USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 819 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 64 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 70 SER OG : rot 180:sc= -0.6 USER MOD Set 2.1: A 4 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 84 ASN : amide:sc= -1.55 K(o=-1.6,f=-12!) USER MOD Single : A 1 VAL N :NH3+ -114:sc= -1.88 (180deg=-2.65!) USER MOD Single : A 2 SER OG : rot 55:sc= 0.261 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -2.66 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -158:sc= -0.478 (180deg=-1.79!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 74:sc= 0.381 USER MOD Single : A 22 ASN : amide:sc= -0.0143 X(o=-0.014,f=-0.11) USER MOD Single : A 25 HIS : no HD1:sc= -2.82 X(o=-2.8,f=-2.8!) USER MOD Single : A 28 MET CE :methyl -163:sc= -4.83! (180deg=-5.46!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.79 K(o=-1.8,f=-6.3!) USER MOD Single : A 54 SER OG : rot -104:sc= -1.18 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 101:sc= 0.629 USER MOD Single : A 62 LYS NZ :NH3+ -143:sc= 0.31 (180deg=0.0239) USER MOD Single : A 67 ASN : amide:sc= -0.683 K(o=-0.68,f=-2.9!) USER MOD Single : A 69 ASN : amide:sc= -0.595 K(o=-0.6,f=-2.7!) USER MOD Single : A 78 SER OG : rot 180:sc= 0.00285 USER MOD Single : A 86 ASN : amide:sc= -4.72 K(o=-4.7,f=-12!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 88:sc= -0.444 USER MOD Single : A 92 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.12) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 106 ASN : amide:sc= -0.0392 K(o=-0.039,f=-2.8!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -1.33 X(o=-1.3,f=-0.93) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.6!) USER MOD Single : A 117 ASN : amide:sc= -0.4 K(o=-0.4,f=-1.8!) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 91.308 -3.277 14.073 1.00 0.00 N ATOM 2 CA VAL A 1 91.042 -3.691 12.662 1.00 0.00 C ATOM 3 C VAL A 1 92.242 -4.416 12.043 1.00 0.00 C ATOM 4 O VAL A 1 93.384 -4.156 12.381 1.00 0.00 O ATOM 5 CB VAL A 1 90.779 -2.382 11.911 1.00 0.00 C ATOM 6 CG1 VAL A 1 89.530 -1.711 12.483 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.977 -1.443 12.061 1.00 0.00 C ATOM 0 H1 VAL A 1 90.682 -3.805 14.714 1.00 0.00 H new ATOM 0 H2 VAL A 1 92.299 -3.480 14.313 1.00 0.00 H new ATOM 0 H3 VAL A 1 91.128 -2.258 14.175 1.00 0.00 H new ATOM 0 HA VAL A 1 90.206 -4.388 12.609 1.00 0.00 H new ATOM 0 HB VAL A 1 90.627 -2.600 10.854 1.00 0.00 H new ATOM 0 HG11 VAL A 1 89.341 -0.779 11.950 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.674 -2.376 12.366 1.00 0.00 H new ATOM 0 HG13 VAL A 1 89.683 -1.499 13.541 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.781 -0.515 11.524 1.00 0.00 H new ATOM 0 HG22 VAL A 1 92.138 -1.224 13.117 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.867 -1.920 11.649 1.00 0.00 H new ATOM 17 N SER A 2 91.980 -5.321 11.135 1.00 0.00 N ATOM 18 CA SER A 2 93.081 -6.075 10.462 1.00 0.00 C ATOM 19 C SER A 2 93.172 -5.675 8.985 1.00 0.00 C ATOM 20 O SER A 2 92.177 -5.477 8.315 1.00 0.00 O ATOM 21 CB SER A 2 92.704 -7.547 10.599 1.00 0.00 C ATOM 22 OG SER A 2 93.017 -7.992 11.912 1.00 0.00 O ATOM 0 H SER A 2 91.040 -5.572 10.828 1.00 0.00 H new ATOM 0 HA SER A 2 94.053 -5.865 10.907 1.00 0.00 H new ATOM 0 HB2 SER A 2 91.641 -7.682 10.401 1.00 0.00 H new ATOM 0 HB3 SER A 2 93.244 -8.142 9.863 1.00 0.00 H new ATOM 0 HG SER A 2 92.578 -7.411 12.568 1.00 0.00 H new ATOM 28 N ILE A 3 94.371 -5.557 8.485 1.00 0.00 N ATOM 29 CA ILE A 3 94.582 -5.174 7.056 1.00 0.00 C ATOM 30 C ILE A 3 95.174 -6.343 6.271 1.00 0.00 C ATOM 31 O ILE A 3 95.934 -7.127 6.797 1.00 0.00 O ATOM 32 CB ILE A 3 95.580 -4.008 7.094 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.886 -4.444 7.770 1.00 0.00 C ATOM 34 CG2 ILE A 3 94.973 -2.840 7.871 1.00 0.00 C ATOM 35 CD1 ILE A 3 97.973 -3.409 7.483 1.00 0.00 C ATOM 0 H ILE A 3 95.229 -5.712 9.014 1.00 0.00 H new ATOM 0 HA ILE A 3 93.646 -4.900 6.568 1.00 0.00 H new ATOM 0 HB ILE A 3 95.797 -3.699 6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.737 -4.543 8.845 1.00 0.00 H new ATOM 0 HG13 ILE A 3 97.192 -5.422 7.399 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.682 -2.013 7.897 1.00 0.00 H new ATOM 0 HG22 ILE A 3 94.055 -2.515 7.381 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.748 -3.158 8.889 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.903 -3.716 7.962 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.127 -3.332 6.407 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.665 -2.440 7.875 1.00 0.00 H new ATOM 47 N SER A 4 94.837 -6.457 5.014 1.00 0.00 N ATOM 48 CA SER A 4 95.382 -7.560 4.174 1.00 0.00 C ATOM 49 C SER A 4 95.567 -7.039 2.750 1.00 0.00 C ATOM 50 O SER A 4 95.380 -5.864 2.493 1.00 0.00 O ATOM 51 CB SER A 4 94.319 -8.658 4.204 1.00 0.00 C ATOM 52 OG SER A 4 93.029 -8.069 4.091 1.00 0.00 O ATOM 0 H SER A 4 94.200 -5.825 4.529 1.00 0.00 H new ATOM 0 HA SER A 4 96.343 -7.931 4.530 1.00 0.00 H new ATOM 0 HB2 SER A 4 94.483 -9.361 3.387 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.392 -9.225 5.132 1.00 0.00 H new ATOM 0 HG SER A 4 92.346 -8.772 4.108 1.00 0.00 H new ATOM 58 N TYR A 5 95.910 -7.891 1.823 1.00 0.00 N ATOM 59 CA TYR A 5 96.074 -7.418 0.416 1.00 0.00 C ATOM 60 C TYR A 5 95.564 -8.473 -0.572 1.00 0.00 C ATOM 61 O TYR A 5 95.643 -9.661 -0.315 1.00 0.00 O ATOM 62 CB TYR A 5 97.579 -7.175 0.245 1.00 0.00 C ATOM 63 CG TYR A 5 98.347 -8.454 0.484 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.768 -8.784 1.777 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.645 -9.304 -0.587 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.485 -9.963 2.001 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.363 -10.486 -0.363 1.00 0.00 C ATOM 68 CZ TYR A 5 99.782 -10.815 0.931 1.00 0.00 C ATOM 69 OH TYR A 5 100.491 -11.979 1.152 1.00 0.00 O ATOM 0 H TYR A 5 96.083 -8.885 1.975 1.00 0.00 H new ATOM 0 HA TYR A 5 95.499 -6.514 0.217 1.00 0.00 H new ATOM 0 HB2 TYR A 5 97.782 -6.803 -0.759 1.00 0.00 H new ATOM 0 HB3 TYR A 5 97.912 -6.407 0.943 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.539 -8.127 2.603 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.322 -9.049 -1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.810 -10.216 2.999 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.593 -11.143 -1.189 1.00 0.00 H new ATOM 0 HH TYR A 5 100.611 -12.455 0.304 1.00 0.00 H new ATOM 79 N ASP A 6 95.055 -8.049 -1.707 1.00 0.00 N ATOM 80 CA ASP A 6 94.555 -9.031 -2.718 1.00 0.00 C ATOM 81 C ASP A 6 95.251 -8.781 -4.070 1.00 0.00 C ATOM 82 O ASP A 6 95.641 -7.667 -4.355 1.00 0.00 O ATOM 83 CB ASP A 6 93.044 -8.783 -2.823 1.00 0.00 C ATOM 84 CG ASP A 6 92.278 -9.968 -2.225 1.00 0.00 C ATOM 85 OD1 ASP A 6 92.777 -11.078 -2.312 1.00 0.00 O ATOM 86 OD2 ASP A 6 91.202 -9.745 -1.694 1.00 0.00 O1- ATOM 0 H ASP A 6 94.966 -7.069 -1.974 1.00 0.00 H new ATOM 0 HA ASP A 6 94.764 -10.062 -2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.780 -7.865 -2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.761 -8.645 -3.867 1.00 0.00 H new ATOM 91 N PRO A 7 95.414 -9.827 -4.854 1.00 0.00 N ATOM 92 CA PRO A 7 96.104 -9.691 -6.159 1.00 0.00 C ATOM 93 C PRO A 7 95.164 -9.229 -7.287 1.00 0.00 C ATOM 94 O PRO A 7 95.617 -8.948 -8.382 1.00 0.00 O ATOM 95 CB PRO A 7 96.600 -11.106 -6.437 1.00 0.00 C ATOM 96 CG PRO A 7 95.680 -12.019 -5.679 1.00 0.00 C ATOM 97 CD PRO A 7 94.987 -11.212 -4.608 1.00 0.00 C ATOM 0 HA PRO A 7 96.891 -8.937 -6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 7 96.577 -11.326 -7.504 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.632 -11.230 -6.108 1.00 0.00 H new ATOM 0 HG2 PRO A 7 94.948 -12.464 -6.352 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.242 -12.839 -5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 7 93.904 -11.311 -4.676 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.276 -11.545 -3.611 1.00 0.00 H new ATOM 105 N ILE A 8 93.875 -9.155 -7.052 1.00 0.00 N ATOM 106 CA ILE A 8 92.947 -8.719 -8.151 1.00 0.00 C ATOM 107 C ILE A 8 93.131 -7.230 -8.471 1.00 0.00 C ATOM 108 O ILE A 8 93.078 -6.837 -9.622 1.00 0.00 O ATOM 109 CB ILE A 8 91.516 -9.028 -7.674 1.00 0.00 C ATOM 110 CG1 ILE A 8 91.148 -8.162 -6.464 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.405 -10.508 -7.294 1.00 0.00 C ATOM 112 CD1 ILE A 8 89.667 -8.352 -6.139 1.00 0.00 C ATOM 0 H ILE A 8 93.428 -9.373 -6.162 1.00 0.00 H new ATOM 0 HA ILE A 8 93.161 -9.253 -9.077 1.00 0.00 H new ATOM 0 HB ILE A 8 90.826 -8.804 -8.488 1.00 0.00 H new ATOM 0 HG12 ILE A 8 91.759 -8.439 -5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 8 91.354 -7.113 -6.677 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.391 -10.722 -6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 8 91.637 -11.125 -8.162 1.00 0.00 H new ATOM 0 HG23 ILE A 8 92.108 -10.731 -6.492 1.00 0.00 H new ATOM 0 HD11 ILE A 8 89.402 -7.738 -5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 8 89.065 -8.054 -6.997 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.477 -9.400 -5.909 1.00 0.00 H new ATOM 124 N TYR A 9 93.313 -6.402 -7.476 1.00 0.00 N ATOM 125 CA TYR A 9 93.464 -4.939 -7.747 1.00 0.00 C ATOM 126 C TYR A 9 94.818 -4.617 -8.391 1.00 0.00 C ATOM 127 O TYR A 9 95.652 -3.921 -7.850 1.00 0.00 O ATOM 128 CB TYR A 9 93.260 -4.226 -6.415 1.00 0.00 C ATOM 129 CG TYR A 9 91.828 -4.408 -5.972 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.781 -4.030 -6.822 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.545 -4.952 -4.714 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.454 -4.198 -6.416 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.214 -5.117 -4.308 1.00 0.00 C ATOM 134 CZ TYR A 9 89.173 -4.741 -5.159 1.00 0.00 C ATOM 135 OH TYR A 9 87.869 -4.910 -4.755 1.00 0.00 O ATOM 0 H TYR A 9 93.364 -6.671 -6.494 1.00 0.00 H new ATOM 0 HA TYR A 9 92.725 -4.596 -8.471 1.00 0.00 H new ATOM 0 HB2 TYR A 9 93.940 -4.629 -5.665 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.490 -3.165 -6.517 1.00 0.00 H new ATOM 0 HD1 TYR A 9 90.999 -3.608 -7.792 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.351 -5.244 -4.057 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.647 -3.909 -7.073 1.00 0.00 H new ATOM 0 HE2 TYR A 9 89.993 -5.535 -3.337 1.00 0.00 H new ATOM 0 HH TYR A 9 87.853 -5.300 -3.856 1.00 0.00 H new ATOM 145 N ALA A 10 94.973 -5.095 -9.600 1.00 0.00 N ATOM 146 CA ALA A 10 96.189 -4.828 -10.418 1.00 0.00 C ATOM 147 C ALA A 10 95.814 -3.834 -11.517 1.00 0.00 C ATOM 148 O ALA A 10 94.669 -3.444 -11.652 1.00 0.00 O ATOM 149 CB ALA A 10 96.627 -6.175 -10.994 1.00 0.00 C ATOM 0 H ALA A 10 94.280 -5.680 -10.067 1.00 0.00 H new ATOM 0 HA ALA A 10 97.007 -4.396 -9.841 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.519 -6.037 -11.605 1.00 0.00 H new ATOM 0 HB2 ALA A 10 96.849 -6.864 -10.179 1.00 0.00 H new ATOM 0 HB3 ALA A 10 95.826 -6.586 -11.609 1.00 0.00 H new ATOM 155 N ALA A 11 96.791 -3.359 -12.240 1.00 0.00 N ATOM 156 CA ALA A 11 96.534 -2.309 -13.270 1.00 0.00 C ATOM 157 C ALA A 11 95.551 -2.739 -14.363 1.00 0.00 C ATOM 158 O ALA A 11 94.848 -1.897 -14.895 1.00 0.00 O ATOM 159 CB ALA A 11 97.899 -1.988 -13.881 1.00 0.00 C ATOM 0 H ALA A 11 97.764 -3.655 -12.162 1.00 0.00 H new ATOM 0 HA ALA A 11 96.063 -1.447 -12.798 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.783 -1.222 -14.648 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.570 -1.624 -13.103 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.318 -2.889 -14.329 1.00 0.00 H new ATOM 165 N ASP A 12 95.507 -3.993 -14.759 1.00 0.00 N ATOM 166 CA ASP A 12 94.572 -4.348 -15.878 1.00 0.00 C ATOM 167 C ASP A 12 93.181 -4.755 -15.372 1.00 0.00 C ATOM 168 O ASP A 12 92.372 -5.263 -16.127 1.00 0.00 O ATOM 169 CB ASP A 12 95.250 -5.488 -16.634 1.00 0.00 C ATOM 170 CG ASP A 12 96.479 -4.958 -17.382 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.478 -3.791 -17.741 1.00 0.00 O ATOM 172 OD2 ASP A 12 97.403 -5.731 -17.580 1.00 0.00 O1- ATOM 0 H ASP A 12 96.056 -4.760 -14.372 1.00 0.00 H new ATOM 0 HA ASP A 12 94.393 -3.487 -16.522 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.547 -6.272 -15.938 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.550 -5.936 -17.339 1.00 0.00 H new ATOM 177 N LEU A 13 92.892 -4.538 -14.116 1.00 0.00 N ATOM 178 CA LEU A 13 91.549 -4.913 -13.572 1.00 0.00 C ATOM 179 C LEU A 13 90.486 -3.946 -14.094 1.00 0.00 C ATOM 180 O LEU A 13 90.594 -2.745 -13.925 1.00 0.00 O ATOM 181 CB LEU A 13 91.678 -4.780 -12.051 1.00 0.00 C ATOM 182 CG LEU A 13 90.404 -5.296 -11.375 1.00 0.00 C ATOM 183 CD1 LEU A 13 90.323 -6.820 -11.505 1.00 0.00 C ATOM 184 CD2 LEU A 13 90.427 -4.918 -9.894 1.00 0.00 C ATOM 0 H LEU A 13 93.529 -4.116 -13.440 1.00 0.00 H new ATOM 0 HA LEU A 13 91.252 -5.918 -13.870 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.541 -5.345 -11.699 1.00 0.00 H new ATOM 0 HB3 LEU A 13 91.847 -3.738 -11.781 1.00 0.00 H new ATOM 0 HG LEU A 13 89.536 -4.847 -11.859 1.00 0.00 H new ATOM 0 HD11 LEU A 13 89.414 -7.179 -11.022 1.00 0.00 H new ATOM 0 HD12 LEU A 13 90.306 -7.095 -12.560 1.00 0.00 H new ATOM 0 HD13 LEU A 13 91.191 -7.273 -11.026 1.00 0.00 H new ATOM 0 HD21 LEU A 13 89.521 -5.284 -9.411 1.00 0.00 H new ATOM 0 HD22 LEU A 13 91.299 -5.366 -9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 13 90.477 -3.834 -9.796 1.00 0.00 H new ATOM 196 N SER A 14 89.467 -4.462 -14.729 1.00 0.00 N ATOM 197 CA SER A 14 88.397 -3.571 -15.268 1.00 0.00 C ATOM 198 C SER A 14 87.595 -2.961 -14.118 1.00 0.00 C ATOM 199 O SER A 14 87.256 -3.622 -13.156 1.00 0.00 O ATOM 200 CB SER A 14 87.520 -4.453 -16.152 1.00 0.00 C ATOM 201 OG SER A 14 86.464 -3.671 -16.695 1.00 0.00 O ATOM 0 H SER A 14 89.329 -5.458 -14.898 1.00 0.00 H new ATOM 0 HA SER A 14 88.807 -2.739 -15.840 1.00 0.00 H new ATOM 0 HB2 SER A 14 88.115 -4.889 -16.955 1.00 0.00 H new ATOM 0 HB3 SER A 14 87.113 -5.281 -15.571 1.00 0.00 H new ATOM 0 HG SER A 14 85.900 -4.234 -17.265 1.00 0.00 H new ATOM 207 N MET A 15 87.316 -1.689 -14.213 1.00 0.00 N ATOM 208 CA MET A 15 86.559 -0.986 -13.130 1.00 0.00 C ATOM 209 C MET A 15 85.092 -1.435 -13.079 1.00 0.00 C ATOM 210 O MET A 15 84.407 -1.188 -12.104 1.00 0.00 O ATOM 211 CB MET A 15 86.652 0.504 -13.469 1.00 0.00 C ATOM 212 CG MET A 15 88.112 0.968 -13.389 1.00 0.00 C ATOM 213 SD MET A 15 88.714 0.831 -11.684 1.00 0.00 S ATOM 214 CE MET A 15 87.543 1.987 -10.931 1.00 0.00 C ATOM 0 H MET A 15 87.582 -1.099 -15.001 1.00 0.00 H new ATOM 0 HA MET A 15 86.977 -1.213 -12.149 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.259 0.683 -14.470 1.00 0.00 H new ATOM 0 HB3 MET A 15 86.039 1.082 -12.777 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.731 0.363 -14.052 1.00 0.00 H new ATOM 0 HG3 MET A 15 88.193 2.000 -13.730 1.00 0.00 H new ATOM 0 HE1 MET A 15 87.951 2.358 -9.991 1.00 0.00 H new ATOM 0 HE2 MET A 15 87.372 2.824 -11.608 1.00 0.00 H new ATOM 0 HE3 MET A 15 86.599 1.476 -10.740 1.00 0.00 H new ATOM 224 N GLY A 16 84.593 -2.077 -14.106 1.00 0.00 N ATOM 225 CA GLY A 16 83.165 -2.521 -14.094 1.00 0.00 C ATOM 226 C GLY A 16 82.961 -3.659 -13.088 1.00 0.00 C ATOM 227 O GLY A 16 81.840 -4.030 -12.790 1.00 0.00 O ATOM 0 H GLY A 16 85.112 -2.313 -14.952 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.520 -1.681 -13.836 1.00 0.00 H new ATOM 0 HA3 GLY A 16 82.874 -2.853 -15.090 1.00 0.00 H new ATOM 231 N SER A 17 84.022 -4.224 -12.573 1.00 0.00 N ATOM 232 CA SER A 17 83.888 -5.344 -11.600 1.00 0.00 C ATOM 233 C SER A 17 83.892 -4.840 -10.150 1.00 0.00 C ATOM 234 O SER A 17 83.589 -5.589 -9.239 1.00 0.00 O ATOM 235 CB SER A 17 85.108 -6.224 -11.852 1.00 0.00 C ATOM 236 OG SER A 17 85.075 -6.703 -13.190 1.00 0.00 O ATOM 0 H SER A 17 84.982 -3.954 -12.788 1.00 0.00 H new ATOM 0 HA SER A 17 82.946 -5.875 -11.733 1.00 0.00 H new ATOM 0 HB2 SER A 17 86.022 -5.656 -11.680 1.00 0.00 H new ATOM 0 HB3 SER A 17 85.117 -7.061 -11.154 1.00 0.00 H new ATOM 0 HG SER A 17 85.859 -7.267 -13.355 1.00 0.00 H new ATOM 242 N VAL A 18 84.242 -3.596 -9.919 1.00 0.00 N ATOM 243 CA VAL A 18 84.272 -3.085 -8.515 1.00 0.00 C ATOM 244 C VAL A 18 82.930 -2.439 -8.151 1.00 0.00 C ATOM 245 O VAL A 18 82.106 -2.170 -9.005 1.00 0.00 O ATOM 246 CB VAL A 18 85.424 -2.068 -8.467 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.188 -0.953 -9.492 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.509 -1.455 -7.073 1.00 0.00 C ATOM 0 H VAL A 18 84.505 -2.920 -10.636 1.00 0.00 H new ATOM 0 HA VAL A 18 84.430 -3.884 -7.791 1.00 0.00 H new ATOM 0 HB VAL A 18 86.356 -2.582 -8.702 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.010 -0.239 -9.449 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.134 -1.384 -10.492 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.252 -0.443 -9.265 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.326 -0.735 -7.042 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.571 -0.951 -6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 18 85.690 -2.241 -6.340 1.00 0.00 H new ATOM 258 N ALA A 19 82.706 -2.204 -6.881 1.00 0.00 N ATOM 259 CA ALA A 19 81.415 -1.588 -6.435 1.00 0.00 C ATOM 260 C ALA A 19 81.213 -0.234 -7.122 1.00 0.00 C ATOM 261 O ALA A 19 80.152 0.054 -7.632 1.00 0.00 O ATOM 262 CB ALA A 19 81.552 -1.412 -4.916 1.00 0.00 C ATOM 0 H ALA A 19 83.364 -2.413 -6.130 1.00 0.00 H new ATOM 0 HA ALA A 19 80.554 -2.206 -6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.641 -0.965 -4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.712 -2.384 -4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.400 -0.762 -4.700 1.00 0.00 H new ATOM 268 N CYS A 20 82.233 0.580 -7.165 1.00 0.00 N ATOM 269 CA CYS A 20 82.120 1.903 -7.852 1.00 0.00 C ATOM 270 C CYS A 20 82.278 1.672 -9.362 1.00 0.00 C ATOM 271 O CYS A 20 83.350 1.838 -9.913 1.00 0.00 O ATOM 272 CB CYS A 20 83.289 2.741 -7.295 1.00 0.00 C ATOM 273 SG CYS A 20 82.652 4.240 -6.492 1.00 0.00 S ATOM 0 H CYS A 20 83.145 0.386 -6.752 1.00 0.00 H new ATOM 0 HA CYS A 20 81.166 2.404 -7.686 1.00 0.00 H new ATOM 0 HB2 CYS A 20 83.862 2.151 -6.580 1.00 0.00 H new ATOM 0 HB3 CYS A 20 83.970 3.012 -8.102 1.00 0.00 H new ATOM 278 N SER A 21 81.225 1.241 -10.023 1.00 0.00 N ATOM 279 CA SER A 21 81.328 0.943 -11.487 1.00 0.00 C ATOM 280 C SER A 21 80.916 2.129 -12.368 1.00 0.00 C ATOM 281 O SER A 21 81.763 2.826 -12.897 1.00 0.00 O ATOM 282 CB SER A 21 80.401 -0.251 -11.714 1.00 0.00 C ATOM 283 OG SER A 21 81.177 -1.440 -11.771 1.00 0.00 O ATOM 0 H SER A 21 80.305 1.084 -9.612 1.00 0.00 H new ATOM 0 HA SER A 21 82.361 0.734 -11.766 1.00 0.00 H new ATOM 0 HB2 SER A 21 79.670 -0.318 -10.908 1.00 0.00 H new ATOM 0 HB3 SER A 21 79.842 -0.122 -12.641 1.00 0.00 H new ATOM 0 HG SER A 21 81.480 -1.676 -10.870 1.00 0.00 H new ATOM 289 N ASN A 22 79.634 2.348 -12.563 1.00 0.00 N ATOM 290 CA ASN A 22 79.208 3.476 -13.451 1.00 0.00 C ATOM 291 C ASN A 22 77.991 4.232 -12.912 1.00 0.00 C ATOM 292 O ASN A 22 77.426 5.064 -13.598 1.00 0.00 O ATOM 293 CB ASN A 22 78.857 2.809 -14.777 1.00 0.00 C ATOM 294 CG ASN A 22 79.030 3.815 -15.916 1.00 0.00 C ATOM 295 OD1 ASN A 22 80.080 4.409 -16.061 1.00 0.00 O ATOM 296 ND2 ASN A 22 78.038 4.033 -16.733 1.00 0.00 N ATOM 0 H ASN A 22 78.876 1.803 -12.152 1.00 0.00 H new ATOM 0 HA ASN A 22 80.000 4.221 -13.532 1.00 0.00 H new ATOM 0 HB2 ASN A 22 79.498 1.943 -14.942 1.00 0.00 H new ATOM 0 HB3 ASN A 22 77.830 2.445 -14.752 1.00 0.00 H new ATOM 0 HD21 ASN A 22 78.143 4.703 -17.495 1.00 0.00 H new ATOM 0 HD22 ASN A 22 77.157 3.534 -16.610 1.00 0.00 H new ATOM 303 N GLY A 23 77.583 3.964 -11.703 1.00 0.00 N ATOM 304 CA GLY A 23 76.404 4.685 -11.137 1.00 0.00 C ATOM 305 C GLY A 23 76.797 6.135 -10.870 1.00 0.00 C ATOM 306 O GLY A 23 77.575 6.719 -11.601 1.00 0.00 O ATOM 0 H GLY A 23 78.013 3.279 -11.082 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.566 4.643 -11.833 1.00 0.00 H new ATOM 0 HA3 GLY A 23 76.076 4.207 -10.214 1.00 0.00 H new ATOM 310 N ASP A 24 76.286 6.709 -9.816 1.00 0.00 N ATOM 311 CA ASP A 24 76.649 8.119 -9.474 1.00 0.00 C ATOM 312 C ASP A 24 78.103 8.178 -9.006 1.00 0.00 C ATOM 313 O ASP A 24 78.833 9.091 -9.344 1.00 0.00 O ATOM 314 CB ASP A 24 75.705 8.511 -8.334 1.00 0.00 C ATOM 315 CG ASP A 24 74.272 8.647 -8.865 1.00 0.00 C ATOM 316 OD1 ASP A 24 74.115 8.897 -10.050 1.00 0.00 O ATOM 317 OD2 ASP A 24 73.355 8.500 -8.074 1.00 0.00 O1- ATOM 0 H ASP A 24 75.631 6.264 -9.173 1.00 0.00 H new ATOM 0 HA ASP A 24 76.554 8.791 -10.327 1.00 0.00 H new ATOM 0 HB2 ASP A 24 75.740 7.758 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 24 76.028 9.453 -7.890 1.00 0.00 H new ATOM 322 N HIS A 25 78.531 7.211 -8.236 1.00 0.00 N ATOM 323 CA HIS A 25 79.943 7.206 -7.746 1.00 0.00 C ATOM 324 C HIS A 25 80.854 6.452 -8.719 1.00 0.00 C ATOM 325 O HIS A 25 82.033 6.294 -8.467 1.00 0.00 O ATOM 326 CB HIS A 25 79.911 6.466 -6.410 1.00 0.00 C ATOM 327 CG HIS A 25 78.995 7.167 -5.451 1.00 0.00 C ATOM 328 ND1 HIS A 25 79.222 8.461 -5.012 1.00 0.00 N ATOM 329 CD2 HIS A 25 77.843 6.757 -4.836 1.00 0.00 C ATOM 330 CE1 HIS A 25 78.223 8.783 -4.169 1.00 0.00 C ATOM 331 NE2 HIS A 25 77.354 7.778 -4.026 1.00 0.00 N ATOM 0 H HIS A 25 77.963 6.423 -7.925 1.00 0.00 H new ATOM 0 HA HIS A 25 80.330 8.221 -7.654 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.574 5.441 -6.562 1.00 0.00 H new ATOM 0 HB3 HIS A 25 80.916 6.413 -5.991 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.383 5.788 -4.960 1.00 0.00 H new ATOM 0 HE1 HIS A 25 78.135 9.737 -3.670 1.00 0.00 H new ATOM 0 HE2 HIS A 25 76.514 7.762 -3.448 1.00 0.00 H new ATOM 339 N GLY A 26 80.327 5.972 -9.826 1.00 0.00 N ATOM 340 CA GLY A 26 81.175 5.215 -10.797 1.00 0.00 C ATOM 341 C GLY A 26 82.410 6.029 -11.173 1.00 0.00 C ATOM 342 O GLY A 26 82.322 7.160 -11.613 1.00 0.00 O ATOM 0 H GLY A 26 79.348 6.074 -10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.478 4.264 -10.360 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.597 4.985 -11.692 1.00 0.00 H new ATOM 346 N LEU A 27 83.554 5.436 -11.017 1.00 0.00 N ATOM 347 CA LEU A 27 84.827 6.123 -11.373 1.00 0.00 C ATOM 348 C LEU A 27 85.323 5.644 -12.750 1.00 0.00 C ATOM 349 O LEU A 27 86.355 6.075 -13.227 1.00 0.00 O ATOM 350 CB LEU A 27 85.802 5.728 -10.260 1.00 0.00 C ATOM 351 CG LEU A 27 85.301 6.307 -8.931 1.00 0.00 C ATOM 352 CD1 LEU A 27 86.153 5.779 -7.772 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.396 7.835 -8.977 1.00 0.00 C ATOM 0 H LEU A 27 83.667 4.490 -10.653 1.00 0.00 H new ATOM 0 HA LEU A 27 84.718 7.205 -11.448 1.00 0.00 H new ATOM 0 HB2 LEU A 27 85.878 4.643 -10.193 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.800 6.104 -10.483 1.00 0.00 H new ATOM 0 HG LEU A 27 84.265 6.005 -8.777 1.00 0.00 H new ATOM 0 HD11 LEU A 27 85.789 6.196 -6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 27 86.085 4.692 -7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.192 6.073 -7.921 1.00 0.00 H new ATOM 0 HD21 LEU A 27 85.041 8.250 -8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.433 8.130 -9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.782 8.213 -9.794 1.00 0.00 H new ATOM 365 N MET A 28 84.588 4.762 -13.392 1.00 0.00 N ATOM 366 CA MET A 28 85.002 4.259 -14.736 1.00 0.00 C ATOM 367 C MET A 28 84.905 5.377 -15.775 1.00 0.00 C ATOM 368 O MET A 28 85.632 5.392 -16.752 1.00 0.00 O ATOM 369 CB MET A 28 84.007 3.144 -15.072 1.00 0.00 C ATOM 370 CG MET A 28 84.383 2.509 -16.412 1.00 0.00 C ATOM 371 SD MET A 28 83.112 1.313 -16.892 1.00 0.00 S ATOM 372 CE MET A 28 83.469 0.080 -15.619 1.00 0.00 C ATOM 0 H MET A 28 83.716 4.370 -13.037 1.00 0.00 H new ATOM 0 HA MET A 28 86.033 3.905 -14.737 1.00 0.00 H new ATOM 0 HB2 MET A 28 84.012 2.389 -14.286 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.996 3.547 -15.120 1.00 0.00 H new ATOM 0 HG2 MET A 28 84.480 3.279 -17.177 1.00 0.00 H new ATOM 0 HG3 MET A 28 85.351 2.015 -16.333 1.00 0.00 H new ATOM 0 HE1 MET A 28 83.017 -0.872 -15.897 1.00 0.00 H new ATOM 0 HE2 MET A 28 84.548 -0.045 -15.525 1.00 0.00 H new ATOM 0 HE3 MET A 28 83.058 0.412 -14.666 1.00 0.00 H new ATOM 382 N ALA A 29 83.987 6.292 -15.590 1.00 0.00 N ATOM 383 CA ALA A 29 83.804 7.394 -16.587 1.00 0.00 C ATOM 384 C ALA A 29 85.124 8.123 -16.869 1.00 0.00 C ATOM 385 O ALA A 29 85.701 7.969 -17.930 1.00 0.00 O ATOM 386 CB ALA A 29 82.788 8.344 -15.952 1.00 0.00 C ATOM 0 H ALA A 29 83.355 6.325 -14.790 1.00 0.00 H new ATOM 0 HA ALA A 29 83.463 7.008 -17.548 1.00 0.00 H new ATOM 0 HB1 ALA A 29 82.601 9.180 -16.626 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.855 7.810 -15.769 1.00 0.00 H new ATOM 0 HB3 ALA A 29 83.182 8.720 -15.008 1.00 0.00 H new ATOM 392 N GLN A 30 85.613 8.902 -15.935 1.00 0.00 N ATOM 393 CA GLN A 30 86.904 9.622 -16.166 1.00 0.00 C ATOM 394 C GLN A 30 88.062 8.627 -16.176 1.00 0.00 C ATOM 395 O GLN A 30 88.987 8.737 -16.957 1.00 0.00 O ATOM 396 CB GLN A 30 87.041 10.590 -14.995 1.00 0.00 C ATOM 397 CG GLN A 30 86.002 11.694 -15.137 1.00 0.00 C ATOM 398 CD GLN A 30 86.052 12.611 -13.914 1.00 0.00 C ATOM 399 OE1 GLN A 30 85.076 12.750 -13.203 1.00 0.00 O ATOM 400 NE2 GLN A 30 87.159 13.243 -13.632 1.00 0.00 N ATOM 0 H GLN A 30 85.177 9.070 -15.028 1.00 0.00 H new ATOM 0 HA GLN A 30 86.919 10.143 -17.123 1.00 0.00 H new ATOM 0 HB2 GLN A 30 86.902 10.061 -14.052 1.00 0.00 H new ATOM 0 HB3 GLN A 30 88.044 11.017 -14.976 1.00 0.00 H new ATOM 0 HG2 GLN A 30 86.191 12.270 -16.043 1.00 0.00 H new ATOM 0 HG3 GLN A 30 85.007 11.260 -15.237 1.00 0.00 H new ATOM 0 HE21 GLN A 30 87.979 13.127 -14.228 1.00 0.00 H new ATOM 0 HE22 GLN A 30 87.204 13.853 -12.816 1.00 0.00 H new ATOM 409 N TYR A 31 88.016 7.665 -15.293 1.00 0.00 N ATOM 410 CA TYR A 31 89.110 6.656 -15.213 1.00 0.00 C ATOM 411 C TYR A 31 88.535 5.241 -15.382 1.00 0.00 C ATOM 412 O TYR A 31 88.073 4.653 -14.426 1.00 0.00 O ATOM 413 CB TYR A 31 89.707 6.839 -13.819 1.00 0.00 C ATOM 414 CG TYR A 31 90.275 8.235 -13.700 1.00 0.00 C ATOM 415 CD1 TYR A 31 91.372 8.611 -14.484 1.00 0.00 C ATOM 416 CD2 TYR A 31 89.704 9.152 -12.809 1.00 0.00 C ATOM 417 CE1 TYR A 31 91.899 9.903 -14.377 1.00 0.00 C ATOM 418 CE2 TYR A 31 90.232 10.445 -12.702 1.00 0.00 C ATOM 419 CZ TYR A 31 91.330 10.820 -13.486 1.00 0.00 C ATOM 420 OH TYR A 31 91.849 12.093 -13.380 1.00 0.00 O ATOM 0 H TYR A 31 87.261 7.535 -14.619 1.00 0.00 H new ATOM 0 HA TYR A 31 89.859 6.785 -15.995 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.942 6.679 -13.059 1.00 0.00 H new ATOM 0 HB3 TYR A 31 90.489 6.100 -13.645 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.812 7.904 -15.172 1.00 0.00 H new ATOM 0 HD2 TYR A 31 88.857 8.863 -12.205 1.00 0.00 H new ATOM 0 HE1 TYR A 31 92.745 10.193 -14.982 1.00 0.00 H new ATOM 0 HE2 TYR A 31 89.792 11.153 -12.015 1.00 0.00 H new ATOM 0 HH TYR A 31 91.336 12.601 -12.717 1.00 0.00 H new ATOM 430 N PRO A 32 88.566 4.736 -16.599 1.00 0.00 N ATOM 431 CA PRO A 32 88.017 3.381 -16.864 1.00 0.00 C ATOM 432 C PRO A 32 88.920 2.285 -16.282 1.00 0.00 C ATOM 433 O PRO A 32 88.492 1.161 -16.101 1.00 0.00 O ATOM 434 CB PRO A 32 87.979 3.298 -18.388 1.00 0.00 C ATOM 435 CG PRO A 32 89.019 4.264 -18.854 1.00 0.00 C ATOM 436 CD PRO A 32 89.105 5.356 -17.822 1.00 0.00 C ATOM 0 HA PRO A 32 87.041 3.231 -16.403 1.00 0.00 H new ATOM 0 HB2 PRO A 32 88.196 2.287 -18.734 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.994 3.562 -18.773 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.982 3.767 -18.969 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.754 4.675 -19.828 1.00 0.00 H new ATOM 0 HD2 PRO A 32 90.133 5.691 -17.680 1.00 0.00 H new ATOM 0 HD3 PRO A 32 88.523 6.230 -18.116 1.00 0.00 H new ATOM 444 N THR A 33 90.161 2.595 -15.994 1.00 0.00 N ATOM 445 CA THR A 33 91.083 1.560 -15.432 1.00 0.00 C ATOM 446 C THR A 33 91.622 2.007 -14.070 1.00 0.00 C ATOM 447 O THR A 33 91.779 3.184 -13.806 1.00 0.00 O ATOM 448 CB THR A 33 92.221 1.449 -16.448 1.00 0.00 C ATOM 449 OG1 THR A 33 91.688 1.491 -17.765 1.00 0.00 O ATOM 450 CG2 THR A 33 92.963 0.128 -16.241 1.00 0.00 C ATOM 0 H THR A 33 90.574 3.518 -16.124 1.00 0.00 H new ATOM 0 HA THR A 33 90.581 0.606 -15.274 1.00 0.00 H new ATOM 0 HB THR A 33 92.912 2.280 -16.309 1.00 0.00 H new ATOM 0 HG1 THR A 33 92.418 1.422 -18.416 1.00 0.00 H new ATOM 0 HG21 THR A 33 93.774 0.049 -16.965 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.373 0.095 -15.232 1.00 0.00 H new ATOM 0 HG23 THR A 33 92.271 -0.703 -16.379 1.00 0.00 H new ATOM 458 N LEU A 34 91.898 1.063 -13.205 1.00 0.00 N ATOM 459 CA LEU A 34 92.423 1.404 -11.845 1.00 0.00 C ATOM 460 C LEU A 34 93.859 1.925 -11.942 1.00 0.00 C ATOM 461 O LEU A 34 94.746 1.229 -12.401 1.00 0.00 O ATOM 462 CB LEU A 34 92.396 0.077 -11.076 1.00 0.00 C ATOM 463 CG LEU A 34 92.893 0.289 -9.642 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.845 1.069 -8.844 1.00 0.00 C ATOM 465 CD2 LEU A 34 93.131 -1.072 -8.981 1.00 0.00 C ATOM 0 H LEU A 34 91.782 0.065 -13.383 1.00 0.00 H new ATOM 0 HA LEU A 34 91.834 2.182 -11.359 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.382 -0.324 -11.062 1.00 0.00 H new ATOM 0 HB3 LEU A 34 93.023 -0.658 -11.581 1.00 0.00 H new ATOM 0 HG LEU A 34 93.825 0.854 -9.661 1.00 0.00 H new ATOM 0 HD11 LEU A 34 92.201 1.218 -7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.676 2.037 -9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.911 0.507 -8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.485 -0.924 -7.961 1.00 0.00 H new ATOM 0 HD22 LEU A 34 92.198 -1.636 -8.964 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.879 -1.626 -9.548 1.00 0.00 H new ATOM 477 N GLY A 35 94.096 3.134 -11.509 1.00 0.00 N ATOM 478 CA GLY A 35 95.481 3.694 -11.569 1.00 0.00 C ATOM 479 C GLY A 35 95.440 5.215 -11.758 1.00 0.00 C ATOM 480 O GLY A 35 96.305 5.784 -12.398 1.00 0.00 O ATOM 0 H GLY A 35 93.392 3.759 -11.116 1.00 0.00 H new ATOM 0 HA2 GLY A 35 96.018 3.450 -10.652 1.00 0.00 H new ATOM 0 HA3 GLY A 35 96.030 3.235 -12.391 1.00 0.00 H new ATOM 484 N GLU A 36 94.455 5.881 -11.205 1.00 0.00 N ATOM 485 CA GLU A 36 94.375 7.360 -11.351 1.00 0.00 C ATOM 486 C GLU A 36 93.530 7.962 -10.228 1.00 0.00 C ATOM 487 O GLU A 36 93.951 8.889 -9.562 1.00 0.00 O ATOM 488 CB GLU A 36 93.715 7.582 -12.708 1.00 0.00 C ATOM 489 CG GLU A 36 94.782 7.932 -13.760 1.00 0.00 C ATOM 490 CD GLU A 36 94.612 7.056 -15.011 1.00 0.00 C ATOM 491 OE1 GLU A 36 93.542 6.496 -15.189 1.00 0.00 O1- ATOM 492 OE2 GLU A 36 95.559 6.965 -15.774 1.00 0.00 O ATOM 0 H GLU A 36 93.704 5.459 -10.659 1.00 0.00 H new ATOM 0 HA GLU A 36 95.353 7.837 -11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 36 93.175 6.685 -13.010 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.983 8.387 -12.639 1.00 0.00 H new ATOM 0 HG2 GLU A 36 94.701 8.984 -14.032 1.00 0.00 H new ATOM 0 HG3 GLU A 36 95.777 7.787 -13.340 1.00 0.00 H new ATOM 499 N VAL A 37 92.349 7.433 -9.992 1.00 0.00 N ATOM 500 CA VAL A 37 91.496 7.978 -8.883 1.00 0.00 C ATOM 501 C VAL A 37 92.278 7.819 -7.554 1.00 0.00 C ATOM 502 O VAL A 37 92.582 8.801 -6.907 1.00 0.00 O ATOM 503 CB VAL A 37 90.188 7.152 -8.946 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.495 7.084 -7.577 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.238 7.812 -9.946 1.00 0.00 C ATOM 0 H VAL A 37 91.943 6.656 -10.513 1.00 0.00 H new ATOM 0 HA VAL A 37 91.254 9.038 -8.966 1.00 0.00 H new ATOM 0 HB VAL A 37 90.439 6.137 -9.253 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.581 6.496 -7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.163 6.615 -6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.249 8.092 -7.243 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.312 7.240 -10.000 1.00 0.00 H new ATOM 0 HG22 VAL A 37 89.018 8.829 -9.622 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.706 7.838 -10.930 1.00 0.00 H new ATOM 515 N PRO A 38 92.634 6.595 -7.221 1.00 0.00 N ATOM 516 CA PRO A 38 93.449 6.352 -6.002 1.00 0.00 C ATOM 517 C PRO A 38 94.914 6.690 -6.305 1.00 0.00 C ATOM 518 O PRO A 38 95.684 7.052 -5.437 1.00 0.00 O ATOM 519 CB PRO A 38 93.325 4.848 -5.783 1.00 0.00 C ATOM 520 CG PRO A 38 93.038 4.277 -7.132 1.00 0.00 C ATOM 521 CD PRO A 38 92.319 5.335 -7.920 1.00 0.00 C ATOM 0 HA PRO A 38 93.129 6.943 -5.144 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.244 4.434 -5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.525 4.617 -5.080 1.00 0.00 H new ATOM 0 HG2 PRO A 38 93.962 3.987 -7.631 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.427 3.379 -7.047 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.660 5.359 -8.955 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.245 5.152 -7.943 1.00 0.00 H new ATOM 529 N GLY A 39 95.294 6.530 -7.547 1.00 0.00 N ATOM 530 CA GLY A 39 96.694 6.780 -7.977 1.00 0.00 C ATOM 531 C GLY A 39 97.175 5.504 -8.669 1.00 0.00 C ATOM 532 O GLY A 39 97.400 5.470 -9.863 1.00 0.00 O ATOM 0 H GLY A 39 94.672 6.228 -8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.744 7.631 -8.656 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.325 7.018 -7.121 1.00 0.00 H new ATOM 536 N PHE A 40 97.264 4.439 -7.909 1.00 0.00 N ATOM 537 CA PHE A 40 97.659 3.086 -8.441 1.00 0.00 C ATOM 538 C PHE A 40 97.960 2.133 -7.277 1.00 0.00 C ATOM 539 O PHE A 40 97.331 1.100 -7.160 1.00 0.00 O ATOM 540 CB PHE A 40 98.910 3.237 -9.330 1.00 0.00 C ATOM 541 CG PHE A 40 98.628 2.633 -10.681 1.00 0.00 C ATOM 542 CD1 PHE A 40 98.212 1.301 -10.778 1.00 0.00 C ATOM 543 CD2 PHE A 40 98.785 3.404 -11.825 1.00 0.00 C ATOM 544 CE1 PHE A 40 97.951 0.740 -12.030 1.00 0.00 C ATOM 545 CE2 PHE A 40 98.527 2.849 -13.085 1.00 0.00 C ATOM 546 CZ PHE A 40 98.110 1.514 -13.187 1.00 0.00 C ATOM 0 H PHE A 40 97.073 4.448 -6.907 1.00 0.00 H new ATOM 0 HA PHE A 40 96.839 2.674 -9.030 1.00 0.00 H new ATOM 0 HB2 PHE A 40 99.172 4.290 -9.436 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.763 2.741 -8.867 1.00 0.00 H new ATOM 0 HD1 PHE A 40 98.093 0.706 -9.884 1.00 0.00 H new ATOM 0 HD2 PHE A 40 99.106 4.432 -11.743 1.00 0.00 H new ATOM 0 HE1 PHE A 40 97.628 -0.288 -12.106 1.00 0.00 H new ATOM 0 HE2 PHE A 40 98.649 3.448 -13.976 1.00 0.00 H new ATOM 0 HZ PHE A 40 97.911 1.083 -14.157 1.00 0.00 H new ATOM 556 N PRO A 41 98.920 2.494 -6.438 1.00 0.00 N ATOM 557 CA PRO A 41 99.273 1.637 -5.295 1.00 0.00 C ATOM 558 C PRO A 41 98.529 2.111 -4.041 1.00 0.00 C ATOM 559 O PRO A 41 98.897 1.774 -2.933 1.00 0.00 O ATOM 560 CB PRO A 41 100.769 1.884 -5.139 1.00 0.00 C ATOM 561 CG PRO A 41 101.021 3.250 -5.722 1.00 0.00 C ATOM 562 CD PRO A 41 99.763 3.699 -6.434 1.00 0.00 C ATOM 0 HA PRO A 41 99.018 0.587 -5.438 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.065 1.845 -4.091 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.348 1.123 -5.662 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.285 3.956 -4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 41 101.860 3.218 -6.417 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.280 4.525 -5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 41 99.976 4.043 -7.446 1.00 0.00 H new ATOM 570 N ASN A 42 97.500 2.905 -4.208 1.00 0.00 N ATOM 571 CA ASN A 42 96.747 3.416 -3.026 1.00 0.00 C ATOM 572 C ASN A 42 95.274 3.032 -3.154 1.00 0.00 C ATOM 573 O ASN A 42 94.390 3.804 -2.836 1.00 0.00 O ATOM 574 CB ASN A 42 96.905 4.940 -3.085 1.00 0.00 C ATOM 575 CG ASN A 42 98.391 5.320 -3.057 1.00 0.00 C ATOM 576 OD1 ASN A 42 98.926 5.787 -4.043 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.080 5.146 -1.963 1.00 0.00 N ATOM 0 H ASN A 42 97.151 3.220 -5.113 1.00 0.00 H new ATOM 0 HA ASN A 42 97.114 3.005 -2.085 1.00 0.00 H new ATOM 0 HB2 ASN A 42 96.440 5.326 -3.992 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.389 5.399 -2.242 1.00 0.00 H new ATOM 0 HD21 ASN A 42 100.067 5.402 -1.936 1.00 0.00 H new ATOM 0 HD22 ASN A 42 98.632 4.754 -1.135 1.00 0.00 H new ATOM 584 N VAL A 43 95.009 1.847 -3.640 1.00 0.00 N ATOM 585 CA VAL A 43 93.599 1.404 -3.819 1.00 0.00 C ATOM 586 C VAL A 43 93.365 0.041 -3.156 1.00 0.00 C ATOM 587 O VAL A 43 94.203 -0.842 -3.202 1.00 0.00 O ATOM 588 CB VAL A 43 93.407 1.325 -5.339 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.327 0.250 -5.941 1.00 0.00 C ATOM 590 CG2 VAL A 43 91.943 0.995 -5.644 1.00 0.00 C ATOM 0 H VAL A 43 95.714 1.166 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 43 92.888 2.087 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 43 93.666 2.286 -5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.178 0.207 -7.020 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.366 0.499 -5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.089 -0.719 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 43 91.800 0.938 -6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 43 91.684 0.037 -5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.301 1.775 -5.234 1.00 0.00 H new ATOM 600 N GLY A 44 92.222 -0.125 -2.539 1.00 0.00 N ATOM 601 CA GLY A 44 91.900 -1.417 -1.863 1.00 0.00 C ATOM 602 C GLY A 44 90.409 -1.460 -1.492 1.00 0.00 C ATOM 603 O GLY A 44 89.689 -0.495 -1.657 1.00 0.00 O ATOM 0 H GLY A 44 91.493 0.586 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.144 -2.251 -2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.510 -1.529 -0.966 1.00 0.00 H new ATOM 607 N GLY A 45 89.952 -2.580 -0.975 1.00 0.00 N ATOM 608 CA GLY A 45 88.515 -2.707 -0.571 1.00 0.00 C ATOM 609 C GLY A 45 88.373 -2.258 0.885 1.00 0.00 C ATOM 610 O GLY A 45 89.353 -2.188 1.602 1.00 0.00 O ATOM 0 H GLY A 45 90.517 -3.414 -0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 45 87.885 -2.096 -1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.181 -3.739 -0.683 1.00 0.00 H new ATOM 614 N ILE A 46 87.175 -1.942 1.330 1.00 0.00 N ATOM 615 CA ILE A 46 87.008 -1.478 2.750 1.00 0.00 C ATOM 616 C ILE A 46 85.540 -1.604 3.216 1.00 0.00 C ATOM 617 O ILE A 46 84.654 -1.806 2.414 1.00 0.00 O ATOM 618 CB ILE A 46 87.497 -0.012 2.805 1.00 0.00 C ATOM 619 CG1 ILE A 46 87.268 0.709 1.456 1.00 0.00 C ATOM 620 CG2 ILE A 46 88.990 -0.001 3.162 1.00 0.00 C ATOM 621 CD1 ILE A 46 87.961 2.053 1.457 1.00 0.00 C ATOM 0 H ILE A 46 86.317 -1.984 0.780 1.00 0.00 H new ATOM 0 HA ILE A 46 87.591 -2.101 3.428 1.00 0.00 H new ATOM 0 HB ILE A 46 86.925 0.522 3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 46 87.649 0.096 0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 46 86.200 0.843 1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 46 89.347 1.028 3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.136 -0.475 4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.550 -0.548 2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 46 87.792 2.550 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 46 87.560 2.668 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 46 89.031 1.910 1.608 1.00 0.00 H new ATOM 633 N PRO A 47 85.343 -1.523 4.520 1.00 0.00 N ATOM 634 CA PRO A 47 83.979 -1.684 5.115 1.00 0.00 C ATOM 635 C PRO A 47 83.018 -0.507 4.846 1.00 0.00 C ATOM 636 O PRO A 47 81.816 -0.677 4.949 1.00 0.00 O ATOM 637 CB PRO A 47 84.260 -1.761 6.616 1.00 0.00 C ATOM 638 CG PRO A 47 85.555 -1.046 6.805 1.00 0.00 C ATOM 639 CD PRO A 47 86.360 -1.278 5.561 1.00 0.00 C ATOM 0 HA PRO A 47 83.480 -2.551 4.682 1.00 0.00 H new ATOM 0 HB2 PRO A 47 83.462 -1.291 7.191 1.00 0.00 H new ATOM 0 HB3 PRO A 47 84.328 -2.796 6.952 1.00 0.00 H new ATOM 0 HG2 PRO A 47 85.389 0.019 6.966 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.081 -1.423 7.682 1.00 0.00 H new ATOM 0 HD2 PRO A 47 86.979 -0.414 5.319 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.031 -2.130 5.672 1.00 0.00 H new ATOM 647 N ASP A 48 83.499 0.681 4.548 1.00 0.00 N ATOM 648 CA ASP A 48 82.551 1.833 4.340 1.00 0.00 C ATOM 649 C ASP A 48 81.981 1.885 2.910 1.00 0.00 C ATOM 650 O ASP A 48 81.212 2.770 2.586 1.00 0.00 O ATOM 651 CB ASP A 48 83.353 3.092 4.668 1.00 0.00 C ATOM 652 CG ASP A 48 83.628 3.155 6.175 1.00 0.00 C ATOM 653 OD1 ASP A 48 82.840 2.607 6.930 1.00 0.00 O1- ATOM 654 OD2 ASP A 48 84.622 3.755 6.548 1.00 0.00 O ATOM 0 H ASP A 48 84.489 0.903 4.441 1.00 0.00 H new ATOM 0 HA ASP A 48 81.676 1.730 4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.294 3.089 4.117 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.802 3.978 4.352 1.00 0.00 H new ATOM 659 N ILE A 49 82.305 0.934 2.075 1.00 0.00 N ATOM 660 CA ILE A 49 81.731 0.915 0.689 1.00 0.00 C ATOM 661 C ILE A 49 80.534 -0.041 0.690 1.00 0.00 C ATOM 662 O ILE A 49 80.628 -1.159 1.160 1.00 0.00 O ATOM 663 CB ILE A 49 82.851 0.392 -0.216 1.00 0.00 C ATOM 664 CG1 ILE A 49 84.105 1.260 -0.037 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.402 0.425 -1.682 1.00 0.00 C ATOM 666 CD1 ILE A 49 83.828 2.711 -0.438 1.00 0.00 C ATOM 0 H ILE A 49 82.942 0.167 2.289 1.00 0.00 H new ATOM 0 HA ILE A 49 81.390 1.892 0.347 1.00 0.00 H new ATOM 0 HB ILE A 49 83.081 -0.637 0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 49 84.433 1.222 1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 49 84.918 0.860 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 49 83.205 0.051 -2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.519 -0.202 -1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 49 82.162 1.450 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 49 84.732 3.305 -0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 49 83.524 2.748 -1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 49 83.031 3.115 0.186 1.00 0.00 H new ATOM 678 N ALA A 50 79.401 0.401 0.199 1.00 0.00 N ATOM 679 CA ALA A 50 78.184 -0.469 0.207 1.00 0.00 C ATOM 680 C ALA A 50 78.145 -1.405 -0.994 1.00 0.00 C ATOM 681 O ALA A 50 77.953 -2.597 -0.836 1.00 0.00 O ATOM 682 CB ALA A 50 77.003 0.502 0.168 1.00 0.00 C ATOM 0 H ALA A 50 79.267 1.327 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 50 78.167 -1.114 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 50 76.069 -0.060 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.038 1.153 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 50 77.059 1.107 -0.737 1.00 0.00 H new ATOM 688 N GLY A 51 78.311 -0.895 -2.186 1.00 0.00 N ATOM 689 CA GLY A 51 78.262 -1.798 -3.367 1.00 0.00 C ATOM 690 C GLY A 51 78.345 -1.007 -4.673 1.00 0.00 C ATOM 691 O GLY A 51 79.153 -0.115 -4.832 1.00 0.00 O ATOM 0 H GLY A 51 78.476 0.091 -2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 51 79.085 -2.510 -3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.338 -2.377 -3.347 1.00 0.00 H new ATOM 695 N TRP A 52 77.514 -1.368 -5.615 1.00 0.00 N ATOM 696 CA TRP A 52 77.499 -0.708 -6.962 1.00 0.00 C ATOM 697 C TRP A 52 77.625 0.820 -6.895 1.00 0.00 C ATOM 698 O TRP A 52 78.114 1.434 -7.828 1.00 0.00 O ATOM 699 CB TRP A 52 76.147 -1.079 -7.572 1.00 0.00 C ATOM 700 CG TRP A 52 76.189 -0.784 -9.035 1.00 0.00 C ATOM 701 CD1 TRP A 52 77.004 -1.398 -9.923 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.415 0.189 -9.796 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.782 -0.865 -11.179 1.00 0.00 N ATOM 704 CE2 TRP A 52 75.812 0.116 -11.153 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.419 1.117 -9.446 1.00 0.00 C ATOM 706 CZ2 TRP A 52 75.241 0.936 -12.127 1.00 0.00 C ATOM 707 CZ3 TRP A 52 73.841 1.944 -10.424 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.252 1.853 -11.761 1.00 0.00 C ATOM 0 H TRP A 52 76.825 -2.113 -5.507 1.00 0.00 H new ATOM 0 HA TRP A 52 78.354 -1.046 -7.548 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.933 -2.135 -7.405 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.348 -0.512 -7.094 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.713 -2.178 -9.689 1.00 0.00 H new ATOM 0 HE1 TRP A 52 77.275 -1.161 -12.022 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.096 1.195 -8.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.561 0.863 -13.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.076 2.653 -10.144 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.804 2.492 -12.508 1.00 0.00 H new ATOM 719 N ASP A 53 77.200 1.442 -5.819 1.00 0.00 N ATOM 720 CA ASP A 53 77.308 2.928 -5.729 1.00 0.00 C ATOM 721 C ASP A 53 77.557 3.371 -4.285 1.00 0.00 C ATOM 722 O ASP A 53 76.747 4.055 -3.687 1.00 0.00 O ATOM 723 CB ASP A 53 75.959 3.460 -6.225 1.00 0.00 C ATOM 724 CG ASP A 53 75.962 3.548 -7.755 1.00 0.00 C ATOM 725 OD1 ASP A 53 77.038 3.601 -8.329 1.00 0.00 O ATOM 726 OD2 ASP A 53 74.884 3.570 -8.326 1.00 0.00 O1- ATOM 0 H ASP A 53 76.786 0.985 -5.006 1.00 0.00 H new ATOM 0 HA ASP A 53 78.142 3.307 -6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.155 2.804 -5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 53 75.766 4.443 -5.796 1.00 0.00 H new ATOM 731 N SER A 54 78.666 2.974 -3.717 1.00 0.00 N ATOM 732 CA SER A 54 78.966 3.357 -2.301 1.00 0.00 C ATOM 733 C SER A 54 78.951 4.888 -2.143 1.00 0.00 C ATOM 734 O SER A 54 79.541 5.588 -2.943 1.00 0.00 O ATOM 735 CB SER A 54 80.365 2.808 -2.026 1.00 0.00 C ATOM 736 OG SER A 54 81.199 3.069 -3.147 1.00 0.00 O ATOM 0 H SER A 54 79.378 2.401 -4.170 1.00 0.00 H new ATOM 0 HA SER A 54 78.226 2.959 -1.606 1.00 0.00 H new ATOM 0 HB2 SER A 54 80.781 3.272 -1.132 1.00 0.00 H new ATOM 0 HB3 SER A 54 80.317 1.736 -1.835 1.00 0.00 H new ATOM 0 HG SER A 54 81.326 2.243 -3.660 1.00 0.00 H new ATOM 742 N PRO A 55 78.277 5.372 -1.117 1.00 0.00 N ATOM 743 CA PRO A 55 78.213 6.837 -0.892 1.00 0.00 C ATOM 744 C PRO A 55 79.557 7.369 -0.384 1.00 0.00 C ATOM 745 O PRO A 55 79.846 8.546 -0.491 1.00 0.00 O ATOM 746 CB PRO A 55 77.131 6.996 0.172 1.00 0.00 C ATOM 747 CG PRO A 55 77.104 5.690 0.897 1.00 0.00 C ATOM 748 CD PRO A 55 77.526 4.631 -0.087 1.00 0.00 C ATOM 0 HA PRO A 55 77.994 7.394 -1.803 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.362 7.818 0.849 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.164 7.217 -0.279 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.778 5.711 1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.105 5.483 1.282 1.00 0.00 H new ATOM 0 HD2 PRO A 55 78.146 3.871 0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.664 4.118 -0.514 1.00 0.00 H new ATOM 756 N SER A 56 80.378 6.510 0.174 1.00 0.00 N ATOM 757 CA SER A 56 81.699 6.960 0.695 1.00 0.00 C ATOM 758 C SER A 56 82.808 6.722 -0.337 1.00 0.00 C ATOM 759 O SER A 56 83.965 6.868 -0.030 1.00 0.00 O ATOM 760 CB SER A 56 81.941 6.107 1.939 1.00 0.00 C ATOM 761 OG SER A 56 80.860 6.280 2.844 1.00 0.00 O ATOM 0 H SER A 56 80.185 5.515 0.289 1.00 0.00 H new ATOM 0 HA SER A 56 81.704 8.028 0.914 1.00 0.00 H new ATOM 0 HB2 SER A 56 82.034 5.057 1.662 1.00 0.00 H new ATOM 0 HB3 SER A 56 82.878 6.395 2.415 1.00 0.00 H new ATOM 0 HG SER A 56 81.011 5.733 3.643 1.00 0.00 H new ATOM 767 N CYS A 57 82.464 6.361 -1.553 1.00 0.00 N ATOM 768 CA CYS A 57 83.514 6.119 -2.599 1.00 0.00 C ATOM 769 C CYS A 57 84.274 7.421 -2.902 1.00 0.00 C ATOM 770 O CYS A 57 83.694 8.488 -2.961 1.00 0.00 O ATOM 771 CB CYS A 57 82.738 5.648 -3.836 1.00 0.00 C ATOM 772 SG CYS A 57 83.666 4.387 -4.746 1.00 0.00 S ATOM 0 H CYS A 57 81.503 6.224 -1.866 1.00 0.00 H new ATOM 0 HA CYS A 57 84.256 5.387 -2.279 1.00 0.00 H new ATOM 0 HB2 CYS A 57 81.772 5.244 -3.532 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.537 6.498 -4.488 1.00 0.00 H new ATOM 777 N GLY A 58 85.565 7.329 -3.115 1.00 0.00 N ATOM 778 CA GLY A 58 86.373 8.550 -3.441 1.00 0.00 C ATOM 779 C GLY A 58 87.022 9.130 -2.177 1.00 0.00 C ATOM 780 O GLY A 58 88.037 9.797 -2.243 1.00 0.00 O ATOM 0 H GLY A 58 86.096 6.459 -3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 58 87.145 8.297 -4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.733 9.301 -3.904 1.00 0.00 H new ATOM 784 N THR A 59 86.450 8.877 -1.029 1.00 0.00 N ATOM 785 CA THR A 59 87.021 9.401 0.250 1.00 0.00 C ATOM 786 C THR A 59 88.479 8.934 0.425 1.00 0.00 C ATOM 787 O THR A 59 88.926 7.991 -0.209 1.00 0.00 O ATOM 788 CB THR A 59 86.120 8.820 1.351 1.00 0.00 C ATOM 789 OG1 THR A 59 84.802 9.326 1.189 1.00 0.00 O ATOM 790 CG2 THR A 59 86.642 9.217 2.735 1.00 0.00 C ATOM 0 H THR A 59 85.601 8.323 -0.921 1.00 0.00 H new ATOM 0 HA THR A 59 87.044 10.490 0.277 1.00 0.00 H new ATOM 0 HB THR A 59 86.120 7.733 1.271 1.00 0.00 H new ATOM 0 HG1 THR A 59 84.241 8.647 0.759 1.00 0.00 H new ATOM 0 HG21 THR A 59 85.992 8.797 3.503 1.00 0.00 H new ATOM 0 HG22 THR A 59 87.654 8.833 2.866 1.00 0.00 H new ATOM 0 HG23 THR A 59 86.652 10.303 2.822 1.00 0.00 H new ATOM 798 N CYS A 60 89.209 9.603 1.276 1.00 0.00 N ATOM 799 CA CYS A 60 90.645 9.247 1.515 1.00 0.00 C ATOM 800 C CYS A 60 90.859 8.715 2.943 1.00 0.00 C ATOM 801 O CYS A 60 90.150 9.089 3.859 1.00 0.00 O ATOM 802 CB CYS A 60 91.383 10.577 1.346 1.00 0.00 C ATOM 803 SG CYS A 60 93.169 10.306 1.481 1.00 0.00 S ATOM 0 H CYS A 60 88.870 10.393 1.825 1.00 0.00 H new ATOM 0 HA CYS A 60 90.991 8.465 0.839 1.00 0.00 H new ATOM 0 HB2 CYS A 60 91.144 11.016 0.377 1.00 0.00 H new ATOM 0 HB3 CYS A 60 91.054 11.285 2.106 1.00 0.00 H new ATOM 808 N TRP A 61 91.851 7.876 3.147 1.00 0.00 N ATOM 809 CA TRP A 61 92.133 7.360 4.528 1.00 0.00 C ATOM 810 C TRP A 61 93.634 7.233 4.761 1.00 0.00 C ATOM 811 O TRP A 61 94.383 6.942 3.851 1.00 0.00 O ATOM 812 CB TRP A 61 91.524 5.968 4.600 1.00 0.00 C ATOM 813 CG TRP A 61 90.096 6.053 4.994 1.00 0.00 C ATOM 814 CD1 TRP A 61 89.075 5.896 4.144 1.00 0.00 C ATOM 815 CD2 TRP A 61 89.507 6.301 6.305 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.887 6.014 4.838 1.00 0.00 N ATOM 817 CE2 TRP A 61 88.101 6.269 6.170 1.00 0.00 C ATOM 818 CE3 TRP A 61 90.043 6.546 7.582 1.00 0.00 C ATOM 819 CZ2 TRP A 61 87.255 6.468 7.252 1.00 0.00 C ATOM 820 CZ3 TRP A 61 89.190 6.752 8.680 1.00 0.00 C ATOM 821 CH2 TRP A 61 87.796 6.712 8.514 1.00 0.00 C ATOM 0 H TRP A 61 92.475 7.528 2.419 1.00 0.00 H new ATOM 0 HA TRP A 61 91.722 8.039 5.275 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.613 5.474 3.633 1.00 0.00 H new ATOM 0 HB3 TRP A 61 92.072 5.360 5.320 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.165 5.707 3.084 1.00 0.00 H new ATOM 0 HE1 TRP A 61 86.964 5.923 4.413 1.00 0.00 H new ATOM 0 HE3 TRP A 61 91.114 6.576 7.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 86.184 6.434 7.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 89.609 6.942 9.657 1.00 0.00 H new ATOM 0 HH2 TRP A 61 87.145 6.870 9.361 1.00 0.00 H new ATOM 832 N LYS A 62 94.070 7.408 5.977 1.00 0.00 N ATOM 833 CA LYS A 62 95.518 7.256 6.288 1.00 0.00 C ATOM 834 C LYS A 62 95.689 5.996 7.141 1.00 0.00 C ATOM 835 O LYS A 62 94.990 5.813 8.114 1.00 0.00 O ATOM 836 CB LYS A 62 95.886 8.517 7.071 1.00 0.00 C ATOM 837 CG LYS A 62 97.378 8.498 7.410 1.00 0.00 C ATOM 838 CD LYS A 62 97.741 9.775 8.170 1.00 0.00 C ATOM 839 CE LYS A 62 99.218 9.732 8.563 1.00 0.00 C ATOM 840 NZ LYS A 62 99.943 10.352 7.420 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.481 7.651 6.774 1.00 0.00 H new ATOM 0 HA LYS A 62 96.152 7.150 5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.648 9.404 6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 62 95.296 8.573 7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.614 7.622 8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 62 97.969 8.424 6.497 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.544 10.649 7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.119 9.870 9.060 1.00 0.00 H new ATOM 0 HE2 LYS A 62 99.396 10.282 9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 62 99.551 8.708 8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 100.845 9.856 7.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 99.362 10.281 6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 100.130 11.353 7.630 1.00 0.00 H new ATOM 854 N VAL A 63 96.591 5.119 6.776 1.00 0.00 N ATOM 855 CA VAL A 63 96.774 3.860 7.568 1.00 0.00 C ATOM 856 C VAL A 63 98.118 3.880 8.297 1.00 0.00 C ATOM 857 O VAL A 63 99.139 4.167 7.709 1.00 0.00 O ATOM 858 CB VAL A 63 96.725 2.727 6.536 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.902 1.377 7.236 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.372 2.745 5.821 1.00 0.00 C ATOM 0 H VAL A 63 97.206 5.218 5.969 1.00 0.00 H new ATOM 0 HA VAL A 63 96.008 3.739 8.334 1.00 0.00 H new ATOM 0 HB VAL A 63 97.528 2.870 5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.866 0.577 6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.864 1.356 7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 63 96.102 1.236 7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.337 1.940 5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.573 2.607 6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 63 95.240 3.702 5.316 1.00 0.00 H new ATOM 870 N THR A 64 98.112 3.605 9.579 1.00 0.00 N ATOM 871 CA THR A 64 99.375 3.633 10.378 1.00 0.00 C ATOM 872 C THR A 64 99.655 2.273 11.029 1.00 0.00 C ATOM 873 O THR A 64 98.753 1.610 11.512 1.00 0.00 O ATOM 874 CB THR A 64 99.104 4.675 11.463 1.00 0.00 C ATOM 875 OG1 THR A 64 98.616 5.866 10.860 1.00 0.00 O ATOM 876 CG2 THR A 64 100.399 4.977 12.217 1.00 0.00 C ATOM 0 H THR A 64 97.276 3.360 10.110 1.00 0.00 H new ATOM 0 HA THR A 64 100.242 3.864 9.759 1.00 0.00 H new ATOM 0 HB THR A 64 98.361 4.289 12.162 1.00 0.00 H new ATOM 0 HG1 THR A 64 98.440 6.535 11.554 1.00 0.00 H new ATOM 0 HG21 THR A 64 100.205 5.720 12.990 1.00 0.00 H new ATOM 0 HG22 THR A 64 100.773 4.063 12.678 1.00 0.00 H new ATOM 0 HG23 THR A 64 101.144 5.364 11.521 1.00 0.00 H new ATOM 884 N ILE A 65 100.900 1.855 11.048 1.00 0.00 N ATOM 885 CA ILE A 65 101.244 0.533 11.668 1.00 0.00 C ATOM 886 C ILE A 65 102.224 0.732 12.847 1.00 0.00 C ATOM 887 O ILE A 65 102.796 1.794 12.991 1.00 0.00 O ATOM 888 CB ILE A 65 101.880 -0.285 10.536 1.00 0.00 C ATOM 889 CG1 ILE A 65 103.121 0.440 10.003 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.871 -0.454 9.398 1.00 0.00 C ATOM 891 CD1 ILE A 65 104.054 -0.578 9.344 1.00 0.00 C ATOM 0 H ILE A 65 101.691 2.370 10.662 1.00 0.00 H new ATOM 0 HA ILE A 65 100.372 0.025 12.081 1.00 0.00 H new ATOM 0 HB ILE A 65 102.168 -1.263 10.922 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.829 1.204 9.282 1.00 0.00 H new ATOM 0 HG13 ILE A 65 103.636 0.950 10.817 1.00 0.00 H new ATOM 0 HG21 ILE A 65 101.323 -1.035 8.594 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.988 -0.974 9.769 1.00 0.00 H new ATOM 0 HG23 ILE A 65 100.582 0.526 9.019 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.939 -0.068 8.963 1.00 0.00 H new ATOM 0 HD12 ILE A 65 104.354 -1.325 10.079 1.00 0.00 H new ATOM 0 HD13 ILE A 65 103.535 -1.068 8.520 1.00 0.00 H new ATOM 903 N PRO A 66 102.367 -0.291 13.675 1.00 0.00 N ATOM 904 CA PRO A 66 103.265 -0.196 14.867 1.00 0.00 C ATOM 905 C PRO A 66 104.736 0.007 14.482 1.00 0.00 C ATOM 906 O PRO A 66 105.512 0.533 15.258 1.00 0.00 O ATOM 907 CB PRO A 66 103.069 -1.542 15.568 1.00 0.00 C ATOM 908 CG PRO A 66 102.593 -2.460 14.496 1.00 0.00 C ATOM 909 CD PRO A 66 101.732 -1.620 13.596 1.00 0.00 C ATOM 0 HA PRO A 66 103.021 0.663 15.492 1.00 0.00 H new ATOM 0 HB2 PRO A 66 104.000 -1.898 16.010 1.00 0.00 H new ATOM 0 HB3 PRO A 66 102.341 -1.466 16.376 1.00 0.00 H new ATOM 0 HG2 PRO A 66 103.431 -2.889 13.947 1.00 0.00 H new ATOM 0 HG3 PRO A 66 102.027 -3.292 14.915 1.00 0.00 H new ATOM 0 HD2 PRO A 66 101.722 -2.002 12.575 1.00 0.00 H new ATOM 0 HD3 PRO A 66 100.697 -1.594 13.937 1.00 0.00 H new ATOM 917 N ASN A 67 105.126 -0.392 13.298 1.00 0.00 N ATOM 918 CA ASN A 67 106.553 -0.204 12.878 1.00 0.00 C ATOM 919 C ASN A 67 106.870 1.290 12.791 1.00 0.00 C ATOM 920 O ASN A 67 107.929 1.743 13.182 1.00 0.00 O ATOM 921 CB ASN A 67 106.661 -0.858 11.501 1.00 0.00 C ATOM 922 CG ASN A 67 108.123 -0.858 11.042 1.00 0.00 C ATOM 923 OD1 ASN A 67 108.923 -0.077 11.519 1.00 0.00 O ATOM 924 ND2 ASN A 67 108.507 -1.711 10.133 1.00 0.00 N ATOM 0 H ASN A 67 104.524 -0.838 12.606 1.00 0.00 H new ATOM 0 HA ASN A 67 107.256 -0.645 13.585 1.00 0.00 H new ATOM 0 HB2 ASN A 67 106.283 -1.879 11.542 1.00 0.00 H new ATOM 0 HB3 ASN A 67 106.044 -0.319 10.782 1.00 0.00 H new ATOM 0 HD21 ASN A 67 109.479 -1.723 9.823 1.00 0.00 H new ATOM 0 HD22 ASN A 67 107.836 -2.366 9.733 1.00 0.00 H new ATOM 931 N GLY A 68 105.937 2.050 12.285 1.00 0.00 N ATOM 932 CA GLY A 68 106.143 3.522 12.169 1.00 0.00 C ATOM 933 C GLY A 68 106.130 3.928 10.698 1.00 0.00 C ATOM 934 O GLY A 68 107.094 4.464 10.184 1.00 0.00 O ATOM 0 H GLY A 68 105.036 1.713 11.945 1.00 0.00 H new ATOM 0 HA2 GLY A 68 105.359 4.052 12.710 1.00 0.00 H new ATOM 0 HA3 GLY A 68 107.092 3.803 12.626 1.00 0.00 H new ATOM 938 N ASN A 69 105.040 3.686 10.024 1.00 0.00 N ATOM 939 CA ASN A 69 104.937 4.060 8.587 1.00 0.00 C ATOM 940 C ASN A 69 103.463 4.134 8.193 1.00 0.00 C ATOM 941 O ASN A 69 102.633 3.449 8.769 1.00 0.00 O ATOM 942 CB ASN A 69 105.651 2.941 7.829 1.00 0.00 C ATOM 943 CG ASN A 69 105.828 3.337 6.361 1.00 0.00 C ATOM 944 OD1 ASN A 69 105.749 4.500 6.016 1.00 0.00 O ATOM 945 ND2 ASN A 69 106.066 2.410 5.474 1.00 0.00 N ATOM 0 H ASN A 69 104.208 3.241 10.412 1.00 0.00 H new ATOM 0 HA ASN A 69 105.382 5.030 8.367 1.00 0.00 H new ATOM 0 HB2 ASN A 69 106.623 2.746 8.282 1.00 0.00 H new ATOM 0 HB3 ASN A 69 105.076 2.018 7.899 1.00 0.00 H new ATOM 0 HD21 ASN A 69 106.185 2.662 4.493 1.00 0.00 H new ATOM 0 HD22 ASN A 69 106.133 1.434 5.762 1.00 0.00 H new ATOM 952 N SER A 70 103.121 4.961 7.236 1.00 0.00 N ATOM 953 CA SER A 70 101.690 5.069 6.837 1.00 0.00 C ATOM 954 C SER A 70 101.532 5.422 5.356 1.00 0.00 C ATOM 955 O SER A 70 102.411 5.980 4.730 1.00 0.00 O ATOM 956 CB SER A 70 101.113 6.173 7.718 1.00 0.00 C ATOM 957 OG SER A 70 101.437 5.907 9.076 1.00 0.00 O ATOM 0 H SER A 70 103.766 5.559 6.720 1.00 0.00 H new ATOM 0 HA SER A 70 101.173 4.118 6.969 1.00 0.00 H new ATOM 0 HB2 SER A 70 101.516 7.141 7.419 1.00 0.00 H new ATOM 0 HB3 SER A 70 100.031 6.226 7.594 1.00 0.00 H new ATOM 0 HG SER A 70 101.069 6.615 9.645 1.00 0.00 H new ATOM 963 N ILE A 71 100.391 5.098 4.810 1.00 0.00 N ATOM 964 CA ILE A 71 100.091 5.392 3.375 1.00 0.00 C ATOM 965 C ILE A 71 98.640 5.855 3.254 1.00 0.00 C ATOM 966 O ILE A 71 97.861 5.696 4.177 1.00 0.00 O ATOM 967 CB ILE A 71 100.283 4.069 2.620 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.406 2.974 3.236 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.749 3.645 2.679 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.417 1.742 2.330 1.00 0.00 C ATOM 0 H ILE A 71 99.635 4.630 5.310 1.00 0.00 H new ATOM 0 HA ILE A 71 100.736 6.173 2.973 1.00 0.00 H new ATOM 0 HB ILE A 71 99.990 4.215 1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.775 2.713 4.228 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.386 3.338 3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.878 2.706 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.369 4.414 2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 71 102.048 3.512 3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.793 0.963 2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.028 2.009 1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.438 1.375 2.228 1.00 0.00 H new ATOM 982 N PHE A 72 98.262 6.427 2.135 1.00 0.00 N ATOM 983 CA PHE A 72 96.850 6.890 1.992 1.00 0.00 C ATOM 984 C PHE A 72 96.087 5.969 1.030 1.00 0.00 C ATOM 985 O PHE A 72 96.554 5.666 -0.049 1.00 0.00 O ATOM 986 CB PHE A 72 96.943 8.311 1.429 1.00 0.00 C ATOM 987 CG PHE A 72 97.708 9.192 2.391 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.051 9.771 3.483 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.073 9.427 2.189 1.00 0.00 C ATOM 990 CE1 PHE A 72 97.761 10.587 4.374 1.00 0.00 C ATOM 991 CE2 PHE A 72 99.782 10.243 3.080 1.00 0.00 C ATOM 992 CZ PHE A 72 99.126 10.823 4.172 1.00 0.00 C ATOM 0 H PHE A 72 98.862 6.590 1.327 1.00 0.00 H new ATOM 0 HA PHE A 72 96.312 6.871 2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.441 8.296 0.460 1.00 0.00 H new ATOM 0 HB3 PHE A 72 95.943 8.715 1.268 1.00 0.00 H new ATOM 0 HD1 PHE A 72 95.998 9.589 3.639 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.579 8.979 1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.255 11.034 5.217 1.00 0.00 H new ATOM 0 HE2 PHE A 72 100.835 10.425 2.924 1.00 0.00 H new ATOM 0 HZ PHE A 72 99.673 11.452 4.859 1.00 0.00 H new ATOM 1002 N ILE A 73 94.930 5.507 1.433 1.00 0.00 N ATOM 1003 CA ILE A 73 94.136 4.580 0.563 1.00 0.00 C ATOM 1004 C ILE A 73 92.808 5.226 0.152 1.00 0.00 C ATOM 1005 O ILE A 73 92.074 5.720 0.990 1.00 0.00 O ATOM 1006 CB ILE A 73 93.883 3.341 1.437 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.223 2.712 1.856 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.054 2.310 0.659 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.024 2.288 0.619 1.00 0.00 C ATOM 0 H ILE A 73 94.498 5.731 2.329 1.00 0.00 H new ATOM 0 HA ILE A 73 94.661 4.335 -0.360 1.00 0.00 H new ATOM 0 HB ILE A 73 93.334 3.646 2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 73 95.800 3.427 2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 73 95.042 1.847 2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 73 92.880 1.436 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.098 2.750 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 73 93.595 2.011 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.969 1.845 0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.452 1.557 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 73 96.221 3.161 -0.004 1.00 0.00 H new ATOM 1021 N ARG A 74 92.482 5.218 -1.121 1.00 0.00 N ATOM 1022 CA ARG A 74 91.192 5.818 -1.565 1.00 0.00 C ATOM 1023 C ARG A 74 90.194 4.679 -1.802 1.00 0.00 C ATOM 1024 O ARG A 74 90.535 3.653 -2.362 1.00 0.00 O ATOM 1025 CB ARG A 74 91.526 6.575 -2.852 1.00 0.00 C ATOM 1026 CG ARG A 74 90.351 7.463 -3.257 1.00 0.00 C ATOM 1027 CD ARG A 74 90.705 8.212 -4.547 1.00 0.00 C ATOM 1028 NE ARG A 74 89.622 9.223 -4.725 1.00 0.00 N ATOM 1029 CZ ARG A 74 89.700 10.097 -5.691 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.722 10.904 -5.760 1.00 0.00 N ATOM 1031 NH2 ARG A 74 88.755 10.162 -6.590 1.00 0.00 N1+ ATOM 0 H ARG A 74 93.055 4.822 -1.866 1.00 0.00 H new ATOM 0 HA ARG A 74 90.742 6.495 -0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.418 7.184 -2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.751 5.869 -3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.457 6.857 -3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 74 90.125 8.172 -2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 74 91.681 8.691 -4.469 1.00 0.00 H new ATOM 0 HD3 ARG A 74 90.751 7.531 -5.397 1.00 0.00 H new ATOM 0 HE ARG A 74 88.822 9.231 -4.093 1.00 0.00 H new ATOM 0 HH11 ARG A 74 91.461 10.852 -5.059 1.00 0.00 H new ATOM 0 HH12 ARG A 74 90.782 11.587 -6.515 1.00 0.00 H new ATOM 0 HH21 ARG A 74 87.956 9.530 -6.537 1.00 0.00 H new ATOM 0 HH22 ARG A 74 88.816 10.845 -7.345 1.00 0.00 H new ATOM 1045 N GLY A 75 88.982 4.835 -1.334 1.00 0.00 N ATOM 1046 CA GLY A 75 87.975 3.738 -1.477 1.00 0.00 C ATOM 1047 C GLY A 75 87.686 3.436 -2.944 1.00 0.00 C ATOM 1048 O GLY A 75 87.731 4.302 -3.799 1.00 0.00 O ATOM 0 H GLY A 75 88.646 5.673 -0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.343 2.838 -0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 75 87.051 4.022 -0.974 1.00 0.00 H new ATOM 1052 N VAL A 76 87.364 2.201 -3.219 1.00 0.00 N ATOM 1053 CA VAL A 76 87.040 1.760 -4.601 1.00 0.00 C ATOM 1054 C VAL A 76 86.084 0.551 -4.529 1.00 0.00 C ATOM 1055 O VAL A 76 85.087 0.509 -5.217 1.00 0.00 O ATOM 1056 CB VAL A 76 88.407 1.410 -5.249 1.00 0.00 C ATOM 1057 CG1 VAL A 76 88.895 0.003 -4.861 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.269 1.485 -6.772 1.00 0.00 C ATOM 0 H VAL A 76 87.311 1.460 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 76 86.531 2.518 -5.196 1.00 0.00 H new ATOM 0 HB VAL A 76 89.141 2.129 -4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 76 89.854 -0.194 -5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.010 -0.057 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.167 -0.738 -5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.224 1.241 -7.236 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.512 0.775 -7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 76 87.972 2.493 -7.061 1.00 0.00 H new ATOM 1068 N ASP A 77 86.369 -0.409 -3.681 1.00 0.00 N ATOM 1069 CA ASP A 77 85.481 -1.605 -3.540 1.00 0.00 C ATOM 1070 C ASP A 77 85.158 -1.829 -2.066 1.00 0.00 C ATOM 1071 O ASP A 77 85.755 -1.225 -1.194 1.00 0.00 O ATOM 1072 CB ASP A 77 86.283 -2.786 -4.083 1.00 0.00 C ATOM 1073 CG ASP A 77 85.339 -3.970 -4.334 1.00 0.00 C ATOM 1074 OD1 ASP A 77 84.935 -4.595 -3.367 1.00 0.00 O ATOM 1075 OD2 ASP A 77 85.034 -4.230 -5.487 1.00 0.00 O1- ATOM 0 H ASP A 77 87.189 -0.414 -3.074 1.00 0.00 H new ATOM 0 HA ASP A 77 84.540 -1.480 -4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 77 86.785 -2.504 -5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 77 87.060 -3.070 -3.373 1.00 0.00 H new ATOM 1080 N SER A 78 84.221 -2.695 -1.781 1.00 0.00 N ATOM 1081 CA SER A 78 83.856 -2.967 -0.363 1.00 0.00 C ATOM 1082 C SER A 78 84.443 -4.304 0.083 1.00 0.00 C ATOM 1083 O SER A 78 84.787 -5.144 -0.728 1.00 0.00 O ATOM 1084 CB SER A 78 82.329 -3.018 -0.346 1.00 0.00 C ATOM 1085 OG SER A 78 81.885 -4.067 -1.197 1.00 0.00 O ATOM 0 H SER A 78 83.692 -3.226 -2.473 1.00 0.00 H new ATOM 0 HA SER A 78 84.243 -2.207 0.316 1.00 0.00 H new ATOM 0 HB2 SER A 78 81.970 -3.182 0.670 1.00 0.00 H new ATOM 0 HB3 SER A 78 81.918 -2.065 -0.679 1.00 0.00 H new ATOM 0 HG SER A 78 80.906 -4.104 -1.187 1.00 0.00 H new ATOM 1091 N GLY A 79 84.563 -4.498 1.367 1.00 0.00 N ATOM 1092 CA GLY A 79 85.131 -5.770 1.885 1.00 0.00 C ATOM 1093 C GLY A 79 84.229 -6.325 2.984 1.00 0.00 C ATOM 1094 O GLY A 79 83.501 -5.596 3.632 1.00 0.00 O ATOM 0 H GLY A 79 84.290 -3.825 2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 79 85.223 -6.495 1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 79 86.134 -5.599 2.276 1.00 0.00 H new ATOM 1098 N ARG A 80 84.297 -7.607 3.216 1.00 0.00 N ATOM 1099 CA ARG A 80 83.474 -8.232 4.298 1.00 0.00 C ATOM 1100 C ARG A 80 83.846 -7.597 5.641 1.00 0.00 C ATOM 1101 O ARG A 80 83.013 -7.394 6.504 1.00 0.00 O ATOM 1102 CB ARG A 80 83.862 -9.711 4.280 1.00 0.00 C ATOM 1103 CG ARG A 80 83.314 -10.362 3.008 1.00 0.00 C ATOM 1104 CD ARG A 80 83.758 -11.826 2.945 1.00 0.00 C ATOM 1105 NE ARG A 80 83.168 -12.471 4.153 1.00 0.00 N ATOM 1106 CZ ARG A 80 83.466 -13.709 4.437 1.00 0.00 C ATOM 1107 NH1 ARG A 80 84.704 -14.116 4.359 1.00 0.00 N1+ ATOM 1108 NH2 ARG A 80 82.528 -14.540 4.798 1.00 0.00 N ATOM 0 H ARG A 80 84.891 -8.256 2.700 1.00 0.00 H new ATOM 0 HA ARG A 80 82.403 -8.094 4.153 1.00 0.00 H new ATOM 0 HB2 ARG A 80 84.946 -9.815 4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 80 83.463 -10.214 5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 80 82.226 -10.301 2.997 1.00 0.00 H new ATOM 0 HG3 ARG A 80 83.672 -9.825 2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 80 83.405 -12.305 2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 80 84.845 -11.907 2.947 1.00 0.00 H new ATOM 0 HE ARG A 80 82.534 -11.946 4.755 1.00 0.00 H new ATOM 0 HH11 ARG A 80 85.438 -13.466 4.076 1.00 0.00 H new ATOM 0 HH12 ARG A 80 84.938 -15.084 4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 80 81.561 -14.222 4.858 1.00 0.00 H new ATOM 0 HH22 ARG A 80 82.762 -15.508 5.020 1.00 0.00 H new ATOM 1122 N GLY A 81 85.100 -7.277 5.804 1.00 0.00 N ATOM 1123 CA GLY A 81 85.571 -6.643 7.067 1.00 0.00 C ATOM 1124 C GLY A 81 87.018 -6.192 6.882 1.00 0.00 C ATOM 1125 O GLY A 81 87.620 -6.427 5.852 1.00 0.00 O ATOM 0 H GLY A 81 85.828 -7.430 5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 81 84.940 -5.791 7.320 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.499 -7.350 7.894 1.00 0.00 H new ATOM 1129 N GLY A 82 87.591 -5.564 7.878 1.00 0.00 N ATOM 1130 CA GLY A 82 89.014 -5.114 7.782 1.00 0.00 C ATOM 1131 C GLY A 82 89.264 -4.303 6.504 1.00 0.00 C ATOM 1132 O GLY A 82 88.354 -3.915 5.799 1.00 0.00 O ATOM 0 H GLY A 82 87.130 -5.342 8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.264 -4.508 8.653 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.673 -5.982 7.798 1.00 0.00 H new ATOM 1136 N PHE A 83 90.511 -4.069 6.211 1.00 0.00 N ATOM 1137 CA PHE A 83 90.906 -3.306 4.990 1.00 0.00 C ATOM 1138 C PHE A 83 91.781 -4.193 4.106 1.00 0.00 C ATOM 1139 O PHE A 83 92.643 -4.898 4.594 1.00 0.00 O ATOM 1140 CB PHE A 83 91.741 -2.139 5.521 1.00 0.00 C ATOM 1141 CG PHE A 83 90.857 -1.165 6.260 1.00 0.00 C ATOM 1142 CD1 PHE A 83 90.327 -1.510 7.508 1.00 0.00 C ATOM 1143 CD2 PHE A 83 90.569 0.084 5.698 1.00 0.00 C ATOM 1144 CE1 PHE A 83 89.509 -0.607 8.195 1.00 0.00 C ATOM 1145 CE2 PHE A 83 89.752 0.988 6.385 1.00 0.00 C ATOM 1146 CZ PHE A 83 89.221 0.644 7.634 1.00 0.00 C ATOM 0 H PHE A 83 91.296 -4.383 6.781 1.00 0.00 H new ATOM 0 HA PHE A 83 90.050 -2.976 4.402 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.520 -2.512 6.186 1.00 0.00 H new ATOM 0 HB3 PHE A 83 92.241 -1.634 4.695 1.00 0.00 H new ATOM 0 HD1 PHE A 83 90.550 -2.474 7.941 1.00 0.00 H new ATOM 0 HD2 PHE A 83 90.977 0.350 4.734 1.00 0.00 H new ATOM 0 HE1 PHE A 83 89.099 -0.874 9.158 1.00 0.00 H new ATOM 0 HE2 PHE A 83 89.531 1.952 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 83 88.590 1.342 8.164 1.00 0.00 H new ATOM 1156 N ASN A 84 91.582 -4.151 2.807 1.00 0.00 N ATOM 1157 CA ASN A 84 92.428 -4.985 1.901 1.00 0.00 C ATOM 1158 C ASN A 84 92.987 -4.092 0.791 1.00 0.00 C ATOM 1159 O ASN A 84 92.245 -3.364 0.165 1.00 0.00 O ATOM 1160 CB ASN A 84 91.480 -6.043 1.334 1.00 0.00 C ATOM 1161 CG ASN A 84 92.286 -7.125 0.614 1.00 0.00 C ATOM 1162 OD1 ASN A 84 93.135 -6.828 -0.202 1.00 0.00 O ATOM 1163 ND2 ASN A 84 92.058 -8.380 0.891 1.00 0.00 N ATOM 0 H ASN A 84 90.876 -3.580 2.342 1.00 0.00 H new ATOM 0 HA ASN A 84 93.275 -5.449 2.406 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.893 -6.488 2.138 1.00 0.00 H new ATOM 0 HB3 ASN A 84 90.775 -5.581 0.643 1.00 0.00 H new ATOM 0 HD21 ASN A 84 92.593 -9.111 0.422 1.00 0.00 H new ATOM 0 HD22 ASN A 84 91.345 -8.630 1.576 1.00 0.00 H new ATOM 1170 N VAL A 85 94.276 -4.106 0.558 1.00 0.00 N ATOM 1171 CA VAL A 85 94.842 -3.205 -0.498 1.00 0.00 C ATOM 1172 C VAL A 85 95.765 -3.956 -1.458 1.00 0.00 C ATOM 1173 O VAL A 85 96.091 -5.107 -1.256 1.00 0.00 O ATOM 1174 CB VAL A 85 95.631 -2.135 0.271 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.685 -1.376 1.209 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.754 -2.794 1.093 1.00 0.00 C ATOM 0 H VAL A 85 94.954 -4.693 1.044 1.00 0.00 H new ATOM 0 HA VAL A 85 94.050 -2.782 -1.116 1.00 0.00 H new ATOM 0 HB VAL A 85 96.074 -1.439 -0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.245 -0.617 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 85 93.900 -0.897 0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.236 -2.074 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.307 -2.026 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.320 -3.498 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.431 -3.325 0.424 1.00 0.00 H new ATOM 1186 N ASN A 86 96.189 -3.303 -2.514 1.00 0.00 N ATOM 1187 CA ASN A 86 97.096 -3.973 -3.499 1.00 0.00 C ATOM 1188 C ASN A 86 98.345 -4.503 -2.775 1.00 0.00 C ATOM 1189 O ASN A 86 98.727 -3.971 -1.752 1.00 0.00 O ATOM 1190 CB ASN A 86 97.486 -2.877 -4.495 1.00 0.00 C ATOM 1191 CG ASN A 86 96.278 -2.510 -5.361 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.152 -2.815 -5.020 1.00 0.00 O ATOM 1193 ND2 ASN A 86 96.468 -1.858 -6.475 1.00 0.00 N ATOM 0 H ASN A 86 95.947 -2.337 -2.736 1.00 0.00 H new ATOM 0 HA ASN A 86 96.619 -4.819 -3.994 1.00 0.00 H new ATOM 0 HB2 ASN A 86 97.842 -1.997 -3.960 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.306 -3.221 -5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 86 95.672 -1.604 -7.060 1.00 0.00 H new ATOM 0 HD22 ASN A 86 97.413 -1.602 -6.761 1.00 0.00 H new ATOM 1200 N PRO A 87 98.941 -5.541 -3.316 1.00 0.00 N ATOM 1201 CA PRO A 87 100.144 -6.125 -2.679 1.00 0.00 C ATOM 1202 C PRO A 87 101.306 -5.135 -2.709 1.00 0.00 C ATOM 1203 O PRO A 87 102.212 -5.236 -1.909 1.00 0.00 O ATOM 1204 CB PRO A 87 100.434 -7.373 -3.511 1.00 0.00 C ATOM 1205 CG PRO A 87 99.801 -7.096 -4.835 1.00 0.00 C ATOM 1206 CD PRO A 87 98.582 -6.257 -4.551 1.00 0.00 C ATOM 0 HA PRO A 87 99.997 -6.364 -1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.506 -7.543 -3.611 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.012 -8.265 -3.048 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.491 -6.569 -5.494 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.527 -8.024 -5.337 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.370 -5.567 -5.368 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.693 -6.873 -4.414 1.00 0.00 H new ATOM 1214 N THR A 88 101.290 -4.164 -3.590 1.00 0.00 N ATOM 1215 CA THR A 88 102.403 -3.168 -3.613 1.00 0.00 C ATOM 1216 C THR A 88 102.192 -2.146 -2.492 1.00 0.00 C ATOM 1217 O THR A 88 103.128 -1.755 -1.818 1.00 0.00 O ATOM 1218 CB THR A 88 102.335 -2.509 -4.983 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.405 -3.508 -5.992 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.499 -1.531 -5.147 1.00 0.00 C ATOM 0 H THR A 88 100.560 -4.020 -4.288 1.00 0.00 H new ATOM 0 HA THR A 88 103.380 -3.625 -3.452 1.00 0.00 H new ATOM 0 HB THR A 88 101.396 -1.964 -5.074 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.360 -3.085 -6.875 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.445 -1.062 -6.130 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.441 -0.763 -4.375 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.442 -2.069 -5.053 1.00 0.00 H new ATOM 1228 N ALA A 89 100.970 -1.731 -2.271 1.00 0.00 N ATOM 1229 CA ALA A 89 100.699 -0.757 -1.171 1.00 0.00 C ATOM 1230 C ALA A 89 100.979 -1.442 0.162 1.00 0.00 C ATOM 1231 O ALA A 89 101.544 -0.859 1.068 1.00 0.00 O ATOM 1232 CB ALA A 89 99.216 -0.391 -1.296 1.00 0.00 C ATOM 0 H ALA A 89 100.151 -2.024 -2.803 1.00 0.00 H new ATOM 0 HA ALA A 89 101.322 0.135 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 89 98.950 0.323 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.032 0.055 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 89 98.609 -1.290 -1.187 1.00 0.00 H new ATOM 1238 N PHE A 90 100.601 -2.685 0.275 1.00 0.00 N ATOM 1239 CA PHE A 90 100.855 -3.440 1.542 1.00 0.00 C ATOM 1240 C PHE A 90 102.358 -3.504 1.835 1.00 0.00 C ATOM 1241 O PHE A 90 102.797 -3.229 2.935 1.00 0.00 O ATOM 1242 CB PHE A 90 100.316 -4.850 1.292 1.00 0.00 C ATOM 1243 CG PHE A 90 100.394 -5.647 2.574 1.00 0.00 C ATOM 1244 CD1 PHE A 90 101.558 -6.360 2.890 1.00 0.00 C ATOM 1245 CD2 PHE A 90 99.304 -5.663 3.451 1.00 0.00 C ATOM 1246 CE1 PHE A 90 101.629 -7.090 4.083 1.00 0.00 C ATOM 1247 CE2 PHE A 90 99.376 -6.392 4.644 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.538 -7.106 4.960 1.00 0.00 C ATOM 0 H PHE A 90 100.126 -3.215 -0.455 1.00 0.00 H new ATOM 0 HA PHE A 90 100.376 -2.961 2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.285 -4.801 0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.895 -5.340 0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.400 -6.347 2.214 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.407 -5.113 3.208 1.00 0.00 H new ATOM 0 HE1 PHE A 90 102.526 -7.641 4.326 1.00 0.00 H new ATOM 0 HE2 PHE A 90 98.535 -6.404 5.321 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.593 -7.669 5.880 1.00 0.00 H new ATOM 1258 N THR A 91 103.141 -3.894 0.863 1.00 0.00 N ATOM 1259 CA THR A 91 104.618 -4.015 1.077 1.00 0.00 C ATOM 1260 C THR A 91 105.218 -2.665 1.479 1.00 0.00 C ATOM 1261 O THR A 91 106.111 -2.593 2.294 1.00 0.00 O ATOM 1262 CB THR A 91 105.191 -4.470 -0.269 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.590 -5.697 -0.644 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.698 -4.685 -0.133 1.00 0.00 C ATOM 0 H THR A 91 102.821 -4.136 -0.075 1.00 0.00 H new ATOM 0 HA THR A 91 104.851 -4.717 1.878 1.00 0.00 H new ATOM 0 HB THR A 91 104.990 -3.709 -1.023 1.00 0.00 H new ATOM 0 HG1 THR A 91 103.762 -5.519 -1.137 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.107 -5.009 -1.090 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.173 -3.751 0.167 1.00 0.00 H new ATOM 0 HG23 THR A 91 106.890 -5.449 0.621 1.00 0.00 H new ATOM 1272 N LYS A 92 104.746 -1.604 0.888 1.00 0.00 N ATOM 1273 CA LYS A 92 105.301 -0.258 1.229 1.00 0.00 C ATOM 1274 C LYS A 92 104.899 0.162 2.642 1.00 0.00 C ATOM 1275 O LYS A 92 105.682 0.745 3.369 1.00 0.00 O ATOM 1276 CB LYS A 92 104.713 0.708 0.208 1.00 0.00 C ATOM 1277 CG LYS A 92 105.319 0.440 -1.170 1.00 0.00 C ATOM 1278 CD LYS A 92 104.718 1.417 -2.183 1.00 0.00 C ATOM 1279 CE LYS A 92 105.317 1.158 -3.567 1.00 0.00 C ATOM 1280 NZ LYS A 92 106.645 1.834 -3.542 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.005 -1.606 0.187 1.00 0.00 H new ATOM 0 HA LYS A 92 106.391 -0.267 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 92 103.630 0.593 0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 92 104.913 1.736 0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.402 0.556 -1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.119 -0.587 -1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 92 103.635 1.300 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 92 104.918 2.443 -1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 92 105.421 0.090 -3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 92 104.682 1.563 -4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 106.622 2.667 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 106.864 2.134 -2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 107.377 1.174 -3.874 1.00 0.00 H new ATOM 1294 N LEU A 93 103.682 -0.115 3.031 1.00 0.00 N ATOM 1295 CA LEU A 93 103.225 0.289 4.397 1.00 0.00 C ATOM 1296 C LEU A 93 103.915 -0.543 5.483 1.00 0.00 C ATOM 1297 O LEU A 93 104.322 -0.018 6.504 1.00 0.00 O ATOM 1298 CB LEU A 93 101.714 0.034 4.399 1.00 0.00 C ATOM 1299 CG LEU A 93 101.121 0.379 5.770 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.263 1.882 6.042 1.00 0.00 C ATOM 1301 CD2 LEU A 93 99.642 -0.015 5.791 1.00 0.00 C ATOM 0 H LEU A 93 102.986 -0.601 2.466 1.00 0.00 H new ATOM 0 HA LEU A 93 103.470 1.329 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.235 0.635 3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.514 -1.011 4.160 1.00 0.00 H new ATOM 0 HG LEU A 93 101.657 -0.169 6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 93 100.839 2.117 7.018 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.318 2.156 6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.733 2.443 5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.215 0.228 6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.109 0.532 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.548 -1.086 5.611 1.00 0.00 H new ATOM 1313 N VAL A 94 104.018 -1.831 5.295 1.00 0.00 N ATOM 1314 CA VAL A 94 104.646 -2.699 6.345 1.00 0.00 C ATOM 1315 C VAL A 94 106.116 -2.984 6.030 1.00 0.00 C ATOM 1316 O VAL A 94 106.956 -2.992 6.911 1.00 0.00 O ATOM 1317 CB VAL A 94 103.820 -3.991 6.328 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.378 -4.981 7.357 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.358 -3.671 6.672 1.00 0.00 C ATOM 0 H VAL A 94 103.696 -2.324 4.462 1.00 0.00 H new ATOM 0 HA VAL A 94 104.642 -2.219 7.323 1.00 0.00 H new ATOM 0 HB VAL A 94 103.874 -4.435 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 94 103.786 -5.896 7.339 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.414 -5.214 7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.331 -4.537 8.352 1.00 0.00 H new ATOM 0 HG21 VAL A 94 101.772 -4.590 6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.308 -3.222 7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 94 101.955 -2.974 5.937 1.00 0.00 H new ATOM 1329 N GLY A 95 106.428 -3.213 4.788 1.00 0.00 N ATOM 1330 CA GLY A 95 107.839 -3.495 4.399 1.00 0.00 C ATOM 1331 C GLY A 95 107.931 -4.879 3.755 1.00 0.00 C ATOM 1332 O GLY A 95 108.710 -5.093 2.845 1.00 0.00 O ATOM 0 H GLY A 95 105.761 -3.217 4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.193 -2.735 3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.484 -3.448 5.276 1.00 0.00 H new ATOM 1336 N SER A 96 107.146 -5.818 4.219 1.00 0.00 N ATOM 1337 CA SER A 96 107.194 -7.191 3.633 1.00 0.00 C ATOM 1338 C SER A 96 105.785 -7.781 3.507 1.00 0.00 C ATOM 1339 O SER A 96 104.904 -7.471 4.287 1.00 0.00 O ATOM 1340 CB SER A 96 108.029 -8.007 4.614 1.00 0.00 C ATOM 1341 OG SER A 96 109.372 -7.543 4.586 1.00 0.00 O ATOM 0 H SER A 96 106.475 -5.693 4.977 1.00 0.00 H new ATOM 0 HA SER A 96 107.619 -7.190 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 96 107.621 -7.915 5.621 1.00 0.00 H new ATOM 0 HB3 SER A 96 107.992 -9.064 4.350 1.00 0.00 H new ATOM 0 HG SER A 96 109.911 -8.064 5.217 1.00 0.00 H new ATOM 1347 N THR A 97 105.574 -8.644 2.542 1.00 0.00 N ATOM 1348 CA THR A 97 104.225 -9.272 2.377 1.00 0.00 C ATOM 1349 C THR A 97 104.126 -10.569 3.201 1.00 0.00 C ATOM 1350 O THR A 97 103.134 -11.271 3.147 1.00 0.00 O ATOM 1351 CB THR A 97 104.094 -9.586 0.881 1.00 0.00 C ATOM 1352 OG1 THR A 97 105.107 -10.508 0.501 1.00 0.00 O ATOM 1353 CG2 THR A 97 104.239 -8.305 0.057 1.00 0.00 C ATOM 0 H THR A 97 106.276 -8.940 1.863 1.00 0.00 H new ATOM 0 HA THR A 97 103.432 -8.610 2.725 1.00 0.00 H new ATOM 0 HB THR A 97 103.111 -10.019 0.695 1.00 0.00 H new ATOM 0 HG1 THR A 97 105.023 -10.711 -0.454 1.00 0.00 H new ATOM 0 HG21 THR A 97 104.144 -8.541 -1.003 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.459 -7.599 0.342 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.217 -7.861 0.244 1.00 0.00 H new ATOM 1361 N GLU A 98 105.148 -10.888 3.954 1.00 0.00 N ATOM 1362 CA GLU A 98 105.135 -12.137 4.780 1.00 0.00 C ATOM 1363 C GLU A 98 104.144 -12.016 5.939 1.00 0.00 C ATOM 1364 O GLU A 98 103.610 -13.003 6.411 1.00 0.00 O ATOM 1365 CB GLU A 98 106.558 -12.277 5.320 1.00 0.00 C ATOM 1366 CG GLU A 98 107.509 -12.635 4.179 1.00 0.00 C ATOM 1367 CD GLU A 98 108.931 -12.772 4.723 1.00 0.00 C ATOM 1368 OE1 GLU A 98 109.636 -11.776 4.742 1.00 0.00 O ATOM 1369 OE2 GLU A 98 109.292 -13.870 5.114 1.00 0.00 O1- ATOM 0 H GLU A 98 106.000 -10.332 4.034 1.00 0.00 H new ATOM 0 HA GLU A 98 104.828 -13.001 4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 98 106.872 -11.345 5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.591 -13.048 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 98 107.196 -13.568 3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 98 107.476 -11.865 3.409 1.00 0.00 H new ATOM 1376 N ALA A 99 103.905 -10.818 6.411 1.00 0.00 N ATOM 1377 CA ALA A 99 102.959 -10.633 7.556 1.00 0.00 C ATOM 1378 C ALA A 99 101.573 -11.166 7.194 1.00 0.00 C ATOM 1379 O ALA A 99 100.911 -11.784 8.007 1.00 0.00 O ATOM 1380 CB ALA A 99 102.906 -9.123 7.797 1.00 0.00 C ATOM 0 H ALA A 99 104.324 -9.959 6.053 1.00 0.00 H new ATOM 0 HA ALA A 99 103.285 -11.174 8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.230 -8.910 8.625 1.00 0.00 H new ATOM 0 HB2 ALA A 99 103.904 -8.758 8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.547 -8.623 6.897 1.00 0.00 H new ATOM 1386 N GLY A 100 101.134 -10.938 5.982 1.00 0.00 N ATOM 1387 CA GLY A 100 99.791 -11.434 5.566 1.00 0.00 C ATOM 1388 C GLY A 100 98.716 -10.479 6.080 1.00 0.00 C ATOM 1389 O GLY A 100 98.208 -9.649 5.349 1.00 0.00 O ATOM 0 H GLY A 100 101.649 -10.429 5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.739 -11.507 4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.622 -12.436 5.962 1.00 0.00 H new ATOM 1393 N ARG A 101 98.369 -10.592 7.335 1.00 0.00 N ATOM 1394 CA ARG A 101 97.329 -9.698 7.916 1.00 0.00 C ATOM 1395 C ARG A 101 97.836 -9.073 9.218 1.00 0.00 C ATOM 1396 O ARG A 101 98.366 -9.759 10.073 1.00 0.00 O ATOM 1397 CB ARG A 101 96.138 -10.605 8.190 1.00 0.00 C ATOM 1398 CG ARG A 101 94.927 -9.752 8.555 1.00 0.00 C ATOM 1399 CD ARG A 101 93.758 -10.661 8.924 1.00 0.00 C ATOM 1400 NE ARG A 101 93.468 -11.460 7.698 1.00 0.00 N ATOM 1401 CZ ARG A 101 92.557 -12.395 7.732 1.00 0.00 C ATOM 1402 NH1 ARG A 101 91.292 -12.075 7.697 1.00 0.00 N1+ ATOM 1403 NH2 ARG A 101 92.910 -13.650 7.803 1.00 0.00 N ATOM 0 H ARG A 101 98.765 -11.270 7.985 1.00 0.00 H new ATOM 0 HA ARG A 101 97.071 -8.876 7.248 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.918 -11.211 7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 101 96.370 -11.294 9.002 1.00 0.00 H new ATOM 0 HG2 ARG A 101 95.169 -9.096 9.391 1.00 0.00 H new ATOM 0 HG3 ARG A 101 94.653 -9.112 7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 101 94.015 -11.309 9.762 1.00 0.00 H new ATOM 0 HD3 ARG A 101 92.888 -10.078 9.226 1.00 0.00 H new ATOM 0 HE ARG A 101 93.980 -11.276 6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 101 91.015 -11.095 7.643 1.00 0.00 H new ATOM 0 HH12 ARG A 101 90.580 -12.805 7.724 1.00 0.00 H new ATOM 0 HH21 ARG A 101 93.898 -13.901 7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 101 92.198 -14.379 7.830 1.00 0.00 H new ATOM 1417 N VAL A 102 97.677 -7.781 9.380 1.00 0.00 N ATOM 1418 CA VAL A 102 98.153 -7.124 10.637 1.00 0.00 C ATOM 1419 C VAL A 102 96.977 -6.472 11.374 1.00 0.00 C ATOM 1420 O VAL A 102 96.302 -5.606 10.850 1.00 0.00 O ATOM 1421 CB VAL A 102 99.165 -6.068 10.181 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.722 -5.324 11.398 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.317 -6.750 9.439 1.00 0.00 C ATOM 0 H VAL A 102 97.241 -7.157 8.701 1.00 0.00 H new ATOM 0 HA VAL A 102 98.601 -7.836 11.330 1.00 0.00 H new ATOM 0 HB VAL A 102 98.668 -5.360 9.518 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.441 -4.574 11.068 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.906 -4.835 11.930 1.00 0.00 H new ATOM 0 HG13 VAL A 102 100.216 -6.033 12.063 1.00 0.00 H new ATOM 0 HG21 VAL A 102 101.037 -5.998 9.115 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.809 -7.460 10.104 1.00 0.00 H new ATOM 0 HG23 VAL A 102 99.927 -7.278 8.569 1.00 0.00 H new ATOM 1433 N ASP A 103 96.731 -6.897 12.584 1.00 0.00 N ATOM 1434 CA ASP A 103 95.601 -6.331 13.377 1.00 0.00 C ATOM 1435 C ASP A 103 96.029 -5.052 14.100 1.00 0.00 C ATOM 1436 O ASP A 103 97.186 -4.680 14.098 1.00 0.00 O ATOM 1437 CB ASP A 103 95.235 -7.427 14.378 1.00 0.00 C ATOM 1438 CG ASP A 103 93.842 -7.164 14.953 1.00 0.00 C ATOM 1439 OD1 ASP A 103 93.729 -6.304 15.812 1.00 0.00 O1- ATOM 1440 OD2 ASP A 103 92.912 -7.829 14.529 1.00 0.00 O ATOM 0 H ASP A 103 97.270 -7.619 13.062 1.00 0.00 H new ATOM 0 HA ASP A 103 94.756 -6.055 12.746 1.00 0.00 H new ATOM 0 HB2 ASP A 103 95.258 -8.401 13.889 1.00 0.00 H new ATOM 0 HB3 ASP A 103 95.970 -7.457 15.182 1.00 0.00 H new ATOM 1445 N ASN A 104 95.086 -4.384 14.718 1.00 0.00 N ATOM 1446 CA ASN A 104 95.373 -3.122 15.475 1.00 0.00 C ATOM 1447 C ASN A 104 95.966 -2.042 14.565 1.00 0.00 C ATOM 1448 O ASN A 104 96.856 -1.310 14.956 1.00 0.00 O ATOM 1449 CB ASN A 104 96.362 -3.502 16.586 1.00 0.00 C ATOM 1450 CG ASN A 104 95.664 -4.413 17.598 1.00 0.00 C ATOM 1451 OD1 ASN A 104 94.470 -4.316 17.798 1.00 0.00 O ATOM 1452 ND2 ASN A 104 96.362 -5.307 18.242 1.00 0.00 N ATOM 0 H ASN A 104 94.106 -4.666 14.730 1.00 0.00 H new ATOM 0 HA ASN A 104 94.455 -2.702 15.885 1.00 0.00 H new ATOM 0 HB2 ASN A 104 97.227 -4.009 16.160 1.00 0.00 H new ATOM 0 HB3 ASN A 104 96.731 -2.604 17.082 1.00 0.00 H new ATOM 0 HD21 ASN A 104 95.905 -5.924 18.913 1.00 0.00 H new ATOM 0 HD22 ASN A 104 97.365 -5.389 18.074 1.00 0.00 H new ATOM 1459 N VAL A 105 95.462 -1.932 13.365 1.00 0.00 N ATOM 1460 CA VAL A 105 95.982 -0.886 12.433 1.00 0.00 C ATOM 1461 C VAL A 105 95.222 0.418 12.675 1.00 0.00 C ATOM 1462 O VAL A 105 94.010 0.454 12.576 1.00 0.00 O ATOM 1463 CB VAL A 105 95.714 -1.409 11.020 1.00 0.00 C ATOM 1464 CG1 VAL A 105 96.217 -0.394 9.987 1.00 0.00 C ATOM 1465 CG2 VAL A 105 96.436 -2.748 10.821 1.00 0.00 C ATOM 0 H VAL A 105 94.716 -2.518 12.990 1.00 0.00 H new ATOM 0 HA VAL A 105 97.044 -0.690 12.580 1.00 0.00 H new ATOM 0 HB VAL A 105 94.642 -1.553 10.888 1.00 0.00 H new ATOM 0 HG11 VAL A 105 96.024 -0.771 8.983 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.697 0.554 10.125 1.00 0.00 H new ATOM 0 HG13 VAL A 105 97.288 -0.242 10.118 1.00 0.00 H new ATOM 0 HG21 VAL A 105 96.244 -3.119 9.814 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.508 -2.607 10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 105 96.070 -3.471 11.550 1.00 0.00 H new ATOM 1475 N ASN A 106 95.914 1.487 12.993 1.00 0.00 N ATOM 1476 CA ASN A 106 95.196 2.772 13.238 1.00 0.00 C ATOM 1477 C ASN A 106 94.905 3.453 11.904 1.00 0.00 C ATOM 1478 O ASN A 106 95.746 3.525 11.027 1.00 0.00 O ATOM 1479 CB ASN A 106 96.112 3.614 14.127 1.00 0.00 C ATOM 1480 CG ASN A 106 95.363 4.856 14.624 1.00 0.00 C ATOM 1481 OD1 ASN A 106 94.158 4.953 14.489 1.00 0.00 O ATOM 1482 ND2 ASN A 106 96.032 5.817 15.200 1.00 0.00 N ATOM 0 H ASN A 106 96.929 1.523 13.092 1.00 0.00 H new ATOM 0 HA ASN A 106 94.235 2.625 13.732 1.00 0.00 H new ATOM 0 HB2 ASN A 106 96.454 3.021 14.976 1.00 0.00 H new ATOM 0 HB3 ASN A 106 96.999 3.913 13.569 1.00 0.00 H new ATOM 0 HD21 ASN A 106 95.544 6.648 15.536 1.00 0.00 H new ATOM 0 HD22 ASN A 106 97.042 5.738 15.314 1.00 0.00 H new ATOM 1489 N TYR A 107 93.703 3.932 11.749 1.00 0.00 N ATOM 1490 CA TYR A 107 93.304 4.594 10.475 1.00 0.00 C ATOM 1491 C TYR A 107 92.512 5.879 10.739 1.00 0.00 C ATOM 1492 O TYR A 107 91.716 5.954 11.655 1.00 0.00 O ATOM 1493 CB TYR A 107 92.424 3.559 9.760 1.00 0.00 C ATOM 1494 CG TYR A 107 91.239 3.178 10.619 1.00 0.00 C ATOM 1495 CD1 TYR A 107 91.368 2.160 11.570 1.00 0.00 C ATOM 1496 CD2 TYR A 107 90.015 3.833 10.455 1.00 0.00 C ATOM 1497 CE1 TYR A 107 90.271 1.796 12.360 1.00 0.00 C ATOM 1498 CE2 TYR A 107 88.917 3.472 11.246 1.00 0.00 C ATOM 1499 CZ TYR A 107 89.045 2.453 12.197 1.00 0.00 C ATOM 1500 OH TYR A 107 87.962 2.095 12.975 1.00 0.00 O ATOM 0 H TYR A 107 92.971 3.893 12.459 1.00 0.00 H new ATOM 0 HA TYR A 107 94.171 4.889 9.883 1.00 0.00 H new ATOM 0 HB2 TYR A 107 92.075 3.965 8.811 1.00 0.00 H new ATOM 0 HB3 TYR A 107 93.013 2.671 9.530 1.00 0.00 H new ATOM 0 HD1 TYR A 107 92.314 1.655 11.695 1.00 0.00 H new ATOM 0 HD2 TYR A 107 89.916 4.617 9.719 1.00 0.00 H new ATOM 0 HE1 TYR A 107 90.370 1.010 13.094 1.00 0.00 H new ATOM 0 HE2 TYR A 107 87.972 3.980 11.122 1.00 0.00 H new ATOM 0 HH TYR A 107 87.190 2.649 12.736 1.00 0.00 H new ATOM 1510 N VAL A 108 92.728 6.886 9.930 1.00 0.00 N ATOM 1511 CA VAL A 108 91.993 8.175 10.111 1.00 0.00 C ATOM 1512 C VAL A 108 91.680 8.801 8.748 1.00 0.00 C ATOM 1513 O VAL A 108 92.493 8.784 7.843 1.00 0.00 O ATOM 1514 CB VAL A 108 92.931 9.077 10.920 1.00 0.00 C ATOM 1515 CG1 VAL A 108 93.167 8.462 12.300 1.00 0.00 C ATOM 1516 CG2 VAL A 108 94.272 9.225 10.191 1.00 0.00 C ATOM 0 H VAL A 108 93.384 6.870 9.149 1.00 0.00 H new ATOM 0 HA VAL A 108 91.041 8.032 10.622 1.00 0.00 H new ATOM 0 HB VAL A 108 92.473 10.060 11.031 1.00 0.00 H new ATOM 0 HG11 VAL A 108 93.834 9.104 12.875 1.00 0.00 H new ATOM 0 HG12 VAL A 108 92.216 8.366 12.823 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.620 7.477 12.187 1.00 0.00 H new ATOM 0 HG21 VAL A 108 94.933 9.868 10.772 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.732 8.244 10.072 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.106 9.669 9.210 1.00 0.00 H new ATOM 1526 N GLN A 109 90.508 9.362 8.605 1.00 0.00 N ATOM 1527 CA GLN A 109 90.122 10.007 7.312 1.00 0.00 C ATOM 1528 C GLN A 109 90.903 11.308 7.110 1.00 0.00 C ATOM 1529 O GLN A 109 91.104 12.070 8.038 1.00 0.00 O ATOM 1530 CB GLN A 109 88.627 10.308 7.446 1.00 0.00 C ATOM 1531 CG GLN A 109 88.108 10.977 6.172 1.00 0.00 C ATOM 1532 CD GLN A 109 86.631 11.331 6.350 1.00 0.00 C ATOM 1533 OE1 GLN A 109 86.210 11.704 7.427 1.00 0.00 O ATOM 1534 NE2 GLN A 109 85.822 11.239 5.331 1.00 0.00 N ATOM 0 H GLN A 109 89.795 9.402 9.333 1.00 0.00 H new ATOM 0 HA GLN A 109 90.339 9.366 6.458 1.00 0.00 H new ATOM 0 HB2 GLN A 109 88.078 9.385 7.631 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.455 10.959 8.303 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.686 11.876 5.959 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.233 10.309 5.320 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.175 10.926 4.427 1.00 0.00 H new ATOM 0 HE22 GLN A 109 84.837 11.480 5.439 1.00 0.00 H new ATOM 1543 N VAL A 110 91.322 11.574 5.899 1.00 0.00 N ATOM 1544 CA VAL A 110 92.065 12.836 5.627 1.00 0.00 C ATOM 1545 C VAL A 110 91.553 13.472 4.326 1.00 0.00 C ATOM 1546 O VAL A 110 90.744 12.895 3.624 1.00 0.00 O ATOM 1547 CB VAL A 110 93.545 12.444 5.519 1.00 0.00 C ATOM 1548 CG1 VAL A 110 94.003 11.809 6.833 1.00 0.00 C ATOM 1549 CG2 VAL A 110 93.747 11.444 4.379 1.00 0.00 C ATOM 0 H VAL A 110 91.181 10.971 5.089 1.00 0.00 H new ATOM 0 HA VAL A 110 91.923 13.575 6.416 1.00 0.00 H new ATOM 0 HB VAL A 110 94.132 13.340 5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.054 11.531 6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.876 12.523 7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.406 10.920 7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 110 94.801 11.175 4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.155 10.549 4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.429 11.895 3.439 1.00 0.00 H new ATOM 1559 N ASP A 111 92.006 14.658 4.010 1.00 0.00 N ATOM 1560 CA ASP A 111 91.535 15.344 2.761 1.00 0.00 C ATOM 1561 C ASP A 111 91.896 14.521 1.517 1.00 0.00 C ATOM 1562 O ASP A 111 92.886 13.815 1.492 1.00 0.00 O ATOM 1563 CB ASP A 111 92.267 16.691 2.742 1.00 0.00 C ATOM 1564 CG ASP A 111 91.581 17.648 1.760 1.00 0.00 C ATOM 1565 OD1 ASP A 111 90.927 17.171 0.846 1.00 0.00 O ATOM 1566 OD2 ASP A 111 91.721 18.846 1.941 1.00 0.00 O1- ATOM 0 H ASP A 111 92.683 15.185 4.562 1.00 0.00 H new ATOM 0 HA ASP A 111 90.452 15.465 2.751 1.00 0.00 H new ATOM 0 HB2 ASP A 111 92.272 17.125 3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 111 93.308 16.544 2.453 1.00 0.00 H new ATOM 1571 N LEU A 112 91.094 14.613 0.482 1.00 0.00 N ATOM 1572 CA LEU A 112 91.373 13.847 -0.777 1.00 0.00 C ATOM 1573 C LEU A 112 92.727 14.244 -1.365 1.00 0.00 C ATOM 1574 O LEU A 112 93.451 13.415 -1.882 1.00 0.00 O ATOM 1575 CB LEU A 112 90.254 14.232 -1.748 1.00 0.00 C ATOM 1576 CG LEU A 112 90.447 13.495 -3.081 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.095 13.254 -3.751 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.321 14.347 -4.005 1.00 0.00 C ATOM 0 H LEU A 112 90.253 15.189 0.455 1.00 0.00 H new ATOM 0 HA LEU A 112 91.406 12.774 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.284 13.979 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.258 15.309 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 112 90.927 12.535 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.245 12.731 -4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 112 88.467 12.649 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 112 88.607 14.210 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.461 13.828 -4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 112 90.834 15.306 -4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.291 14.515 -3.536 1.00 0.00 H new ATOM 1590 N SER A 113 93.062 15.508 -1.317 1.00 0.00 N ATOM 1591 CA SER A 113 94.361 15.967 -1.906 1.00 0.00 C ATOM 1592 C SER A 113 95.522 15.155 -1.325 1.00 0.00 C ATOM 1593 O SER A 113 96.445 14.800 -2.027 1.00 0.00 O ATOM 1594 CB SER A 113 94.484 17.437 -1.512 1.00 0.00 C ATOM 1595 OG SER A 113 93.489 18.191 -2.192 1.00 0.00 O ATOM 0 H SER A 113 92.494 16.243 -0.896 1.00 0.00 H new ATOM 0 HA SER A 113 94.391 15.835 -2.988 1.00 0.00 H new ATOM 0 HB2 SER A 113 94.367 17.547 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 113 95.476 17.811 -1.765 1.00 0.00 H new ATOM 0 HG SER A 113 93.564 19.135 -1.940 1.00 0.00 H new ATOM 1601 N ASN A 114 95.476 14.860 -0.056 1.00 0.00 N ATOM 1602 CA ASN A 114 96.569 14.059 0.581 1.00 0.00 C ATOM 1603 C ASN A 114 96.693 12.679 -0.076 1.00 0.00 C ATOM 1604 O ASN A 114 97.782 12.185 -0.283 1.00 0.00 O ATOM 1605 CB ASN A 114 96.182 13.927 2.054 1.00 0.00 C ATOM 1606 CG ASN A 114 96.341 15.282 2.751 1.00 0.00 C ATOM 1607 OD1 ASN A 114 97.069 16.137 2.285 1.00 0.00 O ATOM 1608 ND2 ASN A 114 95.688 15.516 3.855 1.00 0.00 N ATOM 0 H ASN A 114 94.725 15.139 0.575 1.00 0.00 H new ATOM 0 HA ASN A 114 97.538 14.544 0.463 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.152 13.581 2.140 1.00 0.00 H new ATOM 0 HB3 ASN A 114 96.811 13.181 2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 114 95.788 16.415 4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 114 95.077 14.800 4.248 1.00 0.00 H new ATOM 1615 N CYS A 115 95.589 12.057 -0.413 1.00 0.00 N ATOM 1616 CA CYS A 115 95.654 10.711 -1.073 1.00 0.00 C ATOM 1617 C CYS A 115 96.426 10.809 -2.389 1.00 0.00 C ATOM 1618 O CYS A 115 97.314 10.023 -2.662 1.00 0.00 O ATOM 1619 CB CYS A 115 94.197 10.319 -1.356 1.00 0.00 C ATOM 1620 SG CYS A 115 93.617 9.145 -0.105 1.00 0.00 S ATOM 0 H CYS A 115 94.648 12.420 -0.261 1.00 0.00 H new ATOM 0 HA CYS A 115 96.160 9.978 -0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 115 93.566 11.208 -1.353 1.00 0.00 H new ATOM 0 HB3 CYS A 115 94.117 9.875 -2.348 1.00 0.00 H new ATOM 1625 N ILE A 116 96.077 11.762 -3.210 1.00 0.00 N ATOM 1626 CA ILE A 116 96.768 11.917 -4.527 1.00 0.00 C ATOM 1627 C ILE A 116 98.207 12.406 -4.326 1.00 0.00 C ATOM 1628 O ILE A 116 99.116 11.961 -5.001 1.00 0.00 O ATOM 1629 CB ILE A 116 95.935 12.949 -5.297 1.00 0.00 C ATOM 1630 CG1 ILE A 116 94.506 12.430 -5.471 1.00 0.00 C ATOM 1631 CG2 ILE A 116 96.544 13.190 -6.678 1.00 0.00 C ATOM 1632 CD1 ILE A 116 93.619 13.552 -6.014 1.00 0.00 C ATOM 0 H ILE A 116 95.341 12.444 -3.027 1.00 0.00 H new ATOM 0 HA ILE A 116 96.839 10.974 -5.068 1.00 0.00 H new ATOM 0 HB ILE A 116 95.926 13.882 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 116 94.497 11.581 -6.155 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.118 12.075 -4.516 1.00 0.00 H new ATOM 0 HG21 ILE A 116 95.945 13.924 -7.217 1.00 0.00 H new ATOM 0 HG22 ILE A 116 97.562 13.563 -6.567 1.00 0.00 H new ATOM 0 HG23 ILE A 116 96.560 12.254 -7.237 1.00 0.00 H new ATOM 0 HD11 ILE A 116 92.601 13.183 -6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 116 93.619 14.387 -5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 116 94.004 13.886 -6.977 1.00 0.00 H new ATOM 1644 N ASN A 117 98.422 13.315 -3.408 1.00 0.00 N ATOM 1645 CA ASN A 117 99.808 13.828 -3.170 1.00 0.00 C ATOM 1646 C ASN A 117 100.712 12.701 -2.658 1.00 0.00 C ATOM 1647 O ASN A 117 101.860 12.592 -3.043 1.00 0.00 O ATOM 1648 CB ASN A 117 99.660 14.920 -2.109 1.00 0.00 C ATOM 1649 CG ASN A 117 98.948 16.133 -2.713 1.00 0.00 C ATOM 1650 OD1 ASN A 117 98.943 16.315 -3.915 1.00 0.00 O ATOM 1651 ND2 ASN A 117 98.342 16.980 -1.924 1.00 0.00 N ATOM 0 H ASN A 117 97.700 13.724 -2.814 1.00 0.00 H new ATOM 0 HA ASN A 117 100.263 14.211 -4.083 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.094 14.540 -1.259 1.00 0.00 H new ATOM 0 HB3 ASN A 117 100.641 15.212 -1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 117 97.866 17.792 -2.317 1.00 0.00 H new ATOM 0 HD22 ASN A 117 98.345 16.829 -0.915 1.00 0.00 H new ATOM 1658 N GLY A 118 100.195 11.866 -1.796 1.00 0.00 N ATOM 1659 CA GLY A 118 101.008 10.740 -1.250 1.00 0.00 C ATOM 1660 C GLY A 118 101.269 9.714 -2.352 1.00 0.00 C ATOM 1661 O GLY A 118 102.351 9.165 -2.458 1.00 0.00 O ATOM 0 H GLY A 118 99.239 11.916 -1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 118 101.953 11.117 -0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 118 100.484 10.270 -0.418 1.00 0.00 H new ATOM 1665 N ALA A 119 100.283 9.451 -3.172 1.00 0.00 N ATOM 1666 CA ALA A 119 100.463 8.456 -4.274 1.00 0.00 C ATOM 1667 C ALA A 119 101.586 8.902 -5.213 1.00 0.00 C ATOM 1668 O ALA A 119 102.379 8.099 -5.669 1.00 0.00 O ATOM 1669 CB ALA A 119 99.123 8.425 -5.013 1.00 0.00 C ATOM 0 H ALA A 119 99.360 9.883 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 119 100.738 7.471 -3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.179 7.715 -5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.335 8.120 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 119 98.900 9.418 -5.404 1.00 0.00 H new ATOM 1675 N ASN A 120 101.658 10.177 -5.500 1.00 0.00 N ATOM 1676 CA ASN A 120 102.729 10.685 -6.408 1.00 0.00 C ATOM 1677 C ASN A 120 104.063 10.761 -5.661 1.00 0.00 C ATOM 1678 O ASN A 120 105.042 10.253 -6.183 1.00 0.00 O ATOM 1679 CB ASN A 120 102.271 12.080 -6.829 1.00 0.00 C ATOM 1680 CG ASN A 120 103.258 12.655 -7.848 1.00 0.00 C ATOM 1681 OD1 ASN A 120 104.216 13.306 -7.482 1.00 0.00 O ATOM 1682 ND2 ASN A 120 103.062 12.438 -9.120 1.00 0.00 N ATOM 1683 OXT ASN A 120 104.083 11.327 -4.581 1.00 0.00 O ATOM 0 H ASN A 120 101.020 10.889 -5.144 1.00 0.00 H new ATOM 0 HA ASN A 120 102.882 10.032 -7.268 1.00 0.00 H new ATOM 0 HB2 ASN A 120 101.272 12.031 -7.262 1.00 0.00 H new ATOM 0 HB3 ASN A 120 102.209 12.733 -5.958 1.00 0.00 H new ATOM 0 HD21 ASN A 120 103.714 12.815 -9.808 1.00 0.00 H new ATOM 0 HD22 ASN A 120 102.257 11.891 -9.426 1.00 0.00 H new