USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 733 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 NoAdj-H: A 10 HIS HD1 : A 10 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 4 SER OG : rot -158:sc= 0.0276 USER MOD Set 1.2: A 94 GLN :FLIP amide:sc= -0.0609 F(o=-0.54,f=-0.033) USER MOD Set 2.1: A 75 ASN :FLIP amide:sc= -4.65! C(o=-18!,f=-11!) USER MOD Set 2.2: A 77 THR OG1 : rot 100:sc= -6.54! USER MOD Set 3.1: A 61 SER OG : rot -134:sc= 1.83 USER MOD Set 3.2: A 73 THR OG1 : rot 130:sc= 0.821 USER MOD Set 4.1: A 31 GLN :FLIP amide:sc= -8! C(o=-11!,f=-8.2!) USER MOD Set 4.2: A 32 SER OG : rot 114:sc= -0.236 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.0285! (180deg=-0.23!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 19 LYS NZ :NH3+ 139:sc= -0.256 (180deg=-0.889) USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= 0.771 (180deg=0.725) USER MOD Single : A 26 SER OG : rot -49:sc= -1.27 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0908 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.727! USER MOD Single : A 39 ASN : amide:sc= -0.013 K(o=-0.013,f=-0.7) USER MOD Single : A 45 GLN :FLIP amide:sc= -3.28 F(o=-8.4!,f=-3.3) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -150:sc= -1.98 USER MOD Single : A 62 THR OG1 : rot -46:sc= -0.316! USER MOD Single : A 66 GLN :FLIP amide:sc= -0.0392 F(o=-1.5,f=-0.039) USER MOD Single : A 68 LYS NZ :NH3+ -119:sc= -1.31 (180deg=-5.63!) USER MOD Single : A 69 LYS NZ :NH3+ -142:sc= 0.916 (180deg=-1.35!) USER MOD Single : A 71 ASN : amide:sc= -2.24! C(o=-2.2!,f=-2.4!) USER MOD Single : A 78 THR OG1 : rot -100:sc= -2.97! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -116:sc= -0.323 (180deg=-1.57) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.225 -1.939 -2.666 1.00 0.00 N ATOM 2 CA MET A 1 17.852 -1.054 -1.527 1.00 0.00 C ATOM 3 C MET A 1 17.141 0.192 -2.062 1.00 0.00 C ATOM 4 O MET A 1 17.186 0.486 -3.239 1.00 0.00 O ATOM 5 CB MET A 1 19.116 -0.637 -0.768 1.00 0.00 C ATOM 6 CG MET A 1 19.542 -1.763 0.179 1.00 0.00 C ATOM 7 SD MET A 1 19.596 -3.329 -0.728 1.00 0.00 S ATOM 8 CE MET A 1 21.346 -3.266 -1.187 1.00 0.00 C ATOM 0 H1 MET A 1 18.943 -2.623 -2.353 1.00 0.00 H new ATOM 0 H2 MET A 1 17.382 -2.449 -3.000 1.00 0.00 H new ATOM 0 H3 MET A 1 18.610 -1.363 -3.441 1.00 0.00 H new ATOM 0 HA MET A 1 17.185 -1.591 -0.852 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.919 -0.417 -1.472 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.928 0.276 -0.203 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.521 -1.543 0.605 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.842 -1.837 1.011 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.603 -4.154 -1.765 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.533 -2.376 -1.787 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.958 -3.231 -0.285 1.00 0.00 H new ATOM 18 N GLY A 2 16.482 0.923 -1.205 1.00 0.00 N ATOM 19 CA GLY A 2 15.764 2.148 -1.663 1.00 0.00 C ATOM 20 C GLY A 2 16.675 3.368 -1.514 1.00 0.00 C ATOM 21 O GLY A 2 17.606 3.555 -2.272 1.00 0.00 O ATOM 0 H GLY A 2 16.409 0.725 -0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 2 15.460 2.035 -2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 2 14.855 2.288 -1.078 1.00 0.00 H new ATOM 25 N ASP A 3 16.416 4.203 -0.543 1.00 0.00 N ATOM 26 CA ASP A 3 17.270 5.412 -0.355 1.00 0.00 C ATOM 27 C ASP A 3 17.181 5.890 1.097 1.00 0.00 C ATOM 28 O ASP A 3 18.058 5.633 1.899 1.00 0.00 O ATOM 29 CB ASP A 3 16.786 6.526 -1.285 1.00 0.00 C ATOM 30 CG ASP A 3 17.037 6.124 -2.739 1.00 0.00 C ATOM 31 OD1 ASP A 3 16.090 5.716 -3.392 1.00 0.00 O ATOM 32 OD2 ASP A 3 18.171 6.229 -3.175 1.00 0.00 O ATOM 0 H ASP A 3 15.653 4.101 0.126 1.00 0.00 H new ATOM 0 HA ASP A 3 18.304 5.161 -0.589 1.00 0.00 H new ATOM 0 HB2 ASP A 3 15.724 6.710 -1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 3 17.308 7.456 -1.059 1.00 0.00 H new ATOM 37 N SER A 4 16.135 6.592 1.441 1.00 0.00 N ATOM 38 CA SER A 4 15.997 7.095 2.836 1.00 0.00 C ATOM 39 C SER A 4 15.332 6.031 3.708 1.00 0.00 C ATOM 40 O SER A 4 14.611 5.182 3.227 1.00 0.00 O ATOM 41 CB SER A 4 15.138 8.360 2.835 1.00 0.00 C ATOM 42 OG SER A 4 15.082 8.891 4.151 1.00 0.00 O ATOM 0 H SER A 4 15.369 6.839 0.814 1.00 0.00 H new ATOM 0 HA SER A 4 16.985 7.321 3.237 1.00 0.00 H new ATOM 0 HB2 SER A 4 15.557 9.097 2.151 1.00 0.00 H new ATOM 0 HB3 SER A 4 14.133 8.131 2.480 1.00 0.00 H new ATOM 0 HG SER A 4 14.288 9.459 4.241 1.00 0.00 H new ATOM 48 N ARG A 5 15.574 6.076 4.990 1.00 0.00 N ATOM 49 CA ARG A 5 14.964 5.076 5.917 1.00 0.00 C ATOM 50 C ARG A 5 13.495 4.858 5.541 1.00 0.00 C ATOM 51 O ARG A 5 12.985 3.757 5.610 1.00 0.00 O ATOM 52 CB ARG A 5 15.057 5.592 7.361 1.00 0.00 C ATOM 53 CG ARG A 5 15.993 6.804 7.418 1.00 0.00 C ATOM 54 CD ARG A 5 16.080 7.320 8.857 1.00 0.00 C ATOM 55 NE ARG A 5 17.366 8.048 9.046 1.00 0.00 N ATOM 56 CZ ARG A 5 17.555 9.200 8.464 1.00 0.00 C ATOM 57 NH1 ARG A 5 18.681 9.839 8.632 1.00 0.00 N ATOM 58 NH2 ARG A 5 16.621 9.713 7.712 1.00 0.00 N ATOM 0 H ARG A 5 16.173 6.768 5.440 1.00 0.00 H new ATOM 0 HA ARG A 5 15.501 4.131 5.836 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.067 5.868 7.723 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.427 4.803 8.016 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.985 6.527 7.060 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.625 7.592 6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.240 7.982 9.069 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.014 6.488 9.558 1.00 0.00 H new ATOM 0 HE ARG A 5 18.099 7.646 9.631 1.00 0.00 H new ATOM 0 HH11 ARG A 5 19.413 9.437 9.218 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.829 10.740 8.177 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.742 9.213 7.579 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.770 10.614 7.257 1.00 0.00 H new ATOM 72 N ASP A 6 12.816 5.899 5.141 1.00 0.00 N ATOM 73 CA ASP A 6 11.383 5.757 4.754 1.00 0.00 C ATOM 74 C ASP A 6 11.218 4.501 3.893 1.00 0.00 C ATOM 75 O ASP A 6 10.172 3.884 3.863 1.00 0.00 O ATOM 76 CB ASP A 6 10.958 6.995 3.954 1.00 0.00 C ATOM 77 CG ASP A 6 9.569 7.452 4.407 1.00 0.00 C ATOM 78 OD1 ASP A 6 9.331 8.649 4.401 1.00 0.00 O ATOM 79 OD2 ASP A 6 8.772 6.599 4.755 1.00 0.00 O ATOM 0 H ASP A 6 13.193 6.844 5.065 1.00 0.00 H new ATOM 0 HA ASP A 6 10.760 5.668 5.644 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.680 7.798 4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.946 6.765 2.889 1.00 0.00 H new ATOM 84 N LEU A 7 12.252 4.123 3.194 1.00 0.00 N ATOM 85 CA LEU A 7 12.175 2.912 2.333 1.00 0.00 C ATOM 86 C LEU A 7 12.068 1.662 3.221 1.00 0.00 C ATOM 87 O LEU A 7 12.462 1.671 4.370 1.00 0.00 O ATOM 88 CB LEU A 7 13.427 2.868 1.422 1.00 0.00 C ATOM 89 CG LEU A 7 14.526 1.915 1.950 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.838 2.190 3.432 1.00 0.00 C ATOM 91 CD2 LEU A 7 14.104 0.445 1.756 1.00 0.00 C ATOM 0 H LEU A 7 13.151 4.604 3.183 1.00 0.00 H new ATOM 0 HA LEU A 7 11.290 2.943 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.131 2.553 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.839 3.873 1.331 1.00 0.00 H new ATOM 0 HG LEU A 7 15.433 2.100 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.614 1.505 3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.185 3.217 3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.937 2.043 4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.888 -0.211 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.180 0.257 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.945 0.249 0.696 1.00 0.00 H new ATOM 103 N CYS A 8 11.535 0.587 2.696 1.00 0.00 N ATOM 104 CA CYS A 8 11.407 -0.671 3.499 1.00 0.00 C ATOM 105 C CYS A 8 12.054 -1.815 2.708 1.00 0.00 C ATOM 106 O CYS A 8 12.219 -1.730 1.510 1.00 0.00 O ATOM 107 CB CYS A 8 9.916 -0.977 3.778 1.00 0.00 C ATOM 108 SG CYS A 8 9.456 -2.595 3.080 1.00 0.00 S ATOM 0 H CYS A 8 11.181 0.525 1.741 1.00 0.00 H new ATOM 0 HA CYS A 8 11.910 -0.557 4.459 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.732 -0.972 4.852 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.291 -0.196 3.344 1.00 0.00 H new ATOM 113 N PRO A 9 12.427 -2.873 3.373 1.00 0.00 N ATOM 114 CA PRO A 9 13.077 -4.050 2.719 1.00 0.00 C ATOM 115 C PRO A 9 12.247 -4.561 1.543 1.00 0.00 C ATOM 116 O PRO A 9 12.714 -4.659 0.425 1.00 0.00 O ATOM 117 CB PRO A 9 13.126 -5.105 3.839 1.00 0.00 C ATOM 118 CG PRO A 9 12.178 -4.608 4.880 1.00 0.00 C ATOM 119 CD PRO A 9 12.263 -3.091 4.809 1.00 0.00 C ATOM 0 HA PRO A 9 14.058 -3.809 2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.828 -6.086 3.470 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.134 -5.208 4.240 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.163 -4.955 4.685 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.455 -4.972 5.870 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.364 -2.612 5.196 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.104 -2.700 5.382 1.00 0.00 H new ATOM 127 N HIS A 10 11.013 -4.880 1.800 1.00 0.00 N ATOM 128 CA HIS A 10 10.120 -5.385 0.716 1.00 0.00 C ATOM 129 C HIS A 10 9.650 -4.205 -0.137 1.00 0.00 C ATOM 130 O HIS A 10 8.912 -4.367 -1.088 1.00 0.00 O ATOM 131 CB HIS A 10 8.909 -6.100 1.340 1.00 0.00 C ATOM 132 CG HIS A 10 9.331 -6.776 2.614 1.00 0.00 C ATOM 133 ND1 HIS A 10 9.391 -6.106 3.837 1.00 0.00 N ATOM 134 CD2 HIS A 10 9.727 -8.064 2.870 1.00 0.00 C ATOM 135 CE1 HIS A 10 9.810 -7.001 4.756 1.00 0.00 C ATOM 136 NE2 HIS A 10 10.026 -8.200 4.217 1.00 0.00 N ATOM 0 H HIS A 10 10.578 -4.813 2.720 1.00 0.00 H new ATOM 0 HA HIS A 10 10.663 -6.091 0.087 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.114 -5.383 1.542 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.507 -6.834 0.642 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.795 -8.852 2.135 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.953 -6.773 5.802 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.345 -9.042 4.696 1.00 0.00 H new ATOM 144 N LEU A 11 10.078 -3.021 0.198 1.00 0.00 N ATOM 145 CA LEU A 11 9.665 -1.822 -0.584 1.00 0.00 C ATOM 146 C LEU A 11 10.366 -1.827 -1.942 1.00 0.00 C ATOM 147 O LEU A 11 9.861 -1.306 -2.917 1.00 0.00 O ATOM 148 CB LEU A 11 10.053 -0.565 0.199 1.00 0.00 C ATOM 149 CG LEU A 11 9.332 0.671 -0.370 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.854 1.572 0.777 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.292 1.458 -1.272 1.00 0.00 C ATOM 0 H LEU A 11 10.700 -2.830 0.984 1.00 0.00 H new ATOM 0 HA LEU A 11 8.587 -1.836 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.796 -0.691 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.132 -0.418 0.150 1.00 0.00 H new ATOM 0 HG LEU A 11 8.471 0.344 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.345 2.444 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.166 1.016 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.712 1.896 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.780 2.332 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.156 1.779 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.623 0.822 -2.093 1.00 0.00 H new ATOM 163 N ASP A 12 11.523 -2.418 -2.015 1.00 0.00 N ATOM 164 CA ASP A 12 12.260 -2.466 -3.308 1.00 0.00 C ATOM 165 C ASP A 12 11.775 -3.666 -4.126 1.00 0.00 C ATOM 166 O ASP A 12 11.953 -3.725 -5.325 1.00 0.00 O ATOM 167 CB ASP A 12 13.754 -2.617 -3.029 1.00 0.00 C ATOM 168 CG ASP A 12 14.510 -2.779 -4.348 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.936 -1.774 -4.892 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.650 -3.906 -4.792 1.00 0.00 O ATOM 0 H ASP A 12 11.993 -2.872 -1.232 1.00 0.00 H new ATOM 0 HA ASP A 12 12.080 -1.547 -3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.124 -1.744 -2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.929 -3.482 -2.390 1.00 0.00 H new ATOM 175 N SER A 13 11.174 -4.628 -3.480 1.00 0.00 N ATOM 176 CA SER A 13 10.688 -5.831 -4.216 1.00 0.00 C ATOM 177 C SER A 13 9.344 -5.531 -4.888 1.00 0.00 C ATOM 178 O SER A 13 9.020 -6.089 -5.917 1.00 0.00 O ATOM 179 CB SER A 13 10.516 -6.991 -3.234 1.00 0.00 C ATOM 180 OG SER A 13 10.367 -8.204 -3.962 1.00 0.00 O ATOM 0 H SER A 13 10.998 -4.633 -2.475 1.00 0.00 H new ATOM 0 HA SER A 13 11.417 -6.099 -4.981 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.380 -7.054 -2.573 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.643 -6.822 -2.603 1.00 0.00 H new ATOM 0 HG SER A 13 10.258 -8.950 -3.336 1.00 0.00 H new ATOM 186 N ILE A 14 8.557 -4.663 -4.316 1.00 0.00 N ATOM 187 CA ILE A 14 7.233 -4.343 -4.928 1.00 0.00 C ATOM 188 C ILE A 14 7.434 -3.482 -6.178 1.00 0.00 C ATOM 189 O ILE A 14 6.515 -2.840 -6.648 1.00 0.00 O ATOM 190 CB ILE A 14 6.386 -3.572 -3.922 1.00 0.00 C ATOM 191 CG1 ILE A 14 7.193 -2.390 -3.387 1.00 0.00 C ATOM 192 CG2 ILE A 14 6.005 -4.495 -2.762 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.266 -1.420 -2.651 1.00 0.00 C ATOM 0 H ILE A 14 8.771 -4.162 -3.454 1.00 0.00 H new ATOM 0 HA ILE A 14 6.731 -5.270 -5.203 1.00 0.00 H new ATOM 0 HB ILE A 14 5.481 -3.208 -4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.972 -2.745 -2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.693 -1.877 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.399 -3.944 -2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.435 -5.342 -3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.909 -4.857 -2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.847 -0.579 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.503 -1.054 -3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.787 -1.935 -1.818 1.00 0.00 H new ATOM 205 N GLY A 15 8.625 -3.464 -6.718 1.00 0.00 N ATOM 206 CA GLY A 15 8.894 -2.648 -7.944 1.00 0.00 C ATOM 207 C GLY A 15 8.076 -1.352 -7.911 1.00 0.00 C ATOM 208 O GLY A 15 7.973 -0.698 -6.893 1.00 0.00 O ATOM 0 H GLY A 15 9.428 -3.982 -6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.957 -2.414 -8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.641 -3.223 -8.835 1.00 0.00 H new ATOM 212 N GLU A 16 7.493 -0.981 -9.022 1.00 0.00 N ATOM 213 CA GLU A 16 6.678 0.270 -9.065 1.00 0.00 C ATOM 214 C GLU A 16 5.428 0.030 -9.913 1.00 0.00 C ATOM 215 O GLU A 16 5.447 0.179 -11.119 1.00 0.00 O ATOM 216 CB GLU A 16 7.507 1.402 -9.686 1.00 0.00 C ATOM 217 CG GLU A 16 6.626 2.640 -9.918 1.00 0.00 C ATOM 218 CD GLU A 16 5.829 2.956 -8.651 1.00 0.00 C ATOM 219 OE1 GLU A 16 6.438 3.374 -7.680 1.00 0.00 O ATOM 220 OE2 GLU A 16 4.623 2.774 -8.673 1.00 0.00 O ATOM 0 H GLU A 16 7.546 -1.492 -9.903 1.00 0.00 H new ATOM 0 HA GLU A 16 6.386 0.549 -8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.338 1.656 -9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.938 1.071 -10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.247 3.493 -10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.946 2.462 -10.751 1.00 0.00 H new ATOM 227 N VAL A 17 4.339 -0.335 -9.294 1.00 0.00 N ATOM 228 CA VAL A 17 3.090 -0.578 -10.069 1.00 0.00 C ATOM 229 C VAL A 17 2.665 0.738 -10.727 1.00 0.00 C ATOM 230 O VAL A 17 3.320 1.750 -10.576 1.00 0.00 O ATOM 231 CB VAL A 17 1.997 -1.074 -9.114 1.00 0.00 C ATOM 232 CG1 VAL A 17 1.573 0.064 -8.185 1.00 0.00 C ATOM 233 CG2 VAL A 17 0.779 -1.564 -9.910 1.00 0.00 C ATOM 0 H VAL A 17 4.260 -0.475 -8.287 1.00 0.00 H new ATOM 0 HA VAL A 17 3.254 -1.332 -10.839 1.00 0.00 H new ATOM 0 HB VAL A 17 2.393 -1.901 -8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.796 -0.290 -7.507 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.433 0.401 -7.607 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.187 0.893 -8.778 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.010 -1.913 -9.221 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.383 -0.745 -10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.078 -2.382 -10.565 1.00 0.00 H new ATOM 243 N THR A 18 1.587 0.744 -11.462 1.00 0.00 N ATOM 244 CA THR A 18 1.159 2.009 -12.119 1.00 0.00 C ATOM 245 C THR A 18 0.781 3.030 -11.048 1.00 0.00 C ATOM 246 O THR A 18 0.010 2.755 -10.153 1.00 0.00 O ATOM 247 CB THR A 18 -0.053 1.726 -13.023 1.00 0.00 C ATOM 248 OG1 THR A 18 -0.485 0.387 -12.824 1.00 0.00 O ATOM 249 CG2 THR A 18 0.337 1.917 -14.492 1.00 0.00 C ATOM 0 H THR A 18 0.990 -0.065 -11.635 1.00 0.00 H new ATOM 0 HA THR A 18 1.974 2.407 -12.724 1.00 0.00 H new ATOM 0 HB THR A 18 -0.858 2.417 -12.771 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.258 0.204 -13.397 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.526 1.715 -15.127 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.671 2.943 -14.649 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.144 1.230 -14.747 1.00 0.00 H new ATOM 257 N LYS A 19 1.302 4.218 -11.151 1.00 0.00 N ATOM 258 CA LYS A 19 0.956 5.270 -10.158 1.00 0.00 C ATOM 259 C LYS A 19 -0.562 5.405 -10.152 1.00 0.00 C ATOM 260 O LYS A 19 -1.213 5.214 -9.146 1.00 0.00 O ATOM 261 CB LYS A 19 1.597 6.600 -10.570 1.00 0.00 C ATOM 262 CG LYS A 19 1.753 6.658 -12.104 1.00 0.00 C ATOM 263 CD LYS A 19 3.227 6.890 -12.477 1.00 0.00 C ATOM 264 CE LYS A 19 4.113 5.790 -11.863 1.00 0.00 C ATOM 265 NZ LYS A 19 4.980 6.386 -10.808 1.00 0.00 N ATOM 0 H LYS A 19 1.953 4.507 -11.881 1.00 0.00 H new ATOM 0 HA LYS A 19 1.323 5.005 -9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.981 7.431 -10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.571 6.707 -10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.399 5.728 -12.549 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.136 7.460 -12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.339 6.893 -13.561 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.550 7.868 -12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.492 5.002 -11.437 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.727 5.328 -12.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.028 5.741 -9.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.936 6.536 -11.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.581 7.297 -10.505 1.00 0.00 H new ATOM 279 N GLU A 20 -1.131 5.706 -11.286 1.00 0.00 N ATOM 280 CA GLU A 20 -2.605 5.816 -11.375 1.00 0.00 C ATOM 281 C GLU A 20 -3.203 4.649 -10.597 1.00 0.00 C ATOM 282 O GLU A 20 -4.178 4.786 -9.894 1.00 0.00 O ATOM 283 CB GLU A 20 -3.019 5.754 -12.846 1.00 0.00 C ATOM 284 CG GLU A 20 -4.504 5.359 -12.990 1.00 0.00 C ATOM 285 CD GLU A 20 -4.618 4.055 -13.784 1.00 0.00 C ATOM 286 OE1 GLU A 20 -3.919 3.115 -13.446 1.00 0.00 O ATOM 287 OE2 GLU A 20 -5.405 4.019 -14.717 1.00 0.00 O ATOM 0 H GLU A 20 -0.631 5.881 -12.158 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.961 6.757 -10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.850 6.723 -13.315 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.395 5.032 -13.372 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.955 5.237 -12.005 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.054 6.153 -13.496 1.00 0.00 H new ATOM 294 N ASP A 21 -2.596 3.501 -10.696 1.00 0.00 N ATOM 295 CA ASP A 21 -3.115 2.331 -9.936 1.00 0.00 C ATOM 296 C ASP A 21 -3.321 2.763 -8.486 1.00 0.00 C ATOM 297 O ASP A 21 -4.313 2.442 -7.866 1.00 0.00 O ATOM 298 CB ASP A 21 -2.112 1.171 -10.005 1.00 0.00 C ATOM 299 CG ASP A 21 -2.850 -0.158 -9.829 1.00 0.00 C ATOM 300 OD1 ASP A 21 -2.342 -1.163 -10.298 1.00 0.00 O ATOM 301 OD2 ASP A 21 -3.911 -0.147 -9.227 1.00 0.00 O ATOM 0 H ASP A 21 -1.769 3.322 -11.266 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.058 1.990 -10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.590 1.185 -10.962 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.356 1.284 -9.228 1.00 0.00 H new ATOM 306 N LEU A 22 -2.403 3.521 -7.952 1.00 0.00 N ATOM 307 CA LEU A 22 -2.562 3.999 -6.552 1.00 0.00 C ATOM 308 C LEU A 22 -3.620 5.092 -6.542 1.00 0.00 C ATOM 309 O LEU A 22 -4.233 5.382 -5.532 1.00 0.00 O ATOM 310 CB LEU A 22 -1.235 4.565 -6.023 1.00 0.00 C ATOM 311 CG LEU A 22 -0.057 3.816 -6.647 1.00 0.00 C ATOM 312 CD1 LEU A 22 1.251 4.347 -6.057 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.179 2.324 -6.349 1.00 0.00 C ATOM 0 H LEU A 22 -1.553 3.829 -8.424 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.860 3.169 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.165 5.627 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.199 4.474 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.062 3.969 -7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.093 3.815 -6.500 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.341 5.412 -6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.252 4.193 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.662 1.794 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.176 2.167 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.111 1.944 -6.768 1.00 0.00 H new ATOM 325 N LEU A 23 -3.836 5.695 -7.670 1.00 0.00 N ATOM 326 CA LEU A 23 -4.850 6.771 -7.767 1.00 0.00 C ATOM 327 C LEU A 23 -6.237 6.134 -7.848 1.00 0.00 C ATOM 328 O LEU A 23 -7.074 6.364 -6.998 1.00 0.00 O ATOM 329 CB LEU A 23 -4.543 7.602 -9.018 1.00 0.00 C ATOM 330 CG LEU A 23 -3.079 8.080 -8.959 1.00 0.00 C ATOM 331 CD1 LEU A 23 -2.820 9.094 -10.084 1.00 0.00 C ATOM 332 CD2 LEU A 23 -2.801 8.748 -7.604 1.00 0.00 C ATOM 0 H LEU A 23 -3.347 5.485 -8.540 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.825 7.424 -6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.708 7.006 -9.915 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.216 8.458 -9.076 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.421 7.220 -9.081 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.784 9.430 -10.040 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.008 8.623 -11.049 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.484 9.950 -9.963 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.764 9.083 -7.569 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.464 9.604 -7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.977 8.031 -6.802 1.00 0.00 H new ATOM 344 N LEU A 24 -6.495 5.311 -8.831 1.00 0.00 N ATOM 345 CA LEU A 24 -7.831 4.666 -8.882 1.00 0.00 C ATOM 346 C LEU A 24 -8.026 3.902 -7.586 1.00 0.00 C ATOM 347 O LEU A 24 -9.068 3.969 -6.984 1.00 0.00 O ATOM 348 CB LEU A 24 -7.953 3.704 -10.068 1.00 0.00 C ATOM 349 CG LEU A 24 -6.901 2.584 -9.985 1.00 0.00 C ATOM 350 CD1 LEU A 24 -7.534 1.314 -9.403 1.00 0.00 C ATOM 351 CD2 LEU A 24 -6.381 2.275 -11.394 1.00 0.00 C ATOM 0 H LEU A 24 -5.852 5.064 -9.583 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.594 5.434 -9.008 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.952 3.268 -10.085 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.829 4.254 -11.001 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.082 2.910 -9.344 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.783 0.526 -9.347 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.916 1.523 -8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.354 0.990 -10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.635 1.482 -11.341 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.209 1.952 -12.025 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.928 3.171 -11.819 1.00 0.00 H new ATOM 363 N LYS A 25 -7.024 3.197 -7.127 1.00 0.00 N ATOM 364 CA LYS A 25 -7.182 2.466 -5.843 1.00 0.00 C ATOM 365 C LYS A 25 -7.750 3.454 -4.825 1.00 0.00 C ATOM 366 O LYS A 25 -8.618 3.134 -4.038 1.00 0.00 O ATOM 367 CB LYS A 25 -5.817 1.944 -5.385 1.00 0.00 C ATOM 368 CG LYS A 25 -5.493 0.636 -6.119 1.00 0.00 C ATOM 369 CD LYS A 25 -4.019 0.273 -5.907 1.00 0.00 C ATOM 370 CE LYS A 25 -3.829 -1.237 -6.076 1.00 0.00 C ATOM 371 NZ LYS A 25 -2.375 -1.557 -6.093 1.00 0.00 N ATOM 0 H LYS A 25 -6.116 3.099 -7.582 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.852 1.613 -5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.046 2.687 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.823 1.776 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.131 -0.167 -5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.701 0.745 -7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.396 0.810 -6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.698 0.580 -4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.320 -1.769 -5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.296 -1.571 -7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.246 -2.578 -6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.913 -1.034 -6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.949 -1.283 -5.185 1.00 0.00 H new ATOM 385 N SER A 26 -7.277 4.669 -4.869 1.00 0.00 N ATOM 386 CA SER A 26 -7.783 5.721 -3.950 1.00 0.00 C ATOM 387 C SER A 26 -9.177 6.149 -4.420 1.00 0.00 C ATOM 388 O SER A 26 -9.708 7.153 -3.987 1.00 0.00 O ATOM 389 CB SER A 26 -6.841 6.928 -4.003 1.00 0.00 C ATOM 390 OG SER A 26 -7.033 7.732 -2.847 1.00 0.00 O ATOM 0 H SER A 26 -6.550 4.980 -5.514 1.00 0.00 H new ATOM 0 HA SER A 26 -7.831 5.339 -2.930 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.805 6.592 -4.057 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.034 7.514 -4.902 1.00 0.00 H new ATOM 0 HG SER A 26 -7.991 7.894 -2.717 1.00 0.00 H new ATOM 396 N LYS A 27 -9.760 5.412 -5.331 1.00 0.00 N ATOM 397 CA LYS A 27 -11.098 5.800 -5.857 1.00 0.00 C ATOM 398 C LYS A 27 -12.042 6.141 -4.700 1.00 0.00 C ATOM 399 O LYS A 27 -12.674 7.178 -4.709 1.00 0.00 O ATOM 400 CB LYS A 27 -11.693 4.670 -6.716 1.00 0.00 C ATOM 401 CG LYS A 27 -11.361 3.291 -6.121 1.00 0.00 C ATOM 402 CD LYS A 27 -12.551 2.349 -6.311 1.00 0.00 C ATOM 403 CE LYS A 27 -12.759 2.103 -7.806 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.897 1.162 -8.004 1.00 0.00 N ATOM 0 H LYS A 27 -9.366 4.560 -5.731 1.00 0.00 H new ATOM 0 HA LYS A 27 -10.979 6.682 -6.486 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.774 4.790 -6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.302 4.736 -7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.477 2.878 -6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.127 3.388 -5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.370 1.406 -5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.449 2.784 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.960 3.045 -8.315 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.852 1.690 -8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.037 0.996 -9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.688 0.260 -7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.762 1.573 -7.598 1.00 0.00 H new ATOM 418 N GLY A 28 -12.141 5.308 -3.694 1.00 0.00 N ATOM 419 CA GLY A 28 -13.040 5.649 -2.561 1.00 0.00 C ATOM 420 C GLY A 28 -13.750 4.407 -2.044 1.00 0.00 C ATOM 421 O GLY A 28 -14.671 4.504 -1.266 1.00 0.00 O ATOM 0 H GLY A 28 -11.644 4.421 -3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.462 6.105 -1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.775 6.386 -2.883 1.00 0.00 H new ATOM 425 N THR A 29 -13.353 3.241 -2.465 1.00 0.00 N ATOM 426 CA THR A 29 -14.048 2.031 -1.963 1.00 0.00 C ATOM 427 C THR A 29 -13.181 0.778 -2.145 1.00 0.00 C ATOM 428 O THR A 29 -12.440 0.649 -3.100 1.00 0.00 O ATOM 429 CB THR A 29 -15.356 1.866 -2.737 1.00 0.00 C ATOM 430 OG1 THR A 29 -15.376 2.780 -3.825 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.556 2.136 -1.823 1.00 0.00 C ATOM 0 H THR A 29 -12.591 3.076 -3.123 1.00 0.00 H new ATOM 0 HA THR A 29 -14.245 2.151 -0.898 1.00 0.00 H new ATOM 0 HB THR A 29 -15.420 0.843 -3.109 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.213 2.676 -4.324 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.479 2.014 -2.389 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.545 1.432 -0.991 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.498 3.154 -1.438 1.00 0.00 H new ATOM 439 N CYS A 30 -13.312 -0.163 -1.249 1.00 0.00 N ATOM 440 CA CYS A 30 -12.548 -1.442 -1.367 1.00 0.00 C ATOM 441 C CYS A 30 -12.995 -2.134 -2.654 1.00 0.00 C ATOM 442 O CYS A 30 -14.165 -2.138 -2.982 1.00 0.00 O ATOM 443 CB CYS A 30 -12.865 -2.348 -0.167 1.00 0.00 C ATOM 444 SG CYS A 30 -11.961 -3.915 -0.324 1.00 0.00 S ATOM 0 H CYS A 30 -13.921 -0.101 -0.433 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.476 -1.244 -1.386 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.587 -1.848 0.761 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.937 -2.539 -0.117 1.00 0.00 H new ATOM 449 N GLN A 31 -12.093 -2.712 -3.397 1.00 0.00 N ATOM 450 CA GLN A 31 -12.518 -3.378 -4.662 1.00 0.00 C ATOM 451 C GLN A 31 -13.137 -4.741 -4.350 1.00 0.00 C ATOM 452 O GLN A 31 -13.739 -5.364 -5.203 1.00 0.00 O ATOM 453 CB GLN A 31 -11.320 -3.558 -5.597 1.00 0.00 C ATOM 454 CG GLN A 31 -10.201 -4.338 -4.897 1.00 0.00 C ATOM 455 CD GLN A 31 -10.502 -5.838 -4.946 1.00 0.00 C ATOM 456 OE1 GLN A 31 -9.734 -6.665 -4.290 1.00 0.00 O flip ATOM 457 NE2 GLN A 31 -11.441 -6.263 -5.589 1.00 0.00 N flip ATOM 0 H GLN A 31 -11.095 -2.753 -3.189 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.259 -2.749 -5.155 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.631 -4.087 -6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.949 -2.583 -5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.246 -4.134 -5.381 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.110 -4.010 -3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.042 -5.618 -6.102 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.629 -7.265 -5.616 1.00 0.00 H new ATOM 466 N SER A 32 -13.002 -5.206 -3.138 1.00 0.00 N ATOM 467 CA SER A 32 -13.589 -6.529 -2.773 1.00 0.00 C ATOM 468 C SER A 32 -14.714 -6.328 -1.754 1.00 0.00 C ATOM 469 O SER A 32 -15.509 -7.216 -1.515 1.00 0.00 O ATOM 470 CB SER A 32 -12.504 -7.418 -2.167 1.00 0.00 C ATOM 471 OG SER A 32 -11.551 -7.744 -3.169 1.00 0.00 O ATOM 0 H SER A 32 -12.510 -4.727 -2.383 1.00 0.00 H new ATOM 0 HA SER A 32 -13.992 -7.005 -3.667 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.017 -6.904 -1.339 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.947 -8.327 -1.761 1.00 0.00 H new ATOM 0 HG SER A 32 -10.688 -7.336 -2.945 1.00 0.00 H new ATOM 477 N CYS A 33 -14.788 -5.169 -1.150 1.00 0.00 N ATOM 478 CA CYS A 33 -15.865 -4.914 -0.143 1.00 0.00 C ATOM 479 C CYS A 33 -16.627 -3.639 -0.506 1.00 0.00 C ATOM 480 O CYS A 33 -17.748 -3.441 -0.082 1.00 0.00 O ATOM 481 CB CYS A 33 -15.244 -4.751 1.248 1.00 0.00 C ATOM 482 SG CYS A 33 -14.207 -6.180 1.617 1.00 0.00 S ATOM 0 H CYS A 33 -14.151 -4.389 -1.310 1.00 0.00 H new ATOM 0 HA CYS A 33 -16.553 -5.759 -0.140 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.650 -3.838 1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.028 -4.654 1.999 1.00 0.00 H new ATOM 487 N GLY A 34 -16.036 -2.762 -1.273 1.00 0.00 N ATOM 488 CA GLY A 34 -16.753 -1.504 -1.628 1.00 0.00 C ATOM 489 C GLY A 34 -17.246 -0.852 -0.337 1.00 0.00 C ATOM 490 O GLY A 34 -18.429 -0.798 -0.065 1.00 0.00 O ATOM 0 H GLY A 34 -15.099 -2.860 -1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.089 -0.827 -2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.592 -1.719 -2.289 1.00 0.00 H new ATOM 494 N VAL A 35 -16.335 -0.396 0.478 1.00 0.00 N ATOM 495 CA VAL A 35 -16.722 0.213 1.785 1.00 0.00 C ATOM 496 C VAL A 35 -16.614 1.746 1.756 1.00 0.00 C ATOM 497 O VAL A 35 -17.531 2.429 2.158 1.00 0.00 O ATOM 498 CB VAL A 35 -15.801 -0.350 2.870 1.00 0.00 C ATOM 499 CG1 VAL A 35 -15.868 -1.884 2.839 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.364 0.108 2.607 1.00 0.00 C ATOM 0 H VAL A 35 -15.332 -0.419 0.295 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.763 -0.035 1.992 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.119 0.010 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.214 -2.292 3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.892 -2.207 3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.545 -2.243 1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.707 -0.293 3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.040 -0.254 1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.321 1.197 2.623 1.00 0.00 H new ATOM 510 N THR A 36 -15.514 2.297 1.300 1.00 0.00 N ATOM 511 CA THR A 36 -15.385 3.786 1.280 1.00 0.00 C ATOM 512 C THR A 36 -13.924 4.160 1.041 1.00 0.00 C ATOM 513 O THR A 36 -13.084 3.310 0.839 1.00 0.00 O ATOM 514 CB THR A 36 -15.833 4.385 2.622 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.416 5.741 2.688 1.00 0.00 O ATOM 516 CG2 THR A 36 -15.203 3.607 3.780 1.00 0.00 C ATOM 0 H THR A 36 -14.707 1.784 0.944 1.00 0.00 H new ATOM 0 HA THR A 36 -16.016 4.180 0.484 1.00 0.00 H new ATOM 0 HB THR A 36 -16.919 4.323 2.699 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.700 6.130 3.542 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.526 4.039 4.727 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.516 2.564 3.731 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.117 3.663 3.708 1.00 0.00 H new ATOM 524 N GLY A 37 -13.619 5.431 1.054 1.00 0.00 N ATOM 525 CA GLY A 37 -12.216 5.877 0.818 1.00 0.00 C ATOM 526 C GLY A 37 -11.466 6.024 2.141 1.00 0.00 C ATOM 527 O GLY A 37 -10.510 5.323 2.401 1.00 0.00 O ATOM 0 H GLY A 37 -14.287 6.184 1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.702 5.157 0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.216 6.829 0.287 1.00 0.00 H new ATOM 531 N PRO A 38 -11.875 6.942 2.970 1.00 0.00 N ATOM 532 CA PRO A 38 -11.209 7.175 4.268 1.00 0.00 C ATOM 533 C PRO A 38 -10.854 5.870 4.978 1.00 0.00 C ATOM 534 O PRO A 38 -11.664 4.975 5.116 1.00 0.00 O ATOM 535 CB PRO A 38 -12.218 7.985 5.090 1.00 0.00 C ATOM 536 CG PRO A 38 -13.411 8.220 4.204 1.00 0.00 C ATOM 537 CD PRO A 38 -12.999 7.858 2.775 1.00 0.00 C ATOM 0 HA PRO A 38 -10.262 7.698 4.136 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.506 7.443 5.991 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.783 8.931 5.412 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.255 7.610 4.526 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.731 9.261 4.259 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.815 7.383 2.229 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.705 8.740 2.206 1.00 0.00 H new ATOM 545 N ASN A 39 -9.637 5.773 5.418 1.00 0.00 N ATOM 546 CA ASN A 39 -9.162 4.552 6.127 1.00 0.00 C ATOM 547 C ASN A 39 -9.131 3.365 5.160 1.00 0.00 C ATOM 548 O ASN A 39 -9.431 2.245 5.525 1.00 0.00 O ATOM 549 CB ASN A 39 -10.073 4.243 7.331 1.00 0.00 C ATOM 550 CG ASN A 39 -9.388 4.691 8.625 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.767 5.735 8.667 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.475 3.941 9.689 1.00 0.00 N ATOM 0 H ASN A 39 -8.933 6.504 5.315 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.152 4.729 6.497 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.028 4.756 7.218 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.287 3.175 7.373 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.022 4.231 10.556 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.996 3.065 9.654 1.00 0.00 H new ATOM 559 N LEU A 40 -8.745 3.590 3.933 1.00 0.00 N ATOM 560 CA LEU A 40 -8.670 2.459 2.964 1.00 0.00 C ATOM 561 C LEU A 40 -7.265 1.855 3.040 1.00 0.00 C ATOM 562 O LEU A 40 -6.409 2.334 3.755 1.00 0.00 O ATOM 563 CB LEU A 40 -8.915 2.963 1.529 1.00 0.00 C ATOM 564 CG LEU A 40 -10.383 2.794 1.095 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.471 3.039 -0.413 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.880 1.371 1.390 1.00 0.00 C ATOM 0 H LEU A 40 -8.480 4.502 3.561 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.430 1.718 3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.637 4.015 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.269 2.419 0.840 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.000 3.503 1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.504 2.924 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.129 4.049 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.842 2.319 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.919 1.276 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.268 0.652 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.806 1.174 2.459 1.00 0.00 H new ATOM 578 N TRP A 41 -7.022 0.818 2.295 1.00 0.00 N ATOM 579 CA TRP A 41 -5.669 0.191 2.305 1.00 0.00 C ATOM 580 C TRP A 41 -5.522 -0.682 1.058 1.00 0.00 C ATOM 581 O TRP A 41 -5.954 -1.818 1.025 1.00 0.00 O ATOM 582 CB TRP A 41 -5.490 -0.651 3.576 1.00 0.00 C ATOM 583 CG TRP A 41 -4.307 -0.149 4.347 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.051 -0.038 3.854 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.246 0.318 5.727 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.225 0.465 4.843 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.915 0.700 6.015 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.207 0.444 6.745 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.552 1.192 7.271 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.844 0.938 8.008 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.519 1.311 8.271 1.00 0.00 C ATOM 0 H TRP A 41 -7.701 0.374 1.677 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.901 0.964 2.299 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.388 -0.595 4.191 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.348 -1.699 3.313 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.744 -0.299 2.852 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.228 0.641 4.721 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.231 0.159 6.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.529 1.479 7.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.591 1.031 8.782 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.247 1.690 9.245 1.00 0.00 H new ATOM 602 N ALA A 42 -4.935 -0.149 0.024 1.00 0.00 N ATOM 603 CA ALA A 42 -4.781 -0.931 -1.230 1.00 0.00 C ATOM 604 C ALA A 42 -3.423 -1.628 -1.274 1.00 0.00 C ATOM 605 O ALA A 42 -2.407 -1.063 -0.926 1.00 0.00 O ATOM 606 CB ALA A 42 -4.895 0.018 -2.422 1.00 0.00 C ATOM 0 H ALA A 42 -4.555 0.797 -0.005 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.562 -1.690 -1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.783 -0.546 -3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.871 0.504 -2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.112 0.774 -2.361 1.00 0.00 H new ATOM 612 N CYS A 43 -3.403 -2.849 -1.729 1.00 0.00 N ATOM 613 CA CYS A 43 -2.116 -3.590 -1.832 1.00 0.00 C ATOM 614 C CYS A 43 -1.176 -2.800 -2.740 1.00 0.00 C ATOM 615 O CYS A 43 -1.619 -2.069 -3.603 1.00 0.00 O ATOM 616 CB CYS A 43 -2.380 -4.970 -2.432 1.00 0.00 C ATOM 617 SG CYS A 43 -1.111 -6.126 -1.864 1.00 0.00 S ATOM 0 H CYS A 43 -4.226 -3.368 -2.035 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.664 -3.710 -0.848 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.368 -5.324 -2.137 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.374 -4.912 -3.520 1.00 0.00 H new ATOM 622 N LEU A 44 0.113 -2.915 -2.552 1.00 0.00 N ATOM 623 CA LEU A 44 1.047 -2.134 -3.416 1.00 0.00 C ATOM 624 C LEU A 44 2.187 -3.025 -3.938 1.00 0.00 C ATOM 625 O LEU A 44 3.313 -2.595 -4.049 1.00 0.00 O ATOM 626 CB LEU A 44 1.619 -0.967 -2.592 1.00 0.00 C ATOM 627 CG LEU A 44 2.636 -0.146 -3.410 1.00 0.00 C ATOM 628 CD1 LEU A 44 2.162 0.022 -4.858 1.00 0.00 C ATOM 629 CD2 LEU A 44 2.786 1.241 -2.779 1.00 0.00 C ATOM 0 H LEU A 44 0.555 -3.507 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 44 0.504 -1.750 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.806 -0.319 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.100 -1.355 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 44 3.589 -0.675 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.895 0.604 -5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.050 -0.959 -5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.203 0.540 -4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.504 1.826 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.821 1.748 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.140 1.138 -1.753 1.00 0.00 H new ATOM 641 N GLN A 45 1.911 -4.260 -4.280 1.00 0.00 N ATOM 642 CA GLN A 45 3.007 -5.132 -4.809 1.00 0.00 C ATOM 643 C GLN A 45 3.086 -4.974 -6.331 1.00 0.00 C ATOM 644 O GLN A 45 2.082 -4.898 -7.011 1.00 0.00 O ATOM 645 CB GLN A 45 2.743 -6.605 -4.453 1.00 0.00 C ATOM 646 CG GLN A 45 1.791 -6.693 -3.264 1.00 0.00 C ATOM 647 CD GLN A 45 2.528 -6.275 -1.991 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.469 -5.033 -1.595 1.00 0.00 O flip ATOM 649 NE2 GLN A 45 3.166 -7.086 -1.351 1.00 0.00 N flip ATOM 0 H GLN A 45 0.991 -4.697 -4.218 1.00 0.00 H new ATOM 0 HA GLN A 45 3.952 -4.830 -4.356 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.315 -7.124 -5.311 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.682 -7.104 -4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.928 -6.047 -3.426 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.413 -7.710 -3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.212 -8.057 -1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.655 -6.796 -0.504 1.00 0.00 H new ATOM 658 N VAL A 46 4.276 -4.908 -6.870 1.00 0.00 N ATOM 659 CA VAL A 46 4.426 -4.740 -8.348 1.00 0.00 C ATOM 660 C VAL A 46 3.487 -5.689 -9.103 1.00 0.00 C ATOM 661 O VAL A 46 3.316 -5.569 -10.299 1.00 0.00 O ATOM 662 CB VAL A 46 5.870 -5.049 -8.757 1.00 0.00 C ATOM 663 CG1 VAL A 46 6.280 -6.412 -8.198 1.00 0.00 C ATOM 664 CG2 VAL A 46 5.976 -5.074 -10.286 1.00 0.00 C ATOM 0 H VAL A 46 5.152 -4.963 -6.350 1.00 0.00 H new ATOM 0 HA VAL A 46 4.172 -3.711 -8.601 1.00 0.00 H new ATOM 0 HB VAL A 46 6.530 -4.279 -8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.307 -6.631 -8.490 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.207 -6.396 -7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.618 -7.182 -8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.003 -5.294 -10.576 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.314 -5.843 -10.684 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.686 -4.103 -10.687 1.00 0.00 H new ATOM 674 N ALA A 47 2.891 -6.642 -8.434 1.00 0.00 N ATOM 675 CA ALA A 47 1.989 -7.594 -9.152 1.00 0.00 C ATOM 676 C ALA A 47 0.680 -7.788 -8.384 1.00 0.00 C ATOM 677 O ALA A 47 0.141 -8.875 -8.338 1.00 0.00 O ATOM 678 CB ALA A 47 2.694 -8.945 -9.292 1.00 0.00 C ATOM 0 H ALA A 47 2.988 -6.802 -7.431 1.00 0.00 H new ATOM 0 HA ALA A 47 1.759 -7.183 -10.135 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.041 -9.644 -9.815 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.616 -8.817 -9.858 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.927 -9.338 -8.302 1.00 0.00 H new ATOM 684 N CYS A 48 0.152 -6.753 -7.785 1.00 0.00 N ATOM 685 CA CYS A 48 -1.127 -6.914 -7.037 1.00 0.00 C ATOM 686 C CYS A 48 -1.958 -5.629 -7.106 1.00 0.00 C ATOM 687 O CYS A 48 -1.959 -4.836 -6.186 1.00 0.00 O ATOM 688 CB CYS A 48 -0.826 -7.228 -5.575 1.00 0.00 C ATOM 689 SG CYS A 48 -2.261 -8.041 -4.839 1.00 0.00 S ATOM 0 H CYS A 48 0.547 -5.813 -7.781 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.691 -7.729 -7.490 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.050 -7.872 -5.501 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.594 -6.311 -5.033 1.00 0.00 H new ATOM 694 N PRO A 49 -2.678 -5.434 -8.177 1.00 0.00 N ATOM 695 CA PRO A 49 -3.541 -4.241 -8.347 1.00 0.00 C ATOM 696 C PRO A 49 -4.945 -4.469 -7.773 1.00 0.00 C ATOM 697 O PRO A 49 -5.785 -5.081 -8.399 1.00 0.00 O ATOM 698 CB PRO A 49 -3.598 -4.085 -9.865 1.00 0.00 C ATOM 699 CG PRO A 49 -3.490 -5.482 -10.403 1.00 0.00 C ATOM 700 CD PRO A 49 -2.744 -6.318 -9.350 1.00 0.00 C ATOM 0 HA PRO A 49 -3.159 -3.363 -7.826 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.529 -3.612 -10.179 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.784 -3.458 -10.228 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.479 -5.898 -10.594 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.952 -5.489 -11.351 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.276 -7.242 -9.124 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.749 -6.599 -9.695 1.00 0.00 H new ATOM 708 N TYR A 50 -5.199 -3.970 -6.592 1.00 0.00 N ATOM 709 CA TYR A 50 -6.539 -4.143 -5.961 1.00 0.00 C ATOM 710 C TYR A 50 -6.584 -3.280 -4.701 1.00 0.00 C ATOM 711 O TYR A 50 -5.640 -3.248 -3.938 1.00 0.00 O ATOM 712 CB TYR A 50 -6.750 -5.611 -5.568 1.00 0.00 C ATOM 713 CG TYR A 50 -7.033 -6.444 -6.798 1.00 0.00 C ATOM 714 CD1 TYR A 50 -8.192 -6.213 -7.552 1.00 0.00 C ATOM 715 CD2 TYR A 50 -6.137 -7.450 -7.185 1.00 0.00 C ATOM 716 CE1 TYR A 50 -8.452 -6.985 -8.691 1.00 0.00 C ATOM 717 CE2 TYR A 50 -6.398 -8.221 -8.323 1.00 0.00 C ATOM 718 CZ TYR A 50 -7.555 -7.989 -9.076 1.00 0.00 C ATOM 719 OH TYR A 50 -7.812 -8.750 -10.199 1.00 0.00 O ATOM 0 H TYR A 50 -4.527 -3.444 -6.032 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.319 -3.849 -6.663 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.864 -5.990 -5.059 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.580 -5.692 -4.866 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -8.884 -5.440 -7.254 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.244 -7.630 -6.604 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.344 -6.806 -9.273 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.707 -8.995 -8.621 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.090 -9.400 -10.326 1.00 0.00 H new ATOM 729 N VAL A 51 -7.660 -2.573 -4.468 1.00 0.00 N ATOM 730 CA VAL A 51 -7.724 -1.718 -3.247 1.00 0.00 C ATOM 731 C VAL A 51 -8.565 -2.407 -2.173 1.00 0.00 C ATOM 732 O VAL A 51 -9.770 -2.510 -2.273 1.00 0.00 O ATOM 733 CB VAL A 51 -8.309 -0.347 -3.600 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.463 -0.517 -4.588 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.808 0.359 -2.333 1.00 0.00 C ATOM 0 H VAL A 51 -8.488 -2.551 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.717 -1.572 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.530 0.262 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.876 0.461 -4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.097 -0.998 -5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.239 -1.135 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.221 1.332 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.581 -0.247 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.977 0.494 -1.640 1.00 0.00 H new ATOM 745 N GLY A 52 -7.922 -2.883 -1.142 1.00 0.00 N ATOM 746 CA GLY A 52 -8.649 -3.580 -0.046 1.00 0.00 C ATOM 747 C GLY A 52 -9.177 -2.559 0.963 1.00 0.00 C ATOM 748 O GLY A 52 -9.103 -1.366 0.754 1.00 0.00 O ATOM 0 H GLY A 52 -6.912 -2.817 -1.012 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.476 -4.158 -0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.984 -4.285 0.452 1.00 0.00 H new ATOM 752 N CYS A 53 -9.717 -3.026 2.059 1.00 0.00 N ATOM 753 CA CYS A 53 -10.259 -2.097 3.087 1.00 0.00 C ATOM 754 C CYS A 53 -9.248 -1.901 4.195 1.00 0.00 C ATOM 755 O CYS A 53 -8.256 -2.595 4.307 1.00 0.00 O ATOM 756 CB CYS A 53 -11.494 -2.701 3.781 1.00 0.00 C ATOM 757 SG CYS A 53 -11.541 -4.490 3.516 1.00 0.00 S ATOM 0 H CYS A 53 -9.805 -4.017 2.284 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.501 -1.168 2.571 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.464 -2.484 4.849 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.402 -2.243 3.389 1.00 0.00 H new ATOM 762 N GLY A 54 -9.575 -1.001 5.056 1.00 0.00 N ATOM 763 CA GLY A 54 -8.761 -0.750 6.258 1.00 0.00 C ATOM 764 C GLY A 54 -9.712 -1.050 7.403 1.00 0.00 C ATOM 765 O GLY A 54 -10.907 -1.057 7.197 1.00 0.00 O ATOM 0 H GLY A 54 -10.401 -0.408 4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.882 -1.393 6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.404 0.279 6.293 1.00 0.00 H new ATOM 769 N GLU A 55 -9.237 -1.330 8.578 1.00 0.00 N ATOM 770 CA GLU A 55 -10.186 -1.649 9.694 1.00 0.00 C ATOM 771 C GLU A 55 -11.538 -1.016 9.408 1.00 0.00 C ATOM 772 O GLU A 55 -12.575 -1.587 9.678 1.00 0.00 O ATOM 773 CB GLU A 55 -9.648 -1.089 11.001 1.00 0.00 C ATOM 774 CG GLU A 55 -9.751 0.440 10.994 1.00 0.00 C ATOM 775 CD GLU A 55 -8.863 1.018 12.098 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.624 2.214 12.073 1.00 0.00 O ATOM 777 OE2 GLU A 55 -8.436 0.254 12.948 1.00 0.00 O ATOM 0 H GLU A 55 -8.247 -1.354 8.822 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.292 -2.731 9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.211 -1.496 11.841 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.610 -1.392 11.137 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.444 0.831 10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.786 0.746 11.148 1.00 0.00 H new ATOM 784 N SER A 56 -11.517 0.151 8.834 1.00 0.00 N ATOM 785 CA SER A 56 -12.782 0.846 8.472 1.00 0.00 C ATOM 786 C SER A 56 -13.855 -0.203 8.177 1.00 0.00 C ATOM 787 O SER A 56 -14.995 -0.071 8.577 1.00 0.00 O ATOM 788 CB SER A 56 -12.535 1.689 7.220 1.00 0.00 C ATOM 789 OG SER A 56 -12.558 3.067 7.568 1.00 0.00 O ATOM 0 H SER A 56 -10.666 0.661 8.597 1.00 0.00 H new ATOM 0 HA SER A 56 -13.112 1.487 9.290 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.573 1.430 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.298 1.479 6.470 1.00 0.00 H new ATOM 0 HG SER A 56 -12.875 3.592 6.804 1.00 0.00 H new ATOM 795 N PHE A 57 -13.485 -1.253 7.489 1.00 0.00 N ATOM 796 CA PHE A 57 -14.470 -2.329 7.172 1.00 0.00 C ATOM 797 C PHE A 57 -13.982 -3.649 7.755 1.00 0.00 C ATOM 798 O PHE A 57 -14.232 -3.975 8.898 1.00 0.00 O ATOM 799 CB PHE A 57 -14.600 -2.485 5.663 1.00 0.00 C ATOM 800 CG PHE A 57 -15.545 -3.623 5.357 1.00 0.00 C ATOM 801 CD1 PHE A 57 -16.892 -3.533 5.730 1.00 0.00 C ATOM 802 CD2 PHE A 57 -15.077 -4.769 4.700 1.00 0.00 C ATOM 803 CE1 PHE A 57 -17.770 -4.586 5.447 1.00 0.00 C ATOM 804 CE2 PHE A 57 -15.956 -5.822 4.418 1.00 0.00 C ATOM 805 CZ PHE A 57 -17.301 -5.731 4.792 1.00 0.00 C ATOM 0 H PHE A 57 -12.542 -1.411 7.133 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.436 -2.061 7.600 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.971 -1.560 5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.623 -2.680 5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -17.254 -2.650 6.236 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.039 -4.840 4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -18.809 -4.515 5.734 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -15.595 -6.705 3.911 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.978 -6.544 4.575 1.00 0.00 H new ATOM 815 N ALA A 58 -13.278 -4.401 6.962 1.00 0.00 N ATOM 816 CA ALA A 58 -12.741 -5.712 7.430 1.00 0.00 C ATOM 817 C ALA A 58 -11.220 -5.666 7.328 1.00 0.00 C ATOM 818 O ALA A 58 -10.526 -6.593 7.693 1.00 0.00 O ATOM 819 CB ALA A 58 -13.282 -6.834 6.541 1.00 0.00 C ATOM 0 H ALA A 58 -13.047 -4.163 5.997 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.045 -5.900 8.460 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.889 -7.791 6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.371 -6.848 6.595 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.972 -6.663 5.510 1.00 0.00 H new ATOM 825 N ASP A 59 -10.708 -4.578 6.829 1.00 0.00 N ATOM 826 CA ASP A 59 -9.238 -4.428 6.688 1.00 0.00 C ATOM 827 C ASP A 59 -8.660 -5.590 5.883 1.00 0.00 C ATOM 828 O ASP A 59 -7.865 -6.360 6.384 1.00 0.00 O ATOM 829 CB ASP A 59 -8.582 -4.387 8.070 1.00 0.00 C ATOM 830 CG ASP A 59 -7.067 -4.257 7.915 1.00 0.00 C ATOM 831 OD1 ASP A 59 -6.364 -5.144 8.367 1.00 0.00 O ATOM 832 OD2 ASP A 59 -6.635 -3.267 7.349 1.00 0.00 O ATOM 0 H ASP A 59 -11.253 -3.778 6.509 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.033 -3.495 6.162 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.972 -3.547 8.644 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.824 -5.293 8.626 1.00 0.00 H new ATOM 837 N HIS A 60 -9.022 -5.712 4.627 1.00 0.00 N ATOM 838 CA HIS A 60 -8.445 -6.815 3.804 1.00 0.00 C ATOM 839 C HIS A 60 -6.940 -6.812 4.056 1.00 0.00 C ATOM 840 O HIS A 60 -6.258 -7.796 3.895 1.00 0.00 O ATOM 841 CB HIS A 60 -8.709 -6.551 2.309 1.00 0.00 C ATOM 842 CG HIS A 60 -9.748 -7.501 1.772 1.00 0.00 C ATOM 843 ND1 HIS A 60 -10.986 -7.070 1.288 1.00 0.00 N ATOM 844 CD2 HIS A 60 -9.740 -8.864 1.623 1.00 0.00 C ATOM 845 CE1 HIS A 60 -11.653 -8.167 0.881 1.00 0.00 C ATOM 846 NE2 HIS A 60 -10.941 -9.279 1.063 1.00 0.00 N ATOM 0 H HIS A 60 -9.683 -5.103 4.144 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.894 -7.772 4.070 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.044 -5.523 2.170 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.782 -6.663 1.746 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.924 -9.515 1.899 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -12.646 -8.148 0.458 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -11.220 -10.234 0.838 1.00 0.00 H new ATOM 854 N SER A 61 -6.435 -5.685 4.461 1.00 0.00 N ATOM 855 CA SER A 61 -4.981 -5.555 4.742 1.00 0.00 C ATOM 856 C SER A 61 -4.475 -6.768 5.525 1.00 0.00 C ATOM 857 O SER A 61 -3.334 -7.166 5.392 1.00 0.00 O ATOM 858 CB SER A 61 -4.761 -4.285 5.566 1.00 0.00 C ATOM 859 OG SER A 61 -3.480 -3.746 5.270 1.00 0.00 O ATOM 0 H SER A 61 -6.976 -4.834 4.612 1.00 0.00 H new ATOM 0 HA SER A 61 -4.432 -5.500 3.802 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.537 -3.553 5.340 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.836 -4.511 6.630 1.00 0.00 H new ATOM 0 HG SER A 61 -3.028 -3.500 6.104 1.00 0.00 H new ATOM 865 N THR A 62 -5.299 -7.353 6.348 1.00 0.00 N ATOM 866 CA THR A 62 -4.838 -8.523 7.138 1.00 0.00 C ATOM 867 C THR A 62 -5.079 -9.815 6.368 1.00 0.00 C ATOM 868 O THR A 62 -4.156 -10.511 6.008 1.00 0.00 O ATOM 869 CB THR A 62 -5.620 -8.604 8.446 1.00 0.00 C ATOM 870 OG1 THR A 62 -6.319 -7.388 8.661 1.00 0.00 O ATOM 871 CG2 THR A 62 -4.667 -8.867 9.615 1.00 0.00 C ATOM 0 H THR A 62 -6.267 -7.072 6.506 1.00 0.00 H new ATOM 0 HA THR A 62 -3.773 -8.400 7.334 1.00 0.00 H new ATOM 0 HB THR A 62 -6.334 -9.425 8.382 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.718 -6.632 8.497 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.236 -8.923 10.543 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.144 -9.809 9.453 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.942 -8.056 9.683 1.00 0.00 H new ATOM 879 N ILE A 63 -6.322 -10.156 6.144 1.00 0.00 N ATOM 880 CA ILE A 63 -6.616 -11.425 5.433 1.00 0.00 C ATOM 881 C ILE A 63 -5.943 -11.407 4.062 1.00 0.00 C ATOM 882 O ILE A 63 -5.484 -12.416 3.565 1.00 0.00 O ATOM 883 CB ILE A 63 -8.119 -11.609 5.265 1.00 0.00 C ATOM 884 CG1 ILE A 63 -8.723 -10.312 4.746 1.00 0.00 C ATOM 885 CG2 ILE A 63 -8.749 -11.970 6.613 1.00 0.00 C ATOM 886 CD1 ILE A 63 -10.091 -10.593 4.122 1.00 0.00 C ATOM 0 H ILE A 63 -7.138 -9.611 6.423 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.229 -12.256 6.022 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.314 -12.414 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.825 -9.595 5.561 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.061 -9.862 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.824 -12.101 6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.311 -12.897 6.983 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.561 -11.169 7.328 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.520 -9.662 3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.977 -11.294 3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -10.752 -11.024 4.874 1.00 0.00 H new ATOM 898 N HIS A 64 -5.880 -10.260 3.452 1.00 0.00 N ATOM 899 CA HIS A 64 -5.234 -10.156 2.116 1.00 0.00 C ATOM 900 C HIS A 64 -3.725 -10.320 2.277 1.00 0.00 C ATOM 901 O HIS A 64 -3.084 -11.023 1.522 1.00 0.00 O ATOM 902 CB HIS A 64 -5.529 -8.793 1.490 1.00 0.00 C ATOM 903 CG HIS A 64 -4.874 -8.733 0.143 1.00 0.00 C ATOM 904 ND1 HIS A 64 -5.594 -8.804 -1.040 1.00 0.00 N ATOM 905 CD2 HIS A 64 -3.557 -8.636 -0.223 1.00 0.00 C ATOM 906 CE1 HIS A 64 -4.710 -8.751 -2.053 1.00 0.00 C ATOM 907 NE2 HIS A 64 -3.455 -8.650 -1.606 1.00 0.00 N ATOM 0 H HIS A 64 -6.250 -9.385 3.823 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.629 -10.937 1.466 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.605 -8.646 1.394 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -5.153 -7.994 2.129 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.607 -8.882 -1.126 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.725 -8.560 0.461 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.981 -8.786 -3.098 1.00 0.00 H new ATOM 915 N ALA A 65 -3.150 -9.700 3.274 1.00 0.00 N ATOM 916 CA ALA A 65 -1.685 -9.859 3.487 1.00 0.00 C ATOM 917 C ALA A 65 -1.475 -11.247 4.073 1.00 0.00 C ATOM 918 O ALA A 65 -0.408 -11.815 4.041 1.00 0.00 O ATOM 919 CB ALA A 65 -1.182 -8.801 4.472 1.00 0.00 C ATOM 0 H ALA A 65 -3.628 -9.096 3.943 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.139 -9.738 2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.109 -8.924 4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.380 -7.807 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.698 -8.917 5.425 1.00 0.00 H new ATOM 925 N GLN A 66 -2.525 -11.765 4.623 1.00 0.00 N ATOM 926 CA GLN A 66 -2.513 -13.103 5.260 1.00 0.00 C ATOM 927 C GLN A 66 -2.707 -14.200 4.204 1.00 0.00 C ATOM 928 O GLN A 66 -2.205 -15.298 4.332 1.00 0.00 O ATOM 929 CB GLN A 66 -3.700 -13.100 6.213 1.00 0.00 C ATOM 930 CG GLN A 66 -4.045 -14.499 6.727 1.00 0.00 C ATOM 931 CD GLN A 66 -3.273 -14.783 8.018 1.00 0.00 C ATOM 932 OE1 GLN A 66 -2.216 -14.071 8.302 1.00 0.00 O flip ATOM 933 NE2 GLN A 66 -3.635 -15.662 8.776 1.00 0.00 N flip ATOM 0 H GLN A 66 -3.430 -11.297 4.659 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.569 -13.299 5.768 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.480 -12.450 7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.568 -12.679 5.705 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.117 -14.575 6.909 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.796 -15.245 5.972 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.461 -16.218 8.554 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.113 -15.843 9.633 1.00 0.00 H new ATOM 942 N ALA A 67 -3.461 -13.914 3.179 1.00 0.00 N ATOM 943 CA ALA A 67 -3.730 -14.940 2.132 1.00 0.00 C ATOM 944 C ALA A 67 -2.657 -14.877 1.048 1.00 0.00 C ATOM 945 O ALA A 67 -2.174 -15.886 0.575 1.00 0.00 O ATOM 946 CB ALA A 67 -5.106 -14.674 1.511 1.00 0.00 C ATOM 0 H ALA A 67 -3.905 -13.009 3.021 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.714 -15.931 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.310 -15.421 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.872 -14.731 2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.117 -13.681 1.062 1.00 0.00 H new ATOM 952 N LYS A 68 -2.297 -13.694 0.639 1.00 0.00 N ATOM 953 CA LYS A 68 -1.271 -13.548 -0.430 1.00 0.00 C ATOM 954 C LYS A 68 0.077 -13.221 0.201 1.00 0.00 C ATOM 955 O LYS A 68 1.062 -13.003 -0.476 1.00 0.00 O ATOM 956 CB LYS A 68 -1.696 -12.426 -1.371 1.00 0.00 C ATOM 957 CG LYS A 68 -3.102 -12.725 -1.914 1.00 0.00 C ATOM 958 CD LYS A 68 -4.155 -12.010 -1.065 1.00 0.00 C ATOM 959 CE LYS A 68 -5.528 -12.157 -1.723 1.00 0.00 C ATOM 960 NZ LYS A 68 -5.537 -11.427 -3.022 1.00 0.00 N ATOM 0 H LYS A 68 -2.671 -12.817 1.001 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.180 -14.478 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.692 -11.472 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.987 -12.338 -2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.177 -12.399 -2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.284 -13.800 -1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.175 -12.432 -0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.900 -10.955 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.755 -13.211 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.302 -11.761 -1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.258 -10.678 -2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.603 -11.002 -3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.756 -12.091 -3.792 1.00 0.00 H new ATOM 974 N LYS A 69 0.122 -13.202 1.497 1.00 0.00 N ATOM 975 CA LYS A 69 1.395 -12.910 2.206 1.00 0.00 C ATOM 976 C LYS A 69 1.972 -11.568 1.738 1.00 0.00 C ATOM 977 O LYS A 69 3.124 -11.267 1.982 1.00 0.00 O ATOM 978 CB LYS A 69 2.405 -14.035 1.938 1.00 0.00 C ATOM 979 CG LYS A 69 1.678 -15.378 1.736 1.00 0.00 C ATOM 980 CD LYS A 69 0.563 -15.560 2.783 1.00 0.00 C ATOM 981 CE LYS A 69 0.471 -17.035 3.186 1.00 0.00 C ATOM 982 NZ LYS A 69 -0.815 -17.276 3.899 1.00 0.00 N ATOM 0 H LYS A 69 -0.678 -13.378 2.105 1.00 0.00 H new ATOM 0 HA LYS A 69 1.197 -12.849 3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.995 -13.798 1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.101 -14.114 2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.252 -15.419 0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.392 -16.198 1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.770 -14.946 3.659 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.390 -15.224 2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.533 -17.669 2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.311 -17.301 3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.660 -17.950 4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.171 -16.378 4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.512 -17.668 3.234 1.00 0.00 H new ATOM 996 N HIS A 70 1.185 -10.744 1.098 1.00 0.00 N ATOM 997 CA HIS A 70 1.714 -9.414 0.664 1.00 0.00 C ATOM 998 C HIS A 70 1.878 -8.555 1.920 1.00 0.00 C ATOM 999 O HIS A 70 0.958 -8.408 2.699 1.00 0.00 O ATOM 1000 CB HIS A 70 0.738 -8.758 -0.318 1.00 0.00 C ATOM 1001 CG HIS A 70 0.715 -9.559 -1.592 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -0.388 -9.585 -2.434 1.00 0.00 N ATOM 1003 CD2 HIS A 70 1.655 -10.372 -2.182 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -0.085 -10.386 -3.474 1.00 0.00 C ATOM 1005 NE2 HIS A 70 1.144 -10.888 -3.366 1.00 0.00 N ATOM 0 H HIS A 70 0.211 -10.929 0.859 1.00 0.00 H new ATOM 0 HA HIS A 70 2.672 -9.523 0.155 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.261 -8.713 0.117 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.043 -7.732 -0.523 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.638 -10.577 -1.786 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.756 -10.595 -4.294 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.612 -11.519 -4.017 1.00 0.00 H new ATOM 1013 N ASN A 71 3.050 -8.024 2.156 1.00 0.00 N ATOM 1014 CA ASN A 71 3.263 -7.228 3.399 1.00 0.00 C ATOM 1015 C ASN A 71 2.979 -5.743 3.165 1.00 0.00 C ATOM 1016 O ASN A 71 2.390 -5.081 3.994 1.00 0.00 O ATOM 1017 CB ASN A 71 4.719 -7.399 3.852 1.00 0.00 C ATOM 1018 CG ASN A 71 5.310 -8.663 3.224 1.00 0.00 C ATOM 1019 OD1 ASN A 71 5.921 -8.606 2.175 1.00 0.00 O ATOM 1020 ND2 ASN A 71 5.154 -9.811 3.827 1.00 0.00 N ATOM 0 H ASN A 71 3.863 -8.107 1.546 1.00 0.00 H new ATOM 0 HA ASN A 71 2.576 -7.588 4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.305 -6.528 3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.766 -7.465 4.939 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.545 -10.659 3.417 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.641 -9.859 4.707 1.00 0.00 H new ATOM 1027 N LEU A 72 3.436 -5.203 2.073 1.00 0.00 N ATOM 1028 CA LEU A 72 3.244 -3.745 1.829 1.00 0.00 C ATOM 1029 C LEU A 72 1.872 -3.413 1.238 1.00 0.00 C ATOM 1030 O LEU A 72 1.379 -4.054 0.330 1.00 0.00 O ATOM 1031 CB LEU A 72 4.329 -3.262 0.877 1.00 0.00 C ATOM 1032 CG LEU A 72 5.680 -3.307 1.594 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.798 -3.214 0.560 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.796 -2.133 2.577 1.00 0.00 C ATOM 0 H LEU A 72 3.934 -5.705 1.338 1.00 0.00 H new ATOM 0 HA LEU A 72 3.306 -3.240 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.355 -3.890 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.113 -2.247 0.545 1.00 0.00 H new ATOM 0 HG LEU A 72 5.762 -4.242 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.764 -3.245 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.723 -4.052 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.707 -2.278 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.761 -2.175 3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.712 -1.193 2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.997 -2.197 3.316 1.00 0.00 H new ATOM 1046 N THR A 73 1.290 -2.364 1.750 1.00 0.00 N ATOM 1047 CA THR A 73 -0.027 -1.876 1.263 1.00 0.00 C ATOM 1048 C THR A 73 -0.033 -0.361 1.478 1.00 0.00 C ATOM 1049 O THR A 73 0.721 0.141 2.284 1.00 0.00 O ATOM 1050 CB THR A 73 -1.159 -2.522 2.068 1.00 0.00 C ATOM 1051 OG1 THR A 73 -1.184 -1.966 3.375 1.00 0.00 O ATOM 1052 CG2 THR A 73 -0.931 -4.032 2.161 1.00 0.00 C ATOM 0 H THR A 73 1.687 -1.810 2.509 1.00 0.00 H new ATOM 0 HA THR A 73 -0.178 -2.130 0.214 1.00 0.00 H new ATOM 0 HB THR A 73 -2.110 -2.332 1.570 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.097 -1.685 3.594 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.738 -4.487 2.734 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.912 -4.460 1.159 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.020 -4.227 2.656 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.838 0.383 0.767 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.817 1.868 0.954 1.00 0.00 C ATOM 1062 C VAL A 74 -2.191 2.391 1.368 1.00 0.00 C ATOM 1063 O VAL A 74 -3.194 2.138 0.730 1.00 0.00 O ATOM 1064 CB VAL A 74 -0.370 2.541 -0.350 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -1.074 1.885 -1.542 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -0.725 4.032 -0.318 1.00 0.00 C ATOM 0 H VAL A 74 -1.501 0.036 0.074 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.113 2.107 1.751 1.00 0.00 H new ATOM 0 HB VAL A 74 0.709 2.425 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.752 2.367 -2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.818 0.826 -1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.153 1.994 -1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.404 4.502 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.803 4.147 -0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.220 4.508 0.523 1.00 0.00 H new ATOM 1076 N ASN A 75 -2.225 3.136 2.444 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.506 3.709 2.934 1.00 0.00 C ATOM 1078 C ASN A 75 -3.854 4.940 2.102 1.00 0.00 C ATOM 1079 O ASN A 75 -3.268 5.995 2.254 1.00 0.00 O ATOM 1080 CB ASN A 75 -3.355 4.111 4.403 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.714 4.536 4.957 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.743 4.587 4.156 1.00 0.00 O flip ATOM 1083 ND2 ASN A 75 -4.843 4.824 6.130 1.00 0.00 N flip ATOM 0 H ASN A 75 -1.408 3.372 3.007 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.300 2.968 2.842 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.960 3.276 4.981 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.641 4.929 4.496 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.039 4.784 6.756 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.755 5.106 6.489 1.00 0.00 H new ATOM 1090 N LEU A 76 -4.798 4.811 1.219 1.00 0.00 N ATOM 1091 CA LEU A 76 -5.187 5.968 0.365 1.00 0.00 C ATOM 1092 C LEU A 76 -5.880 7.018 1.229 1.00 0.00 C ATOM 1093 O LEU A 76 -6.392 8.005 0.740 1.00 0.00 O ATOM 1094 CB LEU A 76 -6.135 5.487 -0.738 1.00 0.00 C ATOM 1095 CG LEU A 76 -5.627 4.145 -1.315 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -6.799 3.173 -1.554 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -4.879 4.393 -2.633 1.00 0.00 C ATOM 0 H LEU A 76 -5.321 3.952 1.049 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.301 6.408 -0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.141 5.364 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.196 6.234 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.947 3.695 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.418 2.236 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.309 2.979 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.501 3.616 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.524 3.444 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.552 4.861 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.029 5.051 -2.451 1.00 0.00 H new ATOM 1109 N THR A 77 -5.887 6.815 2.517 1.00 0.00 N ATOM 1110 CA THR A 77 -6.530 7.799 3.427 1.00 0.00 C ATOM 1111 C THR A 77 -5.498 8.850 3.821 1.00 0.00 C ATOM 1112 O THR A 77 -5.787 10.027 3.899 1.00 0.00 O ATOM 1113 CB THR A 77 -7.021 7.082 4.681 1.00 0.00 C ATOM 1114 OG1 THR A 77 -7.900 6.037 4.295 1.00 0.00 O ATOM 1115 CG2 THR A 77 -7.748 8.078 5.587 1.00 0.00 C ATOM 0 H THR A 77 -5.473 6.006 2.979 1.00 0.00 H new ATOM 0 HA THR A 77 -7.374 8.273 2.925 1.00 0.00 H new ATOM 0 HB THR A 77 -6.177 6.662 5.229 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.418 5.184 4.303 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.099 7.566 6.483 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.064 8.878 5.871 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.600 8.501 5.054 1.00 0.00 H new ATOM 1123 N THR A 78 -4.292 8.420 4.080 1.00 0.00 N ATOM 1124 CA THR A 78 -3.219 9.379 4.484 1.00 0.00 C ATOM 1125 C THR A 78 -2.071 9.370 3.470 1.00 0.00 C ATOM 1126 O THR A 78 -1.247 10.262 3.456 1.00 0.00 O ATOM 1127 CB THR A 78 -2.678 8.983 5.858 1.00 0.00 C ATOM 1128 OG1 THR A 78 -3.765 8.787 6.751 1.00 0.00 O ATOM 1129 CG2 THR A 78 -1.770 10.093 6.390 1.00 0.00 C ATOM 0 H THR A 78 -4.002 7.444 4.029 1.00 0.00 H new ATOM 0 HA THR A 78 -3.645 10.381 4.521 1.00 0.00 H new ATOM 0 HB THR A 78 -2.105 8.060 5.773 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.874 9.582 7.313 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.385 9.810 7.370 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.938 10.243 5.702 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.340 11.018 6.478 1.00 0.00 H new ATOM 1137 N PHE A 79 -2.012 8.381 2.622 1.00 0.00 N ATOM 1138 CA PHE A 79 -0.919 8.320 1.602 1.00 0.00 C ATOM 1139 C PHE A 79 0.385 7.821 2.238 1.00 0.00 C ATOM 1140 O PHE A 79 1.423 8.444 2.129 1.00 0.00 O ATOM 1141 CB PHE A 79 -0.695 9.705 0.980 1.00 0.00 C ATOM 1142 CG PHE A 79 -2.018 10.427 0.857 1.00 0.00 C ATOM 1143 CD1 PHE A 79 -2.148 11.738 1.331 1.00 0.00 C ATOM 1144 CD2 PHE A 79 -3.113 9.783 0.269 1.00 0.00 C ATOM 1145 CE1 PHE A 79 -3.374 12.405 1.217 1.00 0.00 C ATOM 1146 CE2 PHE A 79 -4.339 10.451 0.155 1.00 0.00 C ATOM 1147 CZ PHE A 79 -4.469 11.762 0.629 1.00 0.00 C ATOM 0 H PHE A 79 -2.676 7.607 2.589 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.219 7.621 0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.009 10.285 1.597 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.232 9.603 -0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.303 12.235 1.784 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.013 8.772 -0.097 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.474 13.416 1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.184 9.955 -0.299 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.414 12.277 0.541 1.00 0.00 H new ATOM 1157 N ARG A 80 0.340 6.680 2.865 1.00 0.00 N ATOM 1158 CA ARG A 80 1.561 6.085 3.478 1.00 0.00 C ATOM 1159 C ARG A 80 1.483 4.584 3.235 1.00 0.00 C ATOM 1160 O ARG A 80 0.551 4.104 2.625 1.00 0.00 O ATOM 1161 CB ARG A 80 1.632 6.366 4.988 1.00 0.00 C ATOM 1162 CG ARG A 80 0.278 6.855 5.517 1.00 0.00 C ATOM 1163 CD ARG A 80 0.196 6.560 7.018 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.967 7.278 7.622 1.00 0.00 N ATOM 1165 CZ ARG A 80 -2.072 6.636 7.906 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -3.066 7.272 8.465 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -2.191 5.366 7.626 1.00 0.00 N ATOM 0 H ARG A 80 -0.507 6.124 2.981 1.00 0.00 H new ATOM 0 HA ARG A 80 2.454 6.523 3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.928 5.460 5.517 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.397 7.116 5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.167 7.924 5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.535 6.356 4.990 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.094 5.487 7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.119 6.870 7.508 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.899 8.277 7.815 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.980 8.266 8.679 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.929 6.775 8.688 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.420 4.867 7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.055 4.873 7.851 1.00 0.00 H new ATOM 1181 N LEU A 81 2.442 3.837 3.686 1.00 0.00 N ATOM 1182 CA LEU A 81 2.404 2.369 3.450 1.00 0.00 C ATOM 1183 C LEU A 81 2.239 1.628 4.768 1.00 0.00 C ATOM 1184 O LEU A 81 2.165 2.212 5.829 1.00 0.00 O ATOM 1185 CB LEU A 81 3.706 1.929 2.766 1.00 0.00 C ATOM 1186 CG LEU A 81 3.507 1.860 1.245 1.00 0.00 C ATOM 1187 CD1 LEU A 81 4.835 2.164 0.544 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.011 0.463 0.827 1.00 0.00 C ATOM 0 H LEU A 81 3.251 4.175 4.207 1.00 0.00 H new ATOM 0 HA LEU A 81 1.556 2.133 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.506 2.630 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.013 0.954 3.145 1.00 0.00 H new ATOM 0 HG LEU A 81 2.758 2.597 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.696 2.115 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.173 3.162 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.582 1.431 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.876 0.433 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.745 -0.287 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.061 0.253 1.317 1.00 0.00 H new ATOM 1200 N TRP A 82 2.183 0.336 4.688 1.00 0.00 N ATOM 1201 CA TRP A 82 2.028 -0.500 5.901 1.00 0.00 C ATOM 1202 C TRP A 82 2.582 -1.880 5.578 1.00 0.00 C ATOM 1203 O TRP A 82 2.023 -2.614 4.788 1.00 0.00 O ATOM 1204 CB TRP A 82 0.547 -0.601 6.264 1.00 0.00 C ATOM 1205 CG TRP A 82 0.393 -1.283 7.587 1.00 0.00 C ATOM 1206 CD1 TRP A 82 0.996 -0.899 8.736 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -0.409 -2.454 7.916 1.00 0.00 C ATOM 1208 NE1 TRP A 82 0.616 -1.762 9.749 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.249 -2.736 9.294 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -1.251 -3.290 7.162 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -0.901 -3.811 9.901 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -1.909 -4.372 7.769 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -1.734 -4.631 9.136 1.00 0.00 C ATOM 0 H TRP A 82 2.239 -0.188 3.814 1.00 0.00 H new ATOM 0 HA TRP A 82 2.561 -0.065 6.746 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.105 0.394 6.304 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.012 -1.157 5.494 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.664 -0.057 8.845 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.936 -1.687 10.714 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -1.393 -3.099 6.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.762 -4.007 10.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -2.553 -5.008 7.180 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -2.243 -5.464 9.597 1.00 0.00 H new ATOM 1224 N CYS A 83 3.691 -2.231 6.156 1.00 0.00 N ATOM 1225 CA CYS A 83 4.297 -3.549 5.855 1.00 0.00 C ATOM 1226 C CYS A 83 3.866 -4.574 6.890 1.00 0.00 C ATOM 1227 O CYS A 83 4.279 -4.514 8.021 1.00 0.00 O ATOM 1228 CB CYS A 83 5.818 -3.415 5.897 1.00 0.00 C ATOM 1229 SG CYS A 83 6.544 -4.452 4.610 1.00 0.00 S ATOM 0 H CYS A 83 4.205 -1.659 6.826 1.00 0.00 H new ATOM 0 HA CYS A 83 3.969 -3.876 4.868 1.00 0.00 H new ATOM 0 HB2 CYS A 83 6.107 -2.375 5.748 1.00 0.00 H new ATOM 0 HB3 CYS A 83 6.194 -3.713 6.876 1.00 0.00 H new ATOM 1234 N TYR A 84 3.073 -5.536 6.519 1.00 0.00 N ATOM 1235 CA TYR A 84 2.689 -6.565 7.516 1.00 0.00 C ATOM 1236 C TYR A 84 3.934 -7.403 7.784 1.00 0.00 C ATOM 1237 O TYR A 84 3.927 -8.337 8.560 1.00 0.00 O ATOM 1238 CB TYR A 84 1.562 -7.449 6.968 1.00 0.00 C ATOM 1239 CG TYR A 84 0.906 -8.197 8.106 1.00 0.00 C ATOM 1240 CD1 TYR A 84 0.989 -9.594 8.167 1.00 0.00 C ATOM 1241 CD2 TYR A 84 0.215 -7.493 9.099 1.00 0.00 C ATOM 1242 CE1 TYR A 84 0.382 -10.285 9.222 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -0.393 -8.185 10.154 1.00 0.00 C ATOM 1244 CZ TYR A 84 -0.308 -9.581 10.216 1.00 0.00 C ATOM 1245 OH TYR A 84 -0.908 -10.263 11.255 1.00 0.00 O ATOM 0 H TYR A 84 2.680 -5.653 5.585 1.00 0.00 H new ATOM 0 HA TYR A 84 2.323 -6.101 8.432 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.825 -6.836 6.449 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.961 -8.154 6.238 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.521 -10.138 7.400 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.151 -6.416 9.052 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.446 -11.362 9.269 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.927 -7.642 10.919 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.343 -9.624 11.858 1.00 0.00 H new ATOM 1255 N ALA A 85 5.021 -7.036 7.152 1.00 0.00 N ATOM 1256 CA ALA A 85 6.303 -7.753 7.359 1.00 0.00 C ATOM 1257 C ALA A 85 7.126 -6.911 8.328 1.00 0.00 C ATOM 1258 O ALA A 85 7.281 -7.252 9.483 1.00 0.00 O ATOM 1259 CB ALA A 85 7.052 -7.899 6.034 1.00 0.00 C ATOM 0 H ALA A 85 5.068 -6.258 6.494 1.00 0.00 H new ATOM 0 HA ALA A 85 6.127 -8.754 7.754 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.990 -8.427 6.203 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.440 -8.463 5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.260 -6.911 5.623 1.00 0.00 H new ATOM 1265 N CYS A 86 7.603 -5.771 7.887 1.00 0.00 N ATOM 1266 CA CYS A 86 8.341 -4.891 8.814 1.00 0.00 C ATOM 1267 C CYS A 86 7.328 -4.476 9.870 1.00 0.00 C ATOM 1268 O CYS A 86 7.653 -3.932 10.906 1.00 0.00 O ATOM 1269 CB CYS A 86 8.857 -3.655 8.064 1.00 0.00 C ATOM 1270 SG CYS A 86 9.821 -4.172 6.621 1.00 0.00 S ATOM 0 H CYS A 86 7.509 -5.424 6.932 1.00 0.00 H new ATOM 0 HA CYS A 86 9.204 -5.392 9.253 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.019 -3.033 7.749 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.474 -3.047 8.726 1.00 0.00 H new ATOM 1275 N GLU A 87 6.083 -4.756 9.586 1.00 0.00 N ATOM 1276 CA GLU A 87 4.983 -4.420 10.524 1.00 0.00 C ATOM 1277 C GLU A 87 5.140 -2.971 10.992 1.00 0.00 C ATOM 1278 O GLU A 87 5.369 -2.691 12.152 1.00 0.00 O ATOM 1279 CB GLU A 87 5.027 -5.402 11.695 1.00 0.00 C ATOM 1280 CG GLU A 87 3.729 -6.216 11.745 1.00 0.00 C ATOM 1281 CD GLU A 87 2.584 -5.327 12.231 1.00 0.00 C ATOM 1282 OE1 GLU A 87 2.220 -4.414 11.508 1.00 0.00 O ATOM 1283 OE2 GLU A 87 2.089 -5.573 13.319 1.00 0.00 O ATOM 0 H GLU A 87 5.781 -5.212 8.725 1.00 0.00 H new ATOM 0 HA GLU A 87 4.013 -4.507 10.035 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.881 -6.070 11.588 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.162 -4.859 12.631 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.499 -6.614 10.757 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.849 -7.069 12.412 1.00 0.00 H new ATOM 1290 N LYS A 88 5.011 -2.048 10.079 1.00 0.00 N ATOM 1291 CA LYS A 88 5.141 -0.606 10.435 1.00 0.00 C ATOM 1292 C LYS A 88 4.563 0.237 9.298 1.00 0.00 C ATOM 1293 O LYS A 88 4.075 -0.285 8.318 1.00 0.00 O ATOM 1294 CB LYS A 88 6.617 -0.258 10.627 1.00 0.00 C ATOM 1295 CG LYS A 88 7.431 -0.888 9.498 1.00 0.00 C ATOM 1296 CD LYS A 88 8.844 -0.296 9.485 1.00 0.00 C ATOM 1297 CE LYS A 88 9.600 -0.719 10.750 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.411 0.311 11.809 1.00 0.00 N ATOM 0 H LYS A 88 4.820 -2.232 9.094 1.00 0.00 H new ATOM 0 HA LYS A 88 4.601 -0.403 11.360 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.751 0.824 10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.967 -0.624 11.592 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.481 -1.969 9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.942 -0.708 8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.381 -0.635 8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.791 0.791 9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.235 -1.685 11.098 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.661 -0.839 10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.328 0.746 12.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.756 1.043 11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.017 -0.136 12.662 1.00 0.00 H new ATOM 1312 N GLU A 89 4.622 1.536 9.418 1.00 0.00 N ATOM 1313 CA GLU A 89 4.083 2.423 8.342 1.00 0.00 C ATOM 1314 C GLU A 89 5.256 3.086 7.618 1.00 0.00 C ATOM 1315 O GLU A 89 6.268 3.387 8.220 1.00 0.00 O ATOM 1316 CB GLU A 89 3.185 3.495 8.981 1.00 0.00 C ATOM 1317 CG GLU A 89 1.815 3.517 8.289 1.00 0.00 C ATOM 1318 CD GLU A 89 0.783 4.155 9.222 1.00 0.00 C ATOM 1319 OE1 GLU A 89 -0.183 3.485 9.551 1.00 0.00 O ATOM 1320 OE2 GLU A 89 0.977 5.301 9.592 1.00 0.00 O ATOM 0 H GLU A 89 5.022 2.025 10.219 1.00 0.00 H new ATOM 0 HA GLU A 89 3.497 1.844 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.061 3.290 10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.658 4.473 8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.875 4.079 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.510 2.503 8.030 1.00 0.00 H new ATOM 1327 N VAL A 90 5.152 3.304 6.330 1.00 0.00 N ATOM 1328 CA VAL A 90 6.301 3.930 5.610 1.00 0.00 C ATOM 1329 C VAL A 90 5.815 4.679 4.364 1.00 0.00 C ATOM 1330 O VAL A 90 4.835 4.331 3.756 1.00 0.00 O ATOM 1331 CB VAL A 90 7.290 2.819 5.192 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.471 2.775 6.168 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.572 1.466 5.210 1.00 0.00 C ATOM 0 H VAL A 90 4.338 3.081 5.757 1.00 0.00 H new ATOM 0 HA VAL A 90 6.792 4.644 6.271 1.00 0.00 H new ATOM 0 HB VAL A 90 7.659 3.030 4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.163 1.989 5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.986 3.736 6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.104 2.569 7.174 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.268 0.681 4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.201 1.264 6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.735 1.489 4.512 1.00 0.00 H new ATOM 1343 N PHE A 91 6.522 5.696 3.971 1.00 0.00 N ATOM 1344 CA PHE A 91 6.140 6.463 2.752 1.00 0.00 C ATOM 1345 C PHE A 91 7.040 6.010 1.622 1.00 0.00 C ATOM 1346 O PHE A 91 7.998 5.296 1.837 1.00 0.00 O ATOM 1347 CB PHE A 91 6.392 7.954 2.946 1.00 0.00 C ATOM 1348 CG PHE A 91 5.591 8.470 4.117 1.00 0.00 C ATOM 1349 CD1 PHE A 91 4.291 8.949 3.921 1.00 0.00 C ATOM 1350 CD2 PHE A 91 6.151 8.471 5.401 1.00 0.00 C ATOM 1351 CE1 PHE A 91 3.550 9.430 5.007 1.00 0.00 C ATOM 1352 CE2 PHE A 91 5.410 8.951 6.487 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.109 9.431 6.290 1.00 0.00 C ATOM 0 H PHE A 91 7.359 6.035 4.446 1.00 0.00 H new ATOM 0 HA PHE A 91 5.083 6.292 2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.454 8.132 3.116 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.119 8.497 2.041 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.859 8.948 2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.154 8.101 5.553 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.547 9.800 4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.841 8.951 7.477 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.537 9.802 7.128 1.00 0.00 H new ATOM 1363 N LEU A 92 6.758 6.426 0.424 1.00 0.00 N ATOM 1364 CA LEU A 92 7.630 6.030 -0.698 1.00 0.00 C ATOM 1365 C LEU A 92 9.085 6.248 -0.275 1.00 0.00 C ATOM 1366 O LEU A 92 9.373 6.628 0.843 1.00 0.00 O ATOM 1367 CB LEU A 92 7.312 6.882 -1.927 1.00 0.00 C ATOM 1368 CG LEU A 92 5.801 6.825 -2.226 1.00 0.00 C ATOM 1369 CD1 LEU A 92 5.213 8.239 -2.206 1.00 0.00 C ATOM 1370 CD2 LEU A 92 5.570 6.204 -3.608 1.00 0.00 C ATOM 0 H LEU A 92 5.966 7.019 0.178 1.00 0.00 H new ATOM 0 HA LEU A 92 7.466 4.982 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.619 7.914 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.876 6.521 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 92 5.313 6.217 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.145 8.192 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.369 8.684 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.707 8.849 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.501 6.166 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.065 6.810 -4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.980 5.194 -3.626 1.00 0.00 H new ATOM 1382 N GLU A 93 9.997 6.005 -1.148 1.00 0.00 N ATOM 1383 CA GLU A 93 11.433 6.181 -0.787 1.00 0.00 C ATOM 1384 C GLU A 93 11.795 7.669 -0.790 1.00 0.00 C ATOM 1385 O GLU A 93 12.925 8.041 -0.544 1.00 0.00 O ATOM 1386 CB GLU A 93 12.316 5.415 -1.775 1.00 0.00 C ATOM 1387 CG GLU A 93 11.831 5.649 -3.210 1.00 0.00 C ATOM 1388 CD GLU A 93 12.415 4.576 -4.130 1.00 0.00 C ATOM 1389 OE1 GLU A 93 12.501 3.437 -3.699 1.00 0.00 O ATOM 1390 OE2 GLU A 93 12.767 4.910 -5.249 1.00 0.00 O ATOM 0 H GLU A 93 9.823 5.691 -2.103 1.00 0.00 H new ATOM 0 HA GLU A 93 11.601 5.784 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.352 5.740 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.293 4.350 -1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.742 5.620 -3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.135 6.639 -3.550 1.00 0.00 H new ATOM 1397 N GLN A 94 10.840 8.521 -1.052 1.00 0.00 N ATOM 1398 CA GLN A 94 11.113 9.991 -1.059 1.00 0.00 C ATOM 1399 C GLN A 94 12.105 10.345 -2.171 1.00 0.00 C ATOM 1400 O GLN A 94 12.052 11.419 -2.738 1.00 0.00 O ATOM 1401 CB GLN A 94 11.692 10.416 0.295 1.00 0.00 C ATOM 1402 CG GLN A 94 10.910 9.740 1.425 1.00 0.00 C ATOM 1403 CD GLN A 94 11.204 10.451 2.746 1.00 0.00 C ATOM 1404 OE1 GLN A 94 12.396 10.362 3.269 1.00 0.00 O flip ATOM 1405 NE2 GLN A 94 10.341 11.094 3.310 1.00 0.00 N flip ATOM 0 H GLN A 94 9.876 8.262 -1.263 1.00 0.00 H new ATOM 0 HA GLN A 94 10.176 10.519 -1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.745 10.141 0.354 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.639 11.500 0.400 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.841 9.773 1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.189 8.689 1.496 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.409 11.164 2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.549 11.564 4.191 1.00 0.00 H new ATOM 1414 N ARG A 95 13.009 9.458 -2.489 1.00 0.00 N ATOM 1415 CA ARG A 95 14.002 9.750 -3.564 1.00 0.00 C ATOM 1416 C ARG A 95 13.277 10.385 -4.757 1.00 0.00 C ATOM 1417 O ARG A 95 13.842 11.151 -5.512 1.00 0.00 O ATOM 1418 CB ARG A 95 14.692 8.433 -3.968 1.00 0.00 C ATOM 1419 CG ARG A 95 14.052 7.825 -5.226 1.00 0.00 C ATOM 1420 CD ARG A 95 14.668 8.446 -6.489 1.00 0.00 C ATOM 1421 NE ARG A 95 15.706 7.526 -7.034 1.00 0.00 N ATOM 1422 CZ ARG A 95 15.351 6.411 -7.609 1.00 0.00 C ATOM 1423 NH1 ARG A 95 16.260 5.601 -8.081 1.00 0.00 N ATOM 1424 NH2 ARG A 95 14.087 6.102 -7.714 1.00 0.00 N ATOM 0 H ARG A 95 13.103 8.542 -2.050 1.00 0.00 H new ATOM 0 HA ARG A 95 14.761 10.449 -3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 95 15.751 8.617 -4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.629 7.721 -3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 95 14.201 6.745 -5.233 1.00 0.00 H new ATOM 0 HG3 ARG A 95 12.976 7.998 -5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 95 13.894 8.623 -7.236 1.00 0.00 H new ATOM 0 HD3 ARG A 95 15.111 9.414 -6.254 1.00 0.00 H new ATOM 0 HE ARG A 95 16.694 7.769 -6.957 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.248 5.841 -8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 95 15.982 4.729 -8.531 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.375 6.733 -7.346 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.811 5.229 -8.164 1.00 0.00 H new ATOM 1438 N LEU A 96 12.023 10.073 -4.911 1.00 0.00 N ATOM 1439 CA LEU A 96 11.232 10.648 -6.033 1.00 0.00 C ATOM 1440 C LEU A 96 10.969 12.122 -5.744 1.00 0.00 C ATOM 1441 O LEU A 96 11.382 13.001 -6.474 1.00 0.00 O ATOM 1442 CB LEU A 96 9.892 9.906 -6.147 1.00 0.00 C ATOM 1443 CG LEU A 96 9.426 9.432 -4.759 1.00 0.00 C ATOM 1444 CD1 LEU A 96 7.946 9.058 -4.816 1.00 0.00 C ATOM 1445 CD2 LEU A 96 10.233 8.205 -4.313 1.00 0.00 C ATOM 0 H LEU A 96 11.507 9.438 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 96 11.784 10.544 -6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.141 10.563 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.997 9.051 -6.815 1.00 0.00 H new ATOM 0 HG LEU A 96 9.580 10.242 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.617 8.722 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.362 9.928 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.801 8.256 -5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.891 7.882 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.091 7.396 -5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.291 8.464 -4.262 1.00 0.00 H new ATOM 1457 N ALA A 97 10.281 12.387 -4.674 1.00 0.00 N ATOM 1458 CA ALA A 97 9.972 13.798 -4.305 1.00 0.00 C ATOM 1459 C ALA A 97 9.086 14.429 -5.381 1.00 0.00 C ATOM 1460 O ALA A 97 8.486 13.744 -6.186 1.00 0.00 O ATOM 1461 CB ALA A 97 11.276 14.592 -4.182 1.00 0.00 C ATOM 0 H ALA A 97 9.915 11.684 -4.032 1.00 0.00 H new ATOM 0 HA ALA A 97 9.446 13.815 -3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.050 15.624 -3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.903 14.144 -3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.804 14.574 -5.135 1.00 0.00 H new ATOM 1467 N ALA A 98 8.995 15.731 -5.399 1.00 0.00 N ATOM 1468 CA ALA A 98 8.147 16.407 -6.420 1.00 0.00 C ATOM 1469 C ALA A 98 8.610 17.860 -6.581 1.00 0.00 C ATOM 1470 O ALA A 98 9.241 18.416 -5.704 1.00 0.00 O ATOM 1471 CB ALA A 98 6.683 16.374 -5.963 1.00 0.00 C ATOM 0 H ALA A 98 9.472 16.356 -4.749 1.00 0.00 H new ATOM 0 HA ALA A 98 8.238 15.893 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.058 16.868 -6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.361 15.339 -5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.588 16.892 -5.009 1.00 0.00 H new ATOM 1477 N PRO A 99 8.297 18.469 -7.695 1.00 0.00 N ATOM 1478 CA PRO A 99 8.684 19.882 -7.977 1.00 0.00 C ATOM 1479 C PRO A 99 7.916 20.877 -7.101 1.00 0.00 C ATOM 1480 O PRO A 99 6.700 20.779 -7.053 1.00 0.00 O ATOM 1481 CB PRO A 99 8.324 20.073 -9.455 1.00 0.00 C ATOM 1482 CG PRO A 99 7.255 19.065 -9.729 1.00 0.00 C ATOM 1483 CD PRO A 99 7.538 17.877 -8.810 1.00 0.00 C ATOM 1484 OXT PRO A 99 8.557 21.719 -6.493 1.00 0.00 O ATOM 0 HA PRO A 99 9.737 20.065 -7.762 1.00 0.00 H new ATOM 0 HB2 PRO A 99 7.969 21.086 -9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 99 9.191 19.912 -10.096 1.00 0.00 H new ATOM 0 HG2 PRO A 99 6.268 19.482 -9.532 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.268 18.759 -10.775 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.616 17.411 -8.463 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.113 17.105 -9.320 1.00 0.00 H new TER 1492 PRO A 99 HETATM 1493 ZN ZN A 101 8.829 -4.297 4.529 1.00 0.00 ZN HETATM 1494 ZN ZN A 102 -12.061 -5.383 1.467 1.00 0.00 ZN HETATM 1495 ZN ZN A 103 -1.798 -8.183 -2.603 1.00 0.00 ZN