USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 832 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 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 28 LYS NZ :NH3+ -167:sc= -0.364 (180deg=0) USER MOD Set 1.3: A 75 ASN : amide:sc= -0.617 K(o=-0.98,f=-1.7) USER MOD Set 2.1: A 30 THR OG1 : rot -170:sc= -2.07 USER MOD Set 2.2: A 53 MET CE :methyl 173:sc= -8.66! (180deg=-7.79!) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -22.9! C(o=-23!,f=-30!) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0668 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -119:sc= -1.09 USER MOD Single : A 35 THR OG1 : rot -170:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -5.6! C(o=-5.6!,f=-5.3!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.283 K(o=-0.28,f=-1.9) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -177:sc= 0.214! USER MOD Single : A 52 TYR OH : rot 165:sc= 0 USER MOD Single : A 54 MET CE :methyl -167:sc= -2.03 (180deg=-2.99) USER MOD Single : A 56 ASN : amide:sc= -0.0676 X(o=-0.068,f=-0.073) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00192 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 78 ASN : amide:sc= -1.29 K(o=-1.3,f=-4.7!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 MET CE :methyl -122:sc= -1.19 (180deg=-2.6!) USER MOD Single : A 89 THR OG1 : rot 95:sc= 0.976 USER MOD Single : A 92 TYR OH : rot -20:sc= 0.384 USER MOD Single : A 95 LYS NZ :NH3+ -132:sc= -0.952 (180deg=-3.38!) USER MOD Single : A 99 MET CE :methyl -145:sc= -0.172 (180deg=-1.02) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= -2.7 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.03) USER MOD Single : A 113 THR OG1 : rot -39:sc= 0.191 USER MOD Single : A 114 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.61) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N HIS A 2 -8.304 7.211 0.424 1.00 0.00 N ATOM 31 CA HIS A 2 -8.990 5.927 0.085 1.00 0.00 C ATOM 32 C HIS A 2 -7.967 4.869 -0.337 1.00 0.00 C ATOM 33 O HIS A 2 -7.110 5.119 -1.165 1.00 0.00 O ATOM 34 CB HIS A 2 -9.918 6.271 -1.081 1.00 0.00 C ATOM 35 CG HIS A 2 -10.948 7.268 -0.625 1.00 0.00 C ATOM 36 ND1 HIS A 2 -11.880 6.971 0.357 1.00 0.00 N ATOM 37 CD2 HIS A 2 -11.206 8.561 -1.007 1.00 0.00 C ATOM 38 CE1 HIS A 2 -12.647 8.062 0.531 1.00 0.00 C ATOM 39 NE2 HIS A 2 -12.279 9.061 -0.276 1.00 0.00 N ATOM 0 HA HIS A 2 -9.535 5.516 0.935 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -9.341 6.681 -1.910 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -10.407 5.369 -1.449 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -10.659 9.107 -1.761 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -13.462 8.123 1.237 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -12.695 9.990 -0.342 1.00 0.00 H new ATOM 47 N VAL A 3 -8.054 3.689 0.224 1.00 0.00 N ATOM 48 CA VAL A 3 -7.092 2.606 -0.142 1.00 0.00 C ATOM 49 C VAL A 3 -7.845 1.284 -0.341 1.00 0.00 C ATOM 50 O VAL A 3 -8.663 0.899 0.473 1.00 0.00 O ATOM 51 CB VAL A 3 -6.127 2.515 1.046 1.00 0.00 C ATOM 52 CG1 VAL A 3 -5.105 1.400 0.804 1.00 0.00 C ATOM 53 CG2 VAL A 3 -5.392 3.848 1.208 1.00 0.00 C ATOM 0 H VAL A 3 -8.752 3.429 0.921 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.564 2.811 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.694 2.294 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.423 1.341 1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.625 0.449 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.539 1.615 -0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.706 3.785 2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.831 4.067 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.116 4.643 1.388 1.00 0.00 H new ATOM 63 N ALA A 4 -7.570 0.591 -1.417 1.00 0.00 N ATOM 64 CA ALA A 4 -8.263 -0.708 -1.678 1.00 0.00 C ATOM 65 C ALA A 4 -7.250 -1.854 -1.682 1.00 0.00 C ATOM 66 O ALA A 4 -6.226 -1.776 -2.333 1.00 0.00 O ATOM 67 CB ALA A 4 -8.886 -0.552 -3.063 1.00 0.00 C ATOM 0 H ALA A 4 -6.894 0.869 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 4 -9.007 -0.938 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -9.415 -1.467 -3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -9.587 0.283 -3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -8.102 -0.360 -3.795 1.00 0.00 H new ATOM 73 N GLN A 5 -7.527 -2.917 -0.965 1.00 0.00 N ATOM 74 CA GLN A 5 -6.567 -4.064 -0.934 1.00 0.00 C ATOM 75 C GLN A 5 -7.310 -5.415 -0.968 1.00 0.00 C ATOM 76 O GLN A 5 -8.317 -5.571 -0.305 1.00 0.00 O ATOM 77 CB GLN A 5 -5.813 -3.921 0.390 1.00 0.00 C ATOM 78 CG GLN A 5 -5.089 -2.571 0.441 1.00 0.00 C ATOM 79 CD GLN A 5 -4.112 -2.441 -0.730 1.00 0.00 C ATOM 80 OE1 GLN A 5 -3.526 -3.414 -1.161 1.00 0.00 O ATOM 81 NE2 GLN A 5 -3.922 -1.267 -1.269 1.00 0.00 N ATOM 0 H GLN A 5 -8.370 -3.039 -0.404 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.904 -4.047 -1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.510 -4.001 1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.093 -4.733 0.497 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.817 -1.760 0.407 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.550 -2.476 1.384 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.416 -0.452 -0.904 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.280 -1.164 -2.055 1.00 0.00 H new ATOM 90 N PRO A 6 -6.780 -6.366 -1.716 1.00 0.00 N ATOM 91 CA PRO A 6 -7.411 -7.711 -1.782 1.00 0.00 C ATOM 92 C PRO A 6 -7.159 -8.466 -0.479 1.00 0.00 C ATOM 93 O PRO A 6 -6.132 -8.302 0.151 1.00 0.00 O ATOM 94 CB PRO A 6 -6.701 -8.388 -2.951 1.00 0.00 C ATOM 95 CG PRO A 6 -5.380 -7.696 -3.061 1.00 0.00 C ATOM 96 CD PRO A 6 -5.571 -6.290 -2.555 1.00 0.00 C ATOM 0 HA PRO A 6 -8.492 -7.676 -1.917 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.573 -9.455 -2.769 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.276 -8.288 -3.872 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.623 -8.217 -2.475 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -5.034 -7.689 -4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.708 -5.954 -1.980 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.701 -5.586 -3.377 1.00 0.00 H new ATOM 104 N ALA A 7 -8.082 -9.297 -0.075 1.00 0.00 N ATOM 105 CA ALA A 7 -7.888 -10.072 1.182 1.00 0.00 C ATOM 106 C ALA A 7 -7.080 -11.324 0.882 1.00 0.00 C ATOM 107 O ALA A 7 -6.345 -11.808 1.724 1.00 0.00 O ATOM 108 CB ALA A 7 -9.295 -10.428 1.663 1.00 0.00 C ATOM 0 H ALA A 7 -8.961 -9.472 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.345 -9.511 1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.229 -11.001 2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.860 -9.514 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.800 -11.023 0.902 1.00 0.00 H new ATOM 114 N VAL A 8 -7.194 -11.847 -0.314 1.00 0.00 N ATOM 115 CA VAL A 8 -6.416 -13.050 -0.655 1.00 0.00 C ATOM 116 C VAL A 8 -6.178 -13.139 -2.156 1.00 0.00 C ATOM 117 O VAL A 8 -6.915 -12.595 -2.956 1.00 0.00 O ATOM 118 CB VAL A 8 -7.248 -14.234 -0.135 1.00 0.00 C ATOM 119 CG1 VAL A 8 -8.410 -14.647 -1.069 1.00 0.00 C ATOM 120 CG2 VAL A 8 -6.330 -15.421 0.048 1.00 0.00 C ATOM 0 H VAL A 8 -7.792 -11.486 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.424 -13.037 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.702 -13.912 0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.947 -15.488 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.092 -13.806 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.010 -14.938 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.904 -16.271 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.873 -15.679 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.550 -15.170 0.767 1.00 0.00 H new ATOM 130 N VAL A 9 -5.164 -13.848 -2.521 1.00 0.00 N ATOM 131 CA VAL A 9 -4.847 -14.036 -3.952 1.00 0.00 C ATOM 132 C VAL A 9 -4.526 -15.510 -4.204 1.00 0.00 C ATOM 133 O VAL A 9 -4.168 -16.234 -3.299 1.00 0.00 O ATOM 134 CB VAL A 9 -3.654 -13.111 -4.199 1.00 0.00 C ATOM 135 CG1 VAL A 9 -2.876 -13.515 -5.461 1.00 0.00 C ATOM 136 CG2 VAL A 9 -4.171 -11.679 -4.364 1.00 0.00 C ATOM 0 H VAL A 9 -4.527 -14.316 -1.877 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.665 -13.791 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.977 -13.186 -3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.036 -12.835 -5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.504 -14.533 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.536 -13.464 -6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.331 -11.007 -4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.856 -11.635 -5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.695 -11.375 -3.458 1.00 0.00 H new ATOM 146 N LEU A 10 -4.662 -15.952 -5.422 1.00 0.00 N ATOM 147 CA LEU A 10 -4.372 -17.384 -5.731 1.00 0.00 C ATOM 148 C LEU A 10 -3.108 -17.481 -6.593 1.00 0.00 C ATOM 149 O LEU A 10 -2.971 -16.791 -7.586 1.00 0.00 O ATOM 150 CB LEU A 10 -5.603 -17.883 -6.495 1.00 0.00 C ATOM 151 CG LEU A 10 -6.857 -17.738 -5.618 1.00 0.00 C ATOM 152 CD1 LEU A 10 -8.103 -17.990 -6.467 1.00 0.00 C ATOM 153 CD2 LEU A 10 -6.824 -18.751 -4.467 1.00 0.00 C ATOM 0 H LEU A 10 -4.961 -15.387 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.191 -17.981 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.725 -17.314 -7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.467 -18.926 -6.780 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.881 -16.729 -5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.993 -17.888 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.142 -17.265 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.063 -18.998 -6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.719 -18.636 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.790 -19.762 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.940 -18.576 -3.854 1.00 0.00 H new ATOM 165 N ALA A 11 -2.182 -18.324 -6.211 1.00 0.00 N ATOM 166 CA ALA A 11 -0.915 -18.463 -6.993 1.00 0.00 C ATOM 167 C ALA A 11 -1.051 -19.550 -8.063 1.00 0.00 C ATOM 168 O ALA A 11 -1.748 -20.529 -7.885 1.00 0.00 O ATOM 169 CB ALA A 11 0.144 -18.857 -5.963 1.00 0.00 C ATOM 0 H ALA A 11 -2.249 -18.924 -5.389 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.659 -17.542 -7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.107 -18.979 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.222 -18.077 -5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.141 -19.796 -5.489 1.00 0.00 H new ATOM 175 N SER A 12 -0.380 -19.378 -9.172 1.00 0.00 N ATOM 176 CA SER A 12 -0.447 -20.391 -10.270 1.00 0.00 C ATOM 177 C SER A 12 0.446 -21.590 -9.937 1.00 0.00 C ATOM 178 O SER A 12 1.235 -21.548 -9.011 1.00 0.00 O ATOM 179 CB SER A 12 0.069 -19.668 -11.514 1.00 0.00 C ATOM 180 OG SER A 12 0.042 -20.560 -12.620 1.00 0.00 O ATOM 0 H SER A 12 0.216 -18.574 -9.367 1.00 0.00 H new ATOM 0 HA SER A 12 -1.457 -20.775 -10.414 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.547 -18.793 -11.722 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.085 -19.310 -11.346 1.00 0.00 H new ATOM 0 HG SER A 12 0.371 -20.099 -13.420 1.00 0.00 H new ATOM 186 N SER A 13 0.327 -22.659 -10.686 1.00 0.00 N ATOM 187 CA SER A 13 1.170 -23.869 -10.419 1.00 0.00 C ATOM 188 C SER A 13 2.654 -23.509 -10.537 1.00 0.00 C ATOM 189 O SER A 13 3.479 -23.979 -9.777 1.00 0.00 O ATOM 190 CB SER A 13 0.777 -24.882 -11.495 1.00 0.00 C ATOM 191 OG SER A 13 1.464 -26.104 -11.263 1.00 0.00 O ATOM 0 H SER A 13 -0.318 -22.747 -11.472 1.00 0.00 H new ATOM 0 HA SER A 13 1.014 -24.266 -9.416 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.300 -25.048 -11.478 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.024 -24.494 -12.483 1.00 0.00 H new ATOM 0 HG SER A 13 1.213 -26.756 -11.950 1.00 0.00 H new ATOM 197 N ARG A 14 2.993 -22.665 -11.479 1.00 0.00 N ATOM 198 CA ARG A 14 4.423 -22.250 -11.653 1.00 0.00 C ATOM 199 C ARG A 14 4.961 -21.631 -10.358 1.00 0.00 C ATOM 200 O ARG A 14 6.155 -21.608 -10.122 1.00 0.00 O ATOM 201 CB ARG A 14 4.405 -21.201 -12.769 1.00 0.00 C ATOM 202 CG ARG A 14 4.084 -21.871 -14.114 1.00 0.00 C ATOM 203 CD ARG A 14 5.207 -21.587 -15.116 1.00 0.00 C ATOM 204 NE ARG A 14 4.744 -22.196 -16.401 1.00 0.00 N ATOM 205 CZ ARG A 14 4.854 -23.489 -16.631 1.00 0.00 C ATOM 206 NH1 ARG A 14 5.346 -24.311 -15.732 1.00 0.00 N ATOM 207 NH2 ARG A 14 4.455 -23.967 -17.778 1.00 0.00 N ATOM 0 H ARG A 14 2.340 -22.243 -12.139 1.00 0.00 H new ATOM 0 HA ARG A 14 5.064 -23.097 -11.895 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.661 -20.435 -12.548 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.371 -20.700 -12.824 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.970 -22.946 -13.977 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.136 -21.496 -14.500 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.376 -20.516 -15.226 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.149 -22.027 -14.788 1.00 0.00 H new ATOM 0 HE ARG A 14 4.333 -21.596 -17.117 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.655 -23.953 -14.828 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.419 -25.307 -15.938 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.064 -23.342 -18.483 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.534 -24.966 -17.970 1.00 0.00 H new ATOM 221 N GLY A 15 4.089 -21.114 -9.530 1.00 0.00 N ATOM 222 CA GLY A 15 4.539 -20.475 -8.260 1.00 0.00 C ATOM 223 C GLY A 15 4.610 -18.961 -8.467 1.00 0.00 C ATOM 224 O GLY A 15 5.380 -18.271 -7.827 1.00 0.00 O ATOM 0 H GLY A 15 3.080 -21.108 -9.681 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.847 -20.713 -7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.515 -20.862 -7.968 1.00 0.00 H new ATOM 228 N ILE A 16 3.803 -18.445 -9.361 1.00 0.00 N ATOM 229 CA ILE A 16 3.800 -16.985 -9.628 1.00 0.00 C ATOM 230 C ILE A 16 2.566 -16.368 -8.956 1.00 0.00 C ATOM 231 O ILE A 16 1.465 -16.447 -9.467 1.00 0.00 O ATOM 232 CB ILE A 16 3.739 -16.862 -11.178 1.00 0.00 C ATOM 233 CG1 ILE A 16 5.130 -17.073 -11.823 1.00 0.00 C ATOM 234 CG2 ILE A 16 3.242 -15.464 -11.586 1.00 0.00 C ATOM 235 CD1 ILE A 16 5.859 -18.300 -11.253 1.00 0.00 C ATOM 0 H ILE A 16 3.142 -18.984 -9.920 1.00 0.00 H new ATOM 0 HA ILE A 16 4.673 -16.464 -9.235 1.00 0.00 H new ATOM 0 HB ILE A 16 3.054 -17.634 -11.528 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.014 -17.191 -12.900 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.740 -16.184 -11.663 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.205 -15.394 -12.673 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.245 -15.299 -11.178 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.924 -14.708 -11.197 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.830 -18.404 -11.738 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.001 -18.173 -10.180 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.264 -19.195 -11.436 1.00 0.00 H new ATOM 247 N ALA A 17 2.754 -15.743 -7.828 1.00 0.00 N ATOM 248 CA ALA A 17 1.607 -15.100 -7.124 1.00 0.00 C ATOM 249 C ALA A 17 1.697 -13.590 -7.300 1.00 0.00 C ATOM 250 O ALA A 17 2.702 -12.981 -6.980 1.00 0.00 O ATOM 251 CB ALA A 17 1.758 -15.473 -5.652 1.00 0.00 C ATOM 0 H ALA A 17 3.656 -15.649 -7.360 1.00 0.00 H new ATOM 0 HA ALA A 17 0.644 -15.428 -7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.944 -15.030 -5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.728 -16.557 -5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.711 -15.098 -5.278 1.00 0.00 H new ATOM 257 N SER A 18 0.663 -12.984 -7.814 1.00 0.00 N ATOM 258 CA SER A 18 0.695 -11.510 -8.021 1.00 0.00 C ATOM 259 C SER A 18 -0.620 -10.870 -7.581 1.00 0.00 C ATOM 260 O SER A 18 -1.677 -11.466 -7.660 1.00 0.00 O ATOM 261 CB SER A 18 0.894 -11.332 -9.526 1.00 0.00 C ATOM 262 OG SER A 18 -0.232 -11.859 -10.215 1.00 0.00 O ATOM 0 H SER A 18 -0.201 -13.445 -8.099 1.00 0.00 H new ATOM 0 HA SER A 18 1.483 -11.034 -7.437 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.020 -10.276 -9.765 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.802 -11.842 -9.847 1.00 0.00 H new ATOM 0 HG SER A 18 -0.108 -11.745 -11.180 1.00 0.00 H new ATOM 268 N PHE A 19 -0.550 -9.647 -7.138 1.00 0.00 N ATOM 269 CA PHE A 19 -1.774 -8.919 -6.704 1.00 0.00 C ATOM 270 C PHE A 19 -1.542 -7.422 -6.843 1.00 0.00 C ATOM 271 O PHE A 19 -0.417 -6.972 -6.955 1.00 0.00 O ATOM 272 CB PHE A 19 -2.020 -9.321 -5.248 1.00 0.00 C ATOM 273 CG PHE A 19 -0.811 -9.021 -4.389 1.00 0.00 C ATOM 274 CD1 PHE A 19 0.319 -9.880 -4.439 1.00 0.00 C ATOM 275 CD2 PHE A 19 -0.812 -7.897 -3.518 1.00 0.00 C ATOM 276 CE1 PHE A 19 1.450 -9.616 -3.622 1.00 0.00 C ATOM 277 CE2 PHE A 19 0.320 -7.634 -2.696 1.00 0.00 C ATOM 278 CZ PHE A 19 1.451 -8.495 -2.750 1.00 0.00 C ATOM 0 H PHE A 19 0.316 -9.113 -7.057 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.644 -9.167 -7.312 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.887 -8.786 -4.861 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.253 -10.385 -5.195 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.318 -10.735 -5.099 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.671 -7.243 -3.480 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.310 -10.268 -3.664 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.320 -6.782 -2.032 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.311 -8.296 -2.128 1.00 0.00 H new ATOM 288 N VAL A 20 -2.594 -6.652 -6.868 1.00 0.00 N ATOM 289 CA VAL A 20 -2.425 -5.181 -7.037 1.00 0.00 C ATOM 290 C VAL A 20 -2.973 -4.411 -5.832 1.00 0.00 C ATOM 291 O VAL A 20 -4.155 -4.436 -5.547 1.00 0.00 O ATOM 292 CB VAL A 20 -3.202 -4.840 -8.309 1.00 0.00 C ATOM 293 CG1 VAL A 20 -3.122 -3.336 -8.582 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.597 -5.597 -9.495 1.00 0.00 C ATOM 0 H VAL A 20 -3.558 -6.974 -6.779 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.374 -4.901 -7.110 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.245 -5.129 -8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.678 -3.101 -9.490 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.552 -2.790 -7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.080 -3.044 -8.709 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.151 -5.354 -10.402 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.554 -5.307 -9.618 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.656 -6.670 -9.310 1.00 0.00 H new ATOM 304 N CYS A 21 -2.113 -3.701 -5.148 1.00 0.00 N ATOM 305 CA CYS A 21 -2.558 -2.890 -3.981 1.00 0.00 C ATOM 306 C CYS A 21 -2.698 -1.432 -4.424 1.00 0.00 C ATOM 307 O CYS A 21 -1.723 -0.749 -4.668 1.00 0.00 O ATOM 308 CB CYS A 21 -1.441 -3.050 -2.949 1.00 0.00 C ATOM 309 SG CYS A 21 -1.852 -2.130 -1.447 1.00 0.00 S ATOM 0 H CYS A 21 -1.115 -3.650 -5.351 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.520 -3.201 -3.573 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.301 -4.105 -2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.499 -2.688 -3.361 1.00 0.00 H new ATOM 314 N GLU A 22 -3.905 -0.957 -4.551 1.00 0.00 N ATOM 315 CA GLU A 22 -4.115 0.448 -5.007 1.00 0.00 C ATOM 316 C GLU A 22 -4.001 1.431 -3.840 1.00 0.00 C ATOM 317 O GLU A 22 -4.375 1.140 -2.720 1.00 0.00 O ATOM 318 CB GLU A 22 -5.511 0.432 -5.631 1.00 0.00 C ATOM 319 CG GLU A 22 -5.966 1.851 -5.993 1.00 0.00 C ATOM 320 CD GLU A 22 -7.100 1.782 -7.020 1.00 0.00 C ATOM 321 OE1 GLU A 22 -7.103 0.854 -7.813 1.00 0.00 O ATOM 322 OE2 GLU A 22 -7.946 2.661 -6.996 1.00 0.00 O ATOM 0 H GLU A 22 -4.758 -1.481 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.362 0.782 -5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.507 -0.192 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.220 -0.015 -4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.304 2.375 -5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.129 2.420 -6.398 1.00 0.00 H new ATOM 329 N TYR A 23 -3.470 2.595 -4.112 1.00 0.00 N ATOM 330 CA TYR A 23 -3.299 3.621 -3.060 1.00 0.00 C ATOM 331 C TYR A 23 -3.834 4.966 -3.573 1.00 0.00 C ATOM 332 O TYR A 23 -4.302 5.072 -4.691 1.00 0.00 O ATOM 333 CB TYR A 23 -1.779 3.668 -2.813 1.00 0.00 C ATOM 334 CG TYR A 23 -1.061 4.194 -4.039 1.00 0.00 C ATOM 335 CD1 TYR A 23 -0.871 5.592 -4.200 1.00 0.00 C ATOM 336 CD2 TYR A 23 -0.581 3.293 -5.027 1.00 0.00 C ATOM 337 CE1 TYR A 23 -0.200 6.091 -5.347 1.00 0.00 C ATOM 338 CE2 TYR A 23 0.091 3.792 -6.176 1.00 0.00 C ATOM 339 CZ TYR A 23 0.281 5.191 -6.336 1.00 0.00 C ATOM 340 OH TYR A 23 0.932 5.676 -7.452 1.00 0.00 O ATOM 0 H TYR A 23 -3.144 2.875 -5.037 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.842 3.400 -2.141 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.563 4.306 -1.956 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.413 2.671 -2.569 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.237 6.276 -3.449 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.727 2.230 -4.905 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.055 7.154 -5.468 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.457 3.108 -6.927 1.00 0.00 H new ATOM 0 HH TYR A 23 1.197 4.928 -8.027 1.00 0.00 H new ATOM 350 N ALA A 24 -3.758 5.981 -2.766 1.00 0.00 N ATOM 351 CA ALA A 24 -4.251 7.328 -3.188 1.00 0.00 C ATOM 352 C ALA A 24 -3.221 8.402 -2.827 1.00 0.00 C ATOM 353 O ALA A 24 -2.725 8.442 -1.717 1.00 0.00 O ATOM 354 CB ALA A 24 -5.545 7.541 -2.403 1.00 0.00 C ATOM 0 H ALA A 24 -3.373 5.941 -1.822 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.413 7.391 -4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.970 8.512 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.257 6.755 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.332 7.508 -1.335 1.00 0.00 H new ATOM 360 N SER A 25 -2.897 9.271 -3.753 1.00 0.00 N ATOM 361 CA SER A 25 -1.898 10.344 -3.460 1.00 0.00 C ATOM 362 C SER A 25 -2.458 11.732 -3.810 1.00 0.00 C ATOM 363 O SER A 25 -3.274 11.860 -4.700 1.00 0.00 O ATOM 364 CB SER A 25 -0.688 10.024 -4.332 1.00 0.00 C ATOM 365 OG SER A 25 0.249 11.088 -4.249 1.00 0.00 O ATOM 0 H SER A 25 -3.281 9.283 -4.698 1.00 0.00 H new ATOM 0 HA SER A 25 -1.643 10.370 -2.401 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.227 9.092 -4.005 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.000 9.879 -5.366 1.00 0.00 H new ATOM 0 HG SER A 25 0.387 11.472 -5.140 1.00 0.00 H new ATOM 371 N PRO A 26 -1.997 12.734 -3.091 1.00 0.00 N ATOM 372 CA PRO A 26 -2.464 14.125 -3.334 1.00 0.00 C ATOM 373 C PRO A 26 -1.950 14.661 -4.679 1.00 0.00 C ATOM 374 O PRO A 26 -2.429 15.666 -5.170 1.00 0.00 O ATOM 375 CB PRO A 26 -1.861 14.913 -2.172 1.00 0.00 C ATOM 376 CG PRO A 26 -0.669 14.119 -1.747 1.00 0.00 C ATOM 377 CD PRO A 26 -1.005 12.675 -2.003 1.00 0.00 C ATOM 0 HA PRO A 26 -3.550 14.199 -3.384 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.576 15.918 -2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.575 15.022 -1.356 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.216 14.417 -2.309 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.448 14.285 -0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.123 12.105 -2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.414 12.195 -1.114 1.00 0.00 H new ATOM 385 N GLY A 27 -0.977 14.010 -5.275 1.00 0.00 N ATOM 386 CA GLY A 27 -0.438 14.497 -6.581 1.00 0.00 C ATOM 387 C GLY A 27 0.291 13.361 -7.299 1.00 0.00 C ATOM 388 O GLY A 27 0.153 12.204 -6.950 1.00 0.00 O ATOM 0 H GLY A 27 -0.536 13.165 -4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.251 14.870 -7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.244 15.331 -6.415 1.00 0.00 H new ATOM 392 N LYS A 28 1.065 13.686 -8.305 1.00 0.00 N ATOM 393 CA LYS A 28 1.806 12.631 -9.061 1.00 0.00 C ATOM 394 C LYS A 28 3.310 12.729 -8.779 1.00 0.00 C ATOM 395 O LYS A 28 3.893 13.795 -8.840 1.00 0.00 O ATOM 396 CB LYS A 28 1.525 12.927 -10.537 1.00 0.00 C ATOM 397 CG LYS A 28 0.019 12.853 -10.808 1.00 0.00 C ATOM 398 CD LYS A 28 -0.485 11.430 -10.566 1.00 0.00 C ATOM 399 CE LYS A 28 -1.968 11.346 -10.936 1.00 0.00 C ATOM 400 NZ LYS A 28 -2.435 10.049 -10.373 1.00 0.00 N ATOM 0 H LYS A 28 1.215 14.639 -8.635 1.00 0.00 H new ATOM 0 HA LYS A 28 1.492 11.627 -8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.901 13.917 -10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.052 12.210 -11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.511 13.551 -10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.189 13.152 -11.835 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.091 10.722 -11.162 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.343 11.155 -9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.527 12.182 -10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.107 11.380 -12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.369 9.816 -10.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.758 9.299 -10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.505 10.125 -9.338 1.00 0.00 H new ATOM 414 N ALA A 29 3.938 11.620 -8.477 1.00 0.00 N ATOM 415 CA ALA A 29 5.407 11.632 -8.197 1.00 0.00 C ATOM 416 C ALA A 29 6.033 10.309 -8.648 1.00 0.00 C ATOM 417 O ALA A 29 5.369 9.291 -8.698 1.00 0.00 O ATOM 418 CB ALA A 29 5.521 11.790 -6.681 1.00 0.00 C ATOM 0 H ALA A 29 3.495 10.704 -8.412 1.00 0.00 H new ATOM 0 HA ALA A 29 5.926 12.431 -8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.573 11.808 -6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.046 12.722 -6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.025 10.953 -6.190 1.00 0.00 H new ATOM 424 N THR A 30 7.303 10.313 -8.975 1.00 0.00 N ATOM 425 CA THR A 30 7.963 9.045 -9.423 1.00 0.00 C ATOM 426 C THR A 30 8.325 8.188 -8.229 1.00 0.00 C ATOM 427 O THR A 30 8.331 6.978 -8.296 1.00 0.00 O ATOM 428 CB THR A 30 9.282 9.447 -10.094 1.00 0.00 C ATOM 429 OG1 THR A 30 10.163 9.983 -9.116 1.00 0.00 O ATOM 430 CG2 THR A 30 9.060 10.489 -11.170 1.00 0.00 C ATOM 0 H THR A 30 7.908 11.134 -8.952 1.00 0.00 H new ATOM 0 HA THR A 30 7.294 8.494 -10.084 1.00 0.00 H new ATOM 0 HB THR A 30 9.711 8.557 -10.554 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.939 10.384 -9.560 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.015 10.751 -11.625 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.393 10.088 -11.933 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.612 11.379 -10.728 1.00 0.00 H new ATOM 438 N GLU A 31 8.696 8.822 -7.161 1.00 0.00 N ATOM 439 CA GLU A 31 9.159 8.064 -5.973 1.00 0.00 C ATOM 440 C GLU A 31 8.000 7.511 -5.152 1.00 0.00 C ATOM 441 O GLU A 31 7.454 8.186 -4.298 1.00 0.00 O ATOM 442 CB GLU A 31 9.931 9.087 -5.136 1.00 0.00 C ATOM 443 CG GLU A 31 11.113 9.650 -5.940 1.00 0.00 C ATOM 444 CD GLU A 31 12.344 8.741 -5.784 1.00 0.00 C ATOM 445 OE1 GLU A 31 12.294 7.821 -4.981 1.00 0.00 O ATOM 446 OE2 GLU A 31 13.322 8.987 -6.471 1.00 0.00 O ATOM 0 H GLU A 31 8.699 9.837 -7.057 1.00 0.00 H new ATOM 0 HA GLU A 31 9.758 7.204 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.267 9.898 -4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.295 8.619 -4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.841 9.729 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.350 10.657 -5.596 1.00 0.00 H new ATOM 453 N VAL A 32 7.661 6.269 -5.366 1.00 0.00 N ATOM 454 CA VAL A 32 6.581 5.642 -4.560 1.00 0.00 C ATOM 455 C VAL A 32 7.220 4.549 -3.706 1.00 0.00 C ATOM 456 O VAL A 32 7.264 3.395 -4.089 1.00 0.00 O ATOM 457 CB VAL A 32 5.590 5.056 -5.569 1.00 0.00 C ATOM 458 CG1 VAL A 32 4.481 4.301 -4.823 1.00 0.00 C ATOM 459 CG2 VAL A 32 4.974 6.194 -6.386 1.00 0.00 C ATOM 0 H VAL A 32 8.088 5.662 -6.066 1.00 0.00 H new ATOM 0 HA VAL A 32 6.068 6.340 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 32 6.109 4.366 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.777 3.885 -5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.921 3.494 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.957 4.988 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.267 5.783 -7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.454 6.881 -5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.762 6.730 -6.916 1.00 0.00 H new ATOM 469 N ARG A 33 7.741 4.916 -2.564 1.00 0.00 N ATOM 470 CA ARG A 33 8.412 3.910 -1.687 1.00 0.00 C ATOM 471 C ARG A 33 7.419 2.836 -1.268 1.00 0.00 C ATOM 472 O ARG A 33 6.456 3.107 -0.576 1.00 0.00 O ATOM 473 CB ARG A 33 8.906 4.690 -0.466 1.00 0.00 C ATOM 474 CG ARG A 33 9.847 3.806 0.354 1.00 0.00 C ATOM 475 CD ARG A 33 10.402 4.608 1.533 1.00 0.00 C ATOM 476 NE ARG A 33 11.291 3.654 2.264 1.00 0.00 N ATOM 477 CZ ARG A 33 10.801 2.753 3.093 1.00 0.00 C ATOM 478 NH1 ARG A 33 9.509 2.630 3.293 1.00 0.00 N ATOM 479 NH2 ARG A 33 11.621 1.957 3.723 1.00 0.00 N ATOM 0 H ARG A 33 7.731 5.869 -2.201 1.00 0.00 H new ATOM 0 HA ARG A 33 9.233 3.407 -2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.424 5.595 -0.784 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.060 5.005 0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.314 2.927 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.664 3.447 -0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.957 5.481 1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.600 4.972 2.175 1.00 0.00 H new ATOM 0 HE ARG A 33 12.299 3.701 2.118 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.856 3.240 2.801 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.158 1.924 3.940 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.626 2.037 3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.256 1.255 4.367 1.00 0.00 H new ATOM 493 N VAL A 34 7.653 1.615 -1.676 1.00 0.00 N ATOM 494 CA VAL A 34 6.730 0.522 -1.294 1.00 0.00 C ATOM 495 C VAL A 34 7.490 -0.573 -0.555 1.00 0.00 C ATOM 496 O VAL A 34 8.554 -0.999 -0.962 1.00 0.00 O ATOM 497 CB VAL A 34 6.134 -0.014 -2.597 1.00 0.00 C ATOM 498 CG1 VAL A 34 5.315 1.083 -3.279 1.00 0.00 C ATOM 499 CG2 VAL A 34 7.248 -0.478 -3.542 1.00 0.00 C ATOM 0 H VAL A 34 8.444 1.335 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 34 5.946 0.876 -0.625 1.00 0.00 H new ATOM 0 HB VAL A 34 5.490 -0.862 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.892 0.698 -4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.509 1.400 -2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.959 1.934 -3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.808 -0.857 -4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.904 0.362 -3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.825 -1.269 -3.064 1.00 0.00 H new ATOM 509 N THR A 35 6.938 -1.024 0.530 1.00 0.00 N ATOM 510 CA THR A 35 7.598 -2.099 1.328 1.00 0.00 C ATOM 511 C THR A 35 6.684 -3.321 1.414 1.00 0.00 C ATOM 512 O THR A 35 5.557 -3.232 1.863 1.00 0.00 O ATOM 513 CB THR A 35 7.812 -1.502 2.724 1.00 0.00 C ATOM 514 OG1 THR A 35 8.563 -0.301 2.612 1.00 0.00 O ATOM 515 CG2 THR A 35 8.577 -2.505 3.598 1.00 0.00 C ATOM 0 H THR A 35 6.049 -0.694 0.906 1.00 0.00 H new ATOM 0 HA THR A 35 8.537 -2.422 0.878 1.00 0.00 H new ATOM 0 HB THR A 35 6.846 -1.287 3.181 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.836 -0.002 3.504 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.729 -2.081 4.590 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.002 -3.427 3.682 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.544 -2.720 3.143 1.00 0.00 H new ATOM 523 N VAL A 36 7.167 -4.461 1.001 1.00 0.00 N ATOM 524 CA VAL A 36 6.334 -5.692 1.075 1.00 0.00 C ATOM 525 C VAL A 36 6.761 -6.500 2.304 1.00 0.00 C ATOM 526 O VAL A 36 7.939 -6.722 2.513 1.00 0.00 O ATOM 527 CB VAL A 36 6.623 -6.451 -0.227 1.00 0.00 C ATOM 528 CG1 VAL A 36 5.873 -7.787 -0.230 1.00 0.00 C ATOM 529 CG2 VAL A 36 6.159 -5.607 -1.420 1.00 0.00 C ATOM 0 H VAL A 36 8.102 -4.592 0.616 1.00 0.00 H new ATOM 0 HA VAL A 36 5.268 -5.489 1.174 1.00 0.00 H new ATOM 0 HB VAL A 36 7.694 -6.640 -0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.083 -8.320 -1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.200 -8.390 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.801 -7.603 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.363 -6.144 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.089 -5.419 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.695 -4.658 -1.425 1.00 0.00 H new ATOM 539 N LEU A 37 5.830 -6.919 3.135 1.00 0.00 N ATOM 540 CA LEU A 37 6.232 -7.690 4.354 1.00 0.00 C ATOM 541 C LEU A 37 5.516 -9.033 4.422 1.00 0.00 C ATOM 542 O LEU A 37 4.557 -9.279 3.718 1.00 0.00 O ATOM 543 CB LEU A 37 5.796 -6.834 5.545 1.00 0.00 C ATOM 544 CG LEU A 37 6.529 -5.498 5.543 1.00 0.00 C ATOM 545 CD1 LEU A 37 5.863 -4.566 6.552 1.00 0.00 C ATOM 546 CD2 LEU A 37 7.981 -5.720 5.953 1.00 0.00 C ATOM 0 H LEU A 37 4.828 -6.763 3.023 1.00 0.00 H new ATOM 0 HA LEU A 37 7.303 -7.892 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.720 -6.665 5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.999 -7.365 6.475 1.00 0.00 H new ATOM 0 HG LEU A 37 6.492 -5.057 4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.381 -3.607 6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.820 -4.414 6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.912 -5.011 7.546 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.509 -4.766 5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.015 -6.153 6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.459 -6.399 5.247 1.00 0.00 H new ATOM 558 N ARG A 38 5.969 -9.888 5.298 1.00 0.00 N ATOM 559 CA ARG A 38 5.316 -11.215 5.472 1.00 0.00 C ATOM 560 C ARG A 38 4.991 -11.419 6.954 1.00 0.00 C ATOM 561 O ARG A 38 5.862 -11.340 7.800 1.00 0.00 O ATOM 562 CB ARG A 38 6.349 -12.239 5.000 1.00 0.00 C ATOM 563 CG ARG A 38 5.736 -13.640 5.047 1.00 0.00 C ATOM 564 CD ARG A 38 6.798 -14.677 4.670 1.00 0.00 C ATOM 565 NE ARG A 38 6.098 -15.999 4.735 1.00 0.00 N ATOM 566 CZ ARG A 38 6.769 -17.134 4.697 1.00 0.00 C ATOM 567 NH1 ARG A 38 8.079 -17.157 4.603 1.00 0.00 N ATOM 568 NH2 ARG A 38 6.115 -18.262 4.754 1.00 0.00 N ATOM 0 H ARG A 38 6.771 -9.721 5.906 1.00 0.00 H new ATOM 0 HA ARG A 38 4.385 -11.306 4.912 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.671 -12.005 3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.235 -12.196 5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.350 -13.846 6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.892 -13.702 4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.194 -14.490 3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.642 -14.644 5.359 1.00 0.00 H new ATOM 0 HE ARG A 38 5.081 -16.022 4.810 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.602 -16.283 4.557 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.573 -18.049 4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.098 -18.259 4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.621 -19.147 4.726 1.00 0.00 H new ATOM 582 N GLN A 39 3.748 -11.676 7.277 1.00 0.00 N ATOM 583 CA GLN A 39 3.372 -11.877 8.708 1.00 0.00 C ATOM 584 C GLN A 39 3.031 -13.341 8.983 1.00 0.00 C ATOM 585 O GLN A 39 2.275 -13.963 8.261 1.00 0.00 O ATOM 586 CB GLN A 39 2.153 -10.981 8.933 1.00 0.00 C ATOM 587 CG GLN A 39 2.597 -9.517 9.013 1.00 0.00 C ATOM 588 CD GLN A 39 1.391 -8.571 8.864 1.00 0.00 C ATOM 589 OE1 GLN A 39 1.554 -7.435 8.462 1.00 0.00 O ATOM 590 NE2 GLN A 39 0.184 -8.978 9.167 1.00 0.00 N ATOM 0 H GLN A 39 2.979 -11.755 6.612 1.00 0.00 H new ATOM 0 HA GLN A 39 4.191 -11.624 9.381 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.439 -11.111 8.120 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.644 -11.268 9.853 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.093 -9.334 9.966 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.326 -9.310 8.230 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.036 -9.929 9.505 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.609 -8.344 9.065 1.00 0.00 H new ATOM 599 N ALA A 40 3.587 -13.885 10.033 1.00 0.00 N ATOM 600 CA ALA A 40 3.314 -15.306 10.389 1.00 0.00 C ATOM 601 C ALA A 40 2.804 -15.380 11.830 1.00 0.00 C ATOM 602 O ALA A 40 2.963 -14.450 12.598 1.00 0.00 O ATOM 603 CB ALA A 40 4.662 -16.014 10.254 1.00 0.00 C ATOM 0 H ALA A 40 4.224 -13.400 10.664 1.00 0.00 H new ATOM 0 HA ALA A 40 2.556 -15.764 9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.545 -17.069 10.500 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.022 -15.918 9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.381 -15.560 10.936 1.00 0.00 H new ATOM 609 N ASP A 41 2.191 -16.475 12.201 1.00 0.00 N ATOM 610 CA ASP A 41 1.666 -16.603 13.596 1.00 0.00 C ATOM 611 C ASP A 41 2.805 -16.476 14.612 1.00 0.00 C ATOM 612 O ASP A 41 2.669 -15.816 15.626 1.00 0.00 O ATOM 613 CB ASP A 41 1.039 -17.991 13.666 1.00 0.00 C ATOM 614 CG ASP A 41 -0.264 -18.018 12.860 1.00 0.00 C ATOM 615 OD1 ASP A 41 -0.890 -16.977 12.740 1.00 0.00 O ATOM 616 OD2 ASP A 41 -0.613 -19.082 12.375 1.00 0.00 O ATOM 0 H ASP A 41 2.031 -17.284 11.601 1.00 0.00 H new ATOM 0 HA ASP A 41 0.945 -15.820 13.832 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.734 -18.733 13.274 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.840 -18.257 14.704 1.00 0.00 H new ATOM 621 N SER A 42 3.923 -17.105 14.349 1.00 0.00 N ATOM 622 CA SER A 42 5.073 -17.023 15.303 1.00 0.00 C ATOM 623 C SER A 42 5.685 -15.618 15.294 1.00 0.00 C ATOM 624 O SER A 42 5.788 -14.975 16.322 1.00 0.00 O ATOM 625 CB SER A 42 6.088 -18.050 14.798 1.00 0.00 C ATOM 626 OG SER A 42 5.525 -19.351 14.891 1.00 0.00 O ATOM 0 H SER A 42 4.090 -17.671 13.517 1.00 0.00 H new ATOM 0 HA SER A 42 4.763 -17.224 16.328 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.360 -17.832 13.765 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.003 -17.994 15.387 1.00 0.00 H new ATOM 0 HG SER A 42 6.172 -20.011 14.567 1.00 0.00 H new ATOM 632 N GLN A 43 6.093 -15.139 14.143 1.00 0.00 N ATOM 633 CA GLN A 43 6.704 -13.774 14.066 1.00 0.00 C ATOM 634 C GLN A 43 6.447 -13.125 12.710 1.00 0.00 C ATOM 635 O GLN A 43 5.786 -13.673 11.849 1.00 0.00 O ATOM 636 CB GLN A 43 8.209 -13.980 14.251 1.00 0.00 C ATOM 637 CG GLN A 43 8.533 -14.229 15.724 1.00 0.00 C ATOM 638 CD GLN A 43 8.137 -13.008 16.561 1.00 0.00 C ATOM 639 OE1 GLN A 43 8.028 -11.913 16.046 1.00 0.00 O ATOM 640 NE2 GLN A 43 7.914 -13.152 17.839 1.00 0.00 N ATOM 0 H GLN A 43 6.029 -15.634 13.254 1.00 0.00 H new ATOM 0 HA GLN A 43 6.274 -13.118 14.823 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.544 -14.825 13.650 1.00 0.00 H new ATOM 0 HB3 GLN A 43 8.749 -13.103 13.896 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.000 -15.111 16.078 1.00 0.00 H new ATOM 0 HG3 GLN A 43 9.598 -14.431 15.842 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.005 -14.071 18.272 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.648 -12.346 18.404 1.00 0.00 H new ATOM 649 N VAL A 44 6.989 -11.954 12.528 1.00 0.00 N ATOM 650 CA VAL A 44 6.820 -11.222 11.235 1.00 0.00 C ATOM 651 C VAL A 44 8.186 -10.716 10.751 1.00 0.00 C ATOM 652 O VAL A 44 8.978 -10.215 11.527 1.00 0.00 O ATOM 653 CB VAL A 44 5.893 -10.046 11.555 1.00 0.00 C ATOM 654 CG1 VAL A 44 5.656 -9.213 10.292 1.00 0.00 C ATOM 655 CG2 VAL A 44 4.551 -10.570 12.075 1.00 0.00 C ATOM 0 H VAL A 44 7.549 -11.465 13.226 1.00 0.00 H new ATOM 0 HA VAL A 44 6.407 -11.853 10.448 1.00 0.00 H new ATOM 0 HB VAL A 44 6.361 -9.424 12.318 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.996 -8.378 10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.608 -8.831 9.924 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.195 -9.837 9.526 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.895 -9.729 12.301 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.087 -11.198 11.315 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.715 -11.156 12.979 1.00 0.00 H new ATOM 665 N THR A 45 8.466 -10.851 9.480 1.00 0.00 N ATOM 666 CA THR A 45 9.786 -10.385 8.945 1.00 0.00 C ATOM 667 C THR A 45 9.600 -9.590 7.646 1.00 0.00 C ATOM 668 O THR A 45 8.577 -9.679 6.994 1.00 0.00 O ATOM 669 CB THR A 45 10.581 -11.665 8.678 1.00 0.00 C ATOM 670 OG1 THR A 45 9.884 -12.464 7.732 1.00 0.00 O ATOM 671 CG2 THR A 45 10.756 -12.448 9.982 1.00 0.00 C ATOM 0 H THR A 45 7.840 -11.263 8.788 1.00 0.00 H new ATOM 0 HA THR A 45 10.295 -9.722 9.645 1.00 0.00 H new ATOM 0 HB THR A 45 11.563 -11.405 8.283 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.392 -13.284 7.558 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.323 -13.358 9.786 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.293 -11.835 10.705 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.777 -12.709 10.384 1.00 0.00 H new ATOM 679 N GLU A 46 10.592 -8.818 7.267 1.00 0.00 N ATOM 680 CA GLU A 46 10.490 -8.014 6.014 1.00 0.00 C ATOM 681 C GLU A 46 10.782 -8.877 4.789 1.00 0.00 C ATOM 682 O GLU A 46 11.449 -9.891 4.870 1.00 0.00 O ATOM 683 CB GLU A 46 11.543 -6.909 6.149 1.00 0.00 C ATOM 684 CG GLU A 46 11.087 -5.881 7.187 1.00 0.00 C ATOM 685 CD GLU A 46 12.255 -4.959 7.546 1.00 0.00 C ATOM 686 OE1 GLU A 46 13.383 -5.427 7.527 1.00 0.00 O ATOM 687 OE2 GLU A 46 12.003 -3.801 7.836 1.00 0.00 O ATOM 0 H GLU A 46 11.470 -8.712 7.776 1.00 0.00 H new ATOM 0 HA GLU A 46 9.487 -7.608 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.499 -7.340 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.698 -6.423 5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.256 -5.295 6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.723 -6.388 8.081 1.00 0.00 H new ATOM 694 N VAL A 47 10.269 -8.477 3.655 1.00 0.00 N ATOM 695 CA VAL A 47 10.488 -9.257 2.407 1.00 0.00 C ATOM 696 C VAL A 47 11.239 -8.394 1.366 1.00 0.00 C ATOM 697 O VAL A 47 12.452 -8.316 1.396 1.00 0.00 O ATOM 698 CB VAL A 47 9.072 -9.636 1.952 1.00 0.00 C ATOM 699 CG1 VAL A 47 9.124 -10.366 0.616 1.00 0.00 C ATOM 700 CG2 VAL A 47 8.430 -10.551 3.000 1.00 0.00 C ATOM 0 H VAL A 47 9.703 -7.636 3.542 1.00 0.00 H new ATOM 0 HA VAL A 47 11.108 -10.143 2.546 1.00 0.00 H new ATOM 0 HB VAL A 47 8.482 -8.726 1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.113 -10.629 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.578 -9.719 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 47 9.719 -11.273 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.424 -10.822 2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.031 -11.454 3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.378 -10.029 3.956 1.00 0.00 H new ATOM 710 N CYS A 48 10.546 -7.745 0.454 1.00 0.00 N ATOM 711 CA CYS A 48 11.250 -6.903 -0.566 1.00 0.00 C ATOM 712 C CYS A 48 10.787 -5.446 -0.463 1.00 0.00 C ATOM 713 O CYS A 48 9.642 -5.177 -0.151 1.00 0.00 O ATOM 714 CB CYS A 48 10.858 -7.521 -1.911 1.00 0.00 C ATOM 715 SG CYS A 48 11.646 -9.147 -2.074 1.00 0.00 S ATOM 0 H CYS A 48 9.529 -7.763 0.374 1.00 0.00 H new ATOM 0 HA CYS A 48 12.331 -6.888 -0.429 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.775 -7.621 -1.977 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.168 -6.870 -2.728 1.00 0.00 H new ATOM 720 N ALA A 49 11.673 -4.501 -0.701 1.00 0.00 N ATOM 721 CA ALA A 49 11.271 -3.062 -0.587 1.00 0.00 C ATOM 722 C ALA A 49 12.186 -2.146 -1.417 1.00 0.00 C ATOM 723 O ALA A 49 13.391 -2.302 -1.435 1.00 0.00 O ATOM 724 CB ALA A 49 11.409 -2.749 0.903 1.00 0.00 C ATOM 0 H ALA A 49 12.645 -4.664 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 49 10.263 -2.893 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.134 -1.710 1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.751 -3.403 1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.441 -2.910 1.215 1.00 0.00 H new ATOM 730 N ALA A 50 11.608 -1.177 -2.086 1.00 0.00 N ATOM 731 CA ALA A 50 12.409 -0.213 -2.911 1.00 0.00 C ATOM 732 C ALA A 50 11.472 0.863 -3.473 1.00 0.00 C ATOM 733 O ALA A 50 10.279 0.644 -3.588 1.00 0.00 O ATOM 734 CB ALA A 50 13.026 -1.040 -4.047 1.00 0.00 C ATOM 0 H ALA A 50 10.602 -1.010 -2.096 1.00 0.00 H new ATOM 0 HA ALA A 50 13.184 0.287 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.624 -0.391 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.661 -1.820 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.232 -1.498 -4.637 1.00 0.00 H new ATOM 740 N THR A 51 11.989 2.019 -3.820 1.00 0.00 N ATOM 741 CA THR A 51 11.099 3.091 -4.368 1.00 0.00 C ATOM 742 C THR A 51 10.814 2.821 -5.841 1.00 0.00 C ATOM 743 O THR A 51 11.715 2.775 -6.655 1.00 0.00 O ATOM 744 CB THR A 51 11.878 4.402 -4.222 1.00 0.00 C ATOM 745 OG1 THR A 51 12.563 4.405 -2.979 1.00 0.00 O ATOM 746 CG2 THR A 51 10.900 5.576 -4.255 1.00 0.00 C ATOM 0 H THR A 51 12.977 2.264 -3.749 1.00 0.00 H new ATOM 0 HA THR A 51 10.145 3.130 -3.842 1.00 0.00 H new ATOM 0 HB THR A 51 12.594 4.494 -5.038 1.00 0.00 H new ATOM 0 HG1 THR A 51 13.030 5.259 -2.865 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.450 6.511 -4.151 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.362 5.575 -5.203 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.189 5.481 -3.434 1.00 0.00 H new ATOM 754 N TYR A 52 9.568 2.650 -6.192 1.00 0.00 N ATOM 755 CA TYR A 52 9.235 2.391 -7.613 1.00 0.00 C ATOM 756 C TYR A 52 9.215 3.706 -8.376 1.00 0.00 C ATOM 757 O TYR A 52 8.323 4.515 -8.195 1.00 0.00 O ATOM 758 CB TYR A 52 7.836 1.783 -7.597 1.00 0.00 C ATOM 759 CG TYR A 52 7.515 1.263 -8.972 1.00 0.00 C ATOM 760 CD1 TYR A 52 7.187 2.171 -10.011 1.00 0.00 C ATOM 761 CD2 TYR A 52 7.550 -0.131 -9.226 1.00 0.00 C ATOM 762 CE1 TYR A 52 6.889 1.682 -11.312 1.00 0.00 C ATOM 763 CE2 TYR A 52 7.253 -0.623 -10.526 1.00 0.00 C ATOM 764 CZ TYR A 52 6.922 0.284 -11.569 1.00 0.00 C ATOM 765 OH TYR A 52 6.634 -0.192 -12.832 1.00 0.00 O ATOM 0 H TYR A 52 8.772 2.679 -5.555 1.00 0.00 H new ATOM 0 HA TYR A 52 9.959 1.733 -8.093 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.784 0.975 -6.867 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.103 2.532 -7.296 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.164 3.233 -9.814 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.802 -0.819 -8.432 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.638 2.372 -12.104 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.279 -1.685 -10.721 1.00 0.00 H new ATOM 0 HH TYR A 52 6.929 -1.124 -12.906 1.00 0.00 H new ATOM 775 N MET A 53 10.174 3.920 -9.240 1.00 0.00 N ATOM 776 CA MET A 53 10.182 5.179 -10.032 1.00 0.00 C ATOM 777 C MET A 53 9.174 5.003 -11.170 1.00 0.00 C ATOM 778 O MET A 53 9.005 3.906 -11.672 1.00 0.00 O ATOM 779 CB MET A 53 11.599 5.317 -10.597 1.00 0.00 C ATOM 780 CG MET A 53 12.629 5.330 -9.463 1.00 0.00 C ATOM 781 SD MET A 53 13.277 7.005 -9.261 1.00 0.00 S ATOM 782 CE MET A 53 11.789 7.721 -8.530 1.00 0.00 C ATOM 0 H MET A 53 10.946 3.280 -9.428 1.00 0.00 H new ATOM 0 HA MET A 53 9.918 6.059 -9.446 1.00 0.00 H new ATOM 0 HB2 MET A 53 11.808 4.491 -11.277 1.00 0.00 H new ATOM 0 HB3 MET A 53 11.677 6.236 -11.178 1.00 0.00 H new ATOM 0 HG2 MET A 53 12.169 4.992 -8.535 1.00 0.00 H new ATOM 0 HG3 MET A 53 13.441 4.638 -9.686 1.00 0.00 H new ATOM 0 HE1 MET A 53 11.998 8.739 -8.202 1.00 0.00 H new ATOM 0 HE2 MET A 53 10.990 7.735 -9.271 1.00 0.00 H new ATOM 0 HE3 MET A 53 11.479 7.121 -7.674 1.00 0.00 H new ATOM 792 N MET A 54 8.496 6.042 -11.577 1.00 0.00 N ATOM 793 CA MET A 54 7.496 5.878 -12.679 1.00 0.00 C ATOM 794 C MET A 54 8.200 5.561 -14.007 1.00 0.00 C ATOM 795 O MET A 54 7.575 5.112 -14.949 1.00 0.00 O ATOM 796 CB MET A 54 6.755 7.213 -12.763 1.00 0.00 C ATOM 797 CG MET A 54 5.269 6.957 -13.034 1.00 0.00 C ATOM 798 SD MET A 54 4.352 7.019 -11.471 1.00 0.00 S ATOM 799 CE MET A 54 5.134 5.593 -10.672 1.00 0.00 C ATOM 0 H MET A 54 8.587 6.986 -11.202 1.00 0.00 H new ATOM 0 HA MET A 54 6.813 5.051 -12.484 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.876 7.767 -11.832 1.00 0.00 H new ATOM 0 HB3 MET A 54 7.180 7.827 -13.557 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.880 7.704 -13.726 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.137 5.984 -13.508 1.00 0.00 H new ATOM 0 HE1 MET A 54 4.559 5.310 -9.790 1.00 0.00 H new ATOM 0 HE2 MET A 54 5.164 4.756 -11.370 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.150 5.854 -10.375 1.00 0.00 H new ATOM 809 N GLY A 55 9.491 5.786 -14.091 1.00 0.00 N ATOM 810 CA GLY A 55 10.225 5.493 -15.359 1.00 0.00 C ATOM 811 C GLY A 55 11.313 4.432 -15.124 1.00 0.00 C ATOM 812 O GLY A 55 11.839 3.866 -16.064 1.00 0.00 O ATOM 0 H GLY A 55 10.065 6.160 -13.335 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.525 5.142 -16.117 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.678 6.407 -15.742 1.00 0.00 H new ATOM 816 N ASN A 56 11.663 4.162 -13.886 1.00 0.00 N ATOM 817 CA ASN A 56 12.726 3.144 -13.609 1.00 0.00 C ATOM 818 C ASN A 56 12.254 2.132 -12.559 1.00 0.00 C ATOM 819 O ASN A 56 11.335 2.387 -11.804 1.00 0.00 O ATOM 820 CB ASN A 56 13.912 3.950 -13.077 1.00 0.00 C ATOM 821 CG ASN A 56 14.423 4.892 -14.169 1.00 0.00 C ATOM 822 OD1 ASN A 56 14.760 4.457 -15.253 1.00 0.00 O ATOM 823 ND2 ASN A 56 14.495 6.172 -13.929 1.00 0.00 N ATOM 0 H ASN A 56 11.259 4.602 -13.059 1.00 0.00 H new ATOM 0 HA ASN A 56 12.981 2.570 -14.500 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.611 4.523 -12.200 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.709 3.277 -12.760 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.834 6.808 -14.651 1.00 0.00 H new ATOM 0 HD22 ASN A 56 14.212 6.537 -13.020 1.00 0.00 H new ATOM 830 N GLU A 57 12.885 0.984 -12.507 1.00 0.00 N ATOM 831 CA GLU A 57 12.490 -0.055 -11.507 1.00 0.00 C ATOM 832 C GLU A 57 13.696 -0.434 -10.638 1.00 0.00 C ATOM 833 O GLU A 57 14.738 -0.809 -11.142 1.00 0.00 O ATOM 834 CB GLU A 57 12.031 -1.252 -12.340 1.00 0.00 C ATOM 835 CG GLU A 57 11.507 -2.350 -11.412 1.00 0.00 C ATOM 836 CD GLU A 57 10.954 -3.509 -12.246 1.00 0.00 C ATOM 837 OE1 GLU A 57 11.482 -3.746 -13.321 1.00 0.00 O ATOM 838 OE2 GLU A 57 10.013 -4.141 -11.795 1.00 0.00 O ATOM 0 H GLU A 57 13.659 0.722 -13.117 1.00 0.00 H new ATOM 0 HA GLU A 57 11.708 0.294 -10.832 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.250 -0.946 -13.036 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.860 -1.631 -12.938 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.308 -2.705 -10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.727 -1.951 -10.764 1.00 0.00 H new ATOM 845 N LEU A 58 13.561 -0.336 -9.338 1.00 0.00 N ATOM 846 CA LEU A 58 14.700 -0.686 -8.431 1.00 0.00 C ATOM 847 C LEU A 58 14.735 -2.184 -8.135 1.00 0.00 C ATOM 848 O LEU A 58 13.816 -2.918 -8.445 1.00 0.00 O ATOM 849 CB LEU A 58 14.450 0.079 -7.135 1.00 0.00 C ATOM 850 CG LEU A 58 14.656 1.576 -7.353 1.00 0.00 C ATOM 851 CD1 LEU A 58 14.318 2.312 -6.058 1.00 0.00 C ATOM 852 CD2 LEU A 58 16.116 1.846 -7.725 1.00 0.00 C ATOM 0 H LEU A 58 12.711 -0.029 -8.865 1.00 0.00 H new ATOM 0 HA LEU A 58 15.652 -0.427 -8.893 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.435 -0.108 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 58 15.126 -0.278 -6.358 1.00 0.00 H new ATOM 0 HG LEU A 58 14.011 1.924 -8.160 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.461 3.383 -6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.280 2.117 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.972 1.962 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 58 16.260 2.915 -7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 58 16.766 1.505 -6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 58 16.363 1.310 -8.641 1.00 0.00 H new ATOM 864 N THR A 59 15.797 -2.629 -7.519 1.00 0.00 N ATOM 865 CA THR A 59 15.942 -4.055 -7.168 1.00 0.00 C ATOM 866 C THR A 59 15.842 -4.218 -5.648 1.00 0.00 C ATOM 867 O THR A 59 16.029 -3.273 -4.905 1.00 0.00 O ATOM 868 CB THR A 59 17.341 -4.413 -7.655 1.00 0.00 C ATOM 869 OG1 THR A 59 18.303 -3.598 -6.990 1.00 0.00 O ATOM 870 CG2 THR A 59 17.438 -4.222 -9.174 1.00 0.00 C ATOM 0 H THR A 59 16.584 -2.043 -7.242 1.00 0.00 H new ATOM 0 HA THR A 59 15.175 -4.691 -7.610 1.00 0.00 H new ATOM 0 HB THR A 59 17.543 -5.459 -7.426 1.00 0.00 H new ATOM 0 HG1 THR A 59 19.202 -3.831 -7.303 1.00 0.00 H new ATOM 0 HG21 THR A 59 18.442 -4.481 -9.510 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.712 -4.867 -9.669 1.00 0.00 H new ATOM 0 HG23 THR A 59 17.229 -3.182 -9.424 1.00 0.00 H new ATOM 878 N PHE A 60 15.548 -5.403 -5.184 1.00 0.00 N ATOM 879 CA PHE A 60 15.435 -5.627 -3.711 1.00 0.00 C ATOM 880 C PHE A 60 16.728 -6.266 -3.184 1.00 0.00 C ATOM 881 O PHE A 60 17.262 -7.190 -3.766 1.00 0.00 O ATOM 882 CB PHE A 60 14.221 -6.543 -3.553 1.00 0.00 C ATOM 883 CG PHE A 60 12.986 -5.811 -4.051 1.00 0.00 C ATOM 884 CD1 PHE A 60 12.698 -4.494 -3.590 1.00 0.00 C ATOM 885 CD2 PHE A 60 12.114 -6.436 -4.984 1.00 0.00 C ATOM 886 CE1 PHE A 60 11.544 -3.809 -4.061 1.00 0.00 C ATOM 887 CE2 PHE A 60 10.958 -5.749 -5.452 1.00 0.00 C ATOM 888 CZ PHE A 60 10.674 -4.438 -4.990 1.00 0.00 C ATOM 0 H PHE A 60 15.381 -6.227 -5.761 1.00 0.00 H new ATOM 0 HA PHE A 60 15.304 -4.709 -3.139 1.00 0.00 H new ATOM 0 HB2 PHE A 60 14.367 -7.464 -4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.096 -6.826 -2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 60 13.357 -4.015 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 60 12.329 -7.433 -5.338 1.00 0.00 H new ATOM 0 HE1 PHE A 60 11.329 -2.810 -3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.296 -6.227 -6.160 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.796 -3.919 -5.345 1.00 0.00 H new ATOM 898 N LEU A 61 17.257 -5.732 -2.113 1.00 0.00 N ATOM 899 CA LEU A 61 18.552 -6.244 -1.551 1.00 0.00 C ATOM 900 C LEU A 61 18.490 -7.725 -1.144 1.00 0.00 C ATOM 901 O LEU A 61 19.417 -8.470 -1.403 1.00 0.00 O ATOM 902 CB LEU A 61 18.821 -5.368 -0.322 1.00 0.00 C ATOM 903 CG LEU A 61 20.178 -5.730 0.290 1.00 0.00 C ATOM 904 CD1 LEU A 61 21.295 -5.404 -0.706 1.00 0.00 C ATOM 905 CD2 LEU A 61 20.390 -4.920 1.572 1.00 0.00 C ATOM 0 H LEU A 61 16.846 -4.955 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 61 19.341 -6.189 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 61 18.809 -4.316 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 61 18.031 -5.508 0.415 1.00 0.00 H new ATOM 0 HG LEU A 61 20.198 -6.795 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 61 22.259 -5.662 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 61 21.146 -5.978 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 61 21.276 -4.339 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 61 21.355 -5.176 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.369 -3.856 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 61 19.597 -5.151 2.283 1.00 0.00 H new ATOM 917 N ASP A 62 17.441 -8.155 -0.484 1.00 0.00 N ATOM 918 CA ASP A 62 17.383 -9.588 -0.045 1.00 0.00 C ATOM 919 C ASP A 62 15.978 -10.178 -0.197 1.00 0.00 C ATOM 920 O ASP A 62 15.127 -9.625 -0.865 1.00 0.00 O ATOM 921 CB ASP A 62 17.804 -9.561 1.431 1.00 0.00 C ATOM 922 CG ASP A 62 16.812 -8.732 2.264 1.00 0.00 C ATOM 923 OD1 ASP A 62 15.900 -8.158 1.687 1.00 0.00 O ATOM 924 OD2 ASP A 62 16.983 -8.687 3.471 1.00 0.00 O ATOM 0 H ASP A 62 16.633 -7.586 -0.233 1.00 0.00 H new ATOM 0 HA ASP A 62 18.031 -10.218 -0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 62 17.852 -10.578 1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 62 18.805 -9.138 1.521 1.00 0.00 H new ATOM 929 N ASP A 63 15.744 -11.318 0.418 1.00 0.00 N ATOM 930 CA ASP A 63 14.407 -11.990 0.327 1.00 0.00 C ATOM 931 C ASP A 63 14.033 -12.227 -1.137 1.00 0.00 C ATOM 932 O ASP A 63 13.007 -11.779 -1.610 1.00 0.00 O ATOM 933 CB ASP A 63 13.413 -11.043 1.001 1.00 0.00 C ATOM 934 CG ASP A 63 13.762 -10.900 2.488 1.00 0.00 C ATOM 935 OD1 ASP A 63 14.321 -11.834 3.042 1.00 0.00 O ATOM 936 OD2 ASP A 63 13.459 -9.861 3.050 1.00 0.00 O ATOM 0 H ASP A 63 16.431 -11.815 0.985 1.00 0.00 H new ATOM 0 HA ASP A 63 14.410 -12.965 0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.439 -10.067 0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.399 -11.426 0.891 1.00 0.00 H new ATOM 941 N SER A 64 14.876 -12.930 -1.851 1.00 0.00 N ATOM 942 CA SER A 64 14.620 -13.223 -3.297 1.00 0.00 C ATOM 943 C SER A 64 14.428 -11.924 -4.083 1.00 0.00 C ATOM 944 O SER A 64 14.277 -10.858 -3.516 1.00 0.00 O ATOM 945 CB SER A 64 13.352 -14.081 -3.333 1.00 0.00 C ATOM 946 OG SER A 64 13.602 -15.315 -2.674 1.00 0.00 O ATOM 0 H SER A 64 15.746 -13.320 -1.488 1.00 0.00 H new ATOM 0 HA SER A 64 15.460 -13.743 -3.757 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.530 -13.556 -2.847 1.00 0.00 H new ATOM 0 HB3 SER A 64 13.050 -14.261 -4.365 1.00 0.00 H new ATOM 0 HG SER A 64 12.792 -15.866 -2.694 1.00 0.00 H new ATOM 952 N ILE A 67 14.440 -12.010 -5.388 1.00 0.00 N ATOM 953 CA ILE A 67 14.267 -10.787 -6.225 1.00 0.00 C ATOM 954 C ILE A 67 12.784 -10.578 -6.548 1.00 0.00 C ATOM 955 O ILE A 67 12.309 -10.979 -7.594 1.00 0.00 O ATOM 956 CB ILE A 67 15.077 -11.062 -7.489 1.00 0.00 C ATOM 957 CG1 ILE A 67 16.550 -11.186 -7.097 1.00 0.00 C ATOM 958 CG2 ILE A 67 14.908 -9.904 -8.483 1.00 0.00 C ATOM 959 CD1 ILE A 67 17.371 -11.559 -8.323 1.00 0.00 C ATOM 0 H ILE A 67 14.563 -12.877 -5.911 1.00 0.00 H new ATOM 0 HA ILE A 67 14.604 -9.880 -5.723 1.00 0.00 H new ATOM 0 HB ILE A 67 14.730 -11.982 -7.960 1.00 0.00 H new ATOM 0 HG12 ILE A 67 16.907 -10.244 -6.680 1.00 0.00 H new ATOM 0 HG13 ILE A 67 16.669 -11.943 -6.322 1.00 0.00 H new ATOM 0 HG21 ILE A 67 15.489 -10.108 -9.382 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.855 -9.802 -8.747 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.259 -8.979 -8.027 1.00 0.00 H new ATOM 0 HD11 ILE A 67 18.421 -11.648 -8.045 1.00 0.00 H new ATOM 0 HD12 ILE A 67 17.019 -12.511 -8.720 1.00 0.00 H new ATOM 0 HD13 ILE A 67 17.261 -10.786 -9.083 1.00 0.00 H new ATOM 971 N CYS A 68 12.052 -9.952 -5.659 1.00 0.00 N ATOM 972 CA CYS A 68 10.601 -9.718 -5.921 1.00 0.00 C ATOM 973 C CYS A 68 10.447 -8.717 -7.068 1.00 0.00 C ATOM 974 O CYS A 68 11.294 -7.869 -7.278 1.00 0.00 O ATOM 975 CB CYS A 68 10.031 -9.124 -4.627 1.00 0.00 C ATOM 976 SG CYS A 68 10.383 -10.221 -3.233 1.00 0.00 S ATOM 0 H CYS A 68 12.396 -9.595 -4.768 1.00 0.00 H new ATOM 0 HA CYS A 68 10.083 -10.635 -6.201 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.467 -8.141 -4.446 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.955 -8.982 -4.726 1.00 0.00 H new ATOM 981 N THR A 69 9.373 -8.807 -7.804 1.00 0.00 N ATOM 982 CA THR A 69 9.150 -7.857 -8.933 1.00 0.00 C ATOM 983 C THR A 69 7.722 -7.315 -8.864 1.00 0.00 C ATOM 984 O THR A 69 6.828 -7.988 -8.388 1.00 0.00 O ATOM 985 CB THR A 69 9.375 -8.684 -10.207 1.00 0.00 C ATOM 986 OG1 THR A 69 9.235 -7.844 -11.344 1.00 0.00 O ATOM 987 CG2 THR A 69 8.359 -9.831 -10.289 1.00 0.00 C ATOM 0 H THR A 69 8.637 -9.500 -7.672 1.00 0.00 H new ATOM 0 HA THR A 69 9.819 -6.997 -8.904 1.00 0.00 H new ATOM 0 HB THR A 69 10.379 -9.107 -10.180 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.380 -8.369 -12.159 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.533 -10.407 -11.198 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.472 -10.480 -9.421 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.349 -9.422 -10.306 1.00 0.00 H new ATOM 995 N GLY A 70 7.496 -6.108 -9.322 1.00 0.00 N ATOM 996 CA GLY A 70 6.116 -5.546 -9.261 1.00 0.00 C ATOM 997 C GLY A 70 5.975 -4.343 -10.195 1.00 0.00 C ATOM 998 O GLY A 70 6.918 -3.911 -10.828 1.00 0.00 O ATOM 0 H GLY A 70 8.201 -5.495 -9.731 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.394 -6.314 -9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.886 -5.247 -8.239 1.00 0.00 H new ATOM 1002 N THR A 71 4.785 -3.812 -10.277 1.00 0.00 N ATOM 1003 CA THR A 71 4.521 -2.640 -11.158 1.00 0.00 C ATOM 1004 C THR A 71 3.745 -1.573 -10.380 1.00 0.00 C ATOM 1005 O THR A 71 3.218 -1.832 -9.316 1.00 0.00 O ATOM 1006 CB THR A 71 3.676 -3.198 -12.293 1.00 0.00 C ATOM 1007 OG1 THR A 71 4.397 -4.215 -12.972 1.00 0.00 O ATOM 1008 CG2 THR A 71 3.297 -2.093 -13.273 1.00 0.00 C ATOM 0 H THR A 71 3.971 -4.147 -9.761 1.00 0.00 H new ATOM 0 HA THR A 71 5.434 -2.169 -11.522 1.00 0.00 H new ATOM 0 HB THR A 71 2.762 -3.619 -11.873 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.849 -4.573 -13.701 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.693 -2.512 -14.078 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.725 -1.325 -12.752 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.202 -1.651 -13.691 1.00 0.00 H new ATOM 1016 N SER A 72 3.670 -0.383 -10.911 1.00 0.00 N ATOM 1017 CA SER A 72 2.923 0.712 -10.217 1.00 0.00 C ATOM 1018 C SER A 72 2.363 1.707 -11.240 1.00 0.00 C ATOM 1019 O SER A 72 2.929 2.760 -11.465 1.00 0.00 O ATOM 1020 CB SER A 72 3.952 1.392 -9.315 1.00 0.00 C ATOM 1021 OG SER A 72 3.312 2.410 -8.558 1.00 0.00 O ATOM 0 H SER A 72 4.095 -0.118 -11.800 1.00 0.00 H new ATOM 0 HA SER A 72 2.074 0.331 -9.649 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.409 0.660 -8.649 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.754 1.820 -9.917 1.00 0.00 H new ATOM 0 HG SER A 72 3.969 2.847 -7.977 1.00 0.00 H new ATOM 1027 N SER A 73 1.255 1.380 -11.858 1.00 0.00 N ATOM 1028 CA SER A 73 0.651 2.303 -12.867 1.00 0.00 C ATOM 1029 C SER A 73 -0.838 2.518 -12.573 1.00 0.00 C ATOM 1030 O SER A 73 -1.525 1.618 -12.128 1.00 0.00 O ATOM 1031 CB SER A 73 0.834 1.596 -14.209 1.00 0.00 C ATOM 1032 OG SER A 73 2.223 1.473 -14.489 1.00 0.00 O ATOM 0 H SER A 73 0.742 0.512 -11.706 1.00 0.00 H new ATOM 0 HA SER A 73 1.120 3.287 -12.855 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.368 0.611 -14.181 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.340 2.160 -15.001 1.00 0.00 H new ATOM 0 HG SER A 73 2.344 1.018 -15.349 1.00 0.00 H new ATOM 1038 N GLY A 74 -1.339 3.702 -12.827 1.00 0.00 N ATOM 1039 CA GLY A 74 -2.785 3.979 -12.573 1.00 0.00 C ATOM 1040 C GLY A 74 -3.055 3.959 -11.067 1.00 0.00 C ATOM 1041 O GLY A 74 -4.079 3.481 -10.621 1.00 0.00 O ATOM 0 H GLY A 74 -0.807 4.489 -13.200 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.058 4.949 -12.989 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -3.402 3.232 -13.073 1.00 0.00 H new ATOM 1045 N ASN A 75 -2.133 4.464 -10.282 1.00 0.00 N ATOM 1046 CA ASN A 75 -2.306 4.476 -8.791 1.00 0.00 C ATOM 1047 C ASN A 75 -2.534 3.052 -8.268 1.00 0.00 C ATOM 1048 O ASN A 75 -3.101 2.852 -7.212 1.00 0.00 O ATOM 1049 CB ASN A 75 -3.525 5.366 -8.507 1.00 0.00 C ATOM 1050 CG ASN A 75 -3.228 6.800 -8.950 1.00 0.00 C ATOM 1051 OD1 ASN A 75 -4.040 7.426 -9.603 1.00 0.00 O ATOM 1052 ND2 ASN A 75 -2.096 7.356 -8.614 1.00 0.00 N ATOM 0 H ASN A 75 -1.259 4.873 -10.613 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.418 4.859 -8.289 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.398 4.984 -9.037 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.763 5.345 -7.444 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.894 8.314 -8.899 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.413 6.832 -8.066 1.00 0.00 H new ATOM 1059 N GLN A 76 -2.080 2.066 -8.999 1.00 0.00 N ATOM 1060 CA GLN A 76 -2.246 0.650 -8.559 1.00 0.00 C ATOM 1061 C GLN A 76 -0.885 -0.046 -8.583 1.00 0.00 C ATOM 1062 O GLN A 76 -0.214 -0.055 -9.599 1.00 0.00 O ATOM 1063 CB GLN A 76 -3.189 0.030 -9.590 1.00 0.00 C ATOM 1064 CG GLN A 76 -4.603 0.575 -9.383 1.00 0.00 C ATOM 1065 CD GLN A 76 -5.525 0.031 -10.476 1.00 0.00 C ATOM 1066 OE1 GLN A 76 -6.099 0.787 -11.234 1.00 0.00 O ATOM 1067 NE2 GLN A 76 -5.692 -1.258 -10.590 1.00 0.00 N ATOM 0 H GLN A 76 -1.597 2.184 -9.890 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.641 0.559 -7.547 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.844 0.259 -10.598 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.189 -1.056 -9.492 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.976 0.285 -8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.592 1.665 -9.411 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.210 -1.893 -9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.304 -1.631 -11.316 1.00 0.00 H new ATOM 1076 N VAL A 77 -0.457 -0.614 -7.478 1.00 0.00 N ATOM 1077 CA VAL A 77 0.875 -1.280 -7.467 1.00 0.00 C ATOM 1078 C VAL A 77 0.716 -2.807 -7.560 1.00 0.00 C ATOM 1079 O VAL A 77 0.126 -3.436 -6.705 1.00 0.00 O ATOM 1080 CB VAL A 77 1.573 -0.832 -6.159 1.00 0.00 C ATOM 1081 CG1 VAL A 77 1.411 0.683 -5.942 1.00 0.00 C ATOM 1082 CG2 VAL A 77 1.029 -1.582 -4.934 1.00 0.00 C ATOM 0 H VAL A 77 -0.969 -0.643 -6.596 1.00 0.00 H new ATOM 0 HA VAL A 77 1.481 -0.996 -8.327 1.00 0.00 H new ATOM 0 HB VAL A 77 2.631 -1.072 -6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.910 0.973 -5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.857 1.220 -6.779 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.351 0.930 -5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.545 -1.238 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.039 -1.389 -4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.194 -2.652 -5.060 1.00 0.00 H new ATOM 1092 N ASN A 78 1.227 -3.399 -8.609 1.00 0.00 N ATOM 1093 CA ASN A 78 1.097 -4.876 -8.779 1.00 0.00 C ATOM 1094 C ASN A 78 2.384 -5.598 -8.355 1.00 0.00 C ATOM 1095 O ASN A 78 3.363 -5.600 -9.072 1.00 0.00 O ATOM 1096 CB ASN A 78 0.849 -5.064 -10.279 1.00 0.00 C ATOM 1097 CG ASN A 78 0.450 -6.515 -10.558 1.00 0.00 C ATOM 1098 OD1 ASN A 78 0.652 -7.395 -9.744 1.00 0.00 O ATOM 1099 ND2 ASN A 78 -0.114 -6.774 -11.709 1.00 0.00 N ATOM 0 H ASN A 78 1.730 -2.921 -9.357 1.00 0.00 H new ATOM 0 HA ASN A 78 0.299 -5.291 -8.163 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.061 -4.389 -10.615 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.748 -4.809 -10.841 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.393 -7.728 -11.937 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.275 -6.022 -12.379 1.00 0.00 H new ATOM 1105 N LEU A 79 2.376 -6.231 -7.205 1.00 0.00 N ATOM 1106 CA LEU A 79 3.590 -6.979 -6.745 1.00 0.00 C ATOM 1107 C LEU A 79 3.489 -8.449 -7.174 1.00 0.00 C ATOM 1108 O LEU A 79 2.470 -9.087 -6.987 1.00 0.00 O ATOM 1109 CB LEU A 79 3.595 -6.865 -5.216 1.00 0.00 C ATOM 1110 CG LEU A 79 3.962 -5.438 -4.791 1.00 0.00 C ATOM 1111 CD1 LEU A 79 3.840 -5.313 -3.274 1.00 0.00 C ATOM 1112 CD2 LEU A 79 5.405 -5.133 -5.214 1.00 0.00 C ATOM 0 H LEU A 79 1.582 -6.262 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 79 4.506 -6.576 -7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.614 -7.128 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.309 -7.573 -4.794 1.00 0.00 H new ATOM 0 HG LEU A 79 3.286 -4.730 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.101 -4.299 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.815 -5.530 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.517 -6.020 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.666 -4.119 -4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.082 -5.840 -4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.494 -5.223 -6.297 1.00 0.00 H new ATOM 1124 N THR A 80 4.533 -8.984 -7.756 1.00 0.00 N ATOM 1125 CA THR A 80 4.504 -10.408 -8.210 1.00 0.00 C ATOM 1126 C THR A 80 5.626 -11.214 -7.546 1.00 0.00 C ATOM 1127 O THR A 80 6.737 -10.741 -7.400 1.00 0.00 O ATOM 1128 CB THR A 80 4.722 -10.339 -9.722 1.00 0.00 C ATOM 1129 OG1 THR A 80 3.736 -9.497 -10.303 1.00 0.00 O ATOM 1130 CG2 THR A 80 4.618 -11.742 -10.320 1.00 0.00 C ATOM 0 H THR A 80 5.408 -8.493 -7.937 1.00 0.00 H new ATOM 0 HA THR A 80 3.569 -10.902 -7.946 1.00 0.00 H new ATOM 0 HB THR A 80 5.712 -9.934 -9.929 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.875 -9.450 -11.272 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.774 -11.691 -11.398 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.377 -12.385 -9.874 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.629 -12.152 -10.115 1.00 0.00 H new ATOM 1138 N ILE A 81 5.342 -12.432 -7.154 1.00 0.00 N ATOM 1139 CA ILE A 81 6.388 -13.284 -6.508 1.00 0.00 C ATOM 1140 C ILE A 81 6.609 -14.552 -7.333 1.00 0.00 C ATOM 1141 O ILE A 81 5.667 -15.172 -7.787 1.00 0.00 O ATOM 1142 CB ILE A 81 5.816 -13.662 -5.137 1.00 0.00 C ATOM 1143 CG1 ILE A 81 5.630 -12.403 -4.289 1.00 0.00 C ATOM 1144 CG2 ILE A 81 6.777 -14.622 -4.416 1.00 0.00 C ATOM 1145 CD1 ILE A 81 4.682 -12.714 -3.130 1.00 0.00 C ATOM 0 H ILE A 81 4.428 -12.874 -7.254 1.00 0.00 H new ATOM 0 HA ILE A 81 7.342 -12.763 -6.429 1.00 0.00 H new ATOM 0 HB ILE A 81 4.853 -14.152 -5.279 1.00 0.00 H new ATOM 0 HG12 ILE A 81 6.592 -12.062 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.225 -11.595 -4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.364 -14.887 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.905 -15.525 -5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.743 -14.136 -4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.545 -11.820 -2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.718 -13.035 -3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.106 -13.509 -2.517 1.00 0.00 H new ATOM 1157 N GLN A 82 7.841 -14.963 -7.492 1.00 0.00 N ATOM 1158 CA GLN A 82 8.108 -16.217 -8.246 1.00 0.00 C ATOM 1159 C GLN A 82 8.931 -17.176 -7.389 1.00 0.00 C ATOM 1160 O GLN A 82 10.028 -16.865 -6.965 1.00 0.00 O ATOM 1161 CB GLN A 82 8.893 -15.814 -9.483 1.00 0.00 C ATOM 1162 CG GLN A 82 8.058 -14.856 -10.330 1.00 0.00 C ATOM 1163 CD GLN A 82 8.885 -14.376 -11.525 1.00 0.00 C ATOM 1164 OE1 GLN A 82 8.593 -14.712 -12.655 1.00 0.00 O ATOM 1165 NE2 GLN A 82 9.912 -13.598 -11.321 1.00 0.00 N ATOM 0 H GLN A 82 8.667 -14.485 -7.133 1.00 0.00 H new ATOM 0 HA GLN A 82 7.182 -16.725 -8.515 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.829 -15.337 -9.193 1.00 0.00 H new ATOM 0 HB3 GLN A 82 9.153 -16.698 -10.065 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.154 -15.355 -10.677 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.741 -14.004 -9.728 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.157 -13.316 -10.372 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.470 -13.272 -12.110 1.00 0.00 H new ATOM 1174 N GLY A 83 8.406 -18.339 -7.149 1.00 0.00 N ATOM 1175 CA GLY A 83 9.140 -19.351 -6.332 1.00 0.00 C ATOM 1176 C GLY A 83 8.382 -19.634 -5.031 1.00 0.00 C ATOM 1177 O GLY A 83 8.968 -20.039 -4.045 1.00 0.00 O ATOM 0 H GLY A 83 7.491 -18.640 -7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.256 -20.273 -6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.142 -18.988 -6.105 1.00 0.00 H new ATOM 1181 N LEU A 84 7.089 -19.421 -5.018 1.00 0.00 N ATOM 1182 CA LEU A 84 6.300 -19.677 -3.777 1.00 0.00 C ATOM 1183 C LEU A 84 5.955 -21.160 -3.633 1.00 0.00 C ATOM 1184 O LEU A 84 5.439 -21.784 -4.541 1.00 0.00 O ATOM 1185 CB LEU A 84 5.026 -18.853 -3.934 1.00 0.00 C ATOM 1186 CG LEU A 84 5.361 -17.373 -3.776 1.00 0.00 C ATOM 1187 CD1 LEU A 84 4.167 -16.533 -4.225 1.00 0.00 C ATOM 1188 CD2 LEU A 84 5.671 -17.079 -2.306 1.00 0.00 C ATOM 0 H LEU A 84 6.548 -19.081 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 84 6.865 -19.403 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.580 -19.034 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.291 -19.153 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 84 6.229 -17.125 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.404 -15.475 -4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.945 -16.746 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.299 -16.777 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.911 -16.022 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.802 -17.324 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.521 -17.682 -1.986 1.00 0.00 H new ATOM 1200 N ARG A 85 6.222 -21.711 -2.483 1.00 0.00 N ATOM 1201 CA ARG A 85 5.906 -23.141 -2.224 1.00 0.00 C ATOM 1202 C ARG A 85 4.663 -23.237 -1.340 1.00 0.00 C ATOM 1203 O ARG A 85 4.097 -22.233 -0.948 1.00 0.00 O ATOM 1204 CB ARG A 85 7.122 -23.692 -1.500 1.00 0.00 C ATOM 1205 CG ARG A 85 8.279 -23.757 -2.491 1.00 0.00 C ATOM 1206 CD ARG A 85 9.492 -24.395 -1.829 1.00 0.00 C ATOM 1207 NE ARG A 85 9.163 -25.850 -1.698 1.00 0.00 N ATOM 1208 CZ ARG A 85 8.656 -26.358 -0.589 1.00 0.00 C ATOM 1209 NH1 ARG A 85 8.346 -25.607 0.443 1.00 0.00 N ATOM 1210 NH2 ARG A 85 8.438 -27.643 -0.524 1.00 0.00 N ATOM 0 H ARG A 85 6.653 -21.222 -1.699 1.00 0.00 H new ATOM 0 HA ARG A 85 5.699 -23.697 -3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.381 -23.055 -0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.909 -24.683 -1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.986 -24.335 -3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.529 -22.754 -2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.389 -24.249 -2.431 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.686 -23.948 -0.854 1.00 0.00 H new ATOM 0 HE ARG A 85 9.336 -26.469 -2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.495 -24.599 0.403 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.956 -26.032 1.284 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.659 -28.239 -1.322 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.047 -28.052 0.325 1.00 0.00 H new ATOM 1224 N ALA A 86 4.239 -24.430 -1.012 1.00 0.00 N ATOM 1225 CA ALA A 86 3.033 -24.586 -0.136 1.00 0.00 C ATOM 1226 C ALA A 86 3.284 -23.904 1.209 1.00 0.00 C ATOM 1227 O ALA A 86 2.441 -23.209 1.743 1.00 0.00 O ATOM 1228 CB ALA A 86 2.891 -26.092 0.073 1.00 0.00 C ATOM 0 H ALA A 86 4.673 -25.303 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 86 2.140 -24.142 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.027 -26.291 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.755 -26.582 -0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.790 -26.479 0.553 1.00 0.00 H new ATOM 1234 N MET A 87 4.448 -24.116 1.749 1.00 0.00 N ATOM 1235 CA MET A 87 4.813 -23.510 3.062 1.00 0.00 C ATOM 1236 C MET A 87 4.894 -21.981 2.971 1.00 0.00 C ATOM 1237 O MET A 87 4.653 -21.284 3.939 1.00 0.00 O ATOM 1238 CB MET A 87 6.184 -24.101 3.382 1.00 0.00 C ATOM 1239 CG MET A 87 6.040 -25.589 3.709 1.00 0.00 C ATOM 1240 SD MET A 87 5.049 -25.783 5.211 1.00 0.00 S ATOM 1241 CE MET A 87 3.473 -26.147 4.399 1.00 0.00 C ATOM 0 H MET A 87 5.177 -24.694 1.330 1.00 0.00 H new ATOM 0 HA MET A 87 4.070 -23.724 3.830 1.00 0.00 H new ATOM 0 HB2 MET A 87 6.855 -23.968 2.533 1.00 0.00 H new ATOM 0 HB3 MET A 87 6.630 -23.575 4.226 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.566 -26.111 2.878 1.00 0.00 H new ATOM 0 HG3 MET A 87 7.023 -26.039 3.848 1.00 0.00 H new ATOM 0 HE1 MET A 87 2.727 -25.415 4.707 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.602 -26.101 3.318 1.00 0.00 H new ATOM 0 HE3 MET A 87 3.140 -27.145 4.682 1.00 0.00 H new ATOM 1251 N ASP A 88 5.254 -21.460 1.827 1.00 0.00 N ATOM 1252 CA ASP A 88 5.375 -19.974 1.677 1.00 0.00 C ATOM 1253 C ASP A 88 4.012 -19.280 1.767 1.00 0.00 C ATOM 1254 O ASP A 88 3.942 -18.084 1.979 1.00 0.00 O ATOM 1255 CB ASP A 88 6.005 -19.752 0.303 1.00 0.00 C ATOM 1256 CG ASP A 88 7.469 -20.209 0.327 1.00 0.00 C ATOM 1257 OD1 ASP A 88 8.072 -20.164 1.389 1.00 0.00 O ATOM 1258 OD2 ASP A 88 7.963 -20.596 -0.719 1.00 0.00 O ATOM 0 H ASP A 88 5.470 -21.998 0.988 1.00 0.00 H new ATOM 0 HA ASP A 88 5.979 -19.548 2.478 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.453 -20.307 -0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.947 -18.698 0.031 1.00 0.00 H new ATOM 1263 N THR A 89 2.924 -20.007 1.616 1.00 0.00 N ATOM 1264 CA THR A 89 1.576 -19.375 1.702 1.00 0.00 C ATOM 1265 C THR A 89 1.453 -18.587 3.004 1.00 0.00 C ATOM 1266 O THR A 89 1.926 -19.009 4.043 1.00 0.00 O ATOM 1267 CB THR A 89 0.584 -20.522 1.677 1.00 0.00 C ATOM 1268 OG1 THR A 89 0.798 -21.312 0.516 1.00 0.00 O ATOM 1269 CG2 THR A 89 -0.843 -19.972 1.670 1.00 0.00 C ATOM 0 H THR A 89 2.919 -21.011 1.437 1.00 0.00 H new ATOM 0 HA THR A 89 1.398 -18.677 0.884 1.00 0.00 H new ATOM 0 HB THR A 89 0.725 -21.139 2.564 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.380 -22.068 0.738 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.552 -20.800 1.652 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.007 -19.374 2.566 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.989 -19.350 0.787 1.00 0.00 H new ATOM 1277 N GLY A 90 0.842 -17.442 2.945 1.00 0.00 N ATOM 1278 CA GLY A 90 0.704 -16.604 4.175 1.00 0.00 C ATOM 1279 C GLY A 90 0.267 -15.188 3.802 1.00 0.00 C ATOM 1280 O GLY A 90 -0.195 -14.944 2.706 1.00 0.00 O ATOM 0 H GLY A 90 0.430 -17.045 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.026 -17.052 4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.653 -16.571 4.710 1.00 0.00 H new ATOM 1284 N LEU A 91 0.393 -14.260 4.720 1.00 0.00 N ATOM 1285 CA LEU A 91 -0.038 -12.857 4.447 1.00 0.00 C ATOM 1286 C LEU A 91 1.114 -11.976 3.950 1.00 0.00 C ATOM 1287 O LEU A 91 2.176 -11.920 4.540 1.00 0.00 O ATOM 1288 CB LEU A 91 -0.542 -12.344 5.796 1.00 0.00 C ATOM 1289 CG LEU A 91 -1.111 -10.934 5.628 1.00 0.00 C ATOM 1290 CD1 LEU A 91 -2.495 -11.016 4.986 1.00 0.00 C ATOM 1291 CD2 LEU A 91 -1.218 -10.265 6.993 1.00 0.00 C ATOM 0 H LEU A 91 0.778 -14.417 5.651 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.792 -12.826 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.309 -13.012 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.272 -12.335 6.520 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.451 -10.348 4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.901 -10.011 4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.415 -11.494 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.158 -11.601 5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.623 -9.260 6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.878 -10.850 7.634 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.229 -10.206 7.448 1.00 0.00 H new ATOM 1303 N TYR A 92 0.873 -11.249 2.890 1.00 0.00 N ATOM 1304 CA TYR A 92 1.899 -10.310 2.351 1.00 0.00 C ATOM 1305 C TYR A 92 1.341 -8.887 2.414 1.00 0.00 C ATOM 1306 O TYR A 92 0.196 -8.653 2.079 1.00 0.00 O ATOM 1307 CB TYR A 92 2.149 -10.747 0.907 1.00 0.00 C ATOM 1308 CG TYR A 92 2.955 -12.022 0.909 1.00 0.00 C ATOM 1309 CD1 TYR A 92 2.307 -13.285 0.980 1.00 0.00 C ATOM 1310 CD2 TYR A 92 4.373 -11.953 0.847 1.00 0.00 C ATOM 1311 CE1 TYR A 92 3.080 -14.479 0.988 1.00 0.00 C ATOM 1312 CE2 TYR A 92 5.145 -13.144 0.856 1.00 0.00 C ATOM 1313 CZ TYR A 92 4.499 -14.408 0.926 1.00 0.00 C ATOM 1314 OH TYR A 92 5.248 -15.567 0.935 1.00 0.00 O ATOM 0 H TYR A 92 -0.004 -11.267 2.369 1.00 0.00 H new ATOM 0 HA TYR A 92 2.830 -10.326 2.918 1.00 0.00 H new ATOM 0 HB2 TYR A 92 1.201 -10.902 0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.682 -9.966 0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.229 -13.338 1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.864 -10.993 0.793 1.00 0.00 H new ATOM 0 HE1 TYR A 92 2.589 -15.440 1.041 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.223 -13.090 0.810 1.00 0.00 H new ATOM 0 HH TYR A 92 4.711 -16.301 1.300 1.00 0.00 H new ATOM 1324 N ILE A 93 2.125 -7.945 2.875 1.00 0.00 N ATOM 1325 CA ILE A 93 1.621 -6.543 3.002 1.00 0.00 C ATOM 1326 C ILE A 93 2.081 -5.671 1.843 1.00 0.00 C ATOM 1327 O ILE A 93 3.216 -5.719 1.428 1.00 0.00 O ATOM 1328 CB ILE A 93 2.216 -6.006 4.316 1.00 0.00 C ATOM 1329 CG1 ILE A 93 1.664 -6.800 5.500 1.00 0.00 C ATOM 1330 CG2 ILE A 93 1.852 -4.515 4.506 1.00 0.00 C ATOM 1331 CD1 ILE A 93 2.400 -8.133 5.636 1.00 0.00 C ATOM 0 H ILE A 93 3.092 -8.086 3.169 1.00 0.00 H new ATOM 0 HA ILE A 93 0.531 -6.526 2.994 1.00 0.00 H new ATOM 0 HB ILE A 93 3.300 -6.112 4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.774 -6.221 6.417 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.598 -6.978 5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.281 -4.152 5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.250 -3.934 3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.768 -4.406 4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.996 -8.687 6.483 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.268 -8.716 4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.462 -7.947 5.797 1.00 0.00 H new ATOM 1343 N CYS A 94 1.204 -4.832 1.374 1.00 0.00 N ATOM 1344 CA CYS A 94 1.564 -3.881 0.296 1.00 0.00 C ATOM 1345 C CYS A 94 1.635 -2.494 0.933 1.00 0.00 C ATOM 1346 O CYS A 94 0.626 -1.925 1.301 1.00 0.00 O ATOM 1347 CB CYS A 94 0.422 -3.961 -0.711 1.00 0.00 C ATOM 1348 SG CYS A 94 -1.074 -3.262 0.029 1.00 0.00 S ATOM 0 H CYS A 94 0.239 -4.766 1.698 1.00 0.00 H new ATOM 0 HA CYS A 94 2.515 -4.096 -0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.682 -3.416 -1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.249 -4.997 -1.001 1.00 0.00 H new ATOM 1353 N LYS A 95 2.815 -1.959 1.088 1.00 0.00 N ATOM 1354 CA LYS A 95 2.954 -0.621 1.728 1.00 0.00 C ATOM 1355 C LYS A 95 3.262 0.415 0.659 1.00 0.00 C ATOM 1356 O LYS A 95 3.977 0.135 -0.282 1.00 0.00 O ATOM 1357 CB LYS A 95 4.115 -0.771 2.706 1.00 0.00 C ATOM 1358 CG LYS A 95 3.757 -1.799 3.783 1.00 0.00 C ATOM 1359 CD LYS A 95 3.883 -1.151 5.155 1.00 0.00 C ATOM 1360 CE LYS A 95 3.385 -2.120 6.229 1.00 0.00 C ATOM 1361 NZ LYS A 95 3.515 -1.377 7.513 1.00 0.00 N ATOM 0 H LYS A 95 3.691 -2.393 0.798 1.00 0.00 H new ATOM 0 HA LYS A 95 2.049 -0.293 2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.012 -1.086 2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.340 0.190 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.741 -2.163 3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.419 -2.662 3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.922 -0.882 5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.304 -0.228 5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.351 -2.413 6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.978 -3.034 6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.985 -1.981 8.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.080 -0.517 7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.570 -1.113 7.859 1.00 0.00 H new ATOM 1375 N VAL A 96 2.704 1.591 0.774 1.00 0.00 N ATOM 1376 CA VAL A 96 2.942 2.632 -0.269 1.00 0.00 C ATOM 1377 C VAL A 96 3.218 3.987 0.397 1.00 0.00 C ATOM 1378 O VAL A 96 2.339 4.579 1.009 1.00 0.00 O ATOM 1379 CB VAL A 96 1.638 2.676 -1.084 1.00 0.00 C ATOM 1380 CG1 VAL A 96 1.865 3.473 -2.370 1.00 0.00 C ATOM 1381 CG2 VAL A 96 1.182 1.247 -1.441 1.00 0.00 C ATOM 0 H VAL A 96 2.096 1.875 1.542 1.00 0.00 H new ATOM 0 HA VAL A 96 3.804 2.409 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 96 0.864 3.156 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.941 3.504 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.170 4.489 -2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.646 2.995 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.258 1.293 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.955 0.756 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.010 0.681 -0.526 1.00 0.00 H new ATOM 1391 N GLU A 97 4.434 4.477 0.294 1.00 0.00 N ATOM 1392 CA GLU A 97 4.771 5.788 0.932 1.00 0.00 C ATOM 1393 C GLU A 97 5.512 6.715 -0.031 1.00 0.00 C ATOM 1394 O GLU A 97 6.501 6.337 -0.630 1.00 0.00 O ATOM 1395 CB GLU A 97 5.712 5.448 2.091 1.00 0.00 C ATOM 1396 CG GLU A 97 4.995 4.539 3.095 1.00 0.00 C ATOM 1397 CD GLU A 97 5.974 4.113 4.196 1.00 0.00 C ATOM 1398 OE1 GLU A 97 7.155 4.008 3.906 1.00 0.00 O ATOM 1399 OE2 GLU A 97 5.524 3.894 5.308 1.00 0.00 O ATOM 0 H GLU A 97 5.203 4.026 -0.202 1.00 0.00 H new ATOM 0 HA GLU A 97 3.861 6.300 1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.606 4.952 1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.040 6.363 2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.146 5.063 3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.599 3.660 2.586 1.00 0.00 H new ATOM 1406 N LEU A 98 5.083 7.940 -0.126 1.00 0.00 N ATOM 1407 CA LEU A 98 5.810 8.925 -0.976 1.00 0.00 C ATOM 1408 C LEU A 98 6.899 9.464 -0.059 1.00 0.00 C ATOM 1409 O LEU A 98 6.752 10.500 0.559 1.00 0.00 O ATOM 1410 CB LEU A 98 4.782 10.020 -1.322 1.00 0.00 C ATOM 1411 CG LEU A 98 3.440 9.411 -1.776 1.00 0.00 C ATOM 1412 CD1 LEU A 98 2.579 10.499 -2.411 1.00 0.00 C ATOM 1413 CD2 LEU A 98 3.670 8.283 -2.788 1.00 0.00 C ATOM 0 H LEU A 98 4.257 8.305 0.349 1.00 0.00 H new ATOM 0 HA LEU A 98 6.238 8.532 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.619 10.655 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.179 10.657 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 98 2.932 8.997 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.630 10.070 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.393 11.287 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.099 10.918 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.710 7.868 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.190 8.678 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.274 7.500 -2.329 1.00 0.00 H new ATOM 1425 N MET A 99 7.965 8.722 0.090 1.00 0.00 N ATOM 1426 CA MET A 99 9.004 9.130 1.081 1.00 0.00 C ATOM 1427 C MET A 99 9.941 10.214 0.540 1.00 0.00 C ATOM 1428 O MET A 99 10.313 11.118 1.260 1.00 0.00 O ATOM 1429 CB MET A 99 9.798 7.845 1.358 1.00 0.00 C ATOM 1430 CG MET A 99 10.742 8.053 2.553 1.00 0.00 C ATOM 1431 SD MET A 99 10.587 6.647 3.688 1.00 0.00 S ATOM 1432 CE MET A 99 8.877 6.946 4.198 1.00 0.00 C ATOM 0 H MET A 99 8.160 7.863 -0.424 1.00 0.00 H new ATOM 0 HA MET A 99 8.544 9.558 1.971 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.113 7.023 1.565 1.00 0.00 H new ATOM 0 HB3 MET A 99 10.373 7.566 0.475 1.00 0.00 H new ATOM 0 HG2 MET A 99 11.772 8.144 2.207 1.00 0.00 H new ATOM 0 HG3 MET A 99 10.496 8.981 3.069 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.755 6.667 5.245 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.640 8.003 4.074 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.204 6.348 3.583 1.00 0.00 H new ATOM 1442 N TYR A 100 10.329 10.134 -0.703 1.00 0.00 N ATOM 1443 CA TYR A 100 11.257 11.166 -1.248 1.00 0.00 C ATOM 1444 C TYR A 100 10.575 12.555 -1.429 1.00 0.00 C ATOM 1445 O TYR A 100 11.172 13.554 -1.093 1.00 0.00 O ATOM 1446 CB TYR A 100 11.769 10.611 -2.582 1.00 0.00 C ATOM 1447 CG TYR A 100 12.757 9.495 -2.322 1.00 0.00 C ATOM 1448 CD1 TYR A 100 12.292 8.179 -2.067 1.00 0.00 C ATOM 1449 CD2 TYR A 100 14.153 9.766 -2.333 1.00 0.00 C ATOM 1450 CE1 TYR A 100 13.226 7.131 -1.821 1.00 0.00 C ATOM 1451 CE2 TYR A 100 15.081 8.723 -2.090 1.00 0.00 C ATOM 1452 CZ TYR A 100 14.617 7.404 -1.832 1.00 0.00 C ATOM 1453 OH TYR A 100 15.519 6.387 -1.596 1.00 0.00 O ATOM 0 H TYR A 100 10.047 9.406 -1.360 1.00 0.00 H new ATOM 0 HA TYR A 100 12.074 11.349 -0.550 1.00 0.00 H new ATOM 0 HB2 TYR A 100 10.935 10.240 -3.177 1.00 0.00 H new ATOM 0 HB3 TYR A 100 12.245 11.404 -3.159 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.232 7.972 -2.059 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.506 10.768 -2.527 1.00 0.00 H new ATOM 0 HE1 TYR A 100 12.874 6.129 -1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 100 16.141 8.930 -2.101 1.00 0.00 H new ATOM 0 HH TYR A 100 16.431 6.742 -1.640 1.00 0.00 H new ATOM 1463 N PRO A 101 9.377 12.589 -1.997 1.00 0.00 N ATOM 1464 CA PRO A 101 8.667 13.902 -2.206 1.00 0.00 C ATOM 1465 C PRO A 101 7.961 14.392 -0.860 1.00 0.00 C ATOM 1466 O PRO A 101 7.394 13.573 -0.172 1.00 0.00 O ATOM 1467 CB PRO A 101 7.655 13.532 -3.299 1.00 0.00 C ATOM 1468 CG PRO A 101 7.360 12.080 -3.085 1.00 0.00 C ATOM 1469 CD PRO A 101 8.578 11.447 -2.459 1.00 0.00 C ATOM 0 HA PRO A 101 9.317 14.732 -2.484 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.750 14.134 -3.218 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.067 13.708 -4.293 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.492 11.958 -2.438 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.122 11.595 -4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.306 10.790 -1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 101 9.128 10.841 -3.180 1.00 0.00 H new ATOM 1477 N PRO A 102 8.137 15.666 -0.512 1.00 0.00 N ATOM 1478 CA PRO A 102 7.480 16.324 0.715 1.00 0.00 C ATOM 1479 C PRO A 102 6.082 17.002 0.438 1.00 0.00 C ATOM 1480 O PRO A 102 5.967 17.234 -0.691 1.00 0.00 O ATOM 1481 CB PRO A 102 8.591 17.376 1.004 1.00 0.00 C ATOM 1482 CG PRO A 102 9.175 17.726 -0.340 1.00 0.00 C ATOM 1483 CD PRO A 102 8.724 16.741 -1.350 1.00 0.00 C ATOM 0 HA PRO A 102 7.221 15.633 1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 102 8.178 18.258 1.494 1.00 0.00 H new ATOM 0 HB3 PRO A 102 9.353 16.969 1.669 1.00 0.00 H new ATOM 0 HG2 PRO A 102 8.865 18.729 -0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 102 10.264 17.732 -0.284 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.991 17.168 -2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 102 9.552 16.375 -1.958 1.00 0.00 H new ATOM 1491 N PRO A 103 4.975 16.988 1.379 1.00 0.00 N ATOM 1492 CA PRO A 103 5.770 16.454 2.604 1.00 0.00 C ATOM 1493 C PRO A 103 5.331 15.024 2.948 1.00 0.00 C ATOM 1494 O PRO A 103 4.899 14.712 4.061 1.00 0.00 O ATOM 1495 CB PRO A 103 5.646 17.429 3.812 1.00 0.00 C ATOM 1496 CG PRO A 103 4.507 18.150 3.450 1.00 0.00 C ATOM 1497 CD PRO A 103 3.876 17.420 2.399 1.00 0.00 C ATOM 0 HA PRO A 103 6.829 16.408 2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.518 16.902 4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.523 18.068 3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.834 18.263 4.300 1.00 0.00 H new ATOM 0 HG3 PRO A 103 4.773 19.154 3.118 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.363 16.545 2.798 1.00 0.00 H new ATOM 0 HD3 PRO A 103 3.122 18.035 1.908 1.00 0.00 H new ATOM 1505 N TYR A 104 5.435 14.125 1.996 1.00 0.00 N ATOM 1506 CA TYR A 104 5.037 12.705 2.190 1.00 0.00 C ATOM 1507 C TYR A 104 3.589 12.580 2.791 1.00 0.00 C ATOM 1508 O TYR A 104 3.285 13.054 3.855 1.00 0.00 O ATOM 1509 CB TYR A 104 6.080 12.183 3.146 1.00 0.00 C ATOM 1510 CG TYR A 104 5.828 10.763 3.545 1.00 0.00 C ATOM 1511 CD1 TYR A 104 5.179 9.894 2.647 1.00 0.00 C ATOM 1512 CD2 TYR A 104 6.227 10.309 4.830 1.00 0.00 C ATOM 1513 CE1 TYR A 104 4.918 8.563 3.009 1.00 0.00 C ATOM 1514 CE2 TYR A 104 5.962 8.969 5.211 1.00 0.00 C ATOM 1515 CZ TYR A 104 5.304 8.093 4.298 1.00 0.00 C ATOM 1516 OH TYR A 104 5.037 6.794 4.655 1.00 0.00 O ATOM 0 H TYR A 104 5.792 14.332 1.063 1.00 0.00 H new ATOM 0 HA TYR A 104 4.996 12.146 1.255 1.00 0.00 H new ATOM 0 HB2 TYR A 104 7.064 12.258 2.683 1.00 0.00 H new ATOM 0 HB3 TYR A 104 6.099 12.810 4.037 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.880 10.254 1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 104 6.729 10.979 5.512 1.00 0.00 H new ATOM 0 HE1 TYR A 104 4.427 7.898 2.314 1.00 0.00 H new ATOM 0 HE2 TYR A 104 6.257 8.614 6.187 1.00 0.00 H new ATOM 0 HH TYR A 104 5.364 6.631 5.564 1.00 0.00 H new ATOM 1526 N TYR A 105 2.686 11.914 2.096 1.00 0.00 N ATOM 1527 CA TYR A 105 1.292 11.716 2.608 1.00 0.00 C ATOM 1528 C TYR A 105 0.694 10.542 1.853 1.00 0.00 C ATOM 1529 O TYR A 105 0.388 10.646 0.686 1.00 0.00 O ATOM 1530 CB TYR A 105 0.547 12.986 2.276 1.00 0.00 C ATOM 1531 CG TYR A 105 -0.816 12.913 2.846 1.00 0.00 C ATOM 1532 CD1 TYR A 105 -1.818 12.242 2.116 1.00 0.00 C ATOM 1533 CD2 TYR A 105 -1.104 13.521 4.087 1.00 0.00 C ATOM 1534 CE1 TYR A 105 -3.127 12.176 2.627 1.00 0.00 C ATOM 1535 CE2 TYR A 105 -2.415 13.456 4.607 1.00 0.00 C ATOM 1536 CZ TYR A 105 -3.426 12.787 3.876 1.00 0.00 C ATOM 1537 OH TYR A 105 -4.696 12.719 4.377 1.00 0.00 O ATOM 0 H TYR A 105 2.864 11.495 1.183 1.00 0.00 H new ATOM 0 HA TYR A 105 1.248 11.513 3.678 1.00 0.00 H new ATOM 0 HB2 TYR A 105 1.077 13.849 2.679 1.00 0.00 H new ATOM 0 HB3 TYR A 105 0.496 13.120 1.195 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -1.582 11.781 1.169 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -0.327 14.033 4.635 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -3.901 11.664 2.074 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -2.645 13.914 5.557 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.733 13.185 5.238 1.00 0.00 H new ATOM 1547 N LEU A 106 0.557 9.432 2.505 1.00 0.00 N ATOM 1548 CA LEU A 106 0.001 8.227 1.822 1.00 0.00 C ATOM 1549 C LEU A 106 -0.543 7.220 2.842 1.00 0.00 C ATOM 1550 O LEU A 106 -1.032 7.608 3.884 1.00 0.00 O ATOM 1551 CB LEU A 106 1.165 7.636 1.012 1.00 0.00 C ATOM 1552 CG LEU A 106 0.655 7.263 -0.377 1.00 0.00 C ATOM 1553 CD1 LEU A 106 0.236 8.527 -1.136 1.00 0.00 C ATOM 1554 CD2 LEU A 106 1.768 6.568 -1.141 1.00 0.00 C ATOM 0 H LEU A 106 0.805 9.299 3.485 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.840 8.481 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.977 8.359 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.568 6.757 1.515 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.205 6.600 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.127 8.253 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.557 9.035 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.093 9.193 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.413 6.297 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.622 7.239 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.069 5.667 -0.606 1.00 0.00 H new ATOM 1566 N GLY A 108 -0.490 5.934 2.547 1.00 0.00 N ATOM 1567 CA GLY A 108 -1.048 4.925 3.502 1.00 0.00 C ATOM 1568 C GLY A 108 -0.425 3.549 3.240 1.00 0.00 C ATOM 1569 O GLY A 108 0.451 3.401 2.413 1.00 0.00 O ATOM 0 H GLY A 108 -0.087 5.548 1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.847 5.234 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.131 4.869 3.392 1.00 0.00 H new ATOM 1573 N ILE A 109 -0.870 2.538 3.954 1.00 0.00 N ATOM 1574 CA ILE A 109 -0.316 1.165 3.778 1.00 0.00 C ATOM 1575 C ILE A 109 -1.441 0.146 3.513 1.00 0.00 C ATOM 1576 O ILE A 109 -2.592 0.395 3.812 1.00 0.00 O ATOM 1577 CB ILE A 109 0.358 0.889 5.096 1.00 0.00 C ATOM 1578 CG1 ILE A 109 1.545 1.828 5.187 1.00 0.00 C ATOM 1579 CG2 ILE A 109 0.835 -0.562 5.163 1.00 0.00 C ATOM 1580 CD1 ILE A 109 2.214 1.672 6.525 1.00 0.00 C ATOM 0 H ILE A 109 -1.603 2.613 4.659 1.00 0.00 H new ATOM 0 HA ILE A 109 0.361 1.086 2.928 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.335 1.046 5.922 1.00 0.00 H new ATOM 0 HG12 ILE A 109 2.254 1.612 4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 109 1.217 2.859 5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 109 1.319 -0.742 6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.019 -1.231 5.056 1.00 0.00 H new ATOM 0 HG23 ILE A 109 1.545 -0.749 4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.067 2.348 6.587 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.504 1.910 7.317 1.00 0.00 H new ATOM 0 HD13 ILE A 109 2.557 0.644 6.643 1.00 0.00 H new ATOM 1592 N GLY A 110 -1.099 -1.014 3.002 1.00 0.00 N ATOM 1593 CA GLY A 110 -2.125 -2.074 2.768 1.00 0.00 C ATOM 1594 C GLY A 110 -2.051 -3.037 3.949 1.00 0.00 C ATOM 1595 O GLY A 110 -0.971 -3.406 4.373 1.00 0.00 O ATOM 0 H GLY A 110 -0.148 -1.270 2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.120 -1.636 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.932 -2.597 1.831 1.00 0.00 H new ATOM 1599 N ASN A 111 -3.169 -3.429 4.507 1.00 0.00 N ATOM 1600 CA ASN A 111 -3.120 -4.350 5.682 1.00 0.00 C ATOM 1601 C ASN A 111 -2.422 -5.659 5.312 1.00 0.00 C ATOM 1602 O ASN A 111 -1.698 -6.227 6.108 1.00 0.00 O ATOM 1603 CB ASN A 111 -4.574 -4.605 6.088 1.00 0.00 C ATOM 1604 CG ASN A 111 -5.112 -3.422 6.889 1.00 0.00 C ATOM 1605 OD1 ASN A 111 -6.158 -2.881 6.590 1.00 0.00 O ATOM 1606 ND2 ASN A 111 -4.407 -3.017 7.907 1.00 0.00 N ATOM 0 H ASN A 111 -4.103 -3.155 4.204 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.554 -3.913 6.504 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.186 -4.760 5.199 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.639 -5.516 6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.730 -2.231 8.471 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.532 -3.486 8.140 1.00 0.00 H new ATOM 1612 N GLY A 112 -2.614 -6.129 4.106 1.00 0.00 N ATOM 1613 CA GLY A 112 -1.935 -7.387 3.688 1.00 0.00 C ATOM 1614 C GLY A 112 -2.910 -8.376 3.054 1.00 0.00 C ATOM 1615 O GLY A 112 -3.998 -8.609 3.542 1.00 0.00 O ATOM 0 H GLY A 112 -3.208 -5.697 3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.142 -7.153 2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -1.461 -7.849 4.554 1.00 0.00 H new ATOM 1619 N THR A 113 -2.487 -8.981 1.977 1.00 0.00 N ATOM 1620 CA THR A 113 -3.324 -9.998 1.282 1.00 0.00 C ATOM 1621 C THR A 113 -2.705 -11.370 1.515 1.00 0.00 C ATOM 1622 O THR A 113 -1.497 -11.519 1.450 1.00 0.00 O ATOM 1623 CB THR A 113 -3.231 -9.647 -0.207 1.00 0.00 C ATOM 1624 OG1 THR A 113 -3.735 -8.338 -0.420 1.00 0.00 O ATOM 1625 CG2 THR A 113 -4.027 -10.665 -1.040 1.00 0.00 C ATOM 0 H THR A 113 -1.580 -8.809 1.543 1.00 0.00 H new ATOM 0 HA THR A 113 -4.355 -10.009 1.635 1.00 0.00 H new ATOM 0 HB THR A 113 -2.187 -9.682 -0.520 1.00 0.00 H new ATOM 0 HG1 THR A 113 -4.522 -8.194 0.147 1.00 0.00 H new ATOM 0 HG21 THR A 113 -3.955 -10.407 -2.096 1.00 0.00 H new ATOM 0 HG22 THR A 113 -3.619 -11.663 -0.882 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.073 -10.648 -0.733 1.00 0.00 H new ATOM 1633 N GLN A 114 -3.501 -12.375 1.760 1.00 0.00 N ATOM 1634 CA GLN A 114 -2.907 -13.726 1.962 1.00 0.00 C ATOM 1635 C GLN A 114 -2.805 -14.435 0.617 1.00 0.00 C ATOM 1636 O GLN A 114 -3.792 -14.654 -0.047 1.00 0.00 O ATOM 1637 CB GLN A 114 -3.840 -14.482 2.919 1.00 0.00 C ATOM 1638 CG GLN A 114 -3.274 -15.884 3.170 1.00 0.00 C ATOM 1639 CD GLN A 114 -3.578 -16.322 4.601 1.00 0.00 C ATOM 1640 OE1 GLN A 114 -4.561 -15.908 5.183 1.00 0.00 O ATOM 1641 NE2 GLN A 114 -2.765 -17.151 5.195 1.00 0.00 N ATOM 0 H GLN A 114 -4.517 -12.322 1.828 1.00 0.00 H new ATOM 0 HA GLN A 114 -1.903 -13.672 2.384 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -3.932 -13.940 3.860 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -4.840 -14.552 2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -3.708 -16.592 2.464 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -2.197 -15.886 3.001 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -1.941 -17.497 4.704 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.954 -17.454 6.151 1.00 0.00 H new ATOM 1650 N ILE A 115 -1.618 -14.801 0.209 1.00 0.00 N ATOM 1651 CA ILE A 115 -1.483 -15.511 -1.089 1.00 0.00 C ATOM 1652 C ILE A 115 -1.812 -16.993 -0.857 1.00 0.00 C ATOM 1653 O ILE A 115 -1.225 -17.644 -0.007 1.00 0.00 O ATOM 1654 CB ILE A 115 -0.025 -15.305 -1.527 1.00 0.00 C ATOM 1655 CG1 ILE A 115 0.201 -13.820 -1.828 1.00 0.00 C ATOM 1656 CG2 ILE A 115 0.262 -16.122 -2.790 1.00 0.00 C ATOM 1657 CD1 ILE A 115 1.697 -13.545 -1.986 1.00 0.00 C ATOM 0 H ILE A 115 -0.747 -14.640 0.715 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.156 -15.142 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 115 0.641 -15.632 -0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.328 -13.540 -2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.207 -13.210 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 115 1.298 -15.970 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 115 0.095 -17.179 -2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -0.402 -15.799 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 115 1.852 -12.487 -2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.215 -13.808 -1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.092 -14.143 -2.807 1.00 0.00 H new ATOM 1669 N TYR A 116 -2.766 -17.509 -1.587 1.00 0.00 N ATOM 1670 CA TYR A 116 -3.188 -18.935 -1.419 1.00 0.00 C ATOM 1671 C TYR A 116 -2.475 -19.851 -2.411 1.00 0.00 C ATOM 1672 O TYR A 116 -1.975 -19.419 -3.433 1.00 0.00 O ATOM 1673 CB TYR A 116 -4.694 -18.946 -1.745 1.00 0.00 C ATOM 1674 CG TYR A 116 -5.587 -18.656 -0.535 1.00 0.00 C ATOM 1675 CD1 TYR A 116 -5.057 -18.461 0.780 1.00 0.00 C ATOM 1676 CD2 TYR A 116 -6.998 -18.605 -0.732 1.00 0.00 C ATOM 1677 CE1 TYR A 116 -5.933 -18.225 1.873 1.00 0.00 C ATOM 1678 CE2 TYR A 116 -7.870 -18.366 0.356 1.00 0.00 C ATOM 1679 CZ TYR A 116 -7.341 -18.177 1.664 1.00 0.00 C ATOM 1680 OH TYR A 116 -8.190 -17.948 2.727 1.00 0.00 O ATOM 0 H TYR A 116 -3.279 -16.996 -2.304 1.00 0.00 H new ATOM 0 HA TYR A 116 -2.953 -19.291 -0.416 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -4.895 -18.206 -2.519 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -4.961 -19.919 -2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -3.990 -18.493 0.942 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -7.405 -18.750 -1.722 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -5.530 -18.082 2.865 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -8.937 -18.327 0.194 1.00 0.00 H new ATOM 0 HH TYR A 116 -9.117 -17.945 2.410 1.00 0.00 H new ATOM 1690 N VAL A 117 -2.475 -21.126 -2.124 1.00 0.00 N ATOM 1691 CA VAL A 117 -1.854 -22.111 -3.049 1.00 0.00 C ATOM 1692 C VAL A 117 -2.906 -23.154 -3.431 1.00 0.00 C ATOM 1693 O VAL A 117 -3.791 -23.472 -2.659 1.00 0.00 O ATOM 1694 CB VAL A 117 -0.692 -22.755 -2.283 1.00 0.00 C ATOM 1695 CG1 VAL A 117 -1.215 -23.442 -1.016 1.00 0.00 C ATOM 1696 CG2 VAL A 117 0.005 -23.790 -3.188 1.00 0.00 C ATOM 0 H VAL A 117 -2.883 -21.528 -1.280 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.488 -21.649 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 117 0.022 -21.983 -1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.383 -23.896 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.701 -22.705 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.934 -24.214 -1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.832 -24.249 -2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.710 -24.559 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.387 -23.294 -4.080 1.00 0.00 H new