -2.596 -17.438 1.00 0.00 C ATOM 335 C THR A 25 -8.312 -3.686 -17.341 1.00 0.00 C ATOM 336 O THR A 25 -7.998 -4.873 -17.241 1.00 0.00 O ATOM 337 CB THR A 25 -6.856 -1.974 -16.077 1.00 0.00 C ATOM 338 OG1 THR A 25 -6.277 -2.978 -15.256 1.00 0.00 O ATOM 339 CG2 THR A 25 -8.027 -1.347 -15.318 1.00 0.00 C ATOM 0 H THR A 25 -7.765 -0.632 -18.039 1.00 0.00 H new ATOM 0 HA THR A 25 -6.330 -3.104 -17.790 1.00 0.00 H new ATOM 0 HB THR A 25 -6.163 -1.163 -16.299 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.036 -2.592 -14.388 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.670 -0.936 -14.374 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.465 -0.550 -15.919 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.782 -2.108 -15.120 1.00 0.00 H new ATOM 347 N LYS A 26 -9.582 -3.292 -17.438 1.00 0.00 N ATOM 348 CA LYS A 26 -10.668 -4.269 -17.575 1.00 0.00 C ATOM 349 C LYS A 26 -10.594 -5.064 -18.895 1.00 0.00 C ATOM 350 O LYS A 26 -11.019 -6.218 -18.923 1.00 0.00 O ATOM 351 CB LYS A 26 -12.016 -3.539 -17.486 1.00 0.00 C ATOM 352 CG LYS A 26 -12.241 -2.795 -16.159 1.00 0.00 C ATOM 353 CD LYS A 26 -12.303 -3.740 -14.958 1.00 0.00 C ATOM 354 CE LYS A 26 -12.656 -2.975 -13.681 1.00 0.00 C ATOM 355 NZ LYS A 26 -12.755 -3.901 -12.541 1.00 0.00 N ATOM 0 H LYS A 26 -9.884 -2.318 -17.425 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.565 -4.990 -16.764 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.085 -2.825 -18.307 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.819 -4.263 -17.625 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.436 -2.075 -16.009 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.169 -2.227 -16.218 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.046 -4.517 -15.139 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.343 -4.240 -14.834 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.896 -2.220 -13.480 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.601 -2.449 -13.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.747 -3.970 -12.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.415 -4.841 -12.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.174 -3.547 -11.755 1.00 0.00 H new ATOM 369 N ALA A 27 -10.085 -4.485 -19.987 1.00 0.00 N ATOM 370 CA ALA A 27 -9.980 -5.234 -21.253 1.00 0.00 C ATOM 371 C ALA A 27 -8.932 -6.352 -21.208 1.00 0.00 C ATOM 372 O ALA A 27 -9.205 -7.481 -21.623 1.00 0.00 O ATOM 373 CB ALA A 27 -9.693 -4.267 -22.404 1.00 0.00 C ATOM 0 H ALA A 27 -9.745 -3.524 -20.027 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.939 -5.726 -21.416 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.616 -4.825 -23.337 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.503 -3.542 -22.480 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.755 -3.745 -22.215 1.00 0.00 H new ATOM 379 N GLN A 28 -7.745 -6.050 -20.688 1.00 0.00 N ATOM 380 CA GLN A 28 -6.736 -7.096 -20.435 1.00 0.00 C ATOM 381 C GLN A 28 -7.295 -8.197 -19.523 1.00 0.00 C ATOM 382 O GLN A 28 -7.276 -9.380 -19.862 1.00 0.00 O ATOM 383 CB GLN A 28 -5.541 -6.494 -19.692 1.00 0.00 C ATOM 384 CG GLN A 28 -4.704 -5.486 -20.489 1.00 0.00 C ATOM 385 CD GLN A 28 -3.647 -4.883 -19.569 1.00 0.00 C ATOM 386 OE1 GLN A 28 -4.101 -4.142 -18.574 1.00 0.00 O flip ATOM 387 NE2 GLN A 28 -2.446 -5.100 -19.722 1.00 0.00 N flip ATOM 0 H GLN A 28 -7.453 -5.106 -20.434 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.451 -7.507 -21.404 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.907 -6.003 -18.790 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.889 -7.306 -19.370 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.229 -5.978 -21.337 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.344 -4.701 -20.893 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.127 -5.677 -20.501 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.769 -4.703 -19.070 1.00 0.00 H new ATOM 396 N ALA A 29 -7.800 -7.778 -18.363 1.00 0.00 N ATOM 397 CA ALA A 29 -8.439 -8.707 -17.415 1.00 0.00 C ATOM 398 C ALA A 29 -9.528 -9.595 -18.046 1.00 0.00 C ATOM 399 O ALA A 29 -9.649 -10.776 -17.719 1.00 0.00 O ATOM 400 CB ALA A 29 -9.040 -7.832 -16.314 1.00 0.00 C ATOM 0 H ALA A 29 -7.782 -6.807 -18.053 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.693 -9.408 -17.042 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.532 -8.464 -15.575 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.248 -7.259 -15.832 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.769 -7.149 -16.750 1.00 0.00 H new ATOM 406 N ALA A 30 -10.336 -9.017 -18.929 1.00 0.00 N ATOM 407 CA ALA A 30 -11.538 -9.716 -19.421 1.00 0.00 C ATOM 408 C ALA A 30 -11.270 -10.704 -20.568 1.00 0.00 C ATOM 409 O ALA A 30 -11.669 -11.865 -20.477 1.00 0.00 O ATOM 410 CB ALA A 30 -12.575 -8.678 -19.857 1.00 0.00 C ATOM 0 H ALA A 30 -10.193 -8.085 -19.318 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.908 -10.321 -18.593 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.467 -9.186 -20.222 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.839 -8.048 -19.008 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.159 -8.060 -20.652 1.00 0.00 H new ATOM 416 N SER A 31 -10.563 -10.292 -21.625 1.00 0.00 N ATOM 417 CA SER A 31 -10.102 -11.250 -22.647 1.00 0.00 C ATOM 418 C SER A 31 -9.157 -12.363 -22.154 1.00 0.00 C ATOM 419 O SER A 31 -9.127 -13.445 -22.742 1.00 0.00 O ATOM 420 CB SER A 31 -9.425 -10.462 -23.775 1.00 0.00 C ATOM 421 OG SER A 31 -8.260 -9.800 -23.300 1.00 0.00 O ATOM 0 H SER A 31 -10.299 -9.322 -21.798 1.00 0.00 H new ATOM 0 HA SER A 31 -10.994 -11.780 -22.980 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.159 -11.138 -24.588 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.123 -9.731 -24.184 1.00 0.00 H new ATOM 0 HG SER A 31 -8.521 -9.034 -22.748 1.00 0.00 H new ATOM 427 N LYS A 32 -8.436 -12.144 -21.057 1.00 0.00 N ATOM 428 CA LYS A 32 -7.682 -13.224 -20.417 1.00 0.00 C ATOM 429 C LYS A 32 -8.583 -14.004 -19.442 1.00 0.00 C ATOM 430 O LYS A 32 -9.637 -14.519 -19.817 1.00 0.00 O ATOM 431 CB LYS A 32 -6.442 -12.582 -19.767 1.00 0.00 C ATOM 432 CG LYS A 32 -5.482 -11.945 -20.782 1.00 0.00 C ATOM 433 CD LYS A 32 -4.281 -11.303 -20.080 1.00 0.00 C ATOM 434 CE LYS A 32 -3.347 -10.629 -21.089 1.00 0.00 C ATOM 435 NZ LYS A 32 -2.207 -10.013 -20.392 1.00 0.00 N ATOM 0 H LYS A 32 -8.357 -11.238 -20.595 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.341 -13.973 -21.132 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.766 -11.821 -19.057 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.906 -13.341 -19.197 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.134 -12.703 -21.483 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.012 -11.191 -21.365 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.630 -10.567 -19.355 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.732 -12.063 -19.524 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.988 -11.363 -21.810 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.892 -9.871 -21.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.580 -9.559 -21.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.555 -9.299 -19.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.679 -10.745 -19.876 1.00 0.00 H new ATOM 449 N LYS A 33 -8.126 -14.138 -18.205 1.00 0.00 N ATOM 450 CA LYS A 33 -8.754 -15.058 -17.238 1.00 0.00 C ATOM 451 C LYS A 33 -8.744 -14.543 -15.784 1.00 0.00 C ATOM 452 O LYS A 33 -9.433 -15.066 -14.911 1.00 0.00 O ATOM 453 CB LYS A 33 -8.009 -16.394 -17.352 1.00 0.00 C ATOM 454 CG LYS A 33 -8.792 -17.592 -16.806 1.00 0.00 C ATOM 455 CD LYS A 33 -10.129 -17.724 -17.544 1.00 0.00 C ATOM 456 CE LYS A 33 -10.733 -19.128 -17.455 1.00 0.00 C ATOM 457 NZ LYS A 33 -9.927 -20.107 -18.204 1.00 0.00 N ATOM 0 H LYS A 33 -7.324 -13.626 -17.837 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.811 -15.158 -17.483 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.769 -16.576 -18.400 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.062 -16.317 -16.817 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.208 -18.505 -16.928 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.968 -17.466 -15.738 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.836 -17.005 -17.131 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.985 -17.464 -18.593 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.799 -19.432 -16.410 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.750 -19.114 -17.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.490 -20.965 -18.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.642 -19.697 -19.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.079 -20.351 -17.654 1.00 0.00 H new ATOM 471 N VAL A 34 -8.024 -13.459 -15.558 1.00 0.00 N ATOM 472 CA VAL A 34 -8.066 -12.717 -14.291 1.00 0.00 C ATOM 473 C VAL A 34 -9.000 -11.511 -14.454 1.00 0.00 C ATOM 474 O VAL A 34 -8.668 -10.551 -15.143 1.00 0.00 O ATOM 475 CB VAL A 34 -6.634 -12.284 -13.897 1.00 0.00 C ATOM 476 CG1 VAL A 34 -5.818 -11.657 -15.040 1.00 0.00 C ATOM 477 CG2 VAL A 34 -6.666 -11.282 -12.737 1.00 0.00 C ATOM 0 H VAL A 34 -7.387 -13.059 -16.247 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.454 -13.346 -13.490 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.140 -13.212 -13.610 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.828 -11.384 -14.673 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.718 -12.376 -15.853 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.328 -10.766 -15.405 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.648 -10.993 -12.478 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.230 -10.398 -13.035 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.143 -11.742 -11.872 1.00 0.00 H new ATOM 487 N LYS A 35 -10.154 -11.545 -13.791 1.00 0.00 N ATOM 488 CA LYS A 35 -11.005 -10.340 -13.726 1.00 0.00 C ATOM 489 C LYS A 35 -10.777 -9.619 -12.390 1.00 0.00 C ATOM 490 O LYS A 35 -10.517 -10.244 -11.358 1.00 0.00 O ATOM 491 CB LYS A 35 -12.492 -10.688 -13.933 1.00 0.00 C ATOM 492 CG LYS A 35 -12.741 -11.406 -15.267 1.00 0.00 C ATOM 493 CD LYS A 35 -14.236 -11.612 -15.523 1.00 0.00 C ATOM 494 CE LYS A 35 -14.467 -12.350 -16.843 1.00 0.00 C ATOM 495 NZ LYS A 35 -15.908 -12.540 -17.076 1.00 0.00 N ATOM 0 H LYS A 35 -10.521 -12.362 -13.303 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.723 -9.669 -14.537 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.833 -11.320 -13.113 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.085 -9.774 -13.898 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.308 -10.824 -16.081 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.235 -12.372 -15.262 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.675 -12.180 -14.703 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.741 -10.646 -15.548 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.030 -11.784 -17.666 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.965 -13.317 -16.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.051 -13.042 -17.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.315 -13.099 -16.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.378 -11.613 -17.119 1.00 0.00 H new ATOM 509 N PHE A 36 -10.873 -8.289 -12.412 1.00 0.00 N ATOM 510 CA PHE A 36 -10.525 -7.495 -11.210 1.00 0.00 C ATOM 511 C PHE A 36 -11.751 -7.326 -10.306 1.00 0.00 C ATOM 512 O PHE A 36 -12.657 -6.524 -10.536 1.00 0.00 O ATOM 513 CB PHE A 36 -9.874 -6.125 -11.484 1.00 0.00 C ATOM 514 CG PHE A 36 -8.469 -6.290 -12.048 1.00 0.00 C ATOM 515 CD1 PHE A 36 -7.487 -6.819 -11.265 1.00 0.00 C ATOM 516 CD2 PHE A 36 -8.192 -5.963 -13.341 1.00 0.00 C ATOM 517 CE1 PHE A 36 -6.254 -7.059 -11.782 1.00 0.00 C ATOM 518 CE2 PHE A 36 -6.956 -6.199 -13.853 1.00 0.00 C ATOM 519 CZ PHE A 36 -5.997 -6.770 -13.081 1.00 0.00 C ATOM 0 H PHE A 36 -11.178 -7.743 -13.217 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.754 -8.079 -10.707 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.488 -5.561 -12.187 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.833 -5.547 -10.561 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.690 -7.048 -10.229 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.956 -5.516 -13.960 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.479 -7.480 -11.158 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.736 -5.932 -14.876 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.028 -6.994 -13.502 1.00 0.00 H new ATOM 529 N VAL A 37 -11.742 -8.166 -9.282 1.00 0.00 N ATOM 530 CA VAL A 37 -12.858 -8.274 -8.325 1.00 0.00 C ATOM 531 C VAL A 37 -13.016 -7.033 -7.435 1.00 0.00 C ATOM 532 O VAL A 37 -14.143 -6.681 -7.087 1.00 0.00 O ATOM 533 CB VAL A 37 -12.699 -9.562 -7.476 1.00 0.00 C ATOM 534 CG1 VAL A 37 -13.857 -9.780 -6.509 1.00 0.00 C ATOM 535 CG2 VAL A 37 -12.611 -10.796 -8.383 1.00 0.00 C ATOM 0 H VAL A 37 -10.966 -8.797 -9.082 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.778 -8.336 -8.906 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.782 -9.429 -6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.690 -10.696 -5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.922 -8.936 -5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -14.788 -9.864 -7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.500 -11.691 -7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.520 -10.875 -8.979 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.750 -10.700 -9.045 1.00 0.00 H new ATOM 545 N ASP A 38 -11.920 -6.396 -7.025 1.00 0.00 N ATOM 546 CA ASP A 38 -12.027 -5.335 -6.012 1.00 0.00 C ATOM 547 C ASP A 38 -11.472 -4.007 -6.534 1.00 0.00 C ATOM 548 O ASP A 38 -10.862 -3.924 -7.601 1.00 0.00 O ATOM 549 CB ASP A 38 -11.342 -5.780 -4.712 1.00 0.00 C ATOM 550 CG ASP A 38 -11.881 -7.116 -4.203 1.00 0.00 C ATOM 551 OD1 ASP A 38 -13.073 -7.194 -3.832 1.00 0.00 O ATOM 552 OD2 ASP A 38 -11.116 -8.102 -4.200 1.00 0.00 O ATOM 0 H ASP A 38 -10.976 -6.583 -7.362 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.081 -5.163 -5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.268 -5.864 -4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.487 -5.017 -3.947 1.00 0.00 H new ATOM 557 N GLN A 39 -11.728 -2.954 -5.765 1.00 0.00 N ATOM 558 CA GLN A 39 -11.471 -1.587 -6.238 1.00 0.00 C ATOM 559 C GLN A 39 -11.135 -0.717 -5.041 1.00 0.00 C ATOM 560 O GLN A 39 -11.892 -0.641 -4.071 1.00 0.00 O ATOM 561 CB GLN A 39 -12.676 -0.901 -6.881 1.00 0.00 C ATOM 562 CG GLN A 39 -13.231 -1.627 -8.095 1.00 0.00 C ATOM 563 CD GLN A 39 -12.354 -1.507 -9.340 1.00 0.00 C ATOM 564 OE1 GLN A 39 -11.658 -2.441 -9.735 1.00 0.00 O ATOM 565 NE2 GLN A 39 -12.387 -0.355 -9.987 1.00 0.00 N ATOM 0 H GLN A 39 -12.109 -3.013 -4.821 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.676 -1.685 -6.977 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.466 -0.806 -6.136 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.391 0.109 -7.175 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.356 -2.682 -7.850 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.222 -1.233 -8.321 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.971 0.407 -9.642 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.828 -0.228 -10.831 1.00 0.00 H new ATOM 574 N PHE A 40 -9.998 -0.059 -5.117 1.00 0.00 N ATOM 575 CA PHE A 40 -9.639 0.903 -4.071 1.00 0.00 C ATOM 576 C PHE A 40 -9.160 2.179 -4.759 1.00 0.00 C ATOM 577 O PHE A 40 -8.241 2.157 -5.573 1.00 0.00 O ATOM 578 CB PHE A 40 -8.576 0.350 -3.134 1.00 0.00 C ATOM 579 CG PHE A 40 -8.968 -0.847 -2.276 1.00 0.00 C ATOM 580 CD1 PHE A 40 -10.096 -0.842 -1.516 1.00 0.00 C ATOM 581 CD2 PHE A 40 -8.136 -1.922 -2.231 1.00 0.00 C ATOM 582 CE1 PHE A 40 -10.399 -1.913 -0.735 1.00 0.00 C ATOM 583 CE2 PHE A 40 -8.446 -2.998 -1.462 1.00 0.00 C ATOM 584 CZ PHE A 40 -9.574 -2.991 -0.710 1.00 0.00 C ATOM 0 H PHE A 40 -9.315 -0.161 -5.868 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.510 1.112 -3.449 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.709 0.069 -3.732 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.258 1.154 -2.470 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.753 0.015 -1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.224 -1.920 -2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.296 -1.906 -0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.794 -3.859 -1.450 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.816 -3.842 -0.091 1.00 0.00 H new ATOM 594 N LEU A 41 -9.831 3.288 -4.490 1.00 0.00 N ATOM 595 CA LEU A 41 -9.325 4.586 -4.950 1.00 0.00 C ATOM 596 C LEU A 41 -8.371 5.116 -3.874 1.00 0.00 C ATOM 597 O LEU A 41 -8.541 4.837 -2.686 1.00 0.00 O ATOM 598 CB LEU A 41 -10.545 5.509 -5.111 1.00 0.00 C ATOM 599 CG LEU A 41 -11.390 5.169 -6.349 1.00 0.00 C ATOM 600 CD1 LEU A 41 -12.850 5.581 -6.140 1.00 0.00 C ATOM 601 CD2 LEU A 41 -10.845 5.881 -7.588 1.00 0.00 C ATOM 0 H LEU A 41 -10.707 3.325 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.789 4.522 -5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.169 5.438 -4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.206 6.543 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 41 -11.337 4.091 -6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.429 5.331 -7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.258 5.051 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.903 6.655 -5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.458 5.627 -8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.871 6.959 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.817 5.566 -7.766 1.00 0.00 H new ATOM 613 N ILE A 42 -7.358 5.887 -4.266 1.00 0.00 N ATOM 614 CA ILE A 42 -6.359 6.354 -3.289 1.00 0.00 C ATOM 615 C ILE A 42 -6.921 7.278 -2.192 1.00 0.00 C ATOM 616 O ILE A 42 -6.547 7.146 -1.024 1.00 0.00 O ATOM 617 CB ILE A 42 -5.145 6.898 -4.073 1.00 0.00 C ATOM 618 CG1 ILE A 42 -3.915 7.127 -3.195 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.420 8.208 -4.815 1.00 0.00 C ATOM 620 CD1 ILE A 42 -3.596 5.931 -2.295 1.00 0.00 C ATOM 0 H ILE A 42 -7.203 6.198 -5.225 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.020 5.514 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.950 6.106 -4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.055 7.337 -3.831 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.076 8.009 -2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.519 8.524 -5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.225 8.057 -5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.712 8.977 -4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.713 6.152 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.442 5.735 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.405 5.053 -2.911 1.00 0.00 H new ATOM 632 N ASN A 43 -7.826 8.194 -2.534 1.00 0.00 N ATOM 633 CA ASN A 43 -8.380 9.100 -1.511 1.00 0.00 C ATOM 634 C ASN A 43 -9.474 8.437 -0.655 1.00 0.00 C ATOM 635 O ASN A 43 -9.601 8.749 0.530 1.00 0.00 O ATOM 636 CB ASN A 43 -8.957 10.353 -2.191 1.00 0.00 C ATOM 637 CG ASN A 43 -7.899 11.181 -2.921 1.00 0.00 C ATOM 638 OD1 ASN A 43 -7.668 11.016 -4.119 1.00 0.00 O ATOM 639 ND2 ASN A 43 -7.244 12.081 -2.211 1.00 0.00 N ATOM 0 H ASN A 43 -8.186 8.332 -3.478 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.561 9.366 -0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.727 10.052 -2.901 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.442 10.976 -1.440 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.529 12.658 -2.654 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.453 12.199 -1.220 1.00 0.00 H new ATOM 646 N LYS A 44 -10.228 7.486 -1.210 1.00 0.00 N ATOM 647 CA LYS A 44 -11.243 6.777 -0.420 1.00 0.00 C ATOM 648 C LYS A 44 -10.663 5.626 0.416 1.00 0.00 C ATOM 649 O LYS A 44 -11.248 5.273 1.442 1.00 0.00 O ATOM 650 CB LYS A 44 -12.331 6.248 -1.360 1.00 0.00 C ATOM 651 CG LYS A 44 -13.165 7.374 -1.983 1.00 0.00 C ATOM 652 CD LYS A 44 -14.353 6.815 -2.771 1.00 0.00 C ATOM 653 CE LYS A 44 -15.222 7.918 -3.383 1.00 0.00 C ATOM 654 NZ LYS A 44 -14.496 8.666 -4.421 1.00 0.00 N ATOM 0 H LYS A 44 -10.160 7.191 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.662 7.491 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.868 5.661 -2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.988 5.576 -0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.527 8.039 -1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.537 7.972 -2.643 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.985 6.165 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.964 6.199 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.121 7.477 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.546 8.603 -2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.426 9.666 -4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.541 8.270 -4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.007 8.592 -5.324 1.00 0.00 H new ATOM 668 N LEU A 45 -9.528 5.042 0.029 1.00 0.00 N ATOM 669 CA LEU A 45 -8.901 4.018 0.892 1.00 0.00 C ATOM 670 C LEU A 45 -8.289 4.634 2.161 1.00 0.00 C ATOM 671 O LEU A 45 -8.403 4.075 3.252 1.00 0.00 O ATOM 672 CB LEU A 45 -7.777 3.235 0.176 1.00 0.00 C ATOM 673 CG LEU A 45 -7.989 1.714 0.144 1.00 0.00 C ATOM 674 CD1 LEU A 45 -6.736 1.060 -0.448 1.00 0.00 C ATOM 675 CD2 LEU A 45 -8.266 1.099 1.518 1.00 0.00 C ATOM 0 H LEU A 45 -9.033 5.244 -0.840 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.714 3.338 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.691 3.600 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.830 3.448 0.671 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.874 1.529 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.870 -0.021 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.574 1.434 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.872 1.302 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.405 0.023 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.423 1.294 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.168 1.542 1.940 1.00 0.00 H new ATOM 687 N ASN A 46 -7.649 5.795 2.018 1.00 0.00 N ATOM 688 CA ASN A 46 -7.031 6.468 3.170 1.00 0.00 C ATOM 689 C ASN A 46 -8.053 7.209 4.049 1.00 0.00 C ATOM 690 O ASN A 46 -7.841 7.372 5.251 1.00 0.00 O ATOM 691 CB ASN A 46 -5.983 7.432 2.602 1.00 0.00 C ATOM 692 CG ASN A 46 -5.052 8.005 3.669 1.00 0.00 C ATOM 693 OD1 ASN A 46 -4.250 7.295 4.274 1.00 0.00 O ATOM 694 ND2 ASN A 46 -5.145 9.300 3.914 1.00 0.00 N ATOM 0 H ASN A 46 -7.543 6.287 1.131 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.577 5.729 3.830 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.388 6.911 1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.490 8.252 2.093 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.544 9.730 4.617 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.817 9.869 3.400 1.00 0.00 H new ATOM 701 N ASP A 47 -9.160 7.648 3.456 1.00 0.00 N ATOM 702 CA ASP A 47 -10.223 8.298 4.246 1.00 0.00 C ATOM 703 C ASP A 47 -11.108 7.270 4.969 1.00 0.00 C ATOM 704 O ASP A 47 -11.489 7.503 6.116 1.00 0.00 O ATOM 705 CB ASP A 47 -11.041 9.273 3.378 1.00 0.00 C ATOM 706 CG ASP A 47 -11.774 10.307 4.224 1.00 0.00 C ATOM 707 OD1 ASP A 47 -11.175 11.357 4.545 1.00 0.00 O ATOM 708 OD2 ASP A 47 -12.952 10.077 4.572 1.00 0.00 O ATOM 0 H ASP A 47 -9.350 7.573 2.457 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.744 8.889 5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.377 9.781 2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.763 8.712 2.784 1.00 0.00 H new ATOM 713 N GLY A 48 -11.404 6.129 4.342 1.00 0.00 N ATOM 714 CA GLY A 48 -12.014 5.019 5.091 1.00 0.00 C ATOM 715 C GLY A 48 -13.321 4.438 4.531 1.00 0.00 C ATOM 716 O GLY A 48 -14.035 3.745 5.258 1.00 0.00 O ATOM 0 H GLY A 48 -11.240 5.948 3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.284 4.212 5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.203 5.360 6.109 1.00 0.00 H new ATOM 720 N SER A 49 -13.680 4.720 3.280 1.00 0.00 N ATOM 721 CA SER A 49 -14.980 4.269 2.749 1.00 0.00 C ATOM 722 C SER A 49 -15.045 2.770 2.399 1.00 0.00 C ATOM 723 O SER A 49 -16.122 2.174 2.458 1.00 0.00 O ATOM 724 CB SER A 49 -15.318 5.094 1.503 1.00 0.00 C ATOM 725 OG SER A 49 -15.382 6.477 1.828 1.00 0.00 O ATOM 0 H SER A 49 -13.107 5.247 2.621 1.00 0.00 H new ATOM 0 HA SER A 49 -15.706 4.420 3.548 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.564 4.929 0.734 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.272 4.766 1.089 1.00 0.00 H new ATOM 0 HG SER A 49 -15.597 6.993 1.023 1.00 0.00 H new ATOM 731 N ILE A 50 -13.924 2.160 2.018 1.00 0.00 N ATOM 732 CA ILE A 50 -13.966 0.822 1.401 1.00 0.00 C ATOM 733 C ILE A 50 -13.277 -0.165 2.336 1.00 0.00 C ATOM 734 O ILE A 50 -12.098 -0.031 2.667 1.00 0.00 O ATOM 735 CB ILE A 50 -13.235 0.806 0.045 1.00 0.00 C ATOM 736 CG1 ILE A 50 -13.559 2.070 -0.764 1.00 0.00 C ATOM 737 CG2 ILE A 50 -13.537 -0.469 -0.761 1.00 0.00 C ATOM 738 CD1 ILE A 50 -12.887 2.040 -2.126 1.00 0.00 C ATOM 0 H ILE A 50 -12.989 2.556 2.120 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.008 0.549 1.235 1.00 0.00 H new ATOM 0 HB ILE A 50 -12.165 0.800 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.638 2.157 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.230 2.951 -0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.000 -0.436 -1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.217 -1.343 -0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.608 -0.533 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.136 2.948 -2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.806 1.978 -1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.236 1.172 -2.685 1.00 0.00 H new ATOM 750 N THR A 51 -14.042 -1.161 2.757 1.00 0.00 N ATOM 751 CA THR A 51 -13.458 -2.264 3.531 1.00 0.00 C ATOM 752 C THR A 51 -13.780 -3.578 2.831 1.00 0.00 C ATOM 753 O THR A 51 -14.939 -3.963 2.669 1.00 0.00 O ATOM 754 CB THR A 51 -13.954 -2.302 4.986 1.00 0.00 C ATOM 755 OG1 THR A 51 -13.544 -1.118 5.655 1.00 0.00 O ATOM 756 CG2 THR A 51 -13.367 -3.516 5.722 1.00 0.00 C ATOM 0 H THR A 51 -15.045 -1.236 2.585 1.00 0.00 H new ATOM 0 HA THR A 51 -12.380 -2.106 3.578 1.00 0.00 H new ATOM 0 HB THR A 51 -15.041 -2.376 4.982 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.861 -1.140 6.582 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.728 -3.528 6.750 1.00 0.00 H new ATOM 0 HG22 THR A 51 -13.677 -4.432 5.218 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.279 -3.451 5.720 1.00 0.00 H new ATOM 764 N LEU A 52 -12.719 -4.278 2.458 1.00 0.00 N ATOM 765 CA LEU A 52 -12.866 -5.645 1.950 1.00 0.00 C ATOM 766 C LEU A 52 -11.993 -6.569 2.820 1.00 0.00 C ATOM 767 O LEU A 52 -11.606 -6.225 3.940 1.00 0.00 O ATOM 768 CB LEU A 52 -12.515 -5.642 0.453 1.00 0.00 C ATOM 769 CG LEU A 52 -13.491 -4.790 -0.382 1.00 0.00 C ATOM 770 CD1 LEU A 52 -12.924 -4.564 -1.778 1.00 0.00 C ATOM 771 CD2 LEU A 52 -14.865 -5.459 -0.494 1.00 0.00 C ATOM 0 H LEU A 52 -11.759 -3.935 2.494 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.885 -6.026 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.502 -5.261 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.521 -6.666 0.080 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.615 -3.834 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.621 -3.961 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.969 -4.044 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.776 -5.525 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -15.528 -4.831 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -14.758 -6.431 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -15.288 -5.591 0.502 1.00 0.00 H new ATOM 783 N GLU A 53 -11.720 -7.770 2.331 1.00 0.00 N ATOM 784 CA GLU A 53 -11.146 -8.815 3.192 1.00 0.00 C ATOM 785 C GLU A 53 -9.626 -8.925 3.018 1.00 0.00 C ATOM 786 O GLU A 53 -9.017 -8.383 2.095 1.00 0.00 O ATOM 787 CB GLU A 53 -11.821 -10.156 2.853 1.00 0.00 C ATOM 788 CG GLU A 53 -13.316 -10.170 3.195 1.00 0.00 C ATOM 789 CD GLU A 53 -13.940 -11.520 2.868 1.00 0.00 C ATOM 790 OE1 GLU A 53 -14.401 -11.709 1.721 1.00 0.00 O ATOM 791 OE2 GLU A 53 -13.974 -12.399 3.756 1.00 0.00 O ATOM 0 H GLU A 53 -11.880 -8.050 1.363 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.330 -8.552 4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.694 -10.364 1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.321 -10.957 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.452 -9.950 4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.827 -9.385 2.638 1.00 0.00 H new ATOM 798 N ASN A 54 -9.037 -9.700 3.921 1.00 0.00 N ATOM 799 CA ASN A 54 -7.629 -10.095 3.797 1.00 0.00 C ATOM 800 C ASN A 54 -7.535 -11.407 3.010 1.00 0.00 C ATOM 801 O ASN A 54 -7.685 -12.485 3.586 1.00 0.00 O ATOM 802 CB ASN A 54 -7.068 -10.303 5.213 1.00 0.00 C ATOM 803 CG ASN A 54 -6.708 -8.999 5.926 1.00 0.00 C ATOM 804 OD1 ASN A 54 -6.190 -8.051 5.335 1.00 0.00 O ATOM 805 ND2 ASN A 54 -6.974 -8.935 7.218 1.00 0.00 N ATOM 0 H ASN A 54 -9.507 -10.070 4.747 1.00 0.00 H new ATOM 0 HA ASN A 54 -7.061 -9.326 3.273 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.803 -10.843 5.810 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.180 -10.932 5.154 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.750 -8.090 7.744 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.403 -9.731 7.690 1.00 0.00 H new ATOM 812 N ALA A 55 -7.320 -11.341 1.693 1.00 0.00 N ATOM 813 CA ALA A 55 -7.473 -12.554 0.887 1.00 0.00 C ATOM 814 C ALA A 55 -6.492 -12.688 -0.287 1.00 0.00 C ATOM 815 O ALA A 55 -5.420 -12.089 -0.328 1.00 0.00 O ATOM 816 CB ALA A 55 -8.927 -12.518 0.420 1.00 0.00 C ATOM 0 H ALA A 55 -7.051 -10.501 1.181 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.233 -13.433 1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.134 -13.394 -0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.588 -12.519 1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.099 -11.615 -0.166 1.00 0.00 H new ATOM 822 N LYS A 56 -6.872 -13.568 -1.209 1.00 0.00 N ATOM 823 CA LYS A 56 -5.978 -13.999 -2.296 1.00 0.00 C ATOM 824 C LYS A 56 -6.227 -13.173 -3.571 1.00 0.00 C ATOM 825 O LYS A 56 -6.416 -13.699 -4.666 1.00 0.00 O ATOM 826 CB LYS A 56 -6.092 -15.513 -2.540 1.00 0.00 C ATOM 827 CG LYS A 56 -7.411 -16.061 -3.118 1.00 0.00 C ATOM 828 CD LYS A 56 -7.182 -17.313 -3.973 1.00 0.00 C ATOM 829 CE LYS A 56 -6.658 -18.492 -3.147 1.00 0.00 C ATOM 830 NZ LYS A 56 -6.451 -19.666 -4.009 1.00 0.00 N ATOM 0 H LYS A 56 -7.795 -14.002 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.948 -13.810 -1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.287 -15.803 -3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.909 -16.018 -1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.094 -16.298 -2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.891 -15.291 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.117 -17.597 -4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.471 -17.083 -4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.721 -18.218 -2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.367 -18.734 -2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.096 -20.458 -3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.353 -19.935 -4.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.758 -19.435 -4.749 1.00 0.00 H new ATOM 844 N TYR A 57 -6.075 -11.862 -3.433 1.00 0.00 N ATOM 845 CA TYR A 57 -6.069 -10.937 -4.581 1.00 0.00 C ATOM 846 C TYR A 57 -4.705 -10.880 -5.285 1.00 0.00 C ATOM 847 O TYR A 57 -4.374 -9.801 -5.776 1.00 0.00 O ATOM 848 CB TYR A 57 -6.575 -9.518 -4.280 1.00 0.00 C ATOM 849 CG TYR A 57 -7.794 -9.461 -3.354 1.00 0.00 C ATOM 850 CD1 TYR A 57 -8.878 -10.267 -3.552 1.00 0.00 C ATOM 851 CD2 TYR A 57 -7.783 -8.608 -2.294 1.00 0.00 C ATOM 852 CE1 TYR A 57 -9.918 -10.242 -2.677 1.00 0.00 C ATOM 853 CE2 TYR A 57 -8.831 -8.572 -1.430 1.00 0.00 C ATOM 854 CZ TYR A 57 -9.895 -9.392 -1.617 1.00 0.00 C ATOM 855 OH TYR A 57 -10.948 -9.359 -0.741 1.00 0.00 O ATOM 0 H TYR A 57 -5.952 -11.402 -2.531 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.799 -11.376 -5.261 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.765 -8.945 -3.829 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.826 -9.028 -5.221 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.909 -10.927 -4.407 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.936 -7.956 -2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.763 -10.898 -2.824 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.817 -7.889 -0.593 1.00 0.00 H new ATOM 0 HH TYR A 57 -10.625 -9.106 0.149 1.00 0.00 H new ATOM 865 N GLU A 58 -3.849 -11.910 -5.150 1.00 0.00 N ATOM 866 CA GLU A 58 -2.400 -11.838 -5.484 1.00 0.00 C ATOM 867 C GLU A 58 -2.071 -11.505 -6.968 1.00 0.00 C ATOM 868 O GLU A 58 -1.087 -11.968 -7.547 1.00 0.00 O ATOM 869 CB GLU A 58 -1.821 -13.258 -5.283 1.00 0.00 C ATOM 870 CG GLU A 58 -2.021 -13.849 -3.884 1.00 0.00 C ATOM 871 CD GLU A 58 -1.510 -15.283 -3.847 1.00 0.00 C ATOM 872 OE1 GLU A 58 -0.284 -15.486 -3.708 1.00 0.00 O ATOM 873 OE2 GLU A 58 -2.333 -16.217 -3.960 1.00 0.00 O ATOM 0 H GLU A 58 -4.138 -12.825 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.993 -11.047 -4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.279 -13.927 -6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.753 -13.232 -5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.491 -13.246 -3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.077 -13.824 -3.617 1.00 0.00 H new ATOM 880 N THR A 59 -2.859 -10.607 -7.540 1.00 0.00 N ATOM 881 CA THR A 59 -2.515 -9.937 -8.804 1.00 0.00 C ATOM 882 C THR A 59 -3.046 -8.507 -8.647 1.00 0.00 C ATOM 883 O THR A 59 -4.203 -8.265 -8.315 1.00 0.00 O ATOM 884 CB THR A 59 -2.986 -10.687 -10.066 1.00 0.00 C ATOM 885 OG1 THR A 59 -1.922 -11.500 -10.543 1.00 0.00 O ATOM 886 CG2 THR A 59 -3.465 -9.782 -11.188 1.00 0.00 C ATOM 0 H THR A 59 -3.755 -10.316 -7.149 1.00 0.00 H new ATOM 0 HA THR A 59 -1.439 -9.926 -8.978 1.00 0.00 H new ATOM 0 HB THR A 59 -3.849 -11.283 -9.767 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.425 -11.868 -9.783 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.778 -10.390 -12.037 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.307 -9.185 -10.839 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.654 -9.121 -11.494 1.00 0.00 H new ATOM 894 N VAL A 60 -2.088 -7.595 -8.646 1.00 0.00 N ATOM 895 CA VAL A 60 -2.270 -6.266 -8.041 1.00 0.00 C ATOM 896 C VAL A 60 -1.884 -5.200 -9.087 1.00 0.00 C ATOM 897 O VAL A 60 -0.724 -5.085 -9.482 1.00 0.00 O ATOM 898 CB VAL A 60 -1.332 -6.175 -6.828 1.00 0.00 C ATOM 899 CG1 VAL A 60 -1.403 -4.818 -6.138 1.00 0.00 C ATOM 900 CG2 VAL A 60 -1.663 -7.240 -5.797 1.00 0.00 C ATOM 0 H VAL A 60 -1.167 -7.743 -9.058 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.301 -6.106 -7.727 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.326 -6.324 -7.221 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.721 -4.806 -5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.118 -4.036 -6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.420 -4.640 -5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.983 -7.151 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.689 -7.108 -5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.555 -8.227 -6.246 1.00 0.00 H new ATOM 910 N HIS A 61 -2.869 -4.467 -9.581 1.00 0.00 N ATOM 911 CA HIS A 61 -2.667 -3.489 -10.663 1.00 0.00 C ATOM 912 C HIS A 61 -2.803 -2.063 -10.113 1.00 0.00 C ATOM 913 O HIS A 61 -3.927 -1.662 -9.819 1.00 0.00 O ATOM 914 CB HIS A 61 -3.670 -3.685 -11.833 1.00 0.00 C ATOM 915 CG HIS A 61 -2.955 -4.170 -13.076 1.00 0.00 C ATOM 916 ND1 HIS A 61 -3.185 -5.384 -13.700 1.00 0.00 N ATOM 917 CD2 HIS A 61 -1.884 -3.496 -13.658 1.00 0.00 C ATOM 918 CE1 HIS A 61 -2.195 -5.318 -14.645 1.00 0.00 C ATOM 919 NE2 HIS A 61 -1.381 -4.221 -14.718 1.00 0.00 N ATOM 0 H HIS A 61 -3.832 -4.525 -9.251 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.663 -3.649 -11.055 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.437 -4.404 -11.545 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.179 -2.744 -12.044 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.502 -2.542 -13.327 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -2.057 -6.136 -15.336 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.624 -4.003 -15.366 1.00 0.00 H new ATOM 927 N TYR A 62 -1.735 -1.272 -9.941 1.00 0.00 N ATOM 928 CA TYR A 62 -2.000 0.138 -9.586 1.00 0.00 C ATOM 929 C TYR A 62 -2.003 0.870 -10.935 1.00 0.00 C ATOM 930 O TYR A 62 -1.168 0.655 -11.816 1.00 0.00 O ATOM 931 CB TYR A 62 -0.954 0.696 -8.591 1.00 0.00 C ATOM 932 CG TYR A 62 -1.446 1.676 -7.538 1.00 0.00 C ATOM 933 CD1 TYR A 62 -2.148 2.787 -7.885 1.00 0.00 C ATOM 934 CD2 TYR A 62 -1.039 1.517 -6.248 1.00 0.00 C ATOM 935 CE1 TYR A 62 -2.464 3.721 -6.951 1.00 0.00 C ATOM 936 CE2 TYR A 62 -1.343 2.458 -5.316 1.00 0.00 C ATOM 937 CZ TYR A 62 -2.052 3.560 -5.667 1.00 0.00 C ATOM 938 OH TYR A 62 -2.320 4.529 -4.741 1.00 0.00 O ATOM 0 H TYR A 62 -0.757 -1.546 -10.031 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.945 0.267 -9.058 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.494 -0.148 -8.077 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.169 1.186 -9.167 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.457 2.928 -8.910 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.474 0.641 -5.965 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.042 4.590 -7.229 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.020 2.328 -4.294 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.722 4.421 -3.972 1.00 0.00 H new ATOM 948 N LEU A 63 -2.922 1.825 -11.028 1.00 0.00 N ATOM 949 CA LEU A 63 -2.986 2.765 -12.132 1.00 0.00 C ATOM 950 C LEU A 63 -2.929 4.223 -11.675 1.00 0.00 C ATOM 951 O LEU A 63 -3.814 4.695 -10.960 1.00 0.00 O ATOM 952 CB LEU A 63 -4.375 2.437 -12.699 1.00 0.00 C ATOM 953 CG LEU A 63 -4.688 3.105 -14.023 1.00 0.00 C ATOM 954 CD1 LEU A 63 -3.848 2.421 -15.098 1.00 0.00 C ATOM 955 CD2 LEU A 63 -6.182 2.890 -14.239 1.00 0.00 C ATOM 0 H LEU A 63 -3.651 1.967 -10.328 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.154 2.672 -12.830 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.457 1.357 -12.823 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.130 2.732 -11.970 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.458 4.170 -14.051 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.051 2.880 -16.065 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.790 2.532 -14.859 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.102 1.362 -15.139 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.483 3.348 -15.181 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.395 1.821 -14.270 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.737 3.347 -13.420 1.00 0.00 H new ATOM 967 N THR A 64 -1.875 4.933 -12.046 1.00 0.00 N ATOM 968 CA THR A 64 -1.637 6.271 -11.487 1.00 0.00 C ATOM 969 C THR A 64 -0.915 7.036 -12.621 1.00 0.00 C ATOM 970 O THR A 64 -0.187 6.423 -13.403 1.00 0.00 O ATOM 971 CB THR A 64 -0.805 6.151 -10.196 1.00 0.00 C ATOM 972 OG1 THR A 64 -1.368 5.162 -9.352 1.00 0.00 O ATOM 973 CG2 THR A 64 -0.776 7.448 -9.389 1.00 0.00 C ATOM 0 H THR A 64 -1.176 4.619 -12.720 1.00 0.00 H new ATOM 0 HA THR A 64 -2.543 6.800 -11.192 1.00 0.00 H new ATOM 0 HB THR A 64 0.208 5.899 -10.511 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.861 4.328 -9.442 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.176 7.304 -8.491 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.340 8.243 -9.994 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.792 7.723 -9.106 1.00 0.00 H new ATOM 981 N PRO A 65 -0.983 8.368 -12.702 1.00 0.00 N ATOM 982 CA PRO A 65 -0.152 9.148 -13.632 1.00 0.00 C ATOM 983 C PRO A 65 1.365 8.919 -13.545 1.00 0.00 C ATOM 984 O PRO A 65 1.956 8.946 -12.464 1.00 0.00 O ATOM 985 CB PRO A 65 -0.499 10.584 -13.231 1.00 0.00 C ATOM 986 CG PRO A 65 -1.927 10.505 -12.695 1.00 0.00 C ATOM 987 CD PRO A 65 -2.020 9.140 -12.021 1.00 0.00 C ATOM 0 HA PRO A 65 -0.364 8.867 -14.664 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.188 10.960 -12.473 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.433 11.260 -14.084 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.128 11.309 -11.987 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.656 10.599 -13.500 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.836 9.206 -10.949 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.006 8.693 -12.149 1.00 0.00 H new ATOM 1104 N PHE A 73 3.709 8.085 -2.096 1.00 0.00 N ATOM 1105 CA PHE A 73 2.705 7.195 -1.495 1.00 0.00 C ATOM 1106 C PHE A 73 3.240 6.822 -0.113 1.00 0.00 C ATOM 1107 O PHE A 73 4.453 6.664 0.045 1.00 0.00 O ATOM 1108 CB PHE A 73 2.616 5.984 -2.449 1.00 0.00 C ATOM 1109 CG PHE A 73 1.709 4.810 -2.093 1.00 0.00 C ATOM 1110 CD1 PHE A 73 0.461 4.999 -1.584 1.00 0.00 C ATOM 1111 CD2 PHE A 73 2.120 3.545 -2.391 1.00 0.00 C ATOM 1112 CE1 PHE A 73 -0.356 3.941 -1.353 1.00 0.00 C ATOM 1113 CE2 PHE A 73 1.283 2.494 -2.201 1.00 0.00 C ATOM 1114 CZ PHE A 73 0.065 2.687 -1.647 1.00 0.00 C ATOM 0 HA PHE A 73 1.712 7.626 -1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.298 6.358 -3.422 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.625 5.591 -2.572 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.118 5.999 -1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.114 3.379 -2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.340 4.098 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.591 1.501 -2.493 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.573 1.841 -1.439 1.00 0.00 H new ATOM 1124 N PRO A 74 2.399 6.572 0.900 1.00 0.00 N ATOM 1125 CA PRO A 74 2.943 6.287 2.225 1.00 0.00 C ATOM 1126 C PRO A 74 3.358 4.821 2.324 1.00 0.00 C ATOM 1127 O PRO A 74 2.767 3.939 1.697 1.00 0.00 O ATOM 1128 CB PRO A 74 1.775 6.636 3.148 1.00 0.00 C ATOM 1129 CG PRO A 74 0.849 7.537 2.343 1.00 0.00 C ATOM 1130 CD PRO A 74 1.002 7.028 0.922 1.00 0.00 C ATOM 0 HA PRO A 74 3.845 6.847 2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.255 5.735 3.474 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.127 7.143 4.046 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.183 7.461 2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.137 8.585 2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.306 6.218 0.703 1.00 0.00 H new ATOM 0 HD3 PRO A 74 0.819 7.812 0.187 1.00 0.00 H new ATOM 1138 N LYS A 75 4.373 4.554 3.137 1.00 0.00 N ATOM 1139 CA LYS A 75 4.780 3.156 3.371 1.00 0.00 C ATOM 1140 C LYS A 75 3.679 2.308 4.038 1.00 0.00 C ATOM 1141 O LYS A 75 3.534 1.119 3.750 1.00 0.00 O ATOM 1142 CB LYS A 75 6.071 3.097 4.199 1.00 0.00 C ATOM 1143 CG LYS A 75 7.274 3.689 3.458 1.00 0.00 C ATOM 1144 CD LYS A 75 8.568 3.499 4.252 1.00 0.00 C ATOM 1145 CE LYS A 75 9.771 4.046 3.481 1.00 0.00 C ATOM 1146 NZ LYS A 75 11.008 3.839 4.251 1.00 0.00 N ATOM 0 H LYS A 75 4.920 5.256 3.636 1.00 0.00 H new ATOM 0 HA LYS A 75 4.960 2.722 2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.923 3.637 5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.284 2.060 4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.371 3.214 2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.107 4.751 3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.487 4.006 5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.717 2.440 4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.849 3.549 2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.632 5.109 3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.817 4.215 3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.936 4.334 5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.146 2.822 4.419 1.00 0.00 H new ATOM 1160 N LYS A 76 2.916 2.908 4.952 1.00 0.00 N ATOM 1161 CA LYS A 76 1.869 2.162 5.671 1.00 0.00 C ATOM 1162 C LYS A 76 0.703 1.688 4.782 1.00 0.00 C ATOM 1163 O LYS A 76 0.097 0.661 5.089 1.00 0.00 O ATOM 1164 CB LYS A 76 1.390 2.977 6.884 1.00 0.00 C ATOM 1165 CG LYS A 76 0.753 4.327 6.537 1.00 0.00 C ATOM 1166 CD LYS A 76 0.353 5.095 7.797 1.00 0.00 C ATOM 1167 CE LYS A 76 -0.285 6.440 7.442 1.00 0.00 C ATOM 1168 NZ LYS A 76 -0.661 7.164 8.665 1.00 0.00 N ATOM 0 H LYS A 76 2.996 3.891 5.213 1.00 0.00 H new ATOM 0 HA LYS A 76 2.323 1.236 6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.667 2.382 7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.238 3.150 7.546 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.455 4.923 5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.126 4.167 5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.348 4.500 8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.231 5.259 8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.413 7.038 6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.166 6.280 6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.093 8.075 8.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.343 6.597 9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.187 7.332 9.243 1.00 0.00 H new ATOM 1182 N LEU A 77 0.410 2.355 3.661 1.00 0.00 N ATOM 1183 CA LEU A 77 -0.597 1.792 2.731 1.00 0.00 C ATOM 1184 C LEU A 77 -0.004 0.634 1.906 1.00 0.00 C ATOM 1185 O LEU A 77 -0.720 -0.322 1.617 1.00 0.00 O ATOM 1186 CB LEU A 77 -1.237 2.803 1.748 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.327 3.695 2.365 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -1.767 4.652 3.416 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.048 4.519 1.292 1.00 0.00 C ATOM 0 H LEU A 77 0.827 3.242 3.377 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.392 1.449 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.452 3.440 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.667 2.253 0.911 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.031 3.016 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.575 5.260 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.305 4.079 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.021 5.300 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.812 5.139 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.329 5.157 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.517 3.848 0.572 1.00 0.00 H new ATOM 1201 N ILE A 78 1.294 0.628 1.606 1.00 0.00 N ATOM 1202 CA ILE A 78 1.928 -0.544 0.999 1.00 0.00 C ATOM 1203 C ILE A 78 1.878 -1.760 1.959 1.00 0.00 C ATOM 1204 O ILE A 78 1.627 -2.883 1.514 1.00 0.00 O ATOM 1205 CB ILE A 78 3.352 -0.079 0.626 1.00 0.00 C ATOM 1206 CG1 ILE A 78 3.405 1.030 -0.426 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.203 -1.259 0.192 1.00 0.00 C ATOM 1208 CD1 ILE A 78 4.796 1.649 -0.596 1.00 0.00 C ATOM 0 H ILE A 78 1.923 1.413 1.771 1.00 0.00 H new ATOM 0 HA ILE A 78 1.413 -0.901 0.107 1.00 0.00 H new ATOM 0 HB ILE A 78 3.759 0.361 1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.077 0.626 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.699 1.814 -0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.203 -0.911 -0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.269 -1.979 1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.749 -1.735 -0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.757 2.428 -1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.119 2.083 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.503 0.877 -0.901 1.00 0.00 H new ATOM 1220 N SER A 79 2.075 -1.558 3.268 1.00 0.00 N ATOM 1221 CA SER A 79 1.952 -2.671 4.224 1.00 0.00 C ATOM 1222 C SER A 79 0.509 -3.186 4.348 1.00 0.00 C ATOM 1223 O SER A 79 0.295 -4.395 4.409 1.00 0.00 O ATOM 1224 CB SER A 79 2.472 -2.222 5.592 1.00 0.00 C ATOM 1225 OG SER A 79 3.839 -1.848 5.502 1.00 0.00 O ATOM 0 H SER A 79 2.315 -0.658 3.684 1.00 0.00 H new ATOM 0 HA SER A 79 2.551 -3.500 3.847 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.881 -1.381 5.955 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.356 -3.029 6.315 1.00 0.00 H new ATOM 0 HG SER A 79 4.235 -2.248 4.700 1.00 0.00 H new ATOM 1231 N VAL A 80 -0.481 -2.292 4.374 1.00 0.00 N ATOM 1232 CA VAL A 80 -1.890 -2.724 4.460 1.00 0.00 C ATOM 1233 C VAL A 80 -2.337 -3.510 3.212 1.00 0.00 C ATOM 1234 O VAL A 80 -3.066 -4.493 3.350 1.00 0.00 O ATOM 1235 CB VAL A 80 -2.800 -1.508 4.745 1.00 0.00 C ATOM 1236 CG1 VAL A 80 -4.292 -1.861 4.685 1.00 0.00 C ATOM 1237 CG2 VAL A 80 -2.519 -0.935 6.140 1.00 0.00 C ATOM 0 H VAL A 80 -0.345 -1.282 4.338 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.982 -3.419 5.294 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.573 -0.779 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.885 -0.970 4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.537 -2.237 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.515 -2.627 5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.170 -0.080 6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.708 -1.700 6.893 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.478 -0.617 6.200 1.00 0.00 H new ATOM 1247 N LEU A 81 -1.913 -3.126 2.005 1.00 0.00 N ATOM 1248 CA LEU A 81 -2.222 -3.949 0.827 1.00 0.00 C ATOM 1249 C LEU A 81 -1.507 -5.311 0.860 1.00 0.00 C ATOM 1250 O LEU A 81 -2.105 -6.320 0.489 1.00 0.00 O ATOM 1251 CB LEU A 81 -1.866 -3.214 -0.476 1.00 0.00 C ATOM 1252 CG LEU A 81 -2.873 -2.174 -1.006 1.00 0.00 C ATOM 1253 CD1 LEU A 81 -4.335 -2.609 -0.863 1.00 0.00 C ATOM 1254 CD2 LEU A 81 -2.665 -0.800 -0.366 1.00 0.00 C ATOM 0 H LEU A 81 -1.373 -2.281 1.817 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.296 -4.130 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.910 -2.711 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.715 -3.963 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.667 -2.099 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.987 -1.829 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.496 -3.532 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.564 -2.776 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.395 -0.097 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.792 -0.878 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.659 -0.444 -0.588 1.00 0.00 H new ATOM 1266 N ALA A 82 -0.252 -5.369 1.313 1.00 0.00 N ATOM 1267 CA ALA A 82 0.418 -6.666 1.499 1.00 0.00 C ATOM 1268 C ALA A 82 -0.229 -7.550 2.579 1.00 0.00 C ATOM 1269 O ALA A 82 -0.132 -8.777 2.513 1.00 0.00 O ATOM 1270 CB ALA A 82 1.877 -6.385 1.864 1.00 0.00 C ATOM 0 H ALA A 82 0.313 -4.555 1.554 1.00 0.00 H new ATOM 0 HA ALA A 82 0.329 -7.226 0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.404 -7.328 2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.352 -5.824 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.916 -5.802 2.784 1.00 0.00 H new ATOM 1276 N ASP A 83 -0.845 -6.945 3.599 1.00 0.00 N ATOM 1277 CA ASP A 83 -1.433 -7.738 4.701 1.00 0.00 C ATOM 1278 C ASP A 83 -2.740 -8.469 4.354 1.00 0.00 C ATOM 1279 O ASP A 83 -3.200 -9.334 5.100 1.00 0.00 O ATOM 1280 CB ASP A 83 -1.651 -6.860 5.944 1.00 0.00 C ATOM 1281 CG ASP A 83 -0.355 -6.362 6.581 1.00 0.00 C ATOM 1282 OD1 ASP A 83 0.638 -7.121 6.622 1.00 0.00 O ATOM 1283 OD2 ASP A 83 -0.329 -5.206 7.058 1.00 0.00 O ATOM 0 H ASP A 83 -0.952 -5.935 3.692 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.699 -8.518 4.901 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.263 -6.001 5.668 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.214 -7.428 6.684 1.00 0.00 H new ATOM 1288 N SER A 84 -3.306 -8.162 3.199 1.00 0.00 N ATOM 1289 CA SER A 84 -4.358 -9.001 2.619 1.00 0.00 C ATOM 1290 C SER A 84 -3.820 -10.342 2.106 1.00 0.00 C ATOM 1291 O SER A 84 -4.510 -11.360 2.156 1.00 0.00 O ATOM 1292 CB SER A 84 -4.971 -8.206 1.464 1.00 0.00 C ATOM 1293 OG SER A 84 -5.641 -7.052 1.957 1.00 0.00 O ATOM 0 H SER A 84 -3.061 -7.344 2.642 1.00 0.00 H new ATOM 0 HA SER A 84 -5.096 -9.241 3.385 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.190 -7.910 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.672 -8.834 0.914 1.00 0.00 H new ATOM 0 HG SER A 84 -6.027 -6.552 1.207 1.00 0.00 H new ATOM 1299 N LEU A 85 -2.615 -10.346 1.549 1.00 0.00 N ATOM 1300 CA LEU A 85 -2.284 -11.362 0.555 1.00 0.00 C ATOM 1301 C LEU A 85 -1.749 -12.660 1.170 1.00 0.00 C ATOM 1302 O LEU A 85 -1.164 -12.698 2.251 1.00 0.00 O ATOM 1303 CB LEU A 85 -1.223 -10.757 -0.386 1.00 0.00 C ATOM 1304 CG LEU A 85 -1.519 -9.343 -0.918 1.00 0.00 C ATOM 1305 CD1 LEU A 85 -0.349 -8.850 -1.774 1.00 0.00 C ATOM 1306 CD2 LEU A 85 -2.804 -9.317 -1.752 1.00 0.00 C ATOM 0 H LEU A 85 -1.871 -9.680 1.759 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.196 -11.634 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.270 -10.733 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.099 -11.425 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.652 -8.686 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.567 -7.849 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.558 -8.823 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.204 -9.527 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.984 -8.304 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.700 -9.991 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.644 -9.637 -1.136 1.00 0.00 H new ATOM 1318 N LYS A 86 -1.860 -13.685 0.340 1.00 0.00 N ATOM 1319 CA LYS A 86 -1.126 -14.949 0.486 1.00 0.00 C ATOM 1320 C LYS A 86 0.305 -14.648 -0.002 1.00 0.00 C ATOM 1321 O LYS A 86 0.418 -14.330 -1.186 1.00 0.00 O ATOM 1322 CB LYS A 86 -1.780 -16.066 -0.345 1.00 0.00 C ATOM 1323 CG LYS A 86 -3.234 -16.366 0.036 1.00 0.00 C ATOM 1324 CD LYS A 86 -3.384 -16.898 1.465 1.00 0.00 C ATOM 1325 CE LYS A 86 -4.850 -17.213 1.780 1.00 0.00 C ATOM 1326 NZ LYS A 86 -4.980 -17.714 3.156 1.00 0.00 N ATOM 0 H LYS A 86 -2.474 -13.669 -0.474 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.130 -15.304 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.742 -15.789 -1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.192 -16.977 -0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.826 -15.457 -0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.643 -17.097 -0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.780 -17.797 1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.006 -16.161 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.457 -16.317 1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.228 -17.956 1.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.979 -17.924 3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.416 -18.581 3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.637 -16.992 3.822 1.00 0.00 H new ATOM 1340 N PRO A 87 1.315 -14.440 0.866 1.00 0.00 N ATOM 1341 CA PRO A 87 2.521 -13.639 0.557 1.00 0.00 C ATOM 1342 C PRO A 87 3.372 -13.888 -0.720 1.00 0.00 C ATOM 1343 O PRO A 87 4.405 -13.242 -0.883 1.00 0.00 O ATOM 1344 CB PRO A 87 3.409 -13.983 1.758 1.00 0.00 C ATOM 1345 CG PRO A 87 2.449 -14.187 2.924 1.00 0.00 C ATOM 1346 CD PRO A 87 1.191 -14.772 2.289 1.00 0.00 C ATOM 0 HA PRO A 87 2.178 -12.622 0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.995 -14.883 1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.116 -13.180 1.967 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.868 -14.863 3.669 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.236 -13.246 3.432 1.00 0.00 H new ATOM 0 HD2 PRO A 87 1.132 -15.850 2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.289 -14.339 2.721 1.00 0.00 H new ATOM 1354 N ASN A 88 2.901 -14.681 -1.682 1.00 0.00 N ATOM 1355 CA ASN A 88 3.466 -14.645 -3.054 1.00 0.00 C ATOM 1356 C ASN A 88 2.496 -13.850 -3.953 1.00 0.00 C ATOM 1357 O ASN A 88 2.086 -14.283 -5.032 1.00 0.00 O ATOM 1358 CB ASN A 88 3.794 -16.061 -3.573 1.00 0.00 C ATOM 1359 CG ASN A 88 5.225 -16.451 -3.201 1.00 0.00 C ATOM 1360 OD1 ASN A 88 6.169 -16.201 -3.949 1.00 0.00 O ATOM 1361 ND2 ASN A 88 5.417 -17.046 -2.038 1.00 0.00 N ATOM 0 H ASN A 88 2.142 -15.350 -1.552 1.00 0.00 H new ATOM 0 HA ASN A 88 4.427 -14.131 -3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.093 -16.781 -3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.671 -16.095 -4.656 1.00 0.00 H new ATOM 0 HD21 ASN A 88 6.360 -17.306 -1.748 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.623 -17.246 -1.430 1.00 0.00 H new ATOM 1368 N GLY A 89 2.183 -12.639 -3.497 1.00 0.00 N ATOM 1369 CA GLY A 89 1.490 -11.640 -4.316 1.00 0.00 C ATOM 1370 C GLY A 89 2.402 -11.157 -5.434 1.00 0.00 C ATOM 1371 O GLY A 89 3.609 -11.376 -5.394 1.00 0.00 O ATOM 0 H GLY A 89 2.401 -12.321 -2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.582 -12.071 -4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.185 -10.798 -3.695 1.00 0.00 H new ATOM 1375 N SER A 90 1.841 -10.520 -6.451 1.00 0.00 N ATOM 1376 CA SER A 90 2.672 -10.097 -7.580 1.00 0.00 C ATOM 1377 C SER A 90 2.059 -8.797 -8.096 1.00 0.00 C ATOM 1378 O SER A 90 0.890 -8.710 -8.474 1.00 0.00 O ATOM 1379 CB SER A 90 2.731 -11.176 -8.654 1.00 0.00 C ATOM 1380 OG SER A 90 3.418 -10.704 -9.806 1.00 0.00 O ATOM 0 H SER A 90 0.850 -10.289 -6.524 1.00 0.00 H new ATOM 0 HA SER A 90 3.707 -9.935 -7.278 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.234 -12.059 -8.261 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.720 -11.480 -8.927 1.00 0.00 H new ATOM 0 HG SER A 90 3.446 -11.412 -10.483 1.00 0.00 H new ATOM 1386 N LEU A 91 2.887 -7.774 -8.048 1.00 0.00 N ATOM 1387 CA LEU A 91 2.468 -6.403 -8.262 1.00 0.00 C ATOM 1388 C LEU A 91 2.815 -6.036 -9.705 1.00 0.00 C ATOM 1389 O LEU A 91 3.896 -6.374 -10.185 1.00 0.00 O ATOM 1390 CB LEU A 91 3.350 -5.579 -7.299 1.00 0.00 C ATOM 1391 CG LEU A 91 2.756 -4.203 -7.031 1.00 0.00 C ATOM 1392 CD1 LEU A 91 2.344 -4.031 -5.565 1.00 0.00 C ATOM 1393 CD2 LEU A 91 3.766 -3.114 -7.380 1.00 0.00 C ATOM 0 H LEU A 91 3.884 -7.872 -7.857 1.00 0.00 H new ATOM 0 HA LEU A 91 1.404 -6.235 -8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.462 -6.117 -6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.348 -5.468 -7.724 1.00 0.00 H new ATOM 0 HG LEU A 91 1.868 -4.115 -7.657 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.925 -3.035 -5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.596 -4.780 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.217 -4.155 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.328 -2.135 -7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.661 -3.240 -6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.031 -3.188 -8.435 1.00 0.00 H new ATOM 1405 N ILE A 92 1.949 -5.310 -10.399 1.00 0.00 N ATOM 1406 CA ILE A 92 2.362 -4.711 -11.676 1.00 0.00 C ATOM 1407 C ILE A 92 2.137 -3.222 -11.465 1.00 0.00 C ATOM 1408 O ILE A 92 1.027 -2.703 -11.630 1.00 0.00 O ATOM 1409 CB ILE A 92 1.547 -5.226 -12.871 1.00 0.00 C ATOM 1410 CG1 ILE A 92 1.807 -6.700 -13.233 1.00 0.00 C ATOM 1411 CG2 ILE A 92 1.820 -4.391 -14.127 1.00 0.00 C ATOM 1412 CD1 ILE A 92 1.190 -7.708 -12.263 1.00 0.00 C ATOM 0 H ILE A 92 0.987 -5.121 -10.119 1.00 0.00 H new ATOM 0 HA ILE A 92 3.393 -4.965 -11.922 1.00 0.00 H new ATOM 0 HB ILE A 92 0.511 -5.135 -12.545 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.416 -6.890 -14.233 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.883 -6.867 -13.275 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.229 -4.779 -14.957 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.546 -3.353 -13.940 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.879 -4.447 -14.378 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.422 -8.720 -12.594 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.599 -7.550 -11.265 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.109 -7.574 -12.238 1.00 0.00 H new ATOM 1424 N GLY A 93 3.178 -2.570 -10.978 1.00 0.00 N ATOM 1425 CA GLY A 93 2.949 -1.273 -10.348 1.00 0.00 C ATOM 1426 C GLY A 93 3.981 -0.164 -10.523 1.00 0.00 C ATOM 1427 O GLY A 93 3.863 0.662 -11.429 1.00 0.00 O ATOM 0 H GLY A 93 4.146 -2.892 -11.000 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.996 -0.894 -10.716 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.832 -1.445 -9.278 1.00 0.00 H new ATOM 1431 N LEU A 94 4.905 -0.042 -9.571 1.00 0.00 N ATOM 1432 CA LEU A 94 5.417 1.292 -9.221 1.00 0.00 C ATOM 1433 C LEU A 94 6.921 1.353 -9.553 1.00 0.00 C ATOM 1434 O LEU A 94 7.526 0.360 -9.961 1.00 0.00 O ATOM 1435 CB LEU A 94 5.132 1.546 -7.723 1.00 0.00 C ATOM 1436 CG LEU A 94 3.707 1.308 -7.180 1.00 0.00 C ATOM 1437 CD1 LEU A 94 3.719 0.264 -6.060 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.185 2.577 -6.530 1.00 0.00 C ATOM 0 H LEU A 94 5.306 -0.817 -9.042 1.00 0.00 H new ATOM 0 HA LEU A 94 4.923 2.075 -9.796 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.812 0.918 -7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.397 2.581 -7.509 1.00 0.00 H new ATOM 0 HG LEU A 94 3.094 0.987 -8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.704 0.113 -5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.110 -0.678 -6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.352 0.613 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.179 2.403 -6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.841 2.861 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.160 3.380 -7.267 1.00 0.00 H new ATOM 1450 N SER A 95 7.503 2.550 -9.494 1.00 0.00 N ATOM 1451 CA SER A 95 8.739 2.814 -10.264 1.00 0.00 C ATOM 1452 C SER A 95 9.920 3.291 -9.393 1.00 0.00 C ATOM 1453 O SER A 95 10.450 2.503 -8.609 1.00 0.00 O ATOM 1454 CB SER A 95 8.409 3.741 -11.448 1.00 0.00 C ATOM 1455 OG SER A 95 9.486 3.745 -12.373 1.00 0.00 O ATOM 0 H SER A 95 7.160 3.336 -8.942 1.00 0.00 H new ATOM 0 HA SER A 95 9.105 1.871 -10.670 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.496 3.405 -11.941 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.223 4.753 -11.088 1.00 0.00 H new ATOM 0 HG SER A 95 9.269 4.335 -13.125 1.00 0.00 H new ATOM 1461 N ASP A 96 10.411 4.523 -9.579 1.00 0.00 N ATOM 1462 CA ASP A 96 11.789 4.846 -9.157 1.00 0.00 C ATOM 1463 C ASP A 96 12.032 4.884 -7.642 1.00 0.00 C ATOM 1464 O ASP A 96 12.815 4.079 -7.133 1.00 0.00 O ATOM 1465 CB ASP A 96 12.212 6.149 -9.854 1.00 0.00 C ATOM 1466 CG ASP A 96 13.698 6.456 -9.684 1.00 0.00 C ATOM 1467 OD1 ASP A 96 14.521 5.872 -10.420 1.00 0.00 O ATOM 1468 OD2 ASP A 96 14.046 7.281 -8.813 1.00 0.00 O ATOM 0 H ASP A 96 9.897 5.294 -10.005 1.00 0.00 H new ATOM 0 HA ASP A 96 12.423 4.017 -9.471 1.00 0.00 H new ATOM 0 HB2 ASP A 96 11.979 6.079 -10.917 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.627 6.977 -9.453 1.00 0.00 H new ATOM 1473 N ILE A 97 11.387 5.787 -6.904 1.00 0.00 N ATOM 1474 CA ILE A 97 11.487 5.744 -5.419 1.00 0.00 C ATOM 1475 C ILE A 97 10.967 4.400 -4.853 1.00 0.00 C ATOM 1476 O ILE A 97 11.353 3.892 -3.790 1.00 0.00 O ATOM 1477 CB ILE A 97 10.676 6.891 -4.763 1.00 0.00 C ATOM 1478 CG1 ILE A 97 10.736 8.187 -5.587 1.00 0.00 C ATOM 1479 CG2 ILE A 97 11.172 7.117 -3.329 1.00 0.00 C ATOM 1480 CD1 ILE A 97 9.977 9.360 -4.961 1.00 0.00 C ATOM 0 H ILE A 97 10.806 6.537 -7.278 1.00 0.00 H new ATOM 0 HA ILE A 97 12.545 5.857 -5.181 1.00 0.00 H new ATOM 0 HB ILE A 97 9.628 6.594 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 97 11.779 8.473 -5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.330 7.993 -6.580 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.601 7.924 -2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 97 11.040 6.203 -2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 97 12.228 7.385 -3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.068 10.236 -5.603 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.925 9.097 -4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.397 9.583 -3.980 1.00 0.00 H new ATOM 1492 N TYR A 98 10.049 3.830 -5.613 1.00 0.00 N ATOM 1493 CA TYR A 98 9.304 2.678 -5.153 1.00 0.00 C ATOM 1494 C TYR A 98 10.163 1.391 -5.236 1.00 0.00 C ATOM 1495 O TYR A 98 9.879 0.422 -4.540 1.00 0.00 O ATOM 1496 CB TYR A 98 8.003 2.626 -5.939 1.00 0.00 C ATOM 1497 CG TYR A 98 7.204 3.921 -5.816 1.00 0.00 C ATOM 1498 CD1 TYR A 98 6.585 4.209 -4.639 1.00 0.00 C ATOM 1499 CD2 TYR A 98 7.170 4.825 -6.832 1.00 0.00 C ATOM 1500 CE1 TYR A 98 5.914 5.378 -4.490 1.00 0.00 C ATOM 1501 CE2 TYR A 98 6.489 5.992 -6.686 1.00 0.00 C ATOM 1502 CZ TYR A 98 5.856 6.266 -5.515 1.00 0.00 C ATOM 1503 OH TYR A 98 5.175 7.444 -5.353 1.00 0.00 O ATOM 0 H TYR A 98 9.804 4.148 -6.551 1.00 0.00 H new ATOM 0 HA TYR A 98 9.050 2.760 -4.096 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.222 2.435 -6.989 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.398 1.792 -5.583 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.628 3.505 -3.821 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.686 4.615 -7.757 1.00 0.00 H new ATOM 0 HE1 TYR A 98 5.425 5.603 -3.554 1.00 0.00 H new ATOM 0 HE2 TYR A 98 6.451 6.701 -7.500 1.00 0.00 H new ATOM 0 HH TYR A 98 5.229 7.969 -6.179 1.00 0.00 H new ATOM 1513 N LYS A 99 11.243 1.373 -6.028 1.00 0.00 N ATOM 1514 CA LYS A 99 12.227 0.271 -5.992 1.00 0.00 C ATOM 1515 C LYS A 99 12.776 0.021 -4.572 1.00 0.00 C ATOM 1516 O LYS A 99 12.738 -1.107 -4.078 1.00 0.00 O ATOM 1517 CB LYS A 99 13.359 0.641 -6.963 1.00 0.00 C ATOM 1518 CG LYS A 99 14.407 -0.469 -7.087 1.00 0.00 C ATOM 1519 CD LYS A 99 15.540 -0.066 -8.034 1.00 0.00 C ATOM 1520 CE LYS A 99 16.575 -1.185 -8.161 1.00 0.00 C ATOM 1521 NZ LYS A 99 17.654 -0.778 -9.075 1.00 0.00 N ATOM 0 H LYS A 99 11.462 2.106 -6.703 1.00 0.00 H new ATOM 0 HA LYS A 99 11.745 -0.660 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.937 0.850 -7.946 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.842 1.557 -6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.817 -0.696 -6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.933 -1.380 -7.452 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.131 0.168 -9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.022 0.839 -7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.989 -1.421 -7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.097 -2.092 -8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.351 -1.546 -9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.256 -0.575 -10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.119 0.075 -8.705 1.00 0.00 H new ATOM 1535 N VAL A 100 13.268 1.067 -3.903 1.00 0.00 N ATOM 1536 CA VAL A 100 13.685 0.936 -2.491 1.00 0.00 C ATOM 1537 C VAL A 100 12.490 0.617 -1.567 1.00 0.00 C ATOM 1538 O VAL A 100 12.629 -0.125 -0.592 1.00 0.00 O ATOM 1539 CB VAL A 100 14.417 2.220 -2.045 1.00 0.00 C ATOM 1540 CG1 VAL A 100 14.903 2.120 -0.593 1.00 0.00 C ATOM 1541 CG2 VAL A 100 15.635 2.515 -2.931 1.00 0.00 C ATOM 0 H VAL A 100 13.389 1.999 -4.300 1.00 0.00 H new ATOM 0 HA VAL A 100 14.372 0.094 -2.411 1.00 0.00 H new ATOM 0 HB VAL A 100 13.689 3.026 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 100 15.413 3.042 -0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.049 1.965 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 100 15.592 1.281 -0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.124 3.426 -2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 100 16.337 1.683 -2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.311 2.646 -3.963 1.00 0.00 H new ATOM 1551 N ASP A 101 11.313 1.156 -1.881 1.00 0.00 N ATOM 1552 CA ASP A 101 10.084 0.789 -1.146 1.00 0.00 C ATOM 1553 C ASP A 101 9.741 -0.705 -1.242 1.00 0.00 C ATOM 1554 O ASP A 101 9.384 -1.347 -0.252 1.00 0.00 O ATOM 1555 CB ASP A 101 8.936 1.621 -1.739 1.00 0.00 C ATOM 1556 CG ASP A 101 8.225 2.492 -0.712 1.00 0.00 C ATOM 1557 OD1 ASP A 101 7.808 1.964 0.342 1.00 0.00 O ATOM 1558 OD2 ASP A 101 8.076 3.709 -0.954 1.00 0.00 O ATOM 0 H ASP A 101 11.175 1.839 -2.626 1.00 0.00 H new ATOM 0 HA ASP A 101 10.240 0.994 -0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.330 2.256 -2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.211 0.950 -2.199 1.00 0.00 H new ATOM 1563 N ALA A 102 9.870 -1.259 -2.445 1.00 0.00 N ATOM 1564 CA ALA A 102 9.714 -2.697 -2.643 1.00 0.00 C ATOM 1565 C ALA A 102 10.762 -3.485 -1.840 1.00 0.00 C ATOM 1566 O ALA A 102 10.446 -4.494 -1.218 1.00 0.00 O ATOM 1567 CB ALA A 102 9.914 -2.949 -4.131 1.00 0.00 C ATOM 0 H ALA A 102 10.081 -0.736 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 102 8.732 -3.025 -2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.808 -4.014 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.167 -2.393 -4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.911 -2.620 -4.425 1.00 0.00 H new ATOM 1573 N LEU A 103 12.010 -3.007 -1.840 1.00 0.00 N ATOM 1574 CA LEU A 103 13.087 -3.685 -1.097 1.00 0.00 C ATOM 1575 C LEU A 103 12.767 -3.870 0.390 1.00 0.00 C ATOM 1576 O LEU A 103 12.980 -4.935 0.967 1.00 0.00 O ATOM 1577 CB LEU A 103 14.372 -2.842 -1.211 1.00 0.00 C ATOM 1578 CG LEU A 103 15.662 -3.675 -1.175 1.00 0.00 C ATOM 1579 CD1 LEU A 103 15.826 -4.515 -2.446 1.00 0.00 C ATOM 1580 CD2 LEU A 103 16.869 -2.745 -1.028 1.00 0.00 C ATOM 0 H LEU A 103 12.301 -2.165 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 103 13.205 -4.676 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.342 -2.274 -2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.395 -2.118 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 103 15.599 -4.352 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 103 16.749 -5.091 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 103 14.980 -5.195 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 103 15.865 -3.857 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 103 17.784 -3.337 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 103 16.905 -2.059 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 103 16.779 -2.176 -0.103 1.00 0.00 H new ATOM 1592 N ILE A 104 12.289 -2.794 1.002 1.00 0.00 N ATOM 1593 CA ILE A 104 12.123 -2.765 2.460 1.00 0.00 C ATOM 1594 C ILE A 104 10.845 -3.484 2.914 1.00 0.00 C ATOM 1595 O ILE A 104 10.857 -4.214 3.907 1.00 0.00 O ATOM 1596 CB ILE A 104 12.251 -1.285 2.859 1.00 0.00 C ATOM 1597 CG1 ILE A 104 12.774 -1.167 4.300 1.00 0.00 C ATOM 1598 CG2 ILE A 104 10.958 -0.475 2.673 1.00 0.00 C ATOM 1599 CD1 ILE A 104 13.185 0.262 4.667 1.00 0.00 C ATOM 0 H ILE A 104 12.011 -1.937 0.524 1.00 0.00 H new ATOM 0 HA ILE A 104 12.888 -3.335 2.987 1.00 0.00 H new ATOM 0 HB ILE A 104 12.972 -0.843 2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.002 -1.507 4.991 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.630 -1.830 4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 104 11.129 0.558 2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.660 -0.501 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 104 10.167 -0.907 3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.546 0.284 5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 104 13.977 0.596 3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.325 0.924 4.570 1.00 0.00 H new ATOM 1611 N ASN A 105 9.764 -3.338 2.151 1.00 0.00 N ATOM 1612 CA ASN A 105 8.555 -4.141 2.404 1.00 0.00 C ATOM 1613 C ASN A 105 8.691 -5.634 2.018 1.00 0.00 C ATOM 1614 O ASN A 105 7.741 -6.398 2.194 1.00 0.00 O ATOM 1615 CB ASN A 105 7.384 -3.496 1.642 1.00 0.00 C ATOM 1616 CG ASN A 105 6.054 -3.655 2.380 1.00 0.00 C ATOM 1617 OD1 ASN A 105 5.701 -2.847 3.239 1.00 0.00 O ATOM 1618 ND2 ASN A 105 5.297 -4.688 2.061 1.00 0.00 N ATOM 0 H ASN A 105 9.693 -2.688 1.368 1.00 0.00 H new ATOM 0 HA ASN A 105 8.382 -4.141 3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.590 -2.436 1.493 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.304 -3.947 0.653 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.402 -4.828 2.529 1.00 0.00 H new ATOM 0 HD22 ASN A 105 5.607 -5.346 1.346 1.00 0.00 H new ATOM 1625 N GLY A 106 9.855 -6.088 1.540 1.00 0.00 N ATOM 1626 CA GLY A 106 9.979 -7.484 1.080 1.00 0.00 C ATOM 1627 C GLY A 106 9.116 -7.818 -0.142 1.00 0.00 C ATOM 1628 O GLY A 106 8.511 -8.882 -0.256 1.00 0.00 O ATOM 0 H GLY A 106 10.706 -5.531 1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.023 -7.685 0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.706 -8.151 1.898 1.00 0.00 H new ATOM 1632 N PHE A 107 9.155 -6.879 -1.073 1.00 0.00 N ATOM 1633 CA PHE A 107 8.646 -7.055 -2.435 1.00 0.00 C ATOM 1634 C PHE A 107 9.867 -7.103 -3.350 1.00 0.00 C ATOM 1635 O PHE A 107 10.636 -6.147 -3.466 1.00 0.00 O ATOM 1636 CB PHE A 107 7.742 -5.986 -3.015 1.00 0.00 C ATOM 1637 CG PHE A 107 6.356 -5.809 -2.424 1.00 0.00 C ATOM 1638 CD1 PHE A 107 5.371 -6.685 -2.767 1.00 0.00 C ATOM 1639 CD2 PHE A 107 6.055 -4.716 -1.676 1.00 0.00 C ATOM 1640 CE1 PHE A 107 4.106 -6.505 -2.302 1.00 0.00 C ATOM 1641 CE2 PHE A 107 4.793 -4.540 -1.208 1.00 0.00 C ATOM 1642 CZ PHE A 107 3.820 -5.438 -1.513 1.00 0.00 C ATOM 0 H PHE A 107 9.548 -5.953 -0.906 1.00 0.00 H new ATOM 0 HA PHE A 107 8.026 -7.949 -2.376 1.00 0.00 H new ATOM 0 HB2 PHE A 107 8.262 -5.032 -2.932 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.624 -6.193 -4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 107 5.595 -7.524 -3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 107 6.820 -3.987 -1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 107 3.330 -7.210 -2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.562 -3.684 -0.592 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.820 -5.303 -1.128 1.00 0.00 H new ATOM 1652 N GLU A 108 10.099 -8.266 -3.912 1.00 0.00 N ATOM 1653 CA GLU A 108 11.337 -8.514 -4.653 1.00 0.00 C ATOM 1654 C GLU A 108 11.039 -8.347 -6.149 1.00 0.00 C ATOM 1655 O GLU A 108 10.270 -9.077 -6.777 1.00 0.00 O ATOM 1656 CB GLU A 108 11.816 -9.938 -4.327 1.00 0.00 C ATOM 1657 CG GLU A 108 13.175 -10.259 -4.955 1.00 0.00 C ATOM 1658 CD GLU A 108 13.622 -11.669 -4.595 1.00 0.00 C ATOM 1659 OE1 GLU A 108 13.278 -12.618 -5.332 1.00 0.00 O ATOM 1660 OE2 GLU A 108 14.320 -11.837 -3.571 1.00 0.00 O ATOM 0 H GLU A 108 9.458 -9.058 -3.877 1.00 0.00 H new ATOM 0 HA GLU A 108 12.124 -7.813 -4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.882 -10.057 -3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.077 -10.656 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.112 -10.159 -6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.918 -9.539 -4.611 1.00 0.00 H new ATOM 1667 N ILE A 109 11.649 -7.288 -6.663 1.00 0.00 N ATOM 1668 CA ILE A 109 11.285 -6.698 -7.953 1.00 0.00 C ATOM 1669 C ILE A 109 11.947 -7.414 -9.137 1.00 0.00 C ATOM 1670 O ILE A 109 13.001 -8.043 -9.023 1.00 0.00 O ATOM 1671 CB ILE A 109 11.755 -5.235 -7.769 1.00 0.00 C ATOM 1672 CG1 ILE A 109 11.290 -4.198 -8.791 1.00 0.00 C ATOM 1673 CG2 ILE A 109 13.269 -5.150 -7.740 1.00 0.00 C ATOM 1674 CD1 ILE A 109 11.721 -2.785 -8.399 1.00 0.00 C ATOM 0 H ILE A 109 12.418 -6.807 -6.196 1.00 0.00 H new ATOM 0 HA ILE A 109 10.226 -6.779 -8.198 1.00 0.00 H new ATOM 0 HB ILE A 109 11.276 -4.976 -6.825 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.699 -4.444 -9.771 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.204 -4.236 -8.880 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.573 -4.111 -7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.651 -5.746 -6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.673 -5.531 -8.678 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.372 -2.077 -9.150 1.00 0.00 H new ATOM 0 HD12 ILE A 109 11.291 -2.529 -7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 109 12.808 -2.741 -8.336 1.00 0.00 H new ATOM 1686 N ILE A 110 11.311 -7.273 -10.289 1.00 0.00 N ATOM 1687 CA ILE A 110 11.894 -7.767 -11.548 1.00 0.00 C ATOM 1688 C ILE A 110 11.451 -6.826 -12.671 1.00 0.00 C ATOM 1689 O ILE A 110 10.274 -6.483 -12.823 1.00 0.00 O ATOM 1690 CB ILE A 110 11.592 -9.262 -11.790 1.00 0.00 C ATOM 1691 CG1 ILE A 110 12.171 -9.777 -13.122 1.00 0.00 C ATOM 1692 CG2 ILE A 110 10.094 -9.586 -11.710 1.00 0.00 C ATOM 1693 CD1 ILE A 110 12.189 -11.305 -13.208 1.00 0.00 C ATOM 0 H ILE A 110 10.399 -6.827 -10.389 1.00 0.00 H new ATOM 0 HA ILE A 110 12.983 -7.745 -11.504 1.00 0.00 H new ATOM 0 HB ILE A 110 12.094 -9.786 -10.977 1.00 0.00 H new ATOM 0 HG12 ILE A 110 11.582 -9.378 -13.948 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.186 -9.399 -13.242 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.942 -10.651 -11.888 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.718 -9.326 -10.720 1.00 0.00 H new ATOM 0 HG23 ILE A 110 9.557 -9.012 -12.465 1.00 0.00 H new ATOM 0 HD11 ILE A 110 12.607 -11.611 -14.167 1.00 0.00 H new ATOM 0 HD12 ILE A 110 12.801 -11.708 -12.401 1.00 0.00 H new ATOM 0 HD13 ILE A 110 11.172 -11.687 -13.117 1.00 0.00 H new ATOM 1705 N ASN A 111 12.448 -6.369 -13.420 1.00 0.00 N ATOM 1706 CA ASN A 111 12.246 -5.251 -14.349 1.00 0.00 C ATOM 1707 C ASN A 111 12.122 -5.715 -15.800 1.00 0.00 C ATOM 1708 O ASN A 111 13.090 -6.027 -16.495 1.00 0.00 O ATOM 1709 CB ASN A 111 13.344 -4.195 -14.182 1.00 0.00 C ATOM 1710 CG ASN A 111 14.783 -4.701 -14.322 1.00 0.00 C ATOM 1711 OD1 ASN A 111 15.302 -5.418 -13.468 1.00 0.00 O ATOM 1712 ND2 ASN A 111 15.452 -4.321 -15.397 1.00 0.00 N ATOM 0 H ASN A 111 13.396 -6.746 -13.407 1.00 0.00 H new ATOM 0 HA ASN A 111 11.293 -4.787 -14.093 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.182 -3.410 -14.920 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.234 -3.736 -13.199 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.417 -4.623 -15.530 1.00 0.00 H new ATOM 0 HD22 ASN A 111 15.003 -3.726 -16.093 1.00 0.00 H new ATOM 1719 N GLU A 112 10.867 -5.806 -16.201 1.00 0.00 N ATOM 1720 CA GLU A 112 10.498 -6.425 -17.484 1.00 0.00 C ATOM 1721 C GLU A 112 9.476 -5.504 -18.183 1.00 0.00 C ATOM 1722 O GLU A 112 8.989 -4.559 -17.560 1.00 0.00 O ATOM 1723 CB GLU A 112 9.979 -7.856 -17.256 1.00 0.00 C ATOM 1724 CG GLU A 112 8.690 -7.939 -16.432 1.00 0.00 C ATOM 1725 CD GLU A 112 8.291 -9.384 -16.168 1.00 0.00 C ATOM 1726 OE1 GLU A 112 8.872 -10.014 -15.260 1.00 0.00 O ATOM 1727 OE2 GLU A 112 7.390 -9.898 -16.867 1.00 0.00 O ATOM 0 H GLU A 112 10.074 -5.460 -15.661 1.00 0.00 H new ATOM 0 HA GLU A 112 11.363 -6.526 -18.139 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.807 -8.326 -18.225 1.00 0.00 H new ATOM 0 HB3 GLU A 112 10.754 -8.435 -16.754 1.00 0.00 H new ATOM 0 HG2 GLU A 112 8.828 -7.419 -15.484 1.00 0.00 H new ATOM 0 HG3 GLU A 112 7.885 -7.429 -16.961 1.00 0.00 H new ATOM 1734 N PRO A 113 9.088 -5.734 -19.449 1.00 0.00 N ATOM 1735 CA PRO A 113 8.165 -4.815 -20.146 1.00 0.00 C ATOM 1736 C PRO A 113 6.790 -4.510 -19.521 1.00 0.00 C ATOM 1737 O PRO A 113 6.107 -3.570 -19.927 1.00 0.00 O ATOM 1738 CB PRO A 113 8.063 -5.449 -21.531 1.00 0.00 C ATOM 1739 CG PRO A 113 9.437 -6.087 -21.743 1.00 0.00 C ATOM 1740 CD PRO A 113 9.850 -6.601 -20.364 1.00 0.00 C ATOM 0 HA PRO A 113 8.568 -3.803 -20.110 1.00 0.00 H new ATOM 0 HB2 PRO A 113 7.266 -6.192 -21.573 1.00 0.00 H new ATOM 0 HB3 PRO A 113 7.845 -4.704 -22.297 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.388 -6.899 -22.469 1.00 0.00 H new ATOM 0 HG3 PRO A 113 10.155 -5.361 -22.125 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.594 -7.652 -20.231 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.925 -6.512 -20.204 1.00 0.00 H new ATOM 1748 N ASP A 114 6.426 -5.256 -18.490 1.00 0.00 N ATOM 1749 CA ASP A 114 5.380 -4.829 -17.554 1.00 0.00 C ATOM 1750 C ASP A 114 6.042 -4.895 -16.173 1.00 0.00 C ATOM 1751 O ASP A 114 6.511 -5.958 -15.763 1.00 0.00 O ATOM 1752 CB ASP A 114 4.153 -5.744 -17.664 1.00 0.00 C ATOM 1753 CG ASP A 114 4.429 -7.238 -17.478 1.00 0.00 C ATOM 1754 OD1 ASP A 114 4.821 -7.908 -18.458 1.00 0.00 O ATOM 1755 OD2 ASP A 114 4.252 -7.747 -16.349 1.00 0.00 O ATOM 0 H ASP A 114 6.837 -6.164 -18.274 1.00 0.00 H new ATOM 0 HA ASP A 114 5.008 -3.826 -17.760 1.00 0.00 H new ATOM 0 HB2 ASP A 114 3.420 -5.432 -16.920 1.00 0.00 H new ATOM 0 HB3 ASP A 114 3.697 -5.595 -18.643 1.00 0.00 H new ATOM 1760 N TYR A 115 6.217 -3.765 -15.488 1.00 0.00 N ATOM 1761 CA TYR A 115 7.159 -3.767 -14.365 1.00 0.00 C ATOM 1762 C TYR A 115 6.487 -4.389 -13.140 1.00 0.00 C ATOM 1763 O TYR A 115 5.301 -4.185 -12.886 1.00 0.00 O ATOM 1764 CB TYR A 115 7.494 -2.292 -14.134 1.00 0.00 C ATOM 1765 CG TYR A 115 8.704 -2.078 -13.251 1.00 0.00 C ATOM 1766 CD1 TYR A 115 9.945 -2.106 -13.804 1.00 0.00 C ATOM 1767 CD2 TYR A 115 8.554 -1.791 -11.931 1.00 0.00 C ATOM 1768 CE1 TYR A 115 11.030 -1.817 -13.046 1.00 0.00 C ATOM 1769 CE2 TYR A 115 9.642 -1.499 -11.175 1.00 0.00 C ATOM 1770 CZ TYR A 115 10.881 -1.500 -11.735 1.00 0.00 C ATOM 1771 OH TYR A 115 11.981 -1.171 -10.987 1.00 0.00 O ATOM 0 H TYR A 115 5.748 -2.879 -15.675 1.00 0.00 H new ATOM 0 HA TYR A 115 8.059 -4.350 -14.559 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.668 -1.812 -15.097 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.633 -1.799 -13.683 1.00 0.00 H new ATOM 0 HD1 TYR A 115 10.066 -2.358 -14.847 1.00 0.00 H new ATOM 0 HD2 TYR A 115 7.571 -1.795 -11.485 1.00 0.00 H new ATOM 0 HE1 TYR A 115 12.016 -1.839 -13.486 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.524 -1.265 -10.127 1.00 0.00 H new ATOM 0 HH TYR A 115 11.812 -0.333 -10.508 1.00 0.00 H new ATOM 1781 N CYS A 116 7.247 -5.208 -12.420 1.00 0.00 N ATOM 1782 CA CYS A 116 6.625 -6.098 -11.443 1.00 0.00 C ATOM 1783 C CYS A 116 7.218 -6.555 -10.086 1.00 0.00 C ATOM 1784 O CYS A 116 8.296 -7.151 -10.083 1.00 0.00 O ATOM 1785 CB CYS A 116 6.143 -7.453 -11.959 1.00 0.00 C ATOM 1786 SG CYS A 116 7.415 -8.256 -12.980 1.00 0.00 S ATOM 0 H CYS A 116 8.262 -5.276 -12.489 1.00 0.00 H new ATOM 0 HA CYS A 116 5.924 -5.284 -11.257 1.00 0.00 H new ATOM 0 HB2 CYS A 116 5.889 -8.097 -11.117 1.00 0.00 H new ATOM 0 HB3 CYS A 116 5.233 -7.320 -12.544 1.00 0.00 H new ATOM 0 HG CYS A 116 8.467 -7.495 -13.040 1.00 0.00 H new ATOM 1792 N TRP A 117 6.577 -6.297 -8.947 1.00 0.00 N ATOM 1793 CA TRP A 117 7.173 -6.674 -7.653 1.00 0.00 C ATOM 1794 C TRP A 117 6.374 -7.838 -7.048 1.00 0.00 C ATOM 1795 O TRP A 117 5.220 -7.668 -6.663 1.00 0.00 O ATOM 1796 CB TRP A 117 7.058 -5.541 -6.626 1.00 0.00 C ATOM 1797 CG TRP A 117 7.355 -4.131 -7.079 1.00 0.00 C ATOM 1798 CD1 TRP A 117 8.027 -3.703 -8.226 1.00 0.00 C ATOM 1799 CD2 TRP A 117 7.144 -3.016 -6.318 1.00 0.00 C ATOM 1800 NE1 TRP A 117 8.248 -2.322 -8.179 1.00 0.00 N ATOM 1801 CE2 TRP A 117 7.708 -1.940 -6.956 1.00 0.00 C ATOM 1802 CE3 TRP A 117 6.581 -2.896 -5.082 1.00 0.00 C ATOM 1803 CZ2 TRP A 117 7.824 -0.752 -6.301 1.00 0.00 C ATOM 1804 CZ3 TRP A 117 6.608 -1.685 -4.479 1.00 0.00 C ATOM 1805 CH2 TRP A 117 7.282 -0.649 -5.048 1.00 0.00 C ATOM 0 H TRP A 117 5.667 -5.840 -8.886 1.00 0.00 H new ATOM 0 HA TRP A 117 8.217 -6.921 -7.847 1.00 0.00 H new ATOM 0 HB2 TRP A 117 6.044 -5.555 -6.227 1.00 0.00 H new ATOM 0 HB3 TRP A 117 7.729 -5.773 -5.799 1.00 0.00 H new ATOM 0 HD1 TRP A 117 8.333 -4.348 -9.036 1.00 0.00 H new ATOM 0 HE1 TRP A 117 8.700 -1.733 -8.879 1.00 0.00 H new ATOM 0 HE3 TRP A 117 6.125 -3.746 -4.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 8.330 0.086 -6.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 6.092 -1.540 -3.541 1.00 0.00 H new ATOM 0 HH2 TRP A 117 7.392 0.275 -4.499 1.00 0.00 H new ATOM 1816 N ILE A 118 6.969 -9.012 -6.899 1.00 0.00 N ATOM 1817 CA ILE A 118 6.284 -10.074 -6.137 1.00 0.00 C ATOM 1818 C ILE A 118 6.884 -10.081 -4.730 1.00 0.00 C ATOM 1819 O ILE A 118 8.092 -9.990 -4.531 1.00 0.00 O ATOM 1820 CB ILE A 118 6.375 -11.443 -6.854 1.00 0.00 C ATOM 1821 CG1 ILE A 118 6.092 -12.680 -5.977 1.00 0.00 C ATOM 1822 CG2 ILE A 118 7.734 -11.699 -7.483 1.00 0.00 C ATOM 1823 CD1 ILE A 118 5.193 -13.658 -6.722 1.00 0.00 C ATOM 0 H ILE A 118 7.885 -9.259 -7.273 1.00 0.00 H new ATOM 0 HA ILE A 118 5.214 -9.876 -6.067 1.00 0.00 H new ATOM 0 HB ILE A 118 5.587 -11.339 -7.600 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.030 -13.168 -5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.615 -12.373 -5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 118 7.732 -12.675 -7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.944 -10.926 -8.222 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.502 -11.681 -6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.000 -14.527 -6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.249 -13.171 -6.967 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.685 -13.977 -7.641 1.00 0.00 H new ATOM 1835 N LYS A 119 6.017 -10.348 -3.768 1.00 0.00 N ATOM 1836 CA LYS A 119 6.447 -10.430 -2.366 1.00 0.00 C ATOM 1837 C LYS A 119 7.085 -11.804 -2.121 1.00 0.00 C ATOM 1838 O LYS A 119 6.554 -12.841 -2.522 1.00 0.00 O ATOM 1839 CB LYS A 119 5.209 -10.178 -1.498 1.00 0.00 C ATOM 1840 CG LYS A 119 5.504 -10.103 0.003 1.00 0.00 C ATOM 1841 CD LYS A 119 4.217 -9.870 0.801 1.00 0.00 C ATOM 1842 CE LYS A 119 4.464 -9.813 2.312 1.00 0.00 C ATOM 1843 NZ LYS A 119 5.262 -8.631 2.682 1.00 0.00 N ATOM 0 H LYS A 119 5.022 -10.511 -3.920 1.00 0.00 H new ATOM 0 HA LYS A 119 7.202 -9.685 -2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.741 -9.245 -1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.485 -10.973 -1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.978 -11.028 0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 119 6.210 -9.296 0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.756 -8.937 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.508 -10.669 0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.509 -9.788 2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.981 -10.718 2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.340 -8.575 3.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.212 -8.710 2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.798 -7.772 2.323 1.00 0.00 H new ATOM 1857 N MET A 120 8.224 -11.801 -1.437 1.00 0.00 N ATOM 1858 CA MET A 120 8.821 -13.055 -0.960 1.00 0.00 C ATOM 1859 C MET A 120 8.824 -13.080 0.574 1.00 0.00 C ATOM 1860 O MET A 120 8.874 -12.044 1.238 1.00 0.00 O ATOM 1861 CB MET A 120 10.238 -13.142 -1.550 1.00 0.00 C ATOM 1862 CG MET A 120 10.864 -14.532 -1.418 1.00 0.00 C ATOM 1863 SD MET A 120 12.488 -14.525 -2.198 1.00 0.00 S ATOM 1864 CE MET A 120 12.978 -16.230 -1.884 1.00 0.00 C ATOM 0 H MET A 120 8.750 -10.960 -1.200 1.00 0.00 H new ATOM 0 HA MET A 120 8.246 -13.923 -1.284 1.00 0.00 H new ATOM 0 HB2 MET A 120 10.203 -12.865 -2.604 1.00 0.00 H new ATOM 0 HB3 MET A 120 10.877 -12.414 -1.051 1.00 0.00 H new ATOM 0 HG2 MET A 120 10.953 -14.806 -0.367 1.00 0.00 H new ATOM 0 HG3 MET A 120 10.224 -15.279 -1.889 1.00 0.00 H new ATOM 0 HE1 MET A 120 13.969 -16.407 -2.302 1.00 0.00 H new ATOM 0 HE2 MET A 120 13.000 -16.410 -0.809 1.00 0.00 H new ATOM 0 HE3 MET A 120 12.262 -16.906 -2.351 1.00 0.00 H new