USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 665 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 50 ASN : amide:sc= 0.615 K(o=-0.78,f=-11!) USER MOD Set 1.2: A 58 THR OG1 : rot -100:sc= -1.4 USER MOD Set 2.1: A 27 ASN : amide:sc= 1.79 K(o=3,f=-6.7!) USER MOD Set 2.2: A 76 LYS NZ :NH3+ -167:sc= 1.24 (180deg=0) USER MOD Set 3.1: A 10 THR OG1 : rot -64:sc= 0.425 USER MOD Set 3.2: A 11 THR OG1 : rot 93:sc= 1.63 USER MOD Set 3.3: A 14 CYS SG : rot -109:sc= 1.43 USER MOD Set 4.1: A 7 THR OG1 : rot -160:sc= 0 USER MOD Set 4.2: A 9 TYR OH : rot 30:sc= 0.976 USER MOD Set 4.3: A 60 LYS NZ :NH3+ -172:sc= 0.296 (180deg=-1.42!) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0356 (180deg=-0.313) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0829 USER MOD Single : A 12 SER OG : rot 67:sc= 1.19 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -76:sc= 0.941 USER MOD Single : A 21 LYS NZ :NH3+ -125:sc= 0.54 (180deg=0.416) USER MOD Single : A 22 THR OG1 : rot 98:sc= 0.148 USER MOD Single : A 25 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.164 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.13 K(o=-0.13,f=-1) USER MOD Single : A 48 SER OG : rot 10:sc= 1.16 USER MOD Single : A 53 ASN : amide:sc= -0.202 K(o=-0.2,f=-14!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 80:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot -170:sc= 0 USER MOD Single : A 68 THR OG1 : rot -83:sc= 0.754 USER MOD Single : A 69 ASN : amide:sc= -0.438 K(o=-0.44,f=-3.6!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0.705 (180deg=0.705) USER MOD Single : A 81 LYS NZ :NH3+ -167:sc= 1.1 (180deg=0.935) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 88 HIS : no HD1:sc= -0.0315 X(o=-0.031,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.035 5.327 8.692 1.00 0.00 N ATOM 2 CA MET A 1 13.891 6.621 8.008 1.00 0.00 C ATOM 3 C MET A 1 12.455 7.073 7.981 1.00 0.00 C ATOM 4 O MET A 1 12.092 8.039 8.643 1.00 0.00 O ATOM 5 CB MET A 1 14.453 6.599 6.581 1.00 0.00 C ATOM 6 CG MET A 1 15.949 6.451 6.520 1.00 0.00 C ATOM 7 SD MET A 1 16.796 7.726 7.471 1.00 0.00 S ATOM 8 CE MET A 1 16.315 9.211 6.586 1.00 0.00 C ATOM 0 H1 MET A 1 15.036 5.044 8.693 1.00 0.00 H new ATOM 0 H2 MET A 1 13.698 5.413 9.672 1.00 0.00 H new ATOM 0 H3 MET A 1 13.473 4.607 8.195 1.00 0.00 H new ATOM 0 HA MET A 1 14.478 7.333 8.588 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.993 5.777 6.032 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.167 7.520 6.074 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.231 5.469 6.899 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.275 6.497 5.481 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.949 10.041 6.897 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.429 9.049 5.514 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.274 9.446 6.809 1.00 0.00 H new ATOM 20 N VAL A 2 11.627 6.375 7.232 1.00 0.00 N ATOM 21 CA VAL A 2 10.247 6.771 7.101 1.00 0.00 C ATOM 22 C VAL A 2 9.402 6.197 8.189 1.00 0.00 C ATOM 23 O VAL A 2 9.366 4.986 8.419 1.00 0.00 O ATOM 24 CB VAL A 2 9.645 6.513 5.684 1.00 0.00 C ATOM 25 CG1 VAL A 2 10.339 7.387 4.652 1.00 0.00 C ATOM 26 CG2 VAL A 2 9.762 5.045 5.281 1.00 0.00 C ATOM 0 H VAL A 2 11.886 5.538 6.710 1.00 0.00 H new ATOM 0 HA VAL A 2 10.240 7.855 7.216 1.00 0.00 H new ATOM 0 HB VAL A 2 8.586 6.768 5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.910 7.198 3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.201 8.436 4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.404 7.154 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.332 4.905 4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.812 4.754 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.225 4.426 6.000 1.00 0.00 H new ATOM 36 N THR A 3 8.796 7.093 8.902 1.00 0.00 N ATOM 37 CA THR A 3 7.923 6.787 9.983 1.00 0.00 C ATOM 38 C THR A 3 6.615 6.195 9.437 1.00 0.00 C ATOM 39 O THR A 3 5.899 5.452 10.122 1.00 0.00 O ATOM 40 CB THR A 3 7.650 8.094 10.709 1.00 0.00 C ATOM 41 OG1 THR A 3 8.807 8.946 10.526 1.00 0.00 O ATOM 42 CG2 THR A 3 7.505 7.835 12.172 1.00 0.00 C ATOM 0 H THR A 3 8.902 8.094 8.738 1.00 0.00 H new ATOM 0 HA THR A 3 8.366 6.056 10.659 1.00 0.00 H new ATOM 0 HB THR A 3 6.741 8.553 10.321 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.660 9.800 10.983 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.309 8.774 12.690 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.675 7.148 12.339 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.424 7.393 12.556 1.00 0.00 H new ATOM 50 N ALA A 4 6.316 6.547 8.211 1.00 0.00 N ATOM 51 CA ALA A 4 5.185 6.037 7.495 1.00 0.00 C ATOM 52 C ALA A 4 5.705 5.535 6.182 1.00 0.00 C ATOM 53 O ALA A 4 6.179 6.315 5.371 1.00 0.00 O ATOM 54 CB ALA A 4 4.143 7.129 7.274 1.00 0.00 C ATOM 0 H ALA A 4 6.870 7.214 7.674 1.00 0.00 H new ATOM 0 HA ALA A 4 4.696 5.242 8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.294 6.717 6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.805 7.510 8.238 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.585 7.942 6.698 1.00 0.00 H new ATOM 60 N ALA A 5 5.698 4.246 6.010 1.00 0.00 N ATOM 61 CA ALA A 5 6.235 3.651 4.806 1.00 0.00 C ATOM 62 C ALA A 5 5.216 3.707 3.678 1.00 0.00 C ATOM 63 O ALA A 5 5.457 4.320 2.627 1.00 0.00 O ATOM 64 CB ALA A 5 6.670 2.227 5.090 1.00 0.00 C ATOM 0 H ALA A 5 5.327 3.579 6.686 1.00 0.00 H new ATOM 0 HA ALA A 5 7.108 4.219 4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.074 1.782 4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.437 2.228 5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.813 1.645 5.429 1.00 0.00 H new ATOM 70 N LEU A 6 4.088 3.082 3.903 1.00 0.00 N ATOM 71 CA LEU A 6 3.008 3.064 2.956 1.00 0.00 C ATOM 72 C LEU A 6 1.708 2.877 3.692 1.00 0.00 C ATOM 73 O LEU A 6 1.653 2.159 4.701 1.00 0.00 O ATOM 74 CB LEU A 6 3.162 1.963 1.869 1.00 0.00 C ATOM 75 CG LEU A 6 3.187 0.491 2.339 1.00 0.00 C ATOM 76 CD1 LEU A 6 2.874 -0.422 1.184 1.00 0.00 C ATOM 77 CD2 LEU A 6 4.547 0.117 2.899 1.00 0.00 C ATOM 0 H LEU A 6 3.894 2.565 4.761 1.00 0.00 H new ATOM 0 HA LEU A 6 3.023 4.020 2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.342 2.075 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.085 2.157 1.323 1.00 0.00 H new ATOM 0 HG LEU A 6 2.437 0.380 3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.894 -1.458 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.884 -0.187 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.617 -0.283 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.534 -0.924 3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.307 0.249 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.779 0.757 3.750 1.00 0.00 H new ATOM 89 N THR A 7 0.693 3.525 3.220 1.00 0.00 N ATOM 90 CA THR A 7 -0.604 3.426 3.799 1.00 0.00 C ATOM 91 C THR A 7 -1.464 2.519 2.934 1.00 0.00 C ATOM 92 O THR A 7 -1.598 2.748 1.726 1.00 0.00 O ATOM 93 CB THR A 7 -1.283 4.798 3.851 1.00 0.00 C ATOM 94 OG1 THR A 7 -0.360 5.786 4.351 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.501 4.733 4.758 1.00 0.00 C ATOM 0 H THR A 7 0.744 4.145 2.412 1.00 0.00 H new ATOM 0 HA THR A 7 -0.499 3.031 4.809 1.00 0.00 H new ATOM 0 HB THR A 7 -1.595 5.078 2.845 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.859 6.563 4.680 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.981 5.711 4.793 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.205 3.996 4.370 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.192 4.445 5.763 1.00 0.00 H new ATOM 103 N ILE A 8 -2.007 1.513 3.542 1.00 0.00 N ATOM 104 CA ILE A 8 -2.872 0.574 2.900 1.00 0.00 C ATOM 105 C ILE A 8 -4.324 1.017 3.023 1.00 0.00 C ATOM 106 O ILE A 8 -4.881 1.074 4.129 1.00 0.00 O ATOM 107 CB ILE A 8 -2.679 -0.855 3.493 1.00 0.00 C ATOM 108 CG1 ILE A 8 -1.302 -1.415 3.105 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.797 -1.800 3.074 1.00 0.00 C ATOM 110 CD1 ILE A 8 -1.014 -2.789 3.648 1.00 0.00 C ATOM 0 H ILE A 8 -1.856 1.316 4.531 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.611 0.537 1.842 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.725 -0.773 4.579 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.228 -1.444 2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.532 -0.729 3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.623 -2.784 3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.753 -1.411 3.425 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.816 -1.882 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.022 -3.107 3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.052 -2.765 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.759 -3.491 3.275 1.00 0.00 H new ATOM 122 N TYR A 9 -4.904 1.375 1.903 1.00 0.00 N ATOM 123 CA TYR A 9 -6.300 1.723 1.846 1.00 0.00 C ATOM 124 C TYR A 9 -7.079 0.555 1.357 1.00 0.00 C ATOM 125 O TYR A 9 -6.896 0.117 0.212 1.00 0.00 O ATOM 126 CB TYR A 9 -6.556 2.906 0.930 1.00 0.00 C ATOM 127 CG TYR A 9 -5.929 4.174 1.388 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.471 4.886 2.436 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.801 4.666 0.775 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.905 6.059 2.862 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.231 5.833 1.194 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.782 6.530 2.234 1.00 0.00 C ATOM 133 OH TYR A 9 -4.193 7.698 2.652 1.00 0.00 O ATOM 0 H TYR A 9 -4.420 1.433 1.007 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.612 2.003 2.852 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.183 2.668 -0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.632 3.057 0.840 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.356 4.513 2.930 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.361 4.122 -0.048 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.340 6.607 3.685 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.344 6.207 0.704 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.348 7.817 3.612 1.00 0.00 H new ATOM 143 N THR A 10 -7.902 0.032 2.206 1.00 0.00 N ATOM 144 CA THR A 10 -8.730 -1.062 1.865 1.00 0.00 C ATOM 145 C THR A 10 -9.821 -1.172 2.890 1.00 0.00 C ATOM 146 O THR A 10 -9.657 -0.743 4.039 1.00 0.00 O ATOM 147 CB THR A 10 -7.914 -2.406 1.792 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.740 -3.493 1.329 1.00 0.00 O ATOM 149 CG2 THR A 10 -7.320 -2.779 3.148 1.00 0.00 C ATOM 0 H THR A 10 -8.014 0.361 3.165 1.00 0.00 H new ATOM 0 HA THR A 10 -9.155 -0.889 0.876 1.00 0.00 H new ATOM 0 HB THR A 10 -7.103 -2.239 1.083 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.456 -3.659 1.977 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.764 -3.712 3.057 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.649 -1.988 3.481 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.123 -2.904 3.875 1.00 0.00 H new ATOM 157 N THR A 11 -10.927 -1.645 2.458 1.00 0.00 N ATOM 158 CA THR A 11 -11.990 -1.997 3.314 1.00 0.00 C ATOM 159 C THR A 11 -11.785 -3.446 3.697 1.00 0.00 C ATOM 160 O THR A 11 -11.172 -4.215 2.925 1.00 0.00 O ATOM 161 CB THR A 11 -13.302 -1.821 2.556 1.00 0.00 C ATOM 162 OG1 THR A 11 -13.003 -1.506 1.174 1.00 0.00 O ATOM 163 CG2 THR A 11 -14.114 -0.702 3.157 1.00 0.00 C ATOM 0 H THR A 11 -11.123 -1.802 1.469 1.00 0.00 H new ATOM 0 HA THR A 11 -12.021 -1.374 4.208 1.00 0.00 H new ATOM 0 HB THR A 11 -13.879 -2.744 2.620 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.977 -2.333 0.648 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.046 -0.591 2.603 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.336 -0.932 4.199 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.548 0.228 3.104 1.00 0.00 H new ATOM 171 N SER A 12 -12.259 -3.829 4.848 1.00 0.00 N ATOM 172 CA SER A 12 -12.080 -5.179 5.327 1.00 0.00 C ATOM 173 C SER A 12 -12.860 -6.195 4.476 1.00 0.00 C ATOM 174 O SER A 12 -12.518 -7.378 4.434 1.00 0.00 O ATOM 175 CB SER A 12 -12.475 -5.251 6.788 1.00 0.00 C ATOM 176 OG SER A 12 -11.710 -4.321 7.560 1.00 0.00 O ATOM 0 H SER A 12 -12.779 -3.221 5.482 1.00 0.00 H new ATOM 0 HA SER A 12 -11.028 -5.447 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.538 -5.034 6.895 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.317 -6.262 7.164 1.00 0.00 H new ATOM 0 HG SER A 12 -11.953 -3.406 7.305 1.00 0.00 H new ATOM 182 N TRP A 13 -13.870 -5.719 3.761 1.00 0.00 N ATOM 183 CA TRP A 13 -14.663 -6.580 2.904 1.00 0.00 C ATOM 184 C TRP A 13 -14.040 -6.813 1.524 1.00 0.00 C ATOM 185 O TRP A 13 -14.617 -7.507 0.686 1.00 0.00 O ATOM 186 CB TRP A 13 -16.133 -6.133 2.814 1.00 0.00 C ATOM 187 CG TRP A 13 -16.368 -4.677 2.527 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.680 -3.725 3.444 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.336 -4.011 1.251 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.853 -2.516 2.836 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.642 -2.658 1.486 1.00 0.00 C ATOM 192 CE3 TRP A 13 -16.077 -4.424 -0.061 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -16.700 -1.715 0.460 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -16.134 -3.489 -1.077 1.00 0.00 C ATOM 195 CH2 TRP A 13 -16.441 -2.150 -0.812 1.00 0.00 C ATOM 0 H TRP A 13 -14.157 -4.740 3.760 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.661 -7.554 3.394 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.622 -6.719 2.036 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.624 -6.380 3.755 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.777 -3.900 4.505 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -17.099 -1.646 3.308 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.837 -5.455 -0.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -16.940 -0.681 0.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.938 -3.797 -2.093 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -16.474 -1.444 -1.629 1.00 0.00 H new ATOM 206 N CYS A 14 -12.870 -6.255 1.295 1.00 0.00 N ATOM 207 CA CYS A 14 -12.154 -6.496 0.058 1.00 0.00 C ATOM 208 C CYS A 14 -11.482 -7.863 0.119 1.00 0.00 C ATOM 209 O CYS A 14 -11.115 -8.324 1.199 1.00 0.00 O ATOM 210 CB CYS A 14 -11.130 -5.395 -0.184 1.00 0.00 C ATOM 211 SG CYS A 14 -11.855 -3.769 -0.463 1.00 0.00 S ATOM 0 H CYS A 14 -12.394 -5.632 1.948 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.857 -6.487 -0.775 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.460 -5.341 0.674 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.521 -5.663 -1.047 1.00 0.00 H new ATOM 0 HG CYS A 14 -11.705 -3.435 -1.710 1.00 0.00 H new ATOM 217 N GLY A 15 -11.329 -8.501 -1.012 1.00 0.00 N ATOM 218 CA GLY A 15 -10.759 -9.832 -1.043 1.00 0.00 C ATOM 219 C GLY A 15 -9.245 -9.844 -0.955 1.00 0.00 C ATOM 220 O GLY A 15 -8.654 -10.733 -0.331 1.00 0.00 O ATOM 0 H GLY A 15 -11.589 -8.126 -1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.168 -10.413 -0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.065 -10.329 -1.964 1.00 0.00 H new ATOM 224 N TYR A 16 -8.614 -8.853 -1.547 1.00 0.00 N ATOM 225 CA TYR A 16 -7.156 -8.791 -1.589 1.00 0.00 C ATOM 226 C TYR A 16 -6.541 -8.233 -0.317 1.00 0.00 C ATOM 227 O TYR A 16 -5.317 -8.253 -0.174 1.00 0.00 O ATOM 228 CB TYR A 16 -6.649 -7.979 -2.774 1.00 0.00 C ATOM 229 CG TYR A 16 -6.913 -8.577 -4.128 1.00 0.00 C ATOM 230 CD1 TYR A 16 -6.348 -9.788 -4.496 1.00 0.00 C ATOM 231 CD2 TYR A 16 -7.694 -7.913 -5.054 1.00 0.00 C ATOM 232 CE1 TYR A 16 -6.559 -10.320 -5.745 1.00 0.00 C ATOM 233 CE2 TYR A 16 -7.917 -8.438 -6.303 1.00 0.00 C ATOM 234 CZ TYR A 16 -7.348 -9.642 -6.646 1.00 0.00 C ATOM 235 OH TYR A 16 -7.557 -10.164 -7.905 1.00 0.00 O ATOM 0 H TYR A 16 -9.083 -8.074 -2.009 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.840 -9.829 -1.696 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.106 -6.990 -2.737 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.574 -7.837 -2.662 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.731 -10.323 -3.789 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.137 -6.964 -4.791 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.109 -11.263 -6.018 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.536 -7.908 -7.012 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.138 -9.563 -8.416 1.00 0.00 H new ATOM 245 N CYS A 17 -7.369 -7.744 0.595 1.00 0.00 N ATOM 246 CA CYS A 17 -6.885 -7.073 1.804 1.00 0.00 C ATOM 247 C CYS A 17 -5.900 -7.952 2.596 1.00 0.00 C ATOM 248 O CYS A 17 -4.785 -7.515 2.915 1.00 0.00 O ATOM 249 CB CYS A 17 -8.059 -6.607 2.687 1.00 0.00 C ATOM 250 SG CYS A 17 -9.138 -7.936 3.292 1.00 0.00 S ATOM 0 H CYS A 17 -8.385 -7.797 0.524 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.334 -6.188 1.485 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.657 -6.067 3.544 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.663 -5.899 2.119 1.00 0.00 H new ATOM 0 HG CYS A 17 -9.912 -8.339 2.329 1.00 0.00 H new ATOM 256 N LEU A 18 -6.298 -9.182 2.882 1.00 0.00 N ATOM 257 CA LEU A 18 -5.443 -10.117 3.593 1.00 0.00 C ATOM 258 C LEU A 18 -4.485 -10.823 2.644 1.00 0.00 C ATOM 259 O LEU A 18 -3.415 -11.258 3.040 1.00 0.00 O ATOM 260 CB LEU A 18 -6.255 -11.130 4.481 1.00 0.00 C ATOM 261 CG LEU A 18 -7.225 -12.183 3.838 1.00 0.00 C ATOM 262 CD1 LEU A 18 -8.308 -11.567 2.962 1.00 0.00 C ATOM 263 CD2 LEU A 18 -6.485 -13.314 3.118 1.00 0.00 C ATOM 0 H LEU A 18 -7.213 -9.556 2.631 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.842 -9.530 4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.528 -11.687 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.847 -10.537 5.179 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.745 -12.632 4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.938 -12.357 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.917 -10.889 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.844 -11.014 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.209 -14.010 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.872 -12.897 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.847 -13.841 3.828 1.00 0.00 H new ATOM 275 N ARG A 19 -4.866 -10.872 1.375 1.00 0.00 N ATOM 276 CA ARG A 19 -4.098 -11.569 0.348 1.00 0.00 C ATOM 277 C ARG A 19 -2.753 -10.889 0.159 1.00 0.00 C ATOM 278 O ARG A 19 -1.718 -11.549 0.038 1.00 0.00 O ATOM 279 CB ARG A 19 -4.867 -11.554 -0.982 1.00 0.00 C ATOM 280 CG ARG A 19 -4.267 -12.426 -2.086 1.00 0.00 C ATOM 281 CD ARG A 19 -4.376 -13.904 -1.739 1.00 0.00 C ATOM 282 NE ARG A 19 -5.776 -14.300 -1.529 1.00 0.00 N ATOM 283 CZ ARG A 19 -6.191 -15.450 -0.984 1.00 0.00 C ATOM 284 NH1 ARG A 19 -5.313 -16.373 -0.610 1.00 0.00 N ATOM 285 NH2 ARG A 19 -7.491 -15.672 -0.824 1.00 0.00 N ATOM 0 H ARG A 19 -5.717 -10.430 1.026 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.942 -12.600 0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.890 -11.882 -0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.922 -10.526 -1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.782 -12.232 -3.027 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.220 -12.161 -2.234 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.943 -14.501 -2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.798 -14.112 -0.839 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.495 -13.640 -1.825 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.314 -16.208 -0.737 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.637 -17.247 -0.195 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.168 -14.968 -1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.812 -16.547 -0.409 1.00 0.00 H new ATOM 299 N LEU A 20 -2.768 -9.568 0.160 1.00 0.00 N ATOM 300 CA LEU A 20 -1.556 -8.814 -0.046 1.00 0.00 C ATOM 301 C LEU A 20 -0.674 -8.857 1.207 1.00 0.00 C ATOM 302 O LEU A 20 0.559 -8.725 1.129 1.00 0.00 O ATOM 303 CB LEU A 20 -1.869 -7.364 -0.428 1.00 0.00 C ATOM 304 CG LEU A 20 -0.670 -6.544 -0.932 1.00 0.00 C ATOM 305 CD1 LEU A 20 -0.145 -7.069 -2.260 1.00 0.00 C ATOM 306 CD2 LEU A 20 -0.987 -5.058 -1.009 1.00 0.00 C ATOM 0 H LEU A 20 -3.605 -9.002 0.301 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.011 -9.273 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.637 -7.367 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.293 -6.860 0.440 1.00 0.00 H new ATOM 0 HG LEU A 20 0.125 -6.666 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.702 -6.463 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.174 -8.104 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.935 -7.017 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.112 -4.517 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.820 -4.899 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.257 -4.692 -0.018 1.00 0.00 H new ATOM 318 N LYS A 21 -1.305 -9.092 2.360 1.00 0.00 N ATOM 319 CA LYS A 21 -0.591 -9.133 3.627 1.00 0.00 C ATOM 320 C LYS A 21 0.415 -10.247 3.647 1.00 0.00 C ATOM 321 O LYS A 21 1.488 -10.085 4.208 1.00 0.00 O ATOM 322 CB LYS A 21 -1.518 -9.313 4.823 1.00 0.00 C ATOM 323 CG LYS A 21 -2.519 -8.216 5.055 1.00 0.00 C ATOM 324 CD LYS A 21 -1.861 -6.868 5.187 1.00 0.00 C ATOM 325 CE LYS A 21 -2.800 -5.871 5.821 1.00 0.00 C ATOM 326 NZ LYS A 21 -4.094 -5.718 5.113 1.00 0.00 N ATOM 0 H LYS A 21 -2.309 -9.256 2.437 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.093 -8.167 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.059 -10.251 4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.906 -9.414 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.229 -8.193 4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.089 -8.431 5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.957 -6.957 5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.554 -6.511 4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.995 -6.176 6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.306 -4.900 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.244 -4.717 4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.081 -6.282 4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.866 -6.048 5.726 1.00 0.00 H new ATOM 340 N THR A 22 0.070 -11.363 3.028 1.00 0.00 N ATOM 341 CA THR A 22 0.927 -12.527 2.973 1.00 0.00 C ATOM 342 C THR A 22 2.292 -12.151 2.375 1.00 0.00 C ATOM 343 O THR A 22 3.343 -12.430 2.956 1.00 0.00 O ATOM 344 CB THR A 22 0.271 -13.580 2.077 1.00 0.00 C ATOM 345 OG1 THR A 22 -1.140 -13.604 2.358 1.00 0.00 O ATOM 346 CG2 THR A 22 0.863 -14.960 2.342 1.00 0.00 C ATOM 0 H THR A 22 -0.821 -11.484 2.547 1.00 0.00 H new ATOM 0 HA THR A 22 1.070 -12.916 3.981 1.00 0.00 H new ATOM 0 HB THR A 22 0.450 -13.324 1.033 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.616 -13.069 1.689 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.382 -15.693 1.694 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.933 -14.942 2.137 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.697 -15.233 3.384 1.00 0.00 H new ATOM 354 N ALA A 23 2.249 -11.436 1.262 1.00 0.00 N ATOM 355 CA ALA A 23 3.444 -11.044 0.556 1.00 0.00 C ATOM 356 C ALA A 23 4.236 -10.004 1.354 1.00 0.00 C ATOM 357 O ALA A 23 5.469 -10.066 1.435 1.00 0.00 O ATOM 358 CB ALA A 23 3.081 -10.526 -0.829 1.00 0.00 C ATOM 0 H ALA A 23 1.383 -11.115 0.829 1.00 0.00 H new ATOM 0 HA ALA A 23 4.086 -11.917 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.988 -10.232 -1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.574 -11.311 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.421 -9.664 -0.734 1.00 0.00 H new ATOM 364 N LEU A 24 3.524 -9.072 1.970 1.00 0.00 N ATOM 365 CA LEU A 24 4.163 -8.021 2.764 1.00 0.00 C ATOM 366 C LEU A 24 4.831 -8.595 4.012 1.00 0.00 C ATOM 367 O LEU A 24 5.977 -8.258 4.319 1.00 0.00 O ATOM 368 CB LEU A 24 3.165 -6.931 3.179 1.00 0.00 C ATOM 369 CG LEU A 24 2.476 -6.101 2.081 1.00 0.00 C ATOM 370 CD1 LEU A 24 1.479 -5.158 2.718 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.481 -5.298 1.265 1.00 0.00 C ATOM 0 H LEU A 24 2.506 -9.018 1.939 1.00 0.00 H new ATOM 0 HA LEU A 24 4.924 -7.572 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.384 -7.407 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.688 -6.238 3.838 1.00 0.00 H new ATOM 0 HG LEU A 24 1.970 -6.791 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.989 -4.569 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.731 -5.733 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.998 -4.492 3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.955 -4.726 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.021 -4.616 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.188 -5.977 0.788 1.00 0.00 H new ATOM 383 N THR A 25 4.129 -9.477 4.695 1.00 0.00 N ATOM 384 CA THR A 25 4.611 -10.064 5.933 1.00 0.00 C ATOM 385 C THR A 25 5.830 -10.959 5.670 1.00 0.00 C ATOM 386 O THR A 25 6.799 -10.931 6.425 1.00 0.00 O ATOM 387 CB THR A 25 3.485 -10.865 6.626 1.00 0.00 C ATOM 388 OG1 THR A 25 2.318 -10.023 6.734 1.00 0.00 O ATOM 389 CG2 THR A 25 3.904 -11.314 8.023 1.00 0.00 C ATOM 0 H THR A 25 3.208 -9.808 4.409 1.00 0.00 H new ATOM 0 HA THR A 25 4.919 -9.258 6.599 1.00 0.00 H new ATOM 0 HB THR A 25 3.271 -11.752 6.030 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.853 -9.996 5.872 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.091 -11.875 8.484 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.787 -11.948 7.952 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.133 -10.440 8.633 1.00 0.00 H new ATOM 397 N ALA A 26 5.800 -11.685 4.554 1.00 0.00 N ATOM 398 CA ALA A 26 6.909 -12.557 4.144 1.00 0.00 C ATOM 399 C ALA A 26 8.191 -11.755 3.903 1.00 0.00 C ATOM 400 O ALA A 26 9.308 -12.281 3.985 1.00 0.00 O ATOM 401 CB ALA A 26 6.532 -13.320 2.885 1.00 0.00 C ATOM 0 H ALA A 26 5.011 -11.688 3.908 1.00 0.00 H new ATOM 0 HA ALA A 26 7.099 -13.262 4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.360 -13.964 2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.650 -13.930 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.316 -12.614 2.083 1.00 0.00 H new ATOM 407 N ASN A 27 8.029 -10.487 3.616 1.00 0.00 N ATOM 408 CA ASN A 27 9.149 -9.601 3.371 1.00 0.00 C ATOM 409 C ASN A 27 9.359 -8.656 4.533 1.00 0.00 C ATOM 410 O ASN A 27 10.218 -7.774 4.473 1.00 0.00 O ATOM 411 CB ASN A 27 8.950 -8.825 2.070 1.00 0.00 C ATOM 412 CG ASN A 27 9.118 -9.690 0.837 1.00 0.00 C ATOM 413 OD1 ASN A 27 10.219 -9.804 0.300 1.00 0.00 O ATOM 414 ND2 ASN A 27 8.053 -10.293 0.376 1.00 0.00 N ATOM 0 H ASN A 27 7.117 -10.036 3.545 1.00 0.00 H new ATOM 0 HA ASN A 27 10.046 -10.212 3.270 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.954 -8.383 2.065 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.664 -8.002 2.031 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.119 -10.881 -0.455 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.156 -10.175 0.847 1.00 0.00 H new ATOM 421 N ARG A 28 8.566 -8.861 5.595 1.00 0.00 N ATOM 422 CA ARG A 28 8.585 -8.056 6.831 1.00 0.00 C ATOM 423 C ARG A 28 8.504 -6.564 6.542 1.00 0.00 C ATOM 424 O ARG A 28 9.233 -5.748 7.124 1.00 0.00 O ATOM 425 CB ARG A 28 9.792 -8.417 7.719 1.00 0.00 C ATOM 426 CG ARG A 28 9.732 -9.836 8.282 1.00 0.00 C ATOM 427 CD ARG A 28 8.532 -10.011 9.211 1.00 0.00 C ATOM 428 NE ARG A 28 8.371 -11.388 9.685 1.00 0.00 N ATOM 429 CZ ARG A 28 7.358 -11.822 10.460 1.00 0.00 C ATOM 430 NH1 ARG A 28 6.468 -10.966 10.955 1.00 0.00 N ATOM 431 NH2 ARG A 28 7.255 -13.108 10.753 1.00 0.00 N ATOM 0 H ARG A 28 7.875 -9.610 5.621 1.00 0.00 H new ATOM 0 HA ARG A 28 7.687 -8.307 7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.707 -8.304 7.138 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.849 -7.709 8.546 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.669 -10.553 7.463 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.651 -10.054 8.826 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.644 -9.348 10.069 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.626 -9.705 8.687 1.00 0.00 H new ATOM 0 HE ARG A 28 9.078 -12.069 9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.549 -9.970 10.749 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.705 -11.305 11.541 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.942 -13.770 10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.488 -13.438 11.340 1.00 0.00 H new ATOM 445 N ILE A 29 7.616 -6.212 5.650 1.00 0.00 N ATOM 446 CA ILE A 29 7.444 -4.839 5.245 1.00 0.00 C ATOM 447 C ILE A 29 6.557 -4.124 6.242 1.00 0.00 C ATOM 448 O ILE A 29 5.485 -4.614 6.585 1.00 0.00 O ATOM 449 CB ILE A 29 6.815 -4.741 3.830 1.00 0.00 C ATOM 450 CG1 ILE A 29 7.688 -5.507 2.817 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.678 -3.269 3.422 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.082 -5.675 1.452 1.00 0.00 C ATOM 0 H ILE A 29 6.991 -6.868 5.183 1.00 0.00 H new ATOM 0 HA ILE A 29 8.427 -4.369 5.214 1.00 0.00 H new ATOM 0 HB ILE A 29 5.822 -5.191 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.640 -4.985 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.908 -6.494 3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.236 -3.207 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.038 -2.751 4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.662 -2.801 3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.772 -6.226 0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.146 -6.227 1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.888 -4.695 1.017 1.00 0.00 H new ATOM 464 N ALA A 30 7.024 -3.006 6.733 1.00 0.00 N ATOM 465 CA ALA A 30 6.251 -2.193 7.637 1.00 0.00 C ATOM 466 C ALA A 30 5.280 -1.359 6.833 1.00 0.00 C ATOM 467 O ALA A 30 5.660 -0.773 5.822 1.00 0.00 O ATOM 468 CB ALA A 30 7.165 -1.301 8.444 1.00 0.00 C ATOM 0 H ALA A 30 7.949 -2.633 6.519 1.00 0.00 H new ATOM 0 HA ALA A 30 5.700 -2.831 8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.571 -0.691 9.124 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.858 -1.915 9.019 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.727 -0.653 7.772 1.00 0.00 H new ATOM 474 N TYR A 31 4.049 -1.313 7.268 1.00 0.00 N ATOM 475 CA TYR A 31 3.001 -0.595 6.571 1.00 0.00 C ATOM 476 C TYR A 31 2.004 -0.040 7.569 1.00 0.00 C ATOM 477 O TYR A 31 1.991 -0.465 8.724 1.00 0.00 O ATOM 478 CB TYR A 31 2.293 -1.526 5.555 1.00 0.00 C ATOM 479 CG TYR A 31 1.795 -2.846 6.137 1.00 0.00 C ATOM 480 CD1 TYR A 31 0.586 -2.928 6.811 1.00 0.00 C ATOM 481 CD2 TYR A 31 2.542 -4.008 6.002 1.00 0.00 C ATOM 482 CE1 TYR A 31 0.143 -4.124 7.332 1.00 0.00 C ATOM 483 CE2 TYR A 31 2.102 -5.209 6.522 1.00 0.00 C ATOM 484 CZ TYR A 31 0.905 -5.258 7.185 1.00 0.00 C ATOM 485 OH TYR A 31 0.460 -6.454 7.708 1.00 0.00 O ATOM 0 H TYR A 31 3.737 -1.775 8.122 1.00 0.00 H new ATOM 0 HA TYR A 31 3.446 0.235 6.022 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.446 -0.993 5.124 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.983 -1.742 4.739 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.018 -2.040 6.929 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.487 -3.972 5.480 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.801 -4.170 7.855 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.697 -6.103 6.407 1.00 0.00 H new ATOM 0 HH TYR A 31 1.114 -7.158 7.517 1.00 0.00 H new ATOM 495 N ASP A 32 1.189 0.890 7.129 1.00 0.00 N ATOM 496 CA ASP A 32 0.145 1.492 7.953 1.00 0.00 C ATOM 497 C ASP A 32 -1.200 1.201 7.319 1.00 0.00 C ATOM 498 O ASP A 32 -1.321 1.238 6.104 1.00 0.00 O ATOM 499 CB ASP A 32 0.358 3.014 8.067 1.00 0.00 C ATOM 500 CG ASP A 32 -0.710 3.702 8.897 1.00 0.00 C ATOM 501 OD1 ASP A 32 -0.919 3.309 10.062 1.00 0.00 O ATOM 502 OD2 ASP A 32 -1.328 4.674 8.419 1.00 0.00 O ATOM 0 H ASP A 32 1.226 1.260 6.179 1.00 0.00 H new ATOM 0 HA ASP A 32 0.183 1.069 8.957 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.335 3.206 8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.370 3.449 7.068 1.00 0.00 H new ATOM 507 N GLU A 33 -2.189 0.882 8.110 1.00 0.00 N ATOM 508 CA GLU A 33 -3.501 0.556 7.582 1.00 0.00 C ATOM 509 C GLU A 33 -4.561 1.486 8.132 1.00 0.00 C ATOM 510 O GLU A 33 -4.584 1.784 9.341 1.00 0.00 O ATOM 511 CB GLU A 33 -3.894 -0.860 7.960 1.00 0.00 C ATOM 512 CG GLU A 33 -3.015 -1.943 7.403 1.00 0.00 C ATOM 513 CD GLU A 33 -3.501 -3.293 7.818 1.00 0.00 C ATOM 514 OE1 GLU A 33 -4.462 -3.800 7.208 1.00 0.00 O ATOM 515 OE2 GLU A 33 -2.934 -3.886 8.751 1.00 0.00 O ATOM 0 H GLU A 33 -2.118 0.839 9.127 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.440 0.660 6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.896 -0.940 9.047 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.916 -1.037 7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.997 -1.878 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.991 -1.799 7.748 1.00 0.00 H new ATOM 522 N VAL A 34 -5.410 1.956 7.266 1.00 0.00 N ATOM 523 CA VAL A 34 -6.565 2.709 7.656 1.00 0.00 C ATOM 524 C VAL A 34 -7.730 2.248 6.787 1.00 0.00 C ATOM 525 O VAL A 34 -7.599 2.185 5.556 1.00 0.00 O ATOM 526 CB VAL A 34 -6.340 4.262 7.596 1.00 0.00 C ATOM 527 CG1 VAL A 34 -6.017 4.767 6.200 1.00 0.00 C ATOM 528 CG2 VAL A 34 -7.524 5.003 8.184 1.00 0.00 C ATOM 0 H VAL A 34 -5.319 1.826 6.258 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.786 2.517 8.706 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.460 4.469 8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.873 5.847 6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.105 4.289 5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.840 4.528 5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.344 6.077 8.131 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.424 4.757 7.620 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.657 4.708 9.225 1.00 0.00 H new ATOM 538 N ASP A 35 -8.825 1.855 7.400 1.00 0.00 N ATOM 539 CA ASP A 35 -9.941 1.328 6.630 1.00 0.00 C ATOM 540 C ASP A 35 -10.752 2.495 6.075 1.00 0.00 C ATOM 541 O ASP A 35 -10.954 3.519 6.755 1.00 0.00 O ATOM 542 CB ASP A 35 -10.814 0.450 7.531 1.00 0.00 C ATOM 543 CG ASP A 35 -11.784 -0.449 6.781 1.00 0.00 C ATOM 544 OD1 ASP A 35 -12.701 0.063 6.119 1.00 0.00 O ATOM 545 OD2 ASP A 35 -11.666 -1.707 6.900 1.00 0.00 O ATOM 0 H ASP A 35 -8.970 1.887 8.409 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.574 0.720 5.803 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.167 -0.171 8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.380 1.092 8.206 1.00 0.00 H new ATOM 550 N ILE A 36 -11.210 2.349 4.870 1.00 0.00 N ATOM 551 CA ILE A 36 -11.917 3.412 4.171 1.00 0.00 C ATOM 552 C ILE A 36 -13.410 3.475 4.488 1.00 0.00 C ATOM 553 O ILE A 36 -14.097 4.419 4.077 1.00 0.00 O ATOM 554 CB ILE A 36 -11.686 3.357 2.654 1.00 0.00 C ATOM 555 CG1 ILE A 36 -12.273 2.070 2.078 1.00 0.00 C ATOM 556 CG2 ILE A 36 -10.192 3.447 2.380 1.00 0.00 C ATOM 557 CD1 ILE A 36 -12.221 1.958 0.578 1.00 0.00 C ATOM 0 H ILE A 36 -11.111 1.490 4.329 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.482 4.336 4.553 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.187 4.196 2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.740 1.222 2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -13.312 1.989 2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.016 3.409 1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.805 4.385 2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.683 2.612 2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.661 1.010 0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.780 2.781 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.184 2.002 0.246 1.00 0.00 H new ATOM 569 N GLU A 37 -13.920 2.468 5.188 1.00 0.00 N ATOM 570 CA GLU A 37 -15.343 2.410 5.510 1.00 0.00 C ATOM 571 C GLU A 37 -15.728 3.607 6.381 1.00 0.00 C ATOM 572 O GLU A 37 -16.750 4.246 6.167 1.00 0.00 O ATOM 573 CB GLU A 37 -15.669 1.110 6.243 1.00 0.00 C ATOM 574 CG GLU A 37 -17.150 0.842 6.444 1.00 0.00 C ATOM 575 CD GLU A 37 -17.869 0.548 5.150 1.00 0.00 C ATOM 576 OE1 GLU A 37 -17.787 -0.607 4.660 1.00 0.00 O ATOM 577 OE2 GLU A 37 -18.551 1.447 4.613 1.00 0.00 O ATOM 0 H GLU A 37 -13.373 1.683 5.543 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.914 2.442 4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -15.237 0.278 5.687 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -15.183 1.128 7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.274 -0.001 7.123 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -17.610 1.707 6.922 1.00 0.00 H new ATOM 584 N HIS A 38 -14.895 3.900 7.354 1.00 0.00 N ATOM 585 CA HIS A 38 -15.134 5.033 8.233 1.00 0.00 C ATOM 586 C HIS A 38 -14.442 6.285 7.710 1.00 0.00 C ATOM 587 O HIS A 38 -14.906 7.406 7.931 1.00 0.00 O ATOM 588 CB HIS A 38 -14.701 4.731 9.678 1.00 0.00 C ATOM 589 CG HIS A 38 -15.579 3.737 10.401 1.00 0.00 C ATOM 590 ND1 HIS A 38 -16.271 4.027 11.558 1.00 0.00 N ATOM 591 CD2 HIS A 38 -15.854 2.436 10.126 1.00 0.00 C ATOM 592 CE1 HIS A 38 -16.923 2.931 11.944 1.00 0.00 C ATOM 593 NE2 HIS A 38 -16.707 1.929 11.106 1.00 0.00 N ATOM 0 H HIS A 38 -14.046 3.373 7.560 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.208 5.216 8.243 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -13.679 4.352 9.666 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.689 5.663 10.242 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.472 1.881 9.282 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -17.546 2.868 12.824 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -17.085 0.984 11.165 1.00 0.00 H new ATOM 601 N ASN A 39 -13.348 6.101 7.001 1.00 0.00 N ATOM 602 CA ASN A 39 -12.620 7.229 6.437 1.00 0.00 C ATOM 603 C ASN A 39 -13.041 7.470 5.015 1.00 0.00 C ATOM 604 O ASN A 39 -12.481 6.896 4.076 1.00 0.00 O ATOM 605 CB ASN A 39 -11.094 7.064 6.520 1.00 0.00 C ATOM 606 CG ASN A 39 -10.533 7.177 7.908 1.00 0.00 C ATOM 607 OD1 ASN A 39 -11.165 6.800 8.904 1.00 0.00 O ATOM 608 ND2 ASN A 39 -9.362 7.719 8.001 1.00 0.00 N ATOM 0 H ASN A 39 -12.941 5.188 6.800 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.876 8.097 7.045 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.823 6.091 6.110 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.624 7.818 5.889 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.931 7.847 8.916 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.870 8.018 7.159 1.00 0.00 H new ATOM 615 N ARG A 40 -14.023 8.319 4.849 1.00 0.00 N ATOM 616 CA ARG A 40 -14.601 8.560 3.555 1.00 0.00 C ATOM 617 C ARG A 40 -13.715 9.436 2.680 1.00 0.00 C ATOM 618 O ARG A 40 -13.754 9.328 1.458 1.00 0.00 O ATOM 619 CB ARG A 40 -16.029 9.083 3.680 1.00 0.00 C ATOM 620 CG ARG A 40 -16.754 9.266 2.359 1.00 0.00 C ATOM 621 CD ARG A 40 -18.245 9.325 2.586 1.00 0.00 C ATOM 622 NE ARG A 40 -18.737 8.061 3.159 1.00 0.00 N ATOM 623 CZ ARG A 40 -19.858 7.914 3.876 1.00 0.00 C ATOM 624 NH1 ARG A 40 -20.624 8.965 4.157 1.00 0.00 N ATOM 625 NH2 ARG A 40 -20.194 6.721 4.322 1.00 0.00 N ATOM 0 H ARG A 40 -14.442 8.860 5.605 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.662 7.604 3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.601 8.394 4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.007 10.039 4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.416 10.182 1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.514 8.442 1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.483 10.151 3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.753 9.524 1.643 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.175 7.225 2.996 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.359 9.892 3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -21.476 8.843 4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.601 5.916 4.121 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.047 6.603 4.869 1.00 0.00 H new ATOM 639 N ALA A 41 -12.877 10.266 3.289 1.00 0.00 N ATOM 640 CA ALA A 41 -11.939 11.063 2.502 1.00 0.00 C ATOM 641 C ALA A 41 -10.904 10.135 1.893 1.00 0.00 C ATOM 642 O ALA A 41 -10.434 10.342 0.768 1.00 0.00 O ATOM 643 CB ALA A 41 -11.265 12.138 3.336 1.00 0.00 C ATOM 0 H ALA A 41 -12.825 10.405 4.298 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.493 11.577 1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.576 12.706 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.021 12.809 3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.713 11.672 4.153 1.00 0.00 H new ATOM 649 N ALA A 42 -10.588 9.084 2.629 1.00 0.00 N ATOM 650 CA ALA A 42 -9.683 8.072 2.154 1.00 0.00 C ATOM 651 C ALA A 42 -10.366 7.240 1.091 1.00 0.00 C ATOM 652 O ALA A 42 -9.757 6.902 0.097 1.00 0.00 O ATOM 653 CB ALA A 42 -9.203 7.192 3.285 1.00 0.00 C ATOM 0 H ALA A 42 -10.953 8.915 3.566 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.810 8.563 1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.521 6.437 2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.685 7.801 4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.057 6.702 3.752 1.00 0.00 H new ATOM 659 N ALA A 43 -11.652 6.933 1.307 1.00 0.00 N ATOM 660 CA ALA A 43 -12.466 6.183 0.338 1.00 0.00 C ATOM 661 C ALA A 43 -12.563 6.942 -0.979 1.00 0.00 C ATOM 662 O ALA A 43 -12.557 6.342 -2.066 1.00 0.00 O ATOM 663 CB ALA A 43 -13.859 5.927 0.891 1.00 0.00 C ATOM 0 H ALA A 43 -12.156 7.196 2.154 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.979 5.225 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.445 5.371 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.784 5.348 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.348 6.878 1.100 1.00 0.00 H new ATOM 669 N GLU A 44 -12.670 8.253 -0.868 1.00 0.00 N ATOM 670 CA GLU A 44 -12.678 9.155 -2.000 1.00 0.00 C ATOM 671 C GLU A 44 -11.356 9.002 -2.751 1.00 0.00 C ATOM 672 O GLU A 44 -11.327 8.700 -3.959 1.00 0.00 O ATOM 673 CB GLU A 44 -12.824 10.599 -1.476 1.00 0.00 C ATOM 674 CG GLU A 44 -12.880 11.681 -2.539 1.00 0.00 C ATOM 675 CD GLU A 44 -14.117 11.602 -3.379 1.00 0.00 C ATOM 676 OE1 GLU A 44 -14.138 10.846 -4.357 1.00 0.00 O ATOM 677 OE2 GLU A 44 -15.091 12.308 -3.092 1.00 0.00 O ATOM 0 H GLU A 44 -12.755 8.728 0.031 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.506 8.928 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.731 10.658 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.987 10.811 -0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.833 12.659 -2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.003 11.599 -3.182 1.00 0.00 H new ATOM 684 N PHE A 45 -10.282 9.146 -1.995 1.00 0.00 N ATOM 685 CA PHE A 45 -8.926 9.060 -2.486 1.00 0.00 C ATOM 686 C PHE A 45 -8.652 7.711 -3.184 1.00 0.00 C ATOM 687 O PHE A 45 -8.306 7.673 -4.371 1.00 0.00 O ATOM 688 CB PHE A 45 -7.954 9.281 -1.316 1.00 0.00 C ATOM 689 CG PHE A 45 -6.514 9.251 -1.711 1.00 0.00 C ATOM 690 CD1 PHE A 45 -5.929 10.353 -2.305 1.00 0.00 C ATOM 691 CD2 PHE A 45 -5.748 8.116 -1.499 1.00 0.00 C ATOM 692 CE1 PHE A 45 -4.606 10.328 -2.680 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.427 8.088 -1.875 1.00 0.00 C ATOM 694 CZ PHE A 45 -3.854 9.196 -2.467 1.00 0.00 C ATOM 0 H PHE A 45 -10.335 9.331 -0.993 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.777 9.836 -3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.173 10.242 -0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.129 8.515 -0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.517 11.243 -2.476 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.192 7.248 -1.035 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.158 11.196 -3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.837 7.199 -1.708 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.816 9.174 -2.763 1.00 0.00 H new ATOM 704 N VAL A 46 -8.844 6.619 -2.467 1.00 0.00 N ATOM 705 CA VAL A 46 -8.579 5.291 -3.012 1.00 0.00 C ATOM 706 C VAL A 46 -9.514 4.955 -4.180 1.00 0.00 C ATOM 707 O VAL A 46 -9.098 4.321 -5.137 1.00 0.00 O ATOM 708 CB VAL A 46 -8.574 4.178 -1.910 1.00 0.00 C ATOM 709 CG1 VAL A 46 -9.839 4.132 -1.171 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.317 2.822 -2.464 1.00 0.00 C ATOM 0 H VAL A 46 -9.183 6.621 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.567 5.317 -3.417 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.760 4.451 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.792 3.346 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.011 5.092 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.656 3.924 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.325 2.091 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.093 2.571 -3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.344 2.808 -2.956 1.00 0.00 H new ATOM 720 N GLY A 47 -10.736 5.463 -4.138 1.00 0.00 N ATOM 721 CA GLY A 47 -11.682 5.218 -5.211 1.00 0.00 C ATOM 722 C GLY A 47 -11.266 5.886 -6.514 1.00 0.00 C ATOM 723 O GLY A 47 -11.543 5.377 -7.602 1.00 0.00 O ATOM 0 H GLY A 47 -11.092 6.043 -3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.777 4.144 -5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.665 5.584 -4.916 1.00 0.00 H new ATOM 727 N SER A 48 -10.581 7.010 -6.406 1.00 0.00 N ATOM 728 CA SER A 48 -10.139 7.735 -7.577 1.00 0.00 C ATOM 729 C SER A 48 -8.855 7.151 -8.178 1.00 0.00 C ATOM 730 O SER A 48 -8.577 7.329 -9.359 1.00 0.00 O ATOM 731 CB SER A 48 -9.988 9.229 -7.260 1.00 0.00 C ATOM 732 OG SER A 48 -9.180 9.458 -6.107 1.00 0.00 O ATOM 0 H SER A 48 -10.320 7.438 -5.518 1.00 0.00 H new ATOM 0 HA SER A 48 -10.909 7.623 -8.340 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.547 9.737 -8.117 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.974 9.666 -7.103 1.00 0.00 H new ATOM 0 HG SER A 48 -8.751 8.619 -5.836 1.00 0.00 H new ATOM 738 N VAL A 49 -8.100 6.428 -7.370 1.00 0.00 N ATOM 739 CA VAL A 49 -6.829 5.848 -7.812 1.00 0.00 C ATOM 740 C VAL A 49 -6.958 4.331 -7.955 1.00 0.00 C ATOM 741 O VAL A 49 -5.961 3.600 -8.089 1.00 0.00 O ATOM 742 CB VAL A 49 -5.675 6.184 -6.818 1.00 0.00 C ATOM 743 CG1 VAL A 49 -5.446 7.677 -6.749 1.00 0.00 C ATOM 744 CG2 VAL A 49 -5.988 5.664 -5.435 1.00 0.00 C ATOM 0 H VAL A 49 -8.340 6.224 -6.400 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.586 6.284 -8.781 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.771 5.698 -7.186 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.637 7.889 -6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.179 8.050 -7.738 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.357 8.170 -6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.169 5.910 -4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.908 6.124 -5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.114 4.582 -5.473 1.00 0.00 H new ATOM 754 N ASN A 50 -8.180 3.864 -7.934 1.00 0.00 N ATOM 755 CA ASN A 50 -8.452 2.443 -8.017 1.00 0.00 C ATOM 756 C ASN A 50 -8.745 2.061 -9.446 1.00 0.00 C ATOM 757 O ASN A 50 -8.636 2.892 -10.355 1.00 0.00 O ATOM 758 CB ASN A 50 -9.677 2.066 -7.180 1.00 0.00 C ATOM 759 CG ASN A 50 -9.380 0.990 -6.179 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.177 0.097 -5.942 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.283 1.096 -5.535 1.00 0.00 N ATOM 0 H ASN A 50 -9.012 4.449 -7.860 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.573 1.919 -7.643 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.043 2.951 -6.659 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.476 1.732 -7.842 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.055 0.424 -4.802 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.634 1.852 -5.753 1.00 0.00 H new ATOM 768 N GLY A 51 -9.145 0.830 -9.649 1.00 0.00 N ATOM 769 CA GLY A 51 -9.524 0.377 -10.958 1.00 0.00 C ATOM 770 C GLY A 51 -10.989 0.639 -11.205 1.00 0.00 C ATOM 771 O GLY A 51 -11.804 -0.275 -11.184 1.00 0.00 O ATOM 0 H GLY A 51 -9.216 0.123 -8.918 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.925 0.887 -11.713 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.318 -0.689 -11.054 1.00 0.00 H new ATOM 775 N GLY A 52 -11.328 1.893 -11.369 1.00 0.00 N ATOM 776 CA GLY A 52 -12.690 2.273 -11.632 1.00 0.00 C ATOM 777 C GLY A 52 -13.485 2.519 -10.371 1.00 0.00 C ATOM 778 O GLY A 52 -13.856 3.655 -10.069 1.00 0.00 O ATOM 0 H GLY A 52 -10.672 2.673 -11.324 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.699 3.176 -12.243 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.175 1.489 -12.214 1.00 0.00 H new ATOM 782 N ASN A 53 -13.726 1.471 -9.634 1.00 0.00 N ATOM 783 CA ASN A 53 -14.520 1.525 -8.412 1.00 0.00 C ATOM 784 C ASN A 53 -13.617 1.063 -7.284 1.00 0.00 C ATOM 785 O ASN A 53 -12.679 0.305 -7.544 1.00 0.00 O ATOM 786 CB ASN A 53 -15.732 0.568 -8.550 1.00 0.00 C ATOM 787 CG ASN A 53 -16.832 0.759 -7.502 1.00 0.00 C ATOM 788 OD1 ASN A 53 -16.595 1.210 -6.384 1.00 0.00 O ATOM 789 ND2 ASN A 53 -18.040 0.390 -7.854 1.00 0.00 N ATOM 0 H ASN A 53 -13.378 0.539 -9.857 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.895 2.530 -8.220 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.168 0.699 -9.540 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.372 -0.459 -8.494 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.812 0.474 -7.193 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -18.208 0.019 -8.789 1.00 0.00 H new ATOM 796 N ARG A 54 -13.849 1.531 -6.063 1.00 0.00 N ATOM 797 CA ARG A 54 -13.020 1.122 -4.944 1.00 0.00 C ATOM 798 C ARG A 54 -13.292 -0.357 -4.616 1.00 0.00 C ATOM 799 O ARG A 54 -14.408 -0.745 -4.271 1.00 0.00 O ATOM 800 CB ARG A 54 -13.157 2.056 -3.680 1.00 0.00 C ATOM 801 CG ARG A 54 -14.364 1.828 -2.744 1.00 0.00 C ATOM 802 CD ARG A 54 -15.710 2.057 -3.409 1.00 0.00 C ATOM 803 NE ARG A 54 -16.813 1.670 -2.516 1.00 0.00 N ATOM 804 CZ ARG A 54 -17.853 0.899 -2.872 1.00 0.00 C ATOM 805 NH1 ARG A 54 -18.012 0.523 -4.129 1.00 0.00 N ATOM 806 NH2 ARG A 54 -18.736 0.532 -1.962 1.00 0.00 N ATOM 0 H ARG A 54 -14.595 2.185 -5.828 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.979 1.231 -5.248 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.249 1.952 -3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.194 3.088 -4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.327 0.808 -2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.276 2.493 -1.885 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.810 3.107 -3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.766 1.481 -4.332 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.786 2.013 -1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.341 0.819 -4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.805 -0.063 -4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.626 0.834 -0.994 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -19.528 -0.054 -2.227 1.00 0.00 H new ATOM 820 N THR A 55 -12.298 -1.164 -4.808 1.00 0.00 N ATOM 821 CA THR A 55 -12.413 -2.578 -4.580 1.00 0.00 C ATOM 822 C THR A 55 -11.030 -3.188 -4.269 1.00 0.00 C ATOM 823 O THR A 55 -10.918 -4.146 -3.483 1.00 0.00 O ATOM 824 CB THR A 55 -13.099 -3.286 -5.816 1.00 0.00 C ATOM 825 OG1 THR A 55 -13.299 -4.697 -5.589 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.295 -3.078 -7.101 1.00 0.00 C ATOM 0 H THR A 55 -11.377 -0.864 -5.129 1.00 0.00 H new ATOM 0 HA THR A 55 -13.050 -2.744 -3.711 1.00 0.00 H new ATOM 0 HB THR A 55 -14.076 -2.817 -5.934 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.726 -5.097 -6.375 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.797 -3.579 -7.929 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.219 -2.012 -7.314 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.296 -3.495 -6.977 1.00 0.00 H new ATOM 834 N VAL A 56 -9.975 -2.600 -4.818 1.00 0.00 N ATOM 835 CA VAL A 56 -8.639 -3.117 -4.611 1.00 0.00 C ATOM 836 C VAL A 56 -7.826 -2.215 -3.686 1.00 0.00 C ATOM 837 O VAL A 56 -7.950 -0.981 -3.736 1.00 0.00 O ATOM 838 CB VAL A 56 -7.865 -3.371 -5.944 1.00 0.00 C ATOM 839 CG1 VAL A 56 -8.485 -4.521 -6.716 1.00 0.00 C ATOM 840 CG2 VAL A 56 -7.834 -2.127 -6.820 1.00 0.00 C ATOM 0 H VAL A 56 -10.023 -1.768 -5.407 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.769 -4.086 -4.129 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.840 -3.629 -5.676 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.930 -4.680 -7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.449 -5.427 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.522 -4.283 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.287 -2.342 -7.738 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.853 -1.830 -7.066 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.339 -1.317 -6.284 1.00 0.00 H new ATOM 850 N PRO A 57 -6.995 -2.817 -2.820 1.00 0.00 N ATOM 851 CA PRO A 57 -6.166 -2.076 -1.879 1.00 0.00 C ATOM 852 C PRO A 57 -5.170 -1.182 -2.607 1.00 0.00 C ATOM 853 O PRO A 57 -4.519 -1.601 -3.568 1.00 0.00 O ATOM 854 CB PRO A 57 -5.426 -3.173 -1.083 1.00 0.00 C ATOM 855 CG PRO A 57 -5.511 -4.391 -1.933 1.00 0.00 C ATOM 856 CD PRO A 57 -6.787 -4.268 -2.712 1.00 0.00 C ATOM 0 HA PRO A 57 -6.755 -1.415 -1.243 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.389 -2.894 -0.897 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.891 -3.337 -0.111 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.652 -4.461 -2.601 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.513 -5.293 -1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.703 -4.734 -3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.617 -4.754 -2.199 1.00 0.00 H new ATOM 864 N THR A 58 -5.093 0.042 -2.202 1.00 0.00 N ATOM 865 CA THR A 58 -4.166 0.950 -2.808 1.00 0.00 C ATOM 866 C THR A 58 -3.173 1.404 -1.764 1.00 0.00 C ATOM 867 O THR A 58 -3.549 1.652 -0.613 1.00 0.00 O ATOM 868 CB THR A 58 -4.905 2.153 -3.401 1.00 0.00 C ATOM 869 OG1 THR A 58 -5.954 1.647 -4.206 1.00 0.00 O ATOM 870 CG2 THR A 58 -3.991 2.962 -4.292 1.00 0.00 C ATOM 0 H THR A 58 -5.660 0.441 -1.453 1.00 0.00 H new ATOM 0 HA THR A 58 -3.639 0.446 -3.618 1.00 0.00 H new ATOM 0 HB THR A 58 -5.268 2.789 -2.594 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.684 1.670 -5.148 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.539 3.811 -4.701 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.143 3.324 -3.711 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.631 2.336 -5.108 1.00 0.00 H new ATOM 878 N VAL A 59 -1.926 1.468 -2.137 1.00 0.00 N ATOM 879 CA VAL A 59 -0.902 1.867 -1.220 1.00 0.00 C ATOM 880 C VAL A 59 -0.428 3.283 -1.523 1.00 0.00 C ATOM 881 O VAL A 59 -0.149 3.625 -2.682 1.00 0.00 O ATOM 882 CB VAL A 59 0.300 0.872 -1.215 1.00 0.00 C ATOM 883 CG1 VAL A 59 -0.148 -0.509 -0.768 1.00 0.00 C ATOM 884 CG2 VAL A 59 0.963 0.778 -2.581 1.00 0.00 C ATOM 0 H VAL A 59 -1.595 1.247 -3.076 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.339 1.852 -0.222 1.00 0.00 H new ATOM 0 HB VAL A 59 1.033 1.260 -0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.705 -1.187 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.560 -0.450 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.911 -0.883 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.795 0.075 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.236 0.431 -3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.334 1.760 -2.874 1.00 0.00 H new ATOM 894 N LYS A 60 -0.417 4.113 -0.513 1.00 0.00 N ATOM 895 CA LYS A 60 0.118 5.456 -0.643 1.00 0.00 C ATOM 896 C LYS A 60 1.449 5.455 0.041 1.00 0.00 C ATOM 897 O LYS A 60 1.522 5.159 1.224 1.00 0.00 O ATOM 898 CB LYS A 60 -0.800 6.513 0.011 1.00 0.00 C ATOM 899 CG LYS A 60 -0.396 7.953 -0.298 1.00 0.00 C ATOM 900 CD LYS A 60 -1.393 8.996 0.244 1.00 0.00 C ATOM 901 CE LYS A 60 -1.223 9.336 1.736 1.00 0.00 C ATOM 902 NZ LYS A 60 -1.476 8.214 2.664 1.00 0.00 N ATOM 0 H LYS A 60 -0.773 3.887 0.416 1.00 0.00 H new ATOM 0 HA LYS A 60 0.198 5.719 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.823 6.352 -0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.795 6.367 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.589 8.146 0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.305 8.074 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.291 9.912 -0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.406 8.628 0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.208 9.700 1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.898 10.154 1.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.472 8.565 3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.402 7.790 2.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.733 7.495 2.551 1.00 0.00 H new ATOM 916 N PHE A 61 2.485 5.738 -0.678 1.00 0.00 N ATOM 917 CA PHE A 61 3.816 5.710 -0.108 1.00 0.00 C ATOM 918 C PHE A 61 4.099 6.988 0.636 1.00 0.00 C ATOM 919 O PHE A 61 3.285 7.919 0.617 1.00 0.00 O ATOM 920 CB PHE A 61 4.868 5.491 -1.188 1.00 0.00 C ATOM 921 CG PHE A 61 4.748 4.183 -1.891 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.826 4.020 -2.902 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.554 3.115 -1.539 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.703 2.826 -3.551 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.438 1.908 -2.186 1.00 0.00 C ATOM 926 CZ PHE A 61 4.508 1.763 -3.197 1.00 0.00 C ATOM 0 H PHE A 61 2.448 5.993 -1.665 1.00 0.00 H new ATOM 0 HA PHE A 61 3.863 4.876 0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.795 6.294 -1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.858 5.560 -0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.193 4.848 -3.184 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.281 3.231 -0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.976 2.713 -4.341 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.070 1.078 -1.906 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.411 0.818 -3.710 1.00 0.00 H new ATOM 936 N ALA A 62 5.236 7.033 1.294 1.00 0.00 N ATOM 937 CA ALA A 62 5.681 8.214 2.020 1.00 0.00 C ATOM 938 C ALA A 62 5.813 9.421 1.092 1.00 0.00 C ATOM 939 O ALA A 62 5.634 10.557 1.515 1.00 0.00 O ATOM 940 CB ALA A 62 7.006 7.935 2.705 1.00 0.00 C ATOM 0 H ALA A 62 5.886 6.249 1.344 1.00 0.00 H new ATOM 0 HA ALA A 62 4.929 8.450 2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.331 8.824 3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.887 7.108 3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.754 7.672 1.957 1.00 0.00 H new ATOM 946 N ASP A 63 6.082 9.167 -0.181 1.00 0.00 N ATOM 947 CA ASP A 63 6.249 10.244 -1.158 1.00 0.00 C ATOM 948 C ASP A 63 4.888 10.839 -1.551 1.00 0.00 C ATOM 949 O ASP A 63 4.817 11.908 -2.155 1.00 0.00 O ATOM 950 CB ASP A 63 6.987 9.756 -2.413 1.00 0.00 C ATOM 951 CG ASP A 63 6.133 8.885 -3.301 1.00 0.00 C ATOM 952 OD1 ASP A 63 6.074 7.667 -3.087 1.00 0.00 O ATOM 953 OD2 ASP A 63 5.500 9.414 -4.235 1.00 0.00 O ATOM 0 H ASP A 63 6.190 8.228 -0.565 1.00 0.00 H new ATOM 0 HA ASP A 63 6.853 11.019 -0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.331 10.619 -2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.874 9.198 -2.112 1.00 0.00 H new ATOM 958 N GLY A 64 3.819 10.130 -1.222 1.00 0.00 N ATOM 959 CA GLY A 64 2.491 10.623 -1.482 1.00 0.00 C ATOM 960 C GLY A 64 1.813 9.966 -2.668 1.00 0.00 C ATOM 961 O GLY A 64 0.584 9.978 -2.760 1.00 0.00 O ATOM 0 H GLY A 64 3.853 9.214 -0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.877 10.470 -0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.540 11.698 -1.654 1.00 0.00 H new ATOM 965 N SER A 65 2.576 9.395 -3.571 1.00 0.00 N ATOM 966 CA SER A 65 1.990 8.780 -4.748 1.00 0.00 C ATOM 967 C SER A 65 1.486 7.370 -4.421 1.00 0.00 C ATOM 968 O SER A 65 1.926 6.751 -3.427 1.00 0.00 O ATOM 969 CB SER A 65 3.015 8.737 -5.868 1.00 0.00 C ATOM 970 OG SER A 65 3.632 10.011 -6.027 1.00 0.00 O ATOM 0 H SER A 65 3.593 9.341 -3.519 1.00 0.00 H new ATOM 0 HA SER A 65 1.138 9.376 -5.074 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.772 7.984 -5.648 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.533 8.441 -6.800 1.00 0.00 H new ATOM 0 HG SER A 65 4.330 10.123 -5.349 1.00 0.00 H new ATOM 976 N THR A 66 0.571 6.873 -5.226 1.00 0.00 N ATOM 977 CA THR A 66 0.006 5.573 -5.006 1.00 0.00 C ATOM 978 C THR A 66 0.380 4.605 -6.103 1.00 0.00 C ATOM 979 O THR A 66 0.853 5.003 -7.176 1.00 0.00 O ATOM 980 CB THR A 66 -1.534 5.631 -4.963 1.00 0.00 C ATOM 981 OG1 THR A 66 -2.046 6.234 -6.165 1.00 0.00 O ATOM 982 CG2 THR A 66 -2.024 6.391 -3.761 1.00 0.00 C ATOM 0 H THR A 66 0.205 7.360 -6.044 1.00 0.00 H new ATOM 0 HA THR A 66 0.407 5.233 -4.051 1.00 0.00 H new ATOM 0 HB THR A 66 -1.900 4.607 -4.889 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.005 6.409 -6.061 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.114 6.412 -3.763 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.672 5.902 -2.853 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.642 7.411 -3.795 1.00 0.00 H new ATOM 990 N LEU A 67 0.199 3.351 -5.807 1.00 0.00 N ATOM 991 CA LEU A 67 0.270 2.284 -6.763 1.00 0.00 C ATOM 992 C LEU A 67 -0.929 1.390 -6.500 1.00 0.00 C ATOM 993 O LEU A 67 -1.129 0.945 -5.353 1.00 0.00 O ATOM 994 CB LEU A 67 1.595 1.468 -6.661 1.00 0.00 C ATOM 995 CG LEU A 67 2.913 2.177 -7.063 1.00 0.00 C ATOM 996 CD1 LEU A 67 4.113 1.234 -6.917 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.836 2.679 -8.497 1.00 0.00 C ATOM 0 H LEU A 67 -0.009 3.032 -4.861 1.00 0.00 H new ATOM 0 HA LEU A 67 0.258 2.695 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.699 1.126 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.490 0.579 -7.283 1.00 0.00 H new ATOM 0 HG LEU A 67 3.048 3.025 -6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.024 1.758 -7.206 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.195 0.907 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.974 0.366 -7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.771 3.174 -8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.670 1.837 -9.169 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.012 3.387 -8.591 1.00 0.00 H new ATOM 1009 N THR A 68 -1.773 1.209 -7.505 1.00 0.00 N ATOM 1010 CA THR A 68 -2.928 0.343 -7.399 1.00 0.00 C ATOM 1011 C THR A 68 -2.421 -1.101 -7.154 1.00 0.00 C ATOM 1012 O THR A 68 -1.474 -1.518 -7.825 1.00 0.00 O ATOM 1013 CB THR A 68 -3.756 0.427 -8.706 1.00 0.00 C ATOM 1014 OG1 THR A 68 -4.008 1.825 -9.027 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.092 -0.279 -8.546 1.00 0.00 C ATOM 0 H THR A 68 -1.673 1.660 -8.414 1.00 0.00 H new ATOM 0 HA THR A 68 -3.571 0.647 -6.573 1.00 0.00 H new ATOM 0 HB THR A 68 -3.190 -0.055 -9.503 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.780 2.144 -8.514 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.655 -0.207 -9.476 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.922 -1.328 -8.305 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.658 0.191 -7.742 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.087 -1.830 -6.220 1.00 0.00 N ATOM 1024 CA ASN A 69 -2.672 -3.176 -5.658 1.00 0.00 C ATOM 1025 C ASN A 69 -1.432 -3.851 -6.286 1.00 0.00 C ATOM 1026 O ASN A 69 -1.524 -4.664 -7.217 1.00 0.00 O ATOM 1027 CB ASN A 69 -3.858 -4.182 -5.510 1.00 0.00 C ATOM 1028 CG ASN A 69 -4.586 -4.534 -6.808 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -4.661 -3.735 -7.731 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -5.155 -5.725 -6.871 1.00 0.00 N ATOM 0 H ASN A 69 -3.961 -1.499 -5.813 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.335 -2.894 -4.661 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.478 -5.102 -5.065 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.581 -3.764 -4.810 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.674 -5.999 -7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.075 -6.370 -6.085 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.251 -3.450 -5.788 1.00 0.00 N ATOM 1038 CA PRO A 70 1.045 -3.996 -6.181 1.00 0.00 C ATOM 1039 C PRO A 70 1.536 -5.067 -5.201 1.00 0.00 C ATOM 1040 O PRO A 70 1.274 -4.988 -4.003 1.00 0.00 O ATOM 1041 CB PRO A 70 1.937 -2.762 -6.097 1.00 0.00 C ATOM 1042 CG PRO A 70 1.328 -1.911 -5.016 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.090 -2.373 -4.811 1.00 0.00 C ATOM 0 HA PRO A 70 1.027 -4.485 -7.155 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.964 -3.034 -5.853 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.965 -2.230 -7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.897 -2.003 -4.091 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.350 -0.859 -5.300 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.252 -2.729 -3.793 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.802 -1.566 -4.984 1.00 0.00 H new ATOM 1051 N SER A 71 2.261 -6.046 -5.699 1.00 0.00 N ATOM 1052 CA SER A 71 2.746 -7.108 -4.856 1.00 0.00 C ATOM 1053 C SER A 71 3.961 -6.617 -4.042 1.00 0.00 C ATOM 1054 O SER A 71 4.464 -5.498 -4.269 1.00 0.00 O ATOM 1055 CB SER A 71 3.089 -8.348 -5.697 1.00 0.00 C ATOM 1056 OG SER A 71 3.367 -9.480 -4.876 1.00 0.00 O ATOM 0 H SER A 71 2.525 -6.125 -6.681 1.00 0.00 H new ATOM 0 HA SER A 71 1.964 -7.397 -4.154 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.258 -8.577 -6.364 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.953 -8.134 -6.326 1.00 0.00 H new ATOM 0 HG SER A 71 3.579 -10.251 -5.443 1.00 0.00 H new ATOM 1062 N ALA A 72 4.442 -7.467 -3.132 1.00 0.00 N ATOM 1063 CA ALA A 72 5.524 -7.132 -2.204 1.00 0.00 C ATOM 1064 C ALA A 72 6.761 -6.662 -2.926 1.00 0.00 C ATOM 1065 O ALA A 72 7.350 -5.668 -2.555 1.00 0.00 O ATOM 1066 CB ALA A 72 5.866 -8.316 -1.339 1.00 0.00 C ATOM 0 H ALA A 72 4.088 -8.417 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 72 5.165 -6.315 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.672 -8.047 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.988 -8.613 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.186 -9.146 -1.969 1.00 0.00 H new ATOM 1072 N ASP A 73 7.127 -7.352 -3.972 1.00 0.00 N ATOM 1073 CA ASP A 73 8.312 -6.995 -4.750 1.00 0.00 C ATOM 1074 C ASP A 73 8.197 -5.591 -5.349 1.00 0.00 C ATOM 1075 O ASP A 73 9.154 -4.799 -5.309 1.00 0.00 O ATOM 1076 CB ASP A 73 8.553 -8.009 -5.855 1.00 0.00 C ATOM 1077 CG ASP A 73 9.701 -7.611 -6.734 1.00 0.00 C ATOM 1078 OD1 ASP A 73 10.865 -7.795 -6.328 1.00 0.00 O ATOM 1079 OD2 ASP A 73 9.462 -7.101 -7.840 1.00 0.00 O ATOM 0 H ASP A 73 6.627 -8.171 -4.317 1.00 0.00 H new ATOM 0 HA ASP A 73 9.160 -7.001 -4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.754 -8.986 -5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.651 -8.111 -6.459 1.00 0.00 H new ATOM 1084 N GLU A 74 7.017 -5.281 -5.844 1.00 0.00 N ATOM 1085 CA GLU A 74 6.748 -4.003 -6.475 1.00 0.00 C ATOM 1086 C GLU A 74 6.788 -2.874 -5.453 1.00 0.00 C ATOM 1087 O GLU A 74 7.344 -1.802 -5.722 1.00 0.00 O ATOM 1088 CB GLU A 74 5.401 -4.039 -7.175 1.00 0.00 C ATOM 1089 CG GLU A 74 5.313 -5.070 -8.283 1.00 0.00 C ATOM 1090 CD GLU A 74 3.938 -5.148 -8.867 1.00 0.00 C ATOM 1091 OE1 GLU A 74 3.629 -4.373 -9.798 1.00 0.00 O ATOM 1092 OE2 GLU A 74 3.137 -5.981 -8.389 1.00 0.00 O ATOM 0 H GLU A 74 6.214 -5.909 -5.821 1.00 0.00 H new ATOM 0 HA GLU A 74 7.524 -3.815 -7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.625 -4.245 -6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.192 -3.054 -7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.027 -4.821 -9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.597 -6.047 -7.893 1.00 0.00 H new ATOM 1099 N VAL A 75 6.215 -3.116 -4.276 1.00 0.00 N ATOM 1100 CA VAL A 75 6.256 -2.117 -3.224 1.00 0.00 C ATOM 1101 C VAL A 75 7.659 -1.930 -2.671 1.00 0.00 C ATOM 1102 O VAL A 75 8.088 -0.795 -2.462 1.00 0.00 O ATOM 1103 CB VAL A 75 5.215 -2.316 -2.078 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.844 -1.936 -2.550 1.00 0.00 C ATOM 1105 CG2 VAL A 75 5.158 -3.741 -1.594 1.00 0.00 C ATOM 0 H VAL A 75 5.727 -3.979 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 75 5.953 -1.195 -3.721 1.00 0.00 H new ATOM 0 HB VAL A 75 5.538 -1.677 -1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.128 -2.080 -1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.841 -0.890 -2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.564 -2.562 -3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.419 -3.825 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.878 -4.395 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.136 -4.036 -1.214 1.00 0.00 H new ATOM 1115 N LYS A 76 8.389 -3.038 -2.492 1.00 0.00 N ATOM 1116 CA LYS A 76 9.775 -2.992 -2.009 1.00 0.00 C ATOM 1117 C LYS A 76 10.631 -2.148 -2.920 1.00 0.00 C ATOM 1118 O LYS A 76 11.379 -1.309 -2.448 1.00 0.00 O ATOM 1119 CB LYS A 76 10.387 -4.392 -1.906 1.00 0.00 C ATOM 1120 CG LYS A 76 9.785 -5.260 -0.820 1.00 0.00 C ATOM 1121 CD LYS A 76 10.288 -6.698 -0.891 1.00 0.00 C ATOM 1122 CE LYS A 76 11.779 -6.812 -0.624 1.00 0.00 C ATOM 1123 NZ LYS A 76 12.247 -8.213 -0.734 1.00 0.00 N ATOM 0 H LYS A 76 8.042 -3.980 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 76 9.748 -2.548 -1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.270 -4.898 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.457 -4.295 -1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.027 -4.839 0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.699 -5.251 -0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.746 -7.304 -0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.067 -7.107 -1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.325 -6.189 -1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.001 -6.431 0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.205 -8.291 -0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.602 -8.837 -0.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.263 -8.496 -1.735 1.00 0.00 H new ATOM 1137 N ALA A 77 10.462 -2.349 -4.225 1.00 0.00 N ATOM 1138 CA ALA A 77 11.241 -1.655 -5.248 1.00 0.00 C ATOM 1139 C ALA A 77 11.113 -0.138 -5.155 1.00 0.00 C ATOM 1140 O ALA A 77 12.080 0.586 -5.394 1.00 0.00 O ATOM 1141 CB ALA A 77 10.839 -2.130 -6.633 1.00 0.00 C ATOM 0 H ALA A 77 9.777 -3.002 -4.605 1.00 0.00 H new ATOM 0 HA ALA A 77 12.288 -1.900 -5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.428 -1.603 -7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.019 -3.202 -6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.780 -1.926 -6.795 1.00 0.00 H new ATOM 1147 N LYS A 78 9.936 0.351 -4.816 1.00 0.00 N ATOM 1148 CA LYS A 78 9.768 1.782 -4.710 1.00 0.00 C ATOM 1149 C LYS A 78 10.221 2.242 -3.321 1.00 0.00 C ATOM 1150 O LYS A 78 11.009 3.181 -3.175 1.00 0.00 O ATOM 1151 CB LYS A 78 8.310 2.210 -4.929 1.00 0.00 C ATOM 1152 CG LYS A 78 8.209 3.605 -5.528 1.00 0.00 C ATOM 1153 CD LYS A 78 6.916 4.317 -5.196 1.00 0.00 C ATOM 1154 CE LYS A 78 6.884 5.676 -5.886 1.00 0.00 C ATOM 1155 NZ LYS A 78 5.761 6.516 -5.439 1.00 0.00 N ATOM 0 H LYS A 78 9.105 -0.205 -4.615 1.00 0.00 H new ATOM 0 HA LYS A 78 10.374 2.246 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.818 1.496 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.778 2.184 -3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.046 4.205 -5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.306 3.534 -6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.066 3.715 -5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.827 4.444 -4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.821 6.198 -5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.816 5.530 -6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.788 7.427 -5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.863 6.034 -5.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.837 6.682 -4.415 1.00 0.00 H new ATOM 1169 N LEU A 79 9.746 1.524 -2.314 1.00 0.00 N ATOM 1170 CA LEU A 79 9.962 1.841 -0.904 1.00 0.00 C ATOM 1171 C LEU A 79 11.453 1.860 -0.533 1.00 0.00 C ATOM 1172 O LEU A 79 11.895 2.707 0.255 1.00 0.00 O ATOM 1173 CB LEU A 79 9.204 0.817 -0.047 1.00 0.00 C ATOM 1174 CG LEU A 79 9.240 0.995 1.467 1.00 0.00 C ATOM 1175 CD1 LEU A 79 8.599 2.310 1.878 1.00 0.00 C ATOM 1176 CD2 LEU A 79 8.541 -0.171 2.138 1.00 0.00 C ATOM 0 H LEU A 79 9.186 0.684 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 79 9.583 2.845 -0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.160 0.824 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.600 -0.172 -0.278 1.00 0.00 H new ATOM 0 HG LEU A 79 10.281 1.018 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.639 2.411 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.138 3.137 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.560 2.326 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.570 -0.039 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.504 -0.214 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.046 -1.100 1.873 1.00 0.00 H new ATOM 1188 N VAL A 80 12.219 0.968 -1.135 1.00 0.00 N ATOM 1189 CA VAL A 80 13.647 0.833 -0.856 1.00 0.00 C ATOM 1190 C VAL A 80 14.410 2.120 -1.232 1.00 0.00 C ATOM 1191 O VAL A 80 15.374 2.521 -0.548 1.00 0.00 O ATOM 1192 CB VAL A 80 14.239 -0.423 -1.586 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.296 -0.270 -3.098 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.573 -0.836 -1.014 1.00 0.00 C ATOM 0 H VAL A 80 11.872 0.312 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 80 13.772 0.683 0.216 1.00 0.00 H new ATOM 0 HB VAL A 80 13.536 -1.233 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.715 -1.174 -3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.290 -0.110 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.924 0.584 -3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.944 -1.709 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.284 -0.016 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.456 -1.081 0.042 1.00 0.00 H new ATOM 1204 N LYS A 81 13.932 2.797 -2.270 1.00 0.00 N ATOM 1205 CA LYS A 81 14.549 4.019 -2.742 1.00 0.00 C ATOM 1206 C LYS A 81 14.102 5.203 -1.893 1.00 0.00 C ATOM 1207 O LYS A 81 14.886 6.104 -1.622 1.00 0.00 O ATOM 1208 CB LYS A 81 14.235 4.253 -4.220 1.00 0.00 C ATOM 1209 CG LYS A 81 14.668 3.104 -5.120 1.00 0.00 C ATOM 1210 CD LYS A 81 14.394 3.397 -6.584 1.00 0.00 C ATOM 1211 CE LYS A 81 14.729 2.202 -7.469 1.00 0.00 C ATOM 1212 NZ LYS A 81 16.150 1.805 -7.382 1.00 0.00 N ATOM 0 H LYS A 81 13.110 2.511 -2.802 1.00 0.00 H new ATOM 0 HA LYS A 81 15.630 3.918 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.163 4.411 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.729 5.168 -4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.732 2.915 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.142 2.195 -4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.345 3.662 -6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.981 4.259 -6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.102 1.357 -7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.487 2.443 -8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.374 1.144 -8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.752 2.649 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.326 1.342 -6.467 1.00 0.00 H new ATOM 1226 N ILE A 82 12.851 5.168 -1.438 1.00 0.00 N ATOM 1227 CA ILE A 82 12.290 6.239 -0.599 1.00 0.00 C ATOM 1228 C ILE A 82 12.993 6.252 0.764 1.00 0.00 C ATOM 1229 O ILE A 82 13.312 7.313 1.314 1.00 0.00 O ATOM 1230 CB ILE A 82 10.764 6.045 -0.366 1.00 0.00 C ATOM 1231 CG1 ILE A 82 10.010 5.933 -1.697 1.00 0.00 C ATOM 1232 CG2 ILE A 82 10.192 7.195 0.468 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.529 5.665 -1.533 1.00 0.00 C ATOM 0 H ILE A 82 12.200 4.408 -1.634 1.00 0.00 H new ATOM 0 HA ILE A 82 12.448 7.182 -1.122 1.00 0.00 H new ATOM 0 HB ILE A 82 10.630 5.113 0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 82 10.144 6.857 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.452 5.132 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.124 7.039 0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.694 7.228 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.351 8.138 -0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.060 5.598 -2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.386 4.726 -0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.073 6.478 -0.968 1.00 0.00 H new ATOM 1245 N ALA A 83 13.235 5.064 1.301 1.00 0.00 N ATOM 1246 CA ALA A 83 13.924 4.936 2.575 1.00 0.00 C ATOM 1247 C ALA A 83 15.407 5.216 2.407 1.00 0.00 C ATOM 1248 O ALA A 83 16.107 5.523 3.374 1.00 0.00 O ATOM 1249 CB ALA A 83 13.708 3.556 3.166 1.00 0.00 C ATOM 0 H ALA A 83 12.965 4.178 0.874 1.00 0.00 H new ATOM 0 HA ALA A 83 13.508 5.671 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.232 3.482 4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.642 3.391 3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.094 2.802 2.480 1.00 0.00 H new ATOM 1255 N GLY A 84 15.876 5.105 1.174 1.00 0.00 N ATOM 1256 CA GLY A 84 17.254 5.384 0.862 1.00 0.00 C ATOM 1257 C GLY A 84 18.183 4.364 1.447 1.00 0.00 C ATOM 1258 O GLY A 84 19.303 4.684 1.853 1.00 0.00 O ATOM 0 H GLY A 84 15.312 4.821 0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.382 5.411 -0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.518 6.372 1.239 1.00 0.00 H new ATOM 1262 N LEU A 85 17.738 3.130 1.488 1.00 0.00 N ATOM 1263 CA LEU A 85 18.550 2.069 2.048 1.00 0.00 C ATOM 1264 C LEU A 85 19.455 1.484 0.974 1.00 0.00 C ATOM 1265 O LEU A 85 20.324 0.659 1.248 1.00 0.00 O ATOM 1266 CB LEU A 85 17.683 1.003 2.709 1.00 0.00 C ATOM 1267 CG LEU A 85 16.776 1.491 3.841 1.00 0.00 C ATOM 1268 CD1 LEU A 85 15.903 0.364 4.351 1.00 0.00 C ATOM 1269 CD2 LEU A 85 17.601 2.075 4.975 1.00 0.00 C ATOM 0 H LEU A 85 16.825 2.835 1.143 1.00 0.00 H new ATOM 0 HA LEU A 85 19.184 2.486 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.060 0.542 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 85 18.335 0.223 3.102 1.00 0.00 H new ATOM 0 HG LEU A 85 16.131 2.275 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.266 0.732 5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.281 -0.011 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 85 16.533 -0.442 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 85 16.937 2.416 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 85 18.273 1.312 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 85 18.185 2.917 4.604 1.00 0.00 H new ATOM 1281 N GLU A 86 19.241 1.932 -0.233 1.00 0.00 N ATOM 1282 CA GLU A 86 20.073 1.604 -1.348 1.00 0.00 C ATOM 1283 C GLU A 86 20.483 2.918 -1.987 1.00 0.00 C ATOM 1284 O GLU A 86 19.971 3.975 -1.579 1.00 0.00 O ATOM 1285 CB GLU A 86 19.351 0.700 -2.359 1.00 0.00 C ATOM 1286 CG GLU A 86 18.090 1.286 -2.978 1.00 0.00 C ATOM 1287 CD GLU A 86 17.583 0.445 -4.129 1.00 0.00 C ATOM 1288 OE1 GLU A 86 17.498 -0.789 -4.007 1.00 0.00 O ATOM 1289 OE2 GLU A 86 17.271 0.999 -5.186 1.00 0.00 O ATOM 0 H GLU A 86 18.464 2.549 -0.469 1.00 0.00 H new ATOM 0 HA GLU A 86 20.944 1.039 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 86 20.047 0.452 -3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.091 -0.235 -1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.314 1.364 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.294 2.297 -3.330 1.00 0.00 H new ATOM 1296 N HIS A 87 21.384 2.885 -2.950 1.00 0.00 N ATOM 1297 CA HIS A 87 21.813 4.112 -3.610 1.00 0.00 C ATOM 1298 C HIS A 87 20.718 4.604 -4.537 1.00 0.00 C ATOM 1299 O HIS A 87 20.066 5.616 -4.250 1.00 0.00 O ATOM 1300 CB HIS A 87 23.143 3.929 -4.376 1.00 0.00 C ATOM 1301 CG HIS A 87 24.312 3.569 -3.504 1.00 0.00 C ATOM 1302 ND1 HIS A 87 25.153 2.505 -3.742 1.00 0.00 N ATOM 1303 CD2 HIS A 87 24.782 4.171 -2.385 1.00 0.00 C ATOM 1304 CE1 HIS A 87 26.083 2.486 -2.790 1.00 0.00 C ATOM 1305 NE2 HIS A 87 25.904 3.482 -1.930 1.00 0.00 N ATOM 0 H HIS A 87 21.831 2.035 -3.293 1.00 0.00 H new ATOM 0 HA HIS A 87 21.997 4.861 -2.840 1.00 0.00 H new ATOM 0 HB2 HIS A 87 23.012 3.151 -5.128 1.00 0.00 H new ATOM 0 HB3 HIS A 87 23.372 4.852 -4.909 1.00 0.00 H new ATOM 0 HD2 HIS A 87 24.354 5.047 -1.919 1.00 0.00 H new ATOM 0 HE1 HIS A 87 26.878 1.757 -2.725 1.00 0.00 H new ATOM 0 HE2 HIS A 87 26.469 3.697 -1.109 1.00 0.00 H new ATOM 1313 N HIS A 88 20.504 3.866 -5.618 1.00 0.00 N ATOM 1314 CA HIS A 88 19.477 4.143 -6.606 1.00 0.00 C ATOM 1315 C HIS A 88 19.628 3.144 -7.728 1.00 0.00 C ATOM 1316 O HIS A 88 18.717 2.339 -7.934 1.00 0.00 O ATOM 1317 CB HIS A 88 19.539 5.580 -7.164 1.00 0.00 C ATOM 1318 CG HIS A 88 18.352 5.933 -8.006 1.00 0.00 C ATOM 1319 ND1 HIS A 88 18.411 6.241 -9.340 1.00 0.00 N ATOM 1320 CD2 HIS A 88 17.051 6.015 -7.661 1.00 0.00 C ATOM 1321 CE1 HIS A 88 17.173 6.491 -9.763 1.00 0.00 C ATOM 1322 NE2 HIS A 88 16.301 6.367 -8.772 1.00 0.00 N ATOM 0 H HIS A 88 21.056 3.036 -5.835 1.00 0.00 H new ATOM 0 HA HIS A 88 18.506 4.052 -6.120 1.00 0.00 H new ATOM 0 HB2 HIS A 88 19.611 6.283 -6.334 1.00 0.00 H new ATOM 0 HB3 HIS A 88 20.446 5.694 -7.758 1.00 0.00 H new ATOM 0 HD2 HIS A 88 16.655 5.834 -6.673 1.00 0.00 H new ATOM 0 HE1 HIS A 88 16.914 6.759 -10.777 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.291 6.502 -8.818 1.00 0.00 H new TER 1330 HIS A 88