USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 822 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 40 HIS HD1 : A 40 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD NoAdj-H: B 40 HIS HD1 : B 40 HIS ND1 : B 150 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.263 (180deg=0.0575) USER MOD Single : A 3 TYR OH : rot 105:sc= -1.62! USER MOD Single : A 8 TYR OH : rot -176:sc= 1.07 USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00166) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 15 MET CE :methyl 152:sc= -0.441 (180deg=-0.677) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 15:sc= -0.142 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.17) USER MOD Single : A 46 THR OG1 : rot 75:sc= 1.21 USER MOD Single : A 48 ASN : amide:sc=-0.00962 K(o=-0.0096,f=-0.98) USER MOD Single : B 1 MET CE :methyl -179:sc= 0 (180deg=-0.00199) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : B 13 GLN : amide:sc= -0.66 K(o=-0.66,f=-2!) USER MOD Single : B 15 MET CE :methyl -177:sc= -0.523 (180deg=-0.559) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 60:sc= -0.347 USER MOD Single : B 22 SER OG : rot -160:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0107) USER MOD Single : B 39 LYS NZ :NH3+ -173:sc= 0.154 (180deg=0.139) USER MOD Single : B 46 THR OG1 : rot 72:sc= 0.164 USER MOD Single : B 48 ASN : amide:sc= -0.0425 X(o=-0.042,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.297 -18.769 -4.679 1.00 0.00 N ATOM 2 CA MET A 1 -7.674 -18.828 -6.121 1.00 0.00 C ATOM 3 C MET A 1 -7.870 -17.397 -6.663 1.00 0.00 C ATOM 4 O MET A 1 -8.953 -17.018 -7.107 1.00 0.00 O ATOM 5 CB MET A 1 -8.912 -19.747 -6.288 1.00 0.00 C ATOM 6 CG MET A 1 -8.918 -20.581 -7.575 1.00 0.00 C ATOM 7 SD MET A 1 -9.003 -19.686 -9.151 1.00 0.00 S ATOM 8 CE MET A 1 -9.257 -21.104 -10.256 1.00 0.00 C ATOM 0 H1 MET A 1 -7.492 -19.687 -4.231 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.284 -18.550 -4.594 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.852 -18.028 -4.205 1.00 0.00 H new ATOM 0 HA MET A 1 -6.879 -19.271 -6.721 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.966 -20.421 -5.433 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.811 -19.131 -6.265 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.016 -21.193 -7.584 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.766 -21.264 -7.530 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.335 -20.754 -11.285 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.414 -21.789 -10.169 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.175 -21.622 -9.979 1.00 0.00 H new ATOM 20 N ASP A 2 -6.834 -16.551 -6.530 1.00 0.00 N ATOM 21 CA ASP A 2 -6.945 -15.068 -6.492 1.00 0.00 C ATOM 22 C ASP A 2 -5.604 -14.330 -6.239 1.00 0.00 C ATOM 23 O ASP A 2 -5.480 -13.152 -6.572 1.00 0.00 O ATOM 24 CB ASP A 2 -7.965 -14.643 -5.410 1.00 0.00 C ATOM 25 CG ASP A 2 -7.747 -15.386 -4.079 1.00 0.00 C ATOM 26 OD1 ASP A 2 -6.635 -15.302 -3.508 1.00 0.00 O ATOM 27 OD2 ASP A 2 -8.644 -16.156 -3.663 1.00 0.00 O ATOM 0 H ASP A 2 -5.872 -16.878 -6.443 1.00 0.00 H new ATOM 0 HA ASP A 2 -7.277 -14.775 -7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.886 -13.569 -5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.975 -14.836 -5.770 1.00 0.00 H new ATOM 32 N TYR A 3 -4.594 -15.019 -5.682 1.00 0.00 N ATOM 33 CA TYR A 3 -3.197 -14.573 -5.505 1.00 0.00 C ATOM 34 C TYR A 3 -2.991 -13.407 -4.507 1.00 0.00 C ATOM 35 O TYR A 3 -1.896 -12.846 -4.423 1.00 0.00 O ATOM 36 CB TYR A 3 -2.529 -14.299 -6.873 1.00 0.00 C ATOM 37 CG TYR A 3 -3.059 -15.110 -8.048 1.00 0.00 C ATOM 38 CD1 TYR A 3 -3.024 -16.520 -8.024 1.00 0.00 C ATOM 39 CD2 TYR A 3 -3.656 -14.446 -9.138 1.00 0.00 C ATOM 40 CE1 TYR A 3 -3.606 -17.260 -9.073 1.00 0.00 C ATOM 41 CE2 TYR A 3 -4.228 -15.180 -10.194 1.00 0.00 C ATOM 42 CZ TYR A 3 -4.211 -16.591 -10.162 1.00 0.00 C ATOM 43 OH TYR A 3 -4.785 -17.298 -11.175 1.00 0.00 O ATOM 0 H TYR A 3 -4.738 -15.962 -5.320 1.00 0.00 H new ATOM 0 HA TYR A 3 -2.689 -15.410 -5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.644 -13.240 -7.106 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -1.460 -14.490 -6.778 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.550 -17.033 -7.200 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.675 -13.366 -9.163 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.590 -18.340 -9.045 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.680 -14.664 -11.028 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.760 -17.258 -11.090 1.00 0.00 H new ATOM 53 N LEU A 4 -4.018 -13.045 -3.730 1.00 0.00 N ATOM 54 CA LEU A 4 -4.090 -11.856 -2.876 1.00 0.00 C ATOM 55 C LEU A 4 -2.945 -11.719 -1.867 1.00 0.00 C ATOM 56 O LEU A 4 -2.511 -10.608 -1.589 1.00 0.00 O ATOM 57 CB LEU A 4 -5.427 -11.912 -2.131 1.00 0.00 C ATOM 58 CG LEU A 4 -6.673 -11.930 -3.026 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.916 -12.153 -2.173 1.00 0.00 C ATOM 60 CD2 LEU A 4 -6.857 -10.653 -3.845 1.00 0.00 C ATOM 0 H LEU A 4 -4.868 -13.606 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.002 -10.983 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.438 -12.803 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.490 -11.051 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.529 -12.747 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.799 -12.165 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.833 -13.106 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.007 -11.347 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.757 -10.738 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.952 -9.800 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.993 -10.509 -4.494 1.00 0.00 H new ATOM 72 N ARG A 5 -2.430 -12.825 -1.328 1.00 0.00 N ATOM 73 CA ARG A 5 -1.335 -12.823 -0.341 1.00 0.00 C ATOM 74 C ARG A 5 -0.062 -12.162 -0.871 1.00 0.00 C ATOM 75 O ARG A 5 0.517 -11.332 -0.174 1.00 0.00 O ATOM 76 CB ARG A 5 -1.085 -14.270 0.122 1.00 0.00 C ATOM 77 CG ARG A 5 -0.169 -14.345 1.351 1.00 0.00 C ATOM 78 CD ARG A 5 0.101 -15.803 1.743 1.00 0.00 C ATOM 79 NE ARG A 5 0.903 -15.895 2.981 1.00 0.00 N ATOM 80 CZ ARG A 5 1.519 -16.968 3.448 1.00 0.00 C ATOM 81 NH1 ARG A 5 1.501 -18.111 2.821 1.00 0.00 N ATOM 82 NH2 ARG A 5 2.176 -16.916 4.571 1.00 0.00 N ATOM 0 H ARG A 5 -2.761 -13.761 -1.563 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.636 -12.216 0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.039 -14.743 0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.639 -14.837 -0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.774 -13.841 1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.631 -13.819 2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.846 -16.324 1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.625 -16.307 0.931 1.00 0.00 H new ATOM 0 HE ARG A 5 0.991 -15.042 3.533 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.999 -18.200 1.937 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.989 -18.916 3.214 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.218 -16.043 5.097 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.648 -17.748 4.924 1.00 0.00 H new ATOM 96 N GLU A 6 0.346 -12.447 -2.107 1.00 0.00 N ATOM 97 CA GLU A 6 1.456 -11.772 -2.758 1.00 0.00 C ATOM 98 C GLU A 6 1.172 -10.280 -2.990 1.00 0.00 C ATOM 99 O GLU A 6 2.087 -9.467 -2.886 1.00 0.00 O ATOM 100 CB GLU A 6 1.715 -12.488 -4.088 1.00 0.00 C ATOM 101 CG GLU A 6 2.695 -13.655 -3.931 1.00 0.00 C ATOM 102 CD GLU A 6 3.145 -14.193 -5.303 1.00 0.00 C ATOM 103 OE1 GLU A 6 2.479 -15.104 -5.853 1.00 0.00 O ATOM 104 OE2 GLU A 6 4.181 -13.721 -5.834 1.00 0.00 O ATOM 0 H GLU A 6 -0.093 -13.162 -2.687 1.00 0.00 H new ATOM 0 HA GLU A 6 2.335 -11.816 -2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.772 -12.858 -4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.112 -11.776 -4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.566 -13.328 -3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.223 -14.455 -3.361 1.00 0.00 H new ATOM 111 N LEU A 7 -0.087 -9.901 -3.244 1.00 0.00 N ATOM 112 CA LEU A 7 -0.489 -8.503 -3.380 1.00 0.00 C ATOM 113 C LEU A 7 -0.400 -7.780 -2.032 1.00 0.00 C ATOM 114 O LEU A 7 0.206 -6.720 -1.954 1.00 0.00 O ATOM 115 CB LEU A 7 -1.901 -8.420 -3.977 1.00 0.00 C ATOM 116 CG LEU A 7 -2.161 -9.267 -5.235 1.00 0.00 C ATOM 117 CD1 LEU A 7 -3.583 -9.043 -5.744 1.00 0.00 C ATOM 118 CD2 LEU A 7 -1.184 -8.983 -6.374 1.00 0.00 C ATOM 0 H LEU A 7 -0.856 -10.561 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 7 0.196 -8.000 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.615 -8.719 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.110 -7.378 -4.217 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.017 -10.303 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.751 -9.649 -6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.296 -9.329 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.719 -7.990 -5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.427 -9.615 -7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.259 -7.935 -6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.167 -9.195 -6.043 1.00 0.00 H new ATOM 130 N TYR A 8 -0.901 -8.374 -0.947 1.00 0.00 N ATOM 131 CA TYR A 8 -0.715 -7.914 0.432 1.00 0.00 C ATOM 132 C TYR A 8 0.758 -7.668 0.750 1.00 0.00 C ATOM 133 O TYR A 8 1.131 -6.567 1.151 1.00 0.00 O ATOM 134 CB TYR A 8 -1.355 -8.945 1.380 1.00 0.00 C ATOM 135 CG TYR A 8 -2.081 -8.384 2.597 1.00 0.00 C ATOM 136 CD1 TYR A 8 -1.498 -7.374 3.393 1.00 0.00 C ATOM 137 CD2 TYR A 8 -3.355 -8.885 2.943 1.00 0.00 C ATOM 138 CE1 TYR A 8 -2.193 -6.857 4.504 1.00 0.00 C ATOM 139 CE2 TYR A 8 -4.052 -8.371 4.057 1.00 0.00 C ATOM 140 CZ TYR A 8 -3.471 -7.350 4.841 1.00 0.00 C ATOM 141 OH TYR A 8 -4.116 -6.843 5.927 1.00 0.00 O ATOM 0 H TYR A 8 -1.468 -9.220 -1.006 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.209 -6.952 0.569 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.062 -9.545 0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.574 -9.620 1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.516 -6.997 3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.800 -9.669 2.349 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.744 -6.078 5.102 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.028 -8.758 4.310 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.957 -7.328 6.064 1.00 0.00 H new ATOM 151 N LYS A 9 1.613 -8.651 0.459 1.00 0.00 N ATOM 152 CA LYS A 9 3.078 -8.533 0.604 1.00 0.00 C ATOM 153 C LYS A 9 3.770 -7.522 -0.334 1.00 0.00 C ATOM 154 O LYS A 9 4.988 -7.371 -0.244 1.00 0.00 O ATOM 155 CB LYS A 9 3.746 -9.924 0.555 1.00 0.00 C ATOM 156 CG LYS A 9 3.348 -10.906 1.677 1.00 0.00 C ATOM 157 CD LYS A 9 3.291 -10.270 3.077 1.00 0.00 C ATOM 158 CE LYS A 9 3.215 -11.312 4.203 1.00 0.00 C ATOM 159 NZ LYS A 9 4.520 -11.994 4.434 1.00 0.00 N ATOM 0 H LYS A 9 1.312 -9.562 0.113 1.00 0.00 H new ATOM 0 HA LYS A 9 3.226 -8.097 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.510 -10.385 -0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.827 -9.787 0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.372 -11.332 1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.060 -11.731 1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.173 -9.647 3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.423 -9.613 3.137 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.894 -10.825 5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.458 -12.056 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.422 -12.675 5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.807 -12.496 3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.242 -11.287 4.680 1.00 0.00 H new ATOM 173 N LEU A 10 3.029 -6.782 -1.164 1.00 0.00 N ATOM 174 CA LEU A 10 3.534 -5.685 -2.010 1.00 0.00 C ATOM 175 C LEU A 10 2.827 -4.340 -1.748 1.00 0.00 C ATOM 176 O LEU A 10 3.481 -3.298 -1.731 1.00 0.00 O ATOM 177 CB LEU A 10 3.405 -6.085 -3.492 1.00 0.00 C ATOM 178 CG LEU A 10 4.307 -7.256 -3.932 1.00 0.00 C ATOM 179 CD1 LEU A 10 3.946 -7.676 -5.358 1.00 0.00 C ATOM 180 CD2 LEU A 10 5.788 -6.890 -3.906 1.00 0.00 C ATOM 0 H LEU A 10 2.026 -6.932 -1.273 1.00 0.00 H new ATOM 0 HA LEU A 10 4.581 -5.529 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.367 -6.351 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.636 -5.216 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 10 4.139 -8.069 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.585 -8.504 -5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.903 -7.991 -5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.093 -6.833 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.380 -7.748 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.968 -6.054 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.075 -6.606 -2.893 1.00 0.00 H new ATOM 192 N GLU A 11 1.519 -4.330 -1.483 1.00 0.00 N ATOM 193 CA GLU A 11 0.738 -3.105 -1.255 1.00 0.00 C ATOM 194 C GLU A 11 0.998 -2.507 0.138 1.00 0.00 C ATOM 195 O GLU A 11 1.005 -1.288 0.303 1.00 0.00 O ATOM 196 CB GLU A 11 -0.760 -3.412 -1.439 1.00 0.00 C ATOM 197 CG GLU A 11 -1.162 -3.846 -2.862 1.00 0.00 C ATOM 198 CD GLU A 11 -1.199 -2.664 -3.828 1.00 0.00 C ATOM 199 OE1 GLU A 11 -0.337 -1.771 -3.898 1.00 0.00 O ATOM 200 OE2 GLU A 11 -2.192 -2.250 -4.450 1.00 0.00 O ATOM 0 H GLU A 11 0.962 -5.182 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 11 1.053 -2.360 -1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.043 -4.200 -0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.334 -2.525 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.456 -4.592 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.142 -4.322 -2.833 1.00 0.00 H new ATOM 207 N GLN A 12 1.306 -3.352 1.128 1.00 0.00 N ATOM 208 CA GLN A 12 1.824 -2.964 2.445 1.00 0.00 C ATOM 209 C GLN A 12 3.327 -2.614 2.439 1.00 0.00 C ATOM 210 O GLN A 12 3.914 -2.404 3.502 1.00 0.00 O ATOM 211 CB GLN A 12 1.526 -4.114 3.427 1.00 0.00 C ATOM 212 CG GLN A 12 0.566 -3.693 4.533 1.00 0.00 C ATOM 213 CD GLN A 12 1.254 -2.992 5.707 1.00 0.00 C ATOM 214 OE1 GLN A 12 2.131 -3.532 6.369 1.00 0.00 O ATOM 215 NE2 GLN A 12 0.874 -1.774 6.034 1.00 0.00 N ATOM 0 H GLN A 12 1.198 -4.362 1.031 1.00 0.00 H new ATOM 0 HA GLN A 12 1.323 -2.046 2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.101 -4.955 2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.459 -4.461 3.871 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.188 -3.027 4.114 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.042 -4.574 4.903 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.145 -1.305 5.496 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.309 -1.299 6.825 1.00 0.00 H new ATOM 224 N GLN A 13 3.969 -2.557 1.265 1.00 0.00 N ATOM 225 CA GLN A 13 5.419 -2.524 1.109 1.00 0.00 C ATOM 226 C GLN A 13 5.865 -1.356 0.240 1.00 0.00 C ATOM 227 O GLN A 13 6.720 -0.591 0.676 1.00 0.00 O ATOM 228 CB GLN A 13 5.896 -3.855 0.541 1.00 0.00 C ATOM 229 CG GLN A 13 6.478 -4.774 1.621 1.00 0.00 C ATOM 230 CD GLN A 13 7.574 -5.722 1.117 1.00 0.00 C ATOM 231 OE1 GLN A 13 7.793 -5.938 -0.067 1.00 0.00 O ATOM 232 NE2 GLN A 13 8.358 -6.289 2.012 1.00 0.00 N ATOM 0 H GLN A 13 3.474 -2.532 0.374 1.00 0.00 H new ATOM 0 HA GLN A 13 5.873 -2.373 2.088 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.063 -4.358 0.050 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.652 -3.672 -0.223 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.886 -4.160 2.424 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.671 -5.366 2.052 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.198 -6.126 3.006 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.125 -6.891 1.710 1.00 0.00 H new ATOM 241 N ALA A 14 5.190 -1.105 -0.885 1.00 0.00 N ATOM 242 CA ALA A 14 5.073 0.223 -1.481 1.00 0.00 C ATOM 243 C ALA A 14 4.225 1.142 -0.568 1.00 0.00 C ATOM 244 O ALA A 14 3.137 1.585 -0.933 1.00 0.00 O ATOM 245 CB ALA A 14 4.528 0.080 -2.911 1.00 0.00 C ATOM 0 H ALA A 14 4.704 -1.830 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 14 6.046 0.707 -1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.437 1.066 -3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.212 -0.530 -3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.549 -0.398 -2.881 1.00 0.00 H new ATOM 251 N MET A 15 4.695 1.334 0.673 1.00 0.00 N ATOM 252 CA MET A 15 4.029 2.083 1.741 1.00 0.00 C ATOM 253 C MET A 15 4.983 2.575 2.830 1.00 0.00 C ATOM 254 O MET A 15 4.997 3.769 3.128 1.00 0.00 O ATOM 255 CB MET A 15 2.939 1.181 2.357 1.00 0.00 C ATOM 256 CG MET A 15 2.198 1.794 3.554 1.00 0.00 C ATOM 257 SD MET A 15 1.496 3.448 3.302 1.00 0.00 S ATOM 258 CE MET A 15 0.541 3.132 1.799 1.00 0.00 C ATOM 0 H MET A 15 5.593 0.952 0.970 1.00 0.00 H new ATOM 0 HA MET A 15 3.597 2.981 1.298 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.211 0.935 1.584 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.398 0.244 2.673 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.391 1.119 3.839 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.888 1.840 4.397 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.311 3.811 1.760 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.173 3.292 0.926 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.184 2.102 1.804 1.00 0.00 H new ATOM 268 N LYS A 16 5.817 1.705 3.412 1.00 0.00 N ATOM 269 CA LYS A 16 6.716 2.112 4.505 1.00 0.00 C ATOM 270 C LYS A 16 7.719 3.178 4.065 1.00 0.00 C ATOM 271 O LYS A 16 7.924 4.164 4.766 1.00 0.00 O ATOM 272 CB LYS A 16 7.411 0.878 5.095 1.00 0.00 C ATOM 273 CG LYS A 16 8.077 1.238 6.431 1.00 0.00 C ATOM 274 CD LYS A 16 8.681 0.007 7.117 1.00 0.00 C ATOM 275 CE LYS A 16 9.166 0.352 8.532 1.00 0.00 C ATOM 276 NZ LYS A 16 10.376 1.218 8.532 1.00 0.00 N ATOM 0 H LYS A 16 5.890 0.722 3.149 1.00 0.00 H new ATOM 0 HA LYS A 16 6.113 2.575 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.685 0.079 5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.159 0.503 4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.858 1.978 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.342 1.698 7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.937 -0.788 7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.514 -0.372 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.365 0.855 9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.385 -0.570 9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.659 1.419 9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.152 0.730 8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.164 2.111 8.043 1.00 0.00 H new ATOM 290 N LEU A 17 8.291 3.028 2.872 1.00 0.00 N ATOM 291 CA LEU A 17 9.237 3.982 2.304 1.00 0.00 C ATOM 292 C LEU A 17 8.528 5.251 1.857 1.00 0.00 C ATOM 293 O LEU A 17 9.100 6.335 1.936 1.00 0.00 O ATOM 294 CB LEU A 17 9.981 3.383 1.103 1.00 0.00 C ATOM 295 CG LEU A 17 10.220 1.874 1.181 1.00 0.00 C ATOM 296 CD1 LEU A 17 9.201 1.137 0.321 1.00 0.00 C ATOM 297 CD2 LEU A 17 11.626 1.520 0.728 1.00 0.00 C ATOM 0 H LEU A 17 8.107 2.229 2.266 1.00 0.00 H new ATOM 0 HA LEU A 17 9.956 4.221 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.414 3.600 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.944 3.884 1.004 1.00 0.00 H new ATOM 0 HG LEU A 17 10.106 1.567 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.380 0.064 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.195 1.358 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.297 1.461 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.769 0.441 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.768 1.843 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.352 2.022 1.368 1.00 0.00 H new ATOM 309 N TYR A 18 7.270 5.108 1.421 1.00 0.00 N ATOM 310 CA TYR A 18 6.441 6.251 1.095 1.00 0.00 C ATOM 311 C TYR A 18 6.254 7.159 2.325 1.00 0.00 C ATOM 312 O TYR A 18 6.637 8.328 2.262 1.00 0.00 O ATOM 313 CB TYR A 18 5.113 5.772 0.479 1.00 0.00 C ATOM 314 CG TYR A 18 5.075 5.472 -1.017 1.00 0.00 C ATOM 315 CD1 TYR A 18 5.858 6.175 -1.961 1.00 0.00 C ATOM 316 CD2 TYR A 18 4.178 4.490 -1.475 1.00 0.00 C ATOM 317 CE1 TYR A 18 5.776 5.858 -3.332 1.00 0.00 C ATOM 318 CE2 TYR A 18 4.125 4.137 -2.836 1.00 0.00 C ATOM 319 CZ TYR A 18 4.940 4.809 -3.768 1.00 0.00 C ATOM 320 OH TYR A 18 4.904 4.448 -5.079 1.00 0.00 O ATOM 0 H TYR A 18 6.813 4.206 1.289 1.00 0.00 H new ATOM 0 HA TYR A 18 6.937 6.866 0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.809 4.868 1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.358 6.531 0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.523 6.959 -1.630 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.521 4.000 -0.772 1.00 0.00 H new ATOM 0 HE1 TYR A 18 6.355 6.420 -4.050 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.460 3.352 -3.166 1.00 0.00 H new ATOM 0 HH TYR A 18 5.673 4.837 -5.547 1.00 0.00 H new ATOM 330 N ARG A 19 5.775 6.647 3.470 1.00 0.00 N ATOM 331 CA ARG A 19 5.685 7.454 4.707 1.00 0.00 C ATOM 332 C ARG A 19 7.041 7.979 5.196 1.00 0.00 C ATOM 333 O ARG A 19 7.101 9.122 5.632 1.00 0.00 O ATOM 334 CB ARG A 19 4.889 6.751 5.828 1.00 0.00 C ATOM 335 CG ARG A 19 5.432 5.380 6.250 1.00 0.00 C ATOM 336 CD ARG A 19 4.784 4.838 7.530 1.00 0.00 C ATOM 337 NE ARG A 19 5.508 5.293 8.735 1.00 0.00 N ATOM 338 CZ ARG A 19 5.424 4.777 9.949 1.00 0.00 C ATOM 339 NH1 ARG A 19 4.560 3.848 10.251 1.00 0.00 N ATOM 340 NH2 ARG A 19 6.223 5.182 10.894 1.00 0.00 N ATOM 0 H ARG A 19 5.446 5.687 3.570 1.00 0.00 H new ATOM 0 HA ARG A 19 5.110 8.337 4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.870 7.402 6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.857 6.630 5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.271 4.668 5.440 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.509 5.454 6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.746 5.167 7.581 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.772 3.748 7.500 1.00 0.00 H new ATOM 0 HE ARG A 19 6.137 6.087 8.618 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.920 3.496 9.539 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.524 3.473 11.199 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.919 5.902 10.700 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.153 4.780 11.829 1.00 0.00 H new ATOM 354 N GLU A 20 8.129 7.211 5.076 1.00 0.00 N ATOM 355 CA GLU A 20 9.484 7.638 5.470 1.00 0.00 C ATOM 356 C GLU A 20 9.943 8.876 4.686 1.00 0.00 C ATOM 357 O GLU A 20 10.334 9.893 5.261 1.00 0.00 O ATOM 358 CB GLU A 20 10.455 6.471 5.221 1.00 0.00 C ATOM 359 CG GLU A 20 11.701 6.456 6.122 1.00 0.00 C ATOM 360 CD GLU A 20 12.712 7.585 5.827 1.00 0.00 C ATOM 361 OE1 GLU A 20 13.174 7.702 4.667 1.00 0.00 O ATOM 362 OE2 GLU A 20 13.088 8.325 6.769 1.00 0.00 O ATOM 0 H GLU A 20 8.098 6.264 4.699 1.00 0.00 H new ATOM 0 HA GLU A 20 9.472 7.910 6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.915 5.534 5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.778 6.503 4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.384 6.531 7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.204 5.495 6.011 1.00 0.00 H new ATOM 369 N ALA A 21 9.833 8.795 3.360 1.00 0.00 N ATOM 370 CA ALA A 21 10.151 9.889 2.446 1.00 0.00 C ATOM 371 C ALA A 21 9.214 11.101 2.630 1.00 0.00 C ATOM 372 O ALA A 21 9.691 12.234 2.707 1.00 0.00 O ATOM 373 CB ALA A 21 10.113 9.344 1.015 1.00 0.00 C ATOM 0 H ALA A 21 9.514 7.951 2.884 1.00 0.00 H new ATOM 0 HA ALA A 21 11.150 10.264 2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.348 10.145 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.846 8.544 0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.118 8.954 0.800 1.00 0.00 H new ATOM 379 N SER A 22 7.900 10.878 2.753 1.00 0.00 N ATOM 380 CA SER A 22 6.886 11.935 2.926 1.00 0.00 C ATOM 381 C SER A 22 7.041 12.709 4.237 1.00 0.00 C ATOM 382 O SER A 22 6.858 13.925 4.276 1.00 0.00 O ATOM 383 CB SER A 22 5.483 11.319 2.904 1.00 0.00 C ATOM 384 OG SER A 22 4.523 12.230 2.395 1.00 0.00 O ATOM 0 H SER A 22 7.500 9.940 2.735 1.00 0.00 H new ATOM 0 HA SER A 22 7.030 12.632 2.101 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.490 10.417 2.292 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.201 11.018 3.913 1.00 0.00 H new ATOM 0 HG SER A 22 3.639 11.806 2.392 1.00 0.00 H new ATOM 390 N GLU A 23 7.406 12.006 5.314 1.00 0.00 N ATOM 391 CA GLU A 23 7.708 12.588 6.635 1.00 0.00 C ATOM 392 C GLU A 23 8.820 13.656 6.578 1.00 0.00 C ATOM 393 O GLU A 23 8.799 14.607 7.365 1.00 0.00 O ATOM 394 CB GLU A 23 8.052 11.456 7.623 1.00 0.00 C ATOM 395 CG GLU A 23 8.261 11.924 9.069 1.00 0.00 C ATOM 396 CD GLU A 23 8.481 10.722 10.009 1.00 0.00 C ATOM 397 OE1 GLU A 23 7.484 10.138 10.501 1.00 0.00 O ATOM 398 OE2 GLU A 23 9.654 10.360 10.278 1.00 0.00 O ATOM 0 H GLU A 23 7.503 10.991 5.296 1.00 0.00 H new ATOM 0 HA GLU A 23 6.819 13.113 6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.251 10.717 7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.957 10.954 7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.121 12.592 9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.394 12.496 9.400 1.00 0.00 H new ATOM 405 N ARG A 24 9.749 13.548 5.614 1.00 0.00 N ATOM 406 CA ARG A 24 10.730 14.598 5.293 1.00 0.00 C ATOM 407 C ARG A 24 10.180 15.557 4.232 1.00 0.00 C ATOM 408 O ARG A 24 9.903 16.716 4.546 1.00 0.00 O ATOM 409 CB ARG A 24 12.067 13.974 4.850 1.00 0.00 C ATOM 410 CG ARG A 24 12.698 13.089 5.936 1.00 0.00 C ATOM 411 CD ARG A 24 14.073 12.590 5.481 1.00 0.00 C ATOM 412 NE ARG A 24 14.621 11.592 6.417 1.00 0.00 N ATOM 413 CZ ARG A 24 15.831 11.064 6.390 1.00 0.00 C ATOM 414 NH1 ARG A 24 16.725 11.417 5.506 1.00 0.00 N ATOM 415 NH2 ARG A 24 16.172 10.162 7.264 1.00 0.00 N ATOM 0 H ARG A 24 9.841 12.718 5.028 1.00 0.00 H new ATOM 0 HA ARG A 24 10.916 15.181 6.195 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.905 13.379 3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.764 14.769 4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.797 13.654 6.863 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.047 12.241 6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.992 12.152 4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.760 13.433 5.403 1.00 0.00 H new ATOM 0 HE ARG A 24 14.001 11.276 7.163 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.498 12.123 4.805 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.650 10.987 5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.504 9.861 7.973 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.108 9.756 7.240 1.00 0.00 H new ATOM 429 N VAL A 25 10.004 15.072 2.996 1.00 0.00 N ATOM 430 CA VAL A 25 9.500 15.823 1.829 1.00 0.00 C ATOM 431 C VAL A 25 8.781 14.883 0.844 1.00 0.00 C ATOM 432 O VAL A 25 7.565 14.970 0.692 1.00 0.00 O ATOM 433 CB VAL A 25 10.633 16.586 1.103 1.00 0.00 C ATOM 434 CG1 VAL A 25 10.071 17.394 -0.071 1.00 0.00 C ATOM 435 CG2 VAL A 25 11.414 17.570 1.983 1.00 0.00 C ATOM 0 H VAL A 25 10.218 14.101 2.767 1.00 0.00 H new ATOM 0 HA VAL A 25 8.787 16.558 2.203 1.00 0.00 H new ATOM 0 HB VAL A 25 11.318 15.801 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.883 17.924 -0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.589 16.720 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.341 18.114 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.186 18.057 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.733 18.323 2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.878 17.030 2.808 1.00 0.00 H new ATOM 445 N GLY A 26 9.522 13.992 0.167 1.00 0.00 N ATOM 446 CA GLY A 26 9.015 12.974 -0.772 1.00 0.00 C ATOM 447 C GLY A 26 8.377 13.465 -2.090 1.00 0.00 C ATOM 448 O GLY A 26 8.034 12.637 -2.928 1.00 0.00 O ATOM 0 H GLY A 26 10.537 13.958 0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.842 12.312 -1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.275 12.372 -0.245 1.00 0.00 H new ATOM 452 N ASP A 27 8.240 14.784 -2.277 1.00 0.00 N ATOM 453 CA ASP A 27 7.298 15.488 -3.177 1.00 0.00 C ATOM 454 C ASP A 27 5.836 15.384 -2.673 1.00 0.00 C ATOM 455 O ASP A 27 5.403 14.296 -2.279 1.00 0.00 O ATOM 456 CB ASP A 27 7.424 15.026 -4.644 1.00 0.00 C ATOM 457 CG ASP A 27 6.661 15.945 -5.611 1.00 0.00 C ATOM 458 OD1 ASP A 27 5.414 15.840 -5.681 1.00 0.00 O ATOM 459 OD2 ASP A 27 7.307 16.785 -6.282 1.00 0.00 O ATOM 0 H ASP A 27 8.827 15.444 -1.767 1.00 0.00 H new ATOM 0 HA ASP A 27 7.580 16.541 -3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.477 15.000 -4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.044 14.009 -4.736 1.00 0.00 H new ATOM 464 N PRO A 28 5.032 16.470 -2.681 1.00 0.00 N ATOM 465 CA PRO A 28 3.665 16.451 -2.151 1.00 0.00 C ATOM 466 C PRO A 28 2.695 15.458 -2.826 1.00 0.00 C ATOM 467 O PRO A 28 1.689 15.103 -2.207 1.00 0.00 O ATOM 468 CB PRO A 28 3.161 17.899 -2.222 1.00 0.00 C ATOM 469 CG PRO A 28 4.072 18.563 -3.250 1.00 0.00 C ATOM 470 CD PRO A 28 5.396 17.829 -3.056 1.00 0.00 C ATOM 0 HA PRO A 28 3.695 16.072 -1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.116 17.942 -2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.229 18.392 -1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.690 18.446 -4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.173 19.633 -3.069 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.989 17.839 -3.971 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.998 18.303 -2.281 1.00 0.00 H new ATOM 478 N VAL A 29 2.970 14.949 -4.036 1.00 0.00 N ATOM 479 CA VAL A 29 2.179 13.847 -4.635 1.00 0.00 C ATOM 480 C VAL A 29 2.310 12.529 -3.871 1.00 0.00 C ATOM 481 O VAL A 29 1.382 11.723 -3.872 1.00 0.00 O ATOM 482 CB VAL A 29 2.515 13.672 -6.132 1.00 0.00 C ATOM 483 CG1 VAL A 29 3.825 12.911 -6.388 1.00 0.00 C ATOM 484 CG2 VAL A 29 1.387 12.960 -6.884 1.00 0.00 C ATOM 0 H VAL A 29 3.734 15.279 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 29 1.132 14.138 -4.553 1.00 0.00 H new ATOM 0 HB VAL A 29 2.637 14.688 -6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.994 12.828 -7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.655 13.451 -5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.758 11.914 -5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.659 12.855 -7.934 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.227 11.973 -6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.471 13.545 -6.804 1.00 0.00 H new ATOM 494 N LEU A 30 3.406 12.312 -3.142 1.00 0.00 N ATOM 495 CA LEU A 30 3.583 11.150 -2.283 1.00 0.00 C ATOM 496 C LEU A 30 2.482 11.069 -1.202 1.00 0.00 C ATOM 497 O LEU A 30 1.867 10.017 -1.010 1.00 0.00 O ATOM 498 CB LEU A 30 5.009 11.232 -1.718 1.00 0.00 C ATOM 499 CG LEU A 30 5.598 9.858 -1.423 1.00 0.00 C ATOM 500 CD1 LEU A 30 7.029 9.971 -0.911 1.00 0.00 C ATOM 501 CD2 LEU A 30 4.769 9.126 -0.383 1.00 0.00 C ATOM 0 H LEU A 30 4.203 12.949 -3.135 1.00 0.00 H new ATOM 0 HA LEU A 30 3.473 10.219 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.649 11.753 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.001 11.825 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 30 5.591 9.300 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.423 8.975 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.647 10.460 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.042 10.559 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.209 8.148 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.750 9.705 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.751 8.999 -0.752 1.00 0.00 H new ATOM 513 N ALA A 31 2.123 12.209 -0.603 1.00 0.00 N ATOM 514 CA ALA A 31 0.993 12.345 0.322 1.00 0.00 C ATOM 515 C ALA A 31 -0.399 12.078 -0.310 1.00 0.00 C ATOM 516 O ALA A 31 -1.409 12.135 0.397 1.00 0.00 O ATOM 517 CB ALA A 31 1.066 13.735 0.970 1.00 0.00 C ATOM 0 H ALA A 31 2.623 13.085 -0.752 1.00 0.00 H new ATOM 0 HA ALA A 31 1.089 11.562 1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.233 13.858 1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.007 13.835 1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.010 14.501 0.196 1.00 0.00 H new ATOM 523 N LYS A 32 -0.468 11.750 -1.612 1.00 0.00 N ATOM 524 CA LYS A 32 -1.677 11.318 -2.328 1.00 0.00 C ATOM 525 C LYS A 32 -1.517 9.889 -2.846 1.00 0.00 C ATOM 526 O LYS A 32 -2.475 9.117 -2.862 1.00 0.00 O ATOM 527 CB LYS A 32 -1.974 12.317 -3.464 1.00 0.00 C ATOM 528 CG LYS A 32 -3.185 11.952 -4.338 1.00 0.00 C ATOM 529 CD LYS A 32 -4.458 11.762 -3.501 1.00 0.00 C ATOM 530 CE LYS A 32 -5.689 11.420 -4.352 1.00 0.00 C ATOM 531 NZ LYS A 32 -6.157 12.568 -5.175 1.00 0.00 N ATOM 0 H LYS A 32 0.352 11.781 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.527 11.310 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.141 13.302 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.093 12.395 -4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.350 12.737 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.972 11.036 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.293 10.967 -2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.655 12.674 -2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.451 10.582 -5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.498 11.094 -3.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.989 12.282 -5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.412 13.361 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.397 12.865 -5.820 1.00 0.00 H new ATOM 545 N ILE A 33 -0.291 9.494 -3.179 1.00 0.00 N ATOM 546 CA ILE A 33 0.019 8.118 -3.550 1.00 0.00 C ATOM 547 C ILE A 33 -0.269 7.152 -2.393 1.00 0.00 C ATOM 548 O ILE A 33 -0.906 6.121 -2.594 1.00 0.00 O ATOM 549 CB ILE A 33 1.476 7.996 -4.030 1.00 0.00 C ATOM 550 CG1 ILE A 33 1.578 8.676 -5.404 1.00 0.00 C ATOM 551 CG2 ILE A 33 1.946 6.534 -4.131 1.00 0.00 C ATOM 552 CD1 ILE A 33 3.022 8.892 -5.843 1.00 0.00 C ATOM 0 H ILE A 33 0.515 10.119 -3.199 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.631 7.839 -4.379 1.00 0.00 H new ATOM 0 HB ILE A 33 2.125 8.479 -3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.063 8.066 -6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.065 9.637 -5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.980 6.507 -4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.876 6.061 -3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.315 5.997 -4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.037 9.375 -6.820 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.532 9.525 -5.117 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.531 7.930 -5.906 1.00 0.00 H new ATOM 564 N LEU A 34 0.154 7.487 -1.168 1.00 0.00 N ATOM 565 CA LEU A 34 -0.098 6.637 0.003 1.00 0.00 C ATOM 566 C LEU A 34 -1.598 6.530 0.362 1.00 0.00 C ATOM 567 O LEU A 34 -2.020 5.536 0.948 1.00 0.00 O ATOM 568 CB LEU A 34 0.826 7.051 1.166 1.00 0.00 C ATOM 569 CG LEU A 34 0.454 8.350 1.906 1.00 0.00 C ATOM 570 CD1 LEU A 34 -0.500 8.094 3.078 1.00 0.00 C ATOM 571 CD2 LEU A 34 1.713 8.998 2.488 1.00 0.00 C ATOM 0 H LEU A 34 0.672 8.341 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 34 0.165 5.609 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.847 6.238 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.839 7.157 0.777 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.032 8.996 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.734 9.038 3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.419 7.640 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.026 7.421 3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.442 9.916 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.186 8.309 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.408 9.231 1.682 1.00 0.00 H new ATOM 583 N GLU A 35 -2.419 7.509 -0.033 1.00 0.00 N ATOM 584 CA GLU A 35 -3.881 7.464 0.030 1.00 0.00 C ATOM 585 C GLU A 35 -4.490 6.468 -0.968 1.00 0.00 C ATOM 586 O GLU A 35 -5.355 5.677 -0.593 1.00 0.00 O ATOM 587 CB GLU A 35 -4.393 8.883 -0.257 1.00 0.00 C ATOM 588 CG GLU A 35 -4.888 9.597 0.998 1.00 0.00 C ATOM 589 CD GLU A 35 -6.417 9.498 1.171 1.00 0.00 C ATOM 590 OE1 GLU A 35 -6.993 8.403 0.966 1.00 0.00 O ATOM 591 OE2 GLU A 35 -7.058 10.522 1.517 1.00 0.00 O ATOM 0 H GLU A 35 -2.069 8.386 -0.419 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.183 7.120 1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.593 9.468 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.203 8.832 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.398 9.169 1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.598 10.647 0.953 1.00 0.00 H new ATOM 598 N ASP A 36 -4.012 6.437 -2.218 1.00 0.00 N ATOM 599 CA ASP A 36 -4.393 5.407 -3.182 1.00 0.00 C ATOM 600 C ASP A 36 -4.030 4.003 -2.660 1.00 0.00 C ATOM 601 O ASP A 36 -4.863 3.096 -2.670 1.00 0.00 O ATOM 602 CB ASP A 36 -3.662 5.663 -4.507 1.00 0.00 C ATOM 603 CG ASP A 36 -4.175 6.807 -5.393 1.00 0.00 C ATOM 604 OD1 ASP A 36 -5.263 7.378 -5.151 1.00 0.00 O ATOM 605 OD2 ASP A 36 -3.466 7.095 -6.391 1.00 0.00 O ATOM 0 H ASP A 36 -3.353 7.124 -2.585 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.472 5.451 -3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.614 5.858 -4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.696 4.744 -5.092 1.00 0.00 H new ATOM 610 N GLU A 37 -2.808 3.829 -2.140 1.00 0.00 N ATOM 611 CA GLU A 37 -2.357 2.558 -1.554 1.00 0.00 C ATOM 612 C GLU A 37 -3.085 2.169 -0.244 1.00 0.00 C ATOM 613 O GLU A 37 -2.979 1.021 0.189 1.00 0.00 O ATOM 614 CB GLU A 37 -0.833 2.557 -1.329 1.00 0.00 C ATOM 615 CG GLU A 37 0.057 2.773 -2.565 1.00 0.00 C ATOM 616 CD GLU A 37 -0.027 1.712 -3.666 1.00 0.00 C ATOM 617 OE1 GLU A 37 -0.916 0.825 -3.677 1.00 0.00 O ATOM 618 OE2 GLU A 37 0.748 1.797 -4.652 1.00 0.00 O ATOM 0 H GLU A 37 -2.103 4.566 -2.113 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.620 1.798 -2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.598 3.335 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.558 1.604 -0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.197 3.738 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.093 2.836 -2.232 1.00 0.00 H new ATOM 625 N GLU A 38 -3.849 3.071 0.385 1.00 0.00 N ATOM 626 CA GLU A 38 -4.684 2.747 1.554 1.00 0.00 C ATOM 627 C GLU A 38 -5.912 1.915 1.155 1.00 0.00 C ATOM 628 O GLU A 38 -6.148 0.831 1.695 1.00 0.00 O ATOM 629 CB GLU A 38 -5.132 4.045 2.244 1.00 0.00 C ATOM 630 CG GLU A 38 -5.684 3.796 3.651 1.00 0.00 C ATOM 631 CD GLU A 38 -6.162 5.113 4.291 1.00 0.00 C ATOM 632 OE1 GLU A 38 -7.243 5.622 3.903 1.00 0.00 O ATOM 633 OE2 GLU A 38 -5.466 5.641 5.194 1.00 0.00 O ATOM 0 H GLU A 38 -3.907 4.048 0.099 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.086 2.151 2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.288 4.732 2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.896 4.531 1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.512 3.089 3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.913 3.342 4.274 1.00 0.00 H new ATOM 640 N LYS A 39 -6.676 2.384 0.159 1.00 0.00 N ATOM 641 CA LYS A 39 -7.869 1.672 -0.354 1.00 0.00 C ATOM 642 C LYS A 39 -7.500 0.288 -0.900 1.00 0.00 C ATOM 643 O LYS A 39 -8.224 -0.686 -0.700 1.00 0.00 O ATOM 644 CB LYS A 39 -8.584 2.512 -1.428 1.00 0.00 C ATOM 645 CG LYS A 39 -9.515 3.605 -0.867 1.00 0.00 C ATOM 646 CD LYS A 39 -8.794 4.695 -0.057 1.00 0.00 C ATOM 647 CE LYS A 39 -9.764 5.805 0.361 1.00 0.00 C ATOM 648 NZ LYS A 39 -9.144 6.723 1.351 1.00 0.00 N ATOM 0 H LYS A 39 -6.490 3.266 -0.318 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.555 1.526 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.833 2.982 -2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.168 1.846 -2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.045 4.075 -1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.267 3.135 -0.233 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.339 4.253 0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.985 5.120 -0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.073 6.371 -0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.664 5.362 0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.856 7.401 1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.780 6.172 2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.361 7.239 0.903 1.00 0.00 H new ATOM 662 N HIS A 40 -6.310 0.193 -1.493 1.00 0.00 N ATOM 663 CA HIS A 40 -5.672 -1.019 -2.011 1.00 0.00 C ATOM 664 C HIS A 40 -5.355 -2.117 -0.979 1.00 0.00 C ATOM 665 O HIS A 40 -4.911 -3.184 -1.390 1.00 0.00 O ATOM 666 CB HIS A 40 -4.358 -0.606 -2.675 1.00 0.00 C ATOM 667 CG HIS A 40 -4.446 0.106 -4.003 1.00 0.00 C ATOM 668 ND1 HIS A 40 -3.361 0.291 -4.872 1.00 0.00 N ATOM 669 CD2 HIS A 40 -5.550 0.705 -4.536 1.00 0.00 C ATOM 670 CE1 HIS A 40 -3.849 1.015 -5.901 1.00 0.00 C ATOM 671 NE2 HIS A 40 -5.156 1.271 -5.723 1.00 0.00 N ATOM 0 H HIS A 40 -5.726 1.017 -1.634 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.399 -1.463 -2.692 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.818 0.039 -1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -3.753 -1.503 -2.813 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -6.541 0.729 -4.107 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.269 1.343 -6.751 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -5.754 1.796 -6.361 1.00 0.00 H new ATOM 679 N ILE A 41 -5.568 -1.892 0.323 1.00 0.00 N ATOM 680 CA ILE A 41 -5.380 -2.880 1.405 1.00 0.00 C ATOM 681 C ILE A 41 -6.726 -3.225 2.074 1.00 0.00 C ATOM 682 O ILE A 41 -6.942 -4.367 2.480 1.00 0.00 O ATOM 683 CB ILE A 41 -4.316 -2.385 2.430 1.00 0.00 C ATOM 684 CG1 ILE A 41 -3.407 -3.539 2.910 1.00 0.00 C ATOM 685 CG2 ILE A 41 -4.899 -1.692 3.676 1.00 0.00 C ATOM 686 CD1 ILE A 41 -2.225 -3.757 1.962 1.00 0.00 C ATOM 0 H ILE A 41 -5.887 -0.987 0.670 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.996 -3.803 0.970 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.745 -1.643 1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.036 -3.318 3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.991 -4.457 2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.087 -1.381 4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.474 -0.818 3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.550 -2.386 4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.608 -4.576 2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.597 -4.003 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.627 -2.847 1.911 1.00 0.00 H new ATOM 698 N GLU A 42 -7.668 -2.274 2.126 1.00 0.00 N ATOM 699 CA GLU A 42 -9.043 -2.513 2.587 1.00 0.00 C ATOM 700 C GLU A 42 -9.806 -3.413 1.608 1.00 0.00 C ATOM 701 O GLU A 42 -10.359 -4.440 2.010 1.00 0.00 O ATOM 702 CB GLU A 42 -9.797 -1.183 2.756 1.00 0.00 C ATOM 703 CG GLU A 42 -9.246 -0.329 3.902 1.00 0.00 C ATOM 704 CD GLU A 42 -10.151 0.896 4.146 1.00 0.00 C ATOM 705 OE1 GLU A 42 -9.971 1.936 3.469 1.00 0.00 O ATOM 706 OE2 GLU A 42 -11.053 0.823 5.017 1.00 0.00 O ATOM 0 H GLU A 42 -7.496 -1.308 1.847 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.983 -3.017 3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.738 -0.617 1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.852 -1.389 2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.181 -0.927 4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.234 0.000 3.664 1.00 0.00 H new ATOM 713 N TRP A 43 -9.776 -3.082 0.310 1.00 0.00 N ATOM 714 CA TRP A 43 -10.317 -3.939 -0.751 1.00 0.00 C ATOM 715 C TRP A 43 -9.610 -5.296 -0.805 1.00 0.00 C ATOM 716 O TRP A 43 -10.247 -6.311 -1.071 1.00 0.00 O ATOM 717 CB TRP A 43 -10.188 -3.231 -2.109 1.00 0.00 C ATOM 718 CG TRP A 43 -10.948 -1.948 -2.276 1.00 0.00 C ATOM 719 CD1 TRP A 43 -12.143 -1.657 -1.712 1.00 0.00 C ATOM 720 CD2 TRP A 43 -10.607 -0.790 -3.105 1.00 0.00 C ATOM 721 NE1 TRP A 43 -12.562 -0.410 -2.127 1.00 0.00 N ATOM 722 CE2 TRP A 43 -11.666 0.164 -3.002 1.00 0.00 C ATOM 723 CE3 TRP A 43 -9.531 -0.460 -3.959 1.00 0.00 C ATOM 724 CZ2 TRP A 43 -11.661 1.374 -3.711 1.00 0.00 C ATOM 725 CZ3 TRP A 43 -9.519 0.748 -4.685 1.00 0.00 C ATOM 726 CH2 TRP A 43 -10.581 1.664 -4.564 1.00 0.00 C ATOM 0 H TRP A 43 -9.374 -2.210 -0.034 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.368 -4.121 -0.526 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.132 -3.026 -2.287 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.514 -3.923 -2.886 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.687 -2.303 -1.039 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.429 0.033 -1.823 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.703 -1.146 -4.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.476 2.074 -3.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.689 0.972 -5.339 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -10.567 2.587 -5.125 1.00 0.00 H new ATOM 737 N LEU A 44 -8.308 -5.323 -0.512 1.00 0.00 N ATOM 738 CA LEU A 44 -7.480 -6.534 -0.517 1.00 0.00 C ATOM 739 C LEU A 44 -8.034 -7.611 0.428 1.00 0.00 C ATOM 740 O LEU A 44 -8.380 -8.719 0.014 1.00 0.00 O ATOM 741 CB LEU A 44 -6.065 -6.099 -0.103 1.00 0.00 C ATOM 742 CG LEU A 44 -4.913 -6.835 -0.768 1.00 0.00 C ATOM 743 CD1 LEU A 44 -3.598 -6.233 -0.313 1.00 0.00 C ATOM 744 CD2 LEU A 44 -4.925 -8.332 -0.490 1.00 0.00 C ATOM 0 H LEU A 44 -7.786 -4.484 -0.258 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.475 -6.989 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.959 -5.035 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.972 -6.221 0.976 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.032 -6.716 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.772 -6.761 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.564 -5.180 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.511 -6.325 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.079 -8.802 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.851 -8.503 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.853 -8.764 -0.863 1.00 0.00 H new ATOM 756 N GLU A 45 -8.158 -7.255 1.704 1.00 0.00 N ATOM 757 CA GLU A 45 -8.640 -8.149 2.761 1.00 0.00 C ATOM 758 C GLU A 45 -10.127 -8.498 2.598 1.00 0.00 C ATOM 759 O GLU A 45 -10.519 -9.654 2.763 1.00 0.00 O ATOM 760 CB GLU A 45 -8.371 -7.488 4.117 1.00 0.00 C ATOM 761 CG GLU A 45 -8.374 -8.515 5.256 1.00 0.00 C ATOM 762 CD GLU A 45 -7.819 -7.899 6.552 1.00 0.00 C ATOM 763 OE1 GLU A 45 -6.575 -7.872 6.721 1.00 0.00 O ATOM 764 OE2 GLU A 45 -8.618 -7.448 7.410 1.00 0.00 O ATOM 0 H GLU A 45 -7.923 -6.322 2.041 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.102 -9.094 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.408 -6.978 4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.129 -6.729 4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.389 -8.874 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.773 -9.379 4.973 1.00 0.00 H new ATOM 771 N THR A 46 -10.942 -7.525 2.180 1.00 0.00 N ATOM 772 CA THR A 46 -12.384 -7.698 1.886 1.00 0.00 C ATOM 773 C THR A 46 -12.679 -8.776 0.824 1.00 0.00 C ATOM 774 O THR A 46 -13.760 -9.367 0.821 1.00 0.00 O ATOM 775 CB THR A 46 -13.013 -6.358 1.456 1.00 0.00 C ATOM 776 OG1 THR A 46 -12.876 -5.402 2.486 1.00 0.00 O ATOM 777 CG2 THR A 46 -14.514 -6.423 1.155 1.00 0.00 C ATOM 0 H THR A 46 -10.618 -6.569 2.030 1.00 0.00 H new ATOM 0 HA THR A 46 -12.836 -8.045 2.816 1.00 0.00 H new ATOM 0 HB THR A 46 -12.479 -6.094 0.543 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.950 -5.082 2.514 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.869 -5.435 0.861 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.692 -7.129 0.344 1.00 0.00 H new ATOM 0 HG23 THR A 46 -15.050 -6.751 2.046 1.00 0.00 H new ATOM 785 N ILE A 47 -11.717 -9.095 -0.048 1.00 0.00 N ATOM 786 CA ILE A 47 -11.832 -9.982 -1.204 1.00 0.00 C ATOM 787 C ILE A 47 -11.167 -11.336 -0.905 1.00 0.00 C ATOM 788 O ILE A 47 -11.378 -12.329 -1.602 1.00 0.00 O ATOM 789 CB ILE A 47 -11.261 -9.224 -2.433 1.00 0.00 C ATOM 790 CG1 ILE A 47 -12.144 -8.026 -2.861 1.00 0.00 C ATOM 791 CG2 ILE A 47 -11.005 -10.119 -3.646 1.00 0.00 C ATOM 792 CD1 ILE A 47 -13.530 -8.394 -3.384 1.00 0.00 C ATOM 0 H ILE A 47 -10.776 -8.713 0.044 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.867 -10.235 -1.432 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.298 -8.849 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.261 -7.358 -2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.618 -7.466 -3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.607 -9.518 -4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.285 -10.894 -3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.940 -10.584 -3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -14.069 -7.487 -3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.430 -9.034 -4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -14.082 -8.925 -2.609 1.00 0.00 H new ATOM 804 N ASN A 48 -10.452 -11.391 0.218 1.00 0.00 N ATOM 805 CA ASN A 48 -9.836 -12.580 0.803 1.00 0.00 C ATOM 806 C ASN A 48 -10.773 -13.318 1.793 1.00 0.00 C ATOM 807 O ASN A 48 -10.443 -14.410 2.261 1.00 0.00 O ATOM 808 CB ASN A 48 -8.511 -12.134 1.457 1.00 0.00 C ATOM 809 CG ASN A 48 -7.504 -13.259 1.646 1.00 0.00 C ATOM 810 OD1 ASN A 48 -7.545 -14.306 1.014 1.00 0.00 O ATOM 811 ND2 ASN A 48 -6.529 -13.063 2.505 1.00 0.00 N ATOM 0 H ASN A 48 -10.277 -10.556 0.777 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.639 -13.317 0.024 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.059 -11.355 0.843 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.729 -11.688 2.428 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.816 -13.780 2.640 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.485 -12.194 3.037 1.00 0.00 H new ATOM 818 N GLY A 49 -11.949 -12.742 2.090 1.00 0.00 N ATOM 819 CA GLY A 49 -13.017 -13.321 2.926 1.00 0.00 C ATOM 820 C GLY A 49 -12.713 -13.299 4.427 1.00 0.00 C ATOM 821 O GLY A 49 -12.659 -12.193 5.008 1.00 0.00 O ATOM 822 OXT GLY A 49 -12.569 -14.391 5.022 1.00 0.00 O ATOM 0 H GLY A 49 -12.194 -11.817 1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.943 -12.775 2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.189 -14.352 2.615 1.00 0.00 H new TER 826 GLY A 49 ATOM 827 N MET B 1 21.217 5.907 -6.210 1.00 0.00 N ATOM 828 CA MET B 1 20.783 5.597 -4.821 1.00 0.00 C ATOM 829 C MET B 1 19.742 6.618 -4.353 1.00 0.00 C ATOM 830 O MET B 1 20.088 7.749 -4.019 1.00 0.00 O ATOM 831 CB MET B 1 21.969 5.549 -3.832 1.00 0.00 C ATOM 832 CG MET B 1 22.822 4.280 -3.977 1.00 0.00 C ATOM 833 SD MET B 1 24.231 4.173 -2.833 1.00 0.00 S ATOM 834 CE MET B 1 25.368 5.376 -3.582 1.00 0.00 C ATOM 0 H1 MET B 1 21.923 5.208 -6.517 1.00 0.00 H new ATOM 0 H2 MET B 1 20.395 5.872 -6.846 1.00 0.00 H new ATOM 0 H3 MET B 1 21.636 6.858 -6.239 1.00 0.00 H new ATOM 0 HA MET B 1 20.336 4.603 -4.835 1.00 0.00 H new ATOM 0 HB2 MET B 1 22.600 6.424 -3.988 1.00 0.00 H new ATOM 0 HB3 MET B 1 21.587 5.609 -2.813 1.00 0.00 H new ATOM 0 HG2 MET B 1 22.183 3.410 -3.826 1.00 0.00 H new ATOM 0 HG3 MET B 1 23.197 4.226 -4.999 1.00 0.00 H new ATOM 0 HE1 MET B 1 26.291 5.413 -3.004 1.00 0.00 H new ATOM 0 HE2 MET B 1 25.593 5.076 -4.605 1.00 0.00 H new ATOM 0 HE3 MET B 1 24.903 6.362 -3.587 1.00 0.00 H new ATOM 846 N ASP B 2 18.464 6.224 -4.318 1.00 0.00 N ATOM 847 CA ASP B 2 17.344 7.015 -3.776 1.00 0.00 C ATOM 848 C ASP B 2 16.229 6.093 -3.251 1.00 0.00 C ATOM 849 O ASP B 2 16.023 4.993 -3.772 1.00 0.00 O ATOM 850 CB ASP B 2 16.754 7.936 -4.863 1.00 0.00 C ATOM 851 CG ASP B 2 17.501 9.272 -4.991 1.00 0.00 C ATOM 852 OD1 ASP B 2 17.472 10.071 -4.024 1.00 0.00 O ATOM 853 OD2 ASP B 2 18.076 9.548 -6.073 1.00 0.00 O ATOM 0 H ASP B 2 18.167 5.317 -4.677 1.00 0.00 H new ATOM 0 HA ASP B 2 17.733 7.618 -2.956 1.00 0.00 H new ATOM 0 HB2 ASP B 2 16.780 7.419 -5.822 1.00 0.00 H new ATOM 0 HB3 ASP B 2 15.706 8.133 -4.635 1.00 0.00 H new ATOM 858 N TYR B 3 15.462 6.574 -2.266 1.00 0.00 N ATOM 859 CA TYR B 3 14.291 5.887 -1.691 1.00 0.00 C ATOM 860 C TYR B 3 13.279 5.429 -2.756 1.00 0.00 C ATOM 861 O TYR B 3 12.672 4.363 -2.646 1.00 0.00 O ATOM 862 CB TYR B 3 13.612 6.817 -0.664 1.00 0.00 C ATOM 863 CG TYR B 3 13.052 8.113 -1.239 1.00 0.00 C ATOM 864 CD1 TYR B 3 13.873 9.254 -1.351 1.00 0.00 C ATOM 865 CD2 TYR B 3 11.714 8.171 -1.682 1.00 0.00 C ATOM 866 CE1 TYR B 3 13.369 10.439 -1.925 1.00 0.00 C ATOM 867 CE2 TYR B 3 11.208 9.354 -2.257 1.00 0.00 C ATOM 868 CZ TYR B 3 12.033 10.492 -2.381 1.00 0.00 C ATOM 869 OH TYR B 3 11.537 11.634 -2.930 1.00 0.00 O ATOM 0 H TYR B 3 15.641 7.479 -1.831 1.00 0.00 H new ATOM 0 HA TYR B 3 14.648 4.981 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR B 3 12.801 6.271 -0.182 1.00 0.00 H new ATOM 0 HB3 TYR B 3 14.335 7.065 0.113 1.00 0.00 H new ATOM 0 HD1 TYR B 3 14.892 9.220 -0.996 1.00 0.00 H new ATOM 0 HD2 TYR B 3 11.075 7.306 -1.580 1.00 0.00 H new ATOM 0 HE1 TYR B 3 14.005 11.307 -2.016 1.00 0.00 H new ATOM 0 HE2 TYR B 3 10.186 9.390 -2.604 1.00 0.00 H new ATOM 0 HH TYR B 3 10.603 11.493 -3.190 1.00 0.00 H new ATOM 879 N LEU B 4 13.121 6.217 -3.822 1.00 0.00 N ATOM 880 CA LEU B 4 12.195 5.960 -4.908 1.00 0.00 C ATOM 881 C LEU B 4 12.570 4.803 -5.832 1.00 0.00 C ATOM 882 O LEU B 4 11.700 4.336 -6.557 1.00 0.00 O ATOM 883 CB LEU B 4 11.975 7.288 -5.647 1.00 0.00 C ATOM 884 CG LEU B 4 13.155 7.681 -6.553 1.00 0.00 C ATOM 885 CD1 LEU B 4 12.909 7.321 -8.020 1.00 0.00 C ATOM 886 CD2 LEU B 4 13.430 9.180 -6.465 1.00 0.00 C ATOM 0 H LEU B 4 13.655 7.077 -3.949 1.00 0.00 H new ATOM 0 HA LEU B 4 11.259 5.600 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU B 4 11.071 7.215 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU B 4 11.807 8.079 -4.916 1.00 0.00 H new ATOM 0 HG LEU B 4 14.015 7.116 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU B 4 13.771 7.619 -8.617 1.00 0.00 H new ATOM 0 HD12 LEU B 4 12.759 6.245 -8.110 1.00 0.00 H new ATOM 0 HD13 LEU B 4 12.021 7.842 -8.379 1.00 0.00 H new ATOM 0 HD21 LEU B 4 14.268 9.435 -7.114 1.00 0.00 H new ATOM 0 HD22 LEU B 4 12.545 9.732 -6.782 1.00 0.00 H new ATOM 0 HD23 LEU B 4 13.674 9.445 -5.436 1.00 0.00 H new ATOM 898 N ARG B 5 13.806 4.292 -5.804 1.00 0.00 N ATOM 899 CA ARG B 5 14.161 3.097 -6.584 1.00 0.00 C ATOM 900 C ARG B 5 13.467 1.854 -6.032 1.00 0.00 C ATOM 901 O ARG B 5 12.968 1.047 -6.811 1.00 0.00 O ATOM 902 CB ARG B 5 15.692 2.944 -6.600 1.00 0.00 C ATOM 903 CG ARG B 5 16.142 1.974 -7.700 1.00 0.00 C ATOM 904 CD ARG B 5 17.621 1.587 -7.585 1.00 0.00 C ATOM 905 NE ARG B 5 17.868 0.709 -6.419 1.00 0.00 N ATOM 906 CZ ARG B 5 19.012 0.139 -6.086 1.00 0.00 C ATOM 907 NH1 ARG B 5 20.102 0.308 -6.780 1.00 0.00 N ATOM 908 NH2 ARG B 5 19.083 -0.628 -5.035 1.00 0.00 N ATOM 0 H ARG B 5 14.572 4.682 -5.255 1.00 0.00 H new ATOM 0 HA ARG B 5 13.813 3.214 -7.610 1.00 0.00 H new ATOM 0 HB2 ARG B 5 16.156 3.918 -6.758 1.00 0.00 H new ATOM 0 HB3 ARG B 5 16.034 2.582 -5.630 1.00 0.00 H new ATOM 0 HG2 ARG B 5 15.531 1.072 -7.655 1.00 0.00 H new ATOM 0 HG3 ARG B 5 15.966 2.430 -8.674 1.00 0.00 H new ATOM 0 HD2 ARG B 5 17.936 1.079 -8.496 1.00 0.00 H new ATOM 0 HD3 ARG B 5 18.227 2.489 -7.497 1.00 0.00 H new ATOM 0 HE ARG B 5 17.071 0.525 -5.809 1.00 0.00 H new ATOM 0 HH11 ARG B 5 20.090 0.898 -7.612 1.00 0.00 H new ATOM 0 HH12 ARG B 5 20.967 -0.149 -6.491 1.00 0.00 H new ATOM 0 HH21 ARG B 5 18.253 -0.791 -4.465 1.00 0.00 H new ATOM 0 HH22 ARG B 5 19.969 -1.066 -4.782 1.00 0.00 H new ATOM 922 N GLU B 6 13.354 1.728 -4.710 1.00 0.00 N ATOM 923 CA GLU B 6 12.513 0.735 -4.074 1.00 0.00 C ATOM 924 C GLU B 6 11.034 0.955 -4.417 1.00 0.00 C ATOM 925 O GLU B 6 10.369 -0.005 -4.789 1.00 0.00 O ATOM 926 CB GLU B 6 12.766 0.806 -2.565 1.00 0.00 C ATOM 927 CG GLU B 6 13.949 -0.075 -2.150 1.00 0.00 C ATOM 928 CD GLU B 6 14.075 -0.164 -0.616 1.00 0.00 C ATOM 929 OE1 GLU B 6 13.395 -1.019 0.003 1.00 0.00 O ATOM 930 OE2 GLU B 6 14.874 0.601 -0.022 1.00 0.00 O ATOM 0 H GLU B 6 13.853 2.324 -4.049 1.00 0.00 H new ATOM 0 HA GLU B 6 12.761 -0.261 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU B 6 12.962 1.839 -2.276 1.00 0.00 H new ATOM 0 HB3 GLU B 6 11.871 0.490 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU B 6 13.822 -1.075 -2.565 1.00 0.00 H new ATOM 0 HG3 GLU B 6 14.870 0.330 -2.569 1.00 0.00 H new ATOM 937 N LEU B 7 10.525 2.195 -4.393 1.00 0.00 N ATOM 938 CA LEU B 7 9.148 2.489 -4.826 1.00 0.00 C ATOM 939 C LEU B 7 8.886 2.028 -6.264 1.00 0.00 C ATOM 940 O LEU B 7 7.957 1.261 -6.493 1.00 0.00 O ATOM 941 CB LEU B 7 8.814 3.979 -4.657 1.00 0.00 C ATOM 942 CG LEU B 7 8.769 4.486 -3.208 1.00 0.00 C ATOM 943 CD1 LEU B 7 8.688 6.013 -3.155 1.00 0.00 C ATOM 944 CD2 LEU B 7 7.538 3.931 -2.497 1.00 0.00 C ATOM 0 H LEU B 7 11.046 3.013 -4.078 1.00 0.00 H new ATOM 0 HA LEU B 7 8.484 1.918 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU B 7 9.553 4.564 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.847 4.172 -5.121 1.00 0.00 H new ATOM 0 HG LEU B 7 9.684 4.151 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU B 7 8.658 6.340 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU B 7 9.563 6.441 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU B 7 7.786 6.347 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU B 7 7.515 4.296 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.638 4.258 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.580 2.842 -2.494 1.00 0.00 H new ATOM 956 N TYR B 8 9.728 2.416 -7.223 1.00 0.00 N ATOM 957 CA TYR B 8 9.686 1.932 -8.606 1.00 0.00 C ATOM 958 C TYR B 8 9.655 0.408 -8.697 1.00 0.00 C ATOM 959 O TYR B 8 8.752 -0.167 -9.308 1.00 0.00 O ATOM 960 CB TYR B 8 10.887 2.535 -9.356 1.00 0.00 C ATOM 961 CG TYR B 8 10.620 3.000 -10.780 1.00 0.00 C ATOM 962 CD1 TYR B 8 10.029 2.141 -11.730 1.00 0.00 C ATOM 963 CD2 TYR B 8 10.952 4.320 -11.146 1.00 0.00 C ATOM 964 CE1 TYR B 8 9.744 2.613 -13.028 1.00 0.00 C ATOM 965 CE2 TYR B 8 10.655 4.799 -12.437 1.00 0.00 C ATOM 966 CZ TYR B 8 10.045 3.948 -13.381 1.00 0.00 C ATOM 967 OH TYR B 8 9.761 4.417 -14.627 1.00 0.00 O ATOM 0 H TYR B 8 10.475 3.090 -7.057 1.00 0.00 H new ATOM 0 HA TYR B 8 8.757 2.257 -9.073 1.00 0.00 H new ATOM 0 HB2 TYR B 8 11.260 3.383 -8.782 1.00 0.00 H new ATOM 0 HB3 TYR B 8 11.684 1.792 -9.381 1.00 0.00 H new ATOM 0 HD1 TYR B 8 9.795 1.121 -11.463 1.00 0.00 H new ATOM 0 HD2 TYR B 8 11.437 4.969 -10.432 1.00 0.00 H new ATOM 0 HE1 TYR B 8 9.294 1.952 -13.754 1.00 0.00 H new ATOM 0 HE2 TYR B 8 10.895 5.818 -12.704 1.00 0.00 H new ATOM 0 HH TYR B 8 10.035 5.356 -14.693 1.00 0.00 H new ATOM 977 N LYS B 9 10.598 -0.250 -8.024 1.00 0.00 N ATOM 978 CA LYS B 9 10.753 -1.716 -8.032 1.00 0.00 C ATOM 979 C LYS B 9 9.716 -2.484 -7.198 1.00 0.00 C ATOM 980 O LYS B 9 9.684 -3.714 -7.249 1.00 0.00 O ATOM 981 CB LYS B 9 12.208 -2.077 -7.686 1.00 0.00 C ATOM 982 CG LYS B 9 13.160 -1.550 -8.780 1.00 0.00 C ATOM 983 CD LYS B 9 14.641 -1.674 -8.413 1.00 0.00 C ATOM 984 CE LYS B 9 15.109 -3.136 -8.437 1.00 0.00 C ATOM 985 NZ LYS B 9 16.590 -3.245 -8.354 1.00 0.00 N ATOM 0 H LYS B 9 11.292 0.224 -7.445 1.00 0.00 H new ATOM 0 HA LYS B 9 10.536 -2.056 -9.044 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.478 -1.648 -6.721 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.310 -3.158 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.976 -2.097 -9.705 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.929 -0.503 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS B 9 15.240 -1.088 -9.111 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.807 -1.255 -7.421 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.658 -3.675 -7.604 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.760 -3.614 -9.353 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 16.866 -4.248 -8.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 17.020 -2.752 -9.162 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 16.921 -2.812 -7.468 1.00 0.00 H new ATOM 999 N LEU B 10 8.819 -1.771 -6.517 1.00 0.00 N ATOM 1000 CA LEU B 10 7.611 -2.303 -5.872 1.00 0.00 C ATOM 1001 C LEU B 10 6.348 -1.986 -6.690 1.00 0.00 C ATOM 1002 O LEU B 10 5.477 -2.846 -6.803 1.00 0.00 O ATOM 1003 CB LEU B 10 7.488 -1.706 -4.454 1.00 0.00 C ATOM 1004 CG LEU B 10 8.555 -2.181 -3.446 1.00 0.00 C ATOM 1005 CD1 LEU B 10 8.545 -1.268 -2.218 1.00 0.00 C ATOM 1006 CD2 LEU B 10 8.308 -3.608 -2.974 1.00 0.00 C ATOM 0 H LEU B 10 8.915 -0.763 -6.392 1.00 0.00 H new ATOM 0 HA LEU B 10 7.700 -3.388 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU B 10 7.540 -0.620 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU B 10 6.503 -1.951 -4.058 1.00 0.00 H new ATOM 0 HG LEU B 10 9.516 -2.145 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU B 10 9.300 -1.606 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU B 10 8.766 -0.245 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU B 10 7.562 -1.302 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU B 10 9.085 -3.897 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU B 10 7.334 -3.667 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU B 10 8.328 -4.283 -3.830 1.00 0.00 H new ATOM 1018 N GLU B 11 6.240 -0.804 -7.305 1.00 0.00 N ATOM 1019 CA GLU B 11 5.039 -0.385 -8.045 1.00 0.00 C ATOM 1020 C GLU B 11 4.954 -1.048 -9.433 1.00 0.00 C ATOM 1021 O GLU B 11 3.862 -1.433 -9.849 1.00 0.00 O ATOM 1022 CB GLU B 11 5.000 1.147 -8.171 1.00 0.00 C ATOM 1023 CG GLU B 11 4.822 1.894 -6.832 1.00 0.00 C ATOM 1024 CD GLU B 11 3.350 2.124 -6.480 1.00 0.00 C ATOM 1025 OE1 GLU B 11 2.556 1.303 -5.988 1.00 0.00 O ATOM 1026 OE2 GLU B 11 2.708 3.161 -6.711 1.00 0.00 O ATOM 0 H GLU B 11 6.984 -0.106 -7.305 1.00 0.00 H new ATOM 0 HA GLU B 11 4.170 -0.717 -7.478 1.00 0.00 H new ATOM 0 HB2 GLU B 11 5.924 1.484 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU B 11 4.184 1.424 -8.838 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.298 1.323 -6.035 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.334 2.855 -6.885 1.00 0.00 H new ATOM 1033 N GLN B 12 6.079 -1.264 -10.134 1.00 0.00 N ATOM 1034 CA GLN B 12 6.124 -2.091 -11.349 1.00 0.00 C ATOM 1035 C GLN B 12 5.883 -3.582 -11.058 1.00 0.00 C ATOM 1036 O GLN B 12 5.328 -4.299 -11.893 1.00 0.00 O ATOM 1037 CB GLN B 12 7.479 -1.897 -12.048 1.00 0.00 C ATOM 1038 CG GLN B 12 7.323 -1.217 -13.406 1.00 0.00 C ATOM 1039 CD GLN B 12 6.767 -2.140 -14.492 1.00 0.00 C ATOM 1040 OE1 GLN B 12 5.565 -2.273 -14.680 1.00 0.00 O ATOM 1041 NE2 GLN B 12 7.610 -2.804 -15.254 1.00 0.00 N ATOM 0 H GLN B 12 6.983 -0.870 -9.873 1.00 0.00 H new ATOM 0 HA GLN B 12 5.315 -1.764 -12.002 1.00 0.00 H new ATOM 0 HB2 GLN B 12 8.133 -1.298 -11.414 1.00 0.00 H new ATOM 0 HB3 GLN B 12 7.962 -2.865 -12.179 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.662 -0.357 -13.299 1.00 0.00 H new ATOM 0 HG3 GLN B 12 8.293 -0.836 -13.726 1.00 0.00 H new ATOM 0 HE21 GLN B 12 8.615 -2.704 -15.110 1.00 0.00 H new ATOM 0 HE22 GLN B 12 7.258 -3.418 -15.988 1.00 0.00 H new ATOM 1050 N GLN B 13 6.266 -4.053 -9.865 1.00 0.00 N ATOM 1051 CA GLN B 13 5.900 -5.384 -9.378 1.00 0.00 C ATOM 1052 C GLN B 13 4.385 -5.485 -9.172 1.00 0.00 C ATOM 1053 O GLN B 13 3.739 -6.311 -9.814 1.00 0.00 O ATOM 1054 CB GLN B 13 6.701 -5.727 -8.116 1.00 0.00 C ATOM 1055 CG GLN B 13 7.637 -6.918 -8.357 1.00 0.00 C ATOM 1056 CD GLN B 13 8.341 -7.385 -7.082 1.00 0.00 C ATOM 1057 OE1 GLN B 13 7.723 -7.749 -6.091 1.00 0.00 O ATOM 1058 NE2 GLN B 13 9.658 -7.425 -7.055 1.00 0.00 N ATOM 0 H GLN B 13 6.839 -3.520 -9.211 1.00 0.00 H new ATOM 0 HA GLN B 13 6.160 -6.129 -10.129 1.00 0.00 H new ATOM 0 HB2 GLN B 13 7.284 -4.860 -7.806 1.00 0.00 H new ATOM 0 HB3 GLN B 13 6.017 -5.959 -7.300 1.00 0.00 H new ATOM 0 HG2 GLN B 13 7.064 -7.746 -8.775 1.00 0.00 H new ATOM 0 HG3 GLN B 13 8.385 -6.642 -9.100 1.00 0.00 H new ATOM 0 HE21 GLN B 13 10.194 -7.126 -7.870 1.00 0.00 H new ATOM 0 HE22 GLN B 13 10.141 -7.755 -6.219 1.00 0.00 H new ATOM 1067 N ALA B 14 3.809 -4.571 -8.383 1.00 0.00 N ATOM 1068 CA ALA B 14 2.374 -4.362 -8.171 1.00 0.00 C ATOM 1069 C ALA B 14 1.642 -3.777 -9.408 1.00 0.00 C ATOM 1070 O ALA B 14 0.835 -2.853 -9.299 1.00 0.00 O ATOM 1071 CB ALA B 14 2.211 -3.498 -6.910 1.00 0.00 C ATOM 0 H ALA B 14 4.371 -3.915 -7.840 1.00 0.00 H new ATOM 0 HA ALA B 14 1.888 -5.326 -8.024 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.151 -3.323 -6.723 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.650 -4.014 -6.056 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.716 -2.543 -7.055 1.00 0.00 H new ATOM 1077 N MET B 15 1.906 -4.330 -10.595 1.00 0.00 N ATOM 1078 CA MET B 15 1.271 -3.977 -11.868 1.00 0.00 C ATOM 1079 C MET B 15 1.113 -5.200 -12.773 1.00 0.00 C ATOM 1080 O MET B 15 0.018 -5.420 -13.294 1.00 0.00 O ATOM 1081 CB MET B 15 2.114 -2.879 -12.555 1.00 0.00 C ATOM 1082 CG MET B 15 1.631 -2.424 -13.943 1.00 0.00 C ATOM 1083 SD MET B 15 0.740 -0.845 -14.000 1.00 0.00 S ATOM 1084 CE MET B 15 -0.716 -1.262 -13.014 1.00 0.00 C ATOM 0 H MET B 15 2.600 -5.070 -10.700 1.00 0.00 H new ATOM 0 HA MET B 15 0.267 -3.599 -11.676 1.00 0.00 H new ATOM 0 HB2 MET B 15 2.143 -2.009 -11.900 1.00 0.00 H new ATOM 0 HB3 MET B 15 3.138 -3.241 -12.650 1.00 0.00 H new ATOM 0 HG2 MET B 15 2.497 -2.353 -14.601 1.00 0.00 H new ATOM 0 HG3 MET B 15 0.982 -3.199 -14.352 1.00 0.00 H new ATOM 0 HE1 MET B 15 -1.398 -0.412 -12.994 1.00 0.00 H new ATOM 0 HE2 MET B 15 -1.221 -2.121 -13.456 1.00 0.00 H new ATOM 0 HE3 MET B 15 -0.409 -1.505 -11.997 1.00 0.00 H new ATOM 1094 N LYS B 16 2.160 -6.030 -12.907 1.00 0.00 N ATOM 1095 CA LYS B 16 2.134 -7.251 -13.736 1.00 0.00 C ATOM 1096 C LYS B 16 0.996 -8.193 -13.336 1.00 0.00 C ATOM 1097 O LYS B 16 0.187 -8.595 -14.167 1.00 0.00 O ATOM 1098 CB LYS B 16 3.504 -7.935 -13.624 1.00 0.00 C ATOM 1099 CG LYS B 16 3.625 -9.166 -14.541 1.00 0.00 C ATOM 1100 CD LYS B 16 5.018 -9.814 -14.489 1.00 0.00 C ATOM 1101 CE LYS B 16 6.131 -8.977 -15.142 1.00 0.00 C ATOM 1102 NZ LYS B 16 6.017 -8.947 -16.626 1.00 0.00 N ATOM 0 H LYS B 16 3.054 -5.874 -12.442 1.00 0.00 H new ATOM 0 HA LYS B 16 1.941 -6.980 -14.774 1.00 0.00 H new ATOM 0 HB2 LYS B 16 4.286 -7.219 -13.877 1.00 0.00 H new ATOM 0 HB3 LYS B 16 3.672 -8.238 -12.590 1.00 0.00 H new ATOM 0 HG2 LYS B 16 2.876 -9.903 -14.253 1.00 0.00 H new ATOM 0 HG3 LYS B 16 3.404 -8.872 -15.567 1.00 0.00 H new ATOM 0 HD2 LYS B 16 5.282 -9.998 -13.447 1.00 0.00 H new ATOM 0 HD3 LYS B 16 4.973 -10.785 -14.982 1.00 0.00 H new ATOM 0 HE2 LYS B 16 6.091 -7.958 -14.756 1.00 0.00 H new ATOM 0 HE3 LYS B 16 7.102 -9.386 -14.862 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 6.788 -8.372 -17.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 6.082 -9.916 -16.999 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 5.102 -8.533 -16.896 1.00 0.00 H new ATOM 1116 N LEU B 17 0.916 -8.514 -12.046 1.00 0.00 N ATOM 1117 CA LEU B 17 -0.117 -9.380 -11.488 1.00 0.00 C ATOM 1118 C LEU B 17 -1.494 -8.730 -11.447 1.00 0.00 C ATOM 1119 O LEU B 17 -2.479 -9.449 -11.566 1.00 0.00 O ATOM 1120 CB LEU B 17 0.195 -9.915 -10.083 1.00 0.00 C ATOM 1121 CG LEU B 17 1.594 -9.646 -9.560 1.00 0.00 C ATOM 1122 CD1 LEU B 17 1.621 -8.298 -8.839 1.00 0.00 C ATOM 1123 CD2 LEU B 17 2.032 -10.753 -8.614 1.00 0.00 C ATOM 0 H LEU B 17 1.578 -8.173 -11.349 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.126 -10.218 -12.185 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.521 -9.482 -9.385 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.030 -10.992 -10.082 1.00 0.00 H new ATOM 0 HG LEU B 17 2.286 -9.619 -10.402 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.626 -8.106 -8.464 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.336 -7.508 -9.534 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.920 -8.318 -8.005 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.037 -10.543 -8.249 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.343 -10.805 -7.771 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.030 -11.706 -9.143 1.00 0.00 H new ATOM 1135 N TYR B 18 -1.596 -7.408 -11.244 1.00 0.00 N ATOM 1136 CA TYR B 18 -2.907 -6.786 -11.060 1.00 0.00 C ATOM 1137 C TYR B 18 -3.793 -6.926 -12.313 1.00 0.00 C ATOM 1138 O TYR B 18 -4.943 -7.350 -12.193 1.00 0.00 O ATOM 1139 CB TYR B 18 -2.737 -5.344 -10.571 1.00 0.00 C ATOM 1140 CG TYR B 18 -2.848 -5.209 -9.061 1.00 0.00 C ATOM 1141 CD1 TYR B 18 -4.102 -5.366 -8.439 1.00 0.00 C ATOM 1142 CD2 TYR B 18 -1.710 -4.945 -8.276 1.00 0.00 C ATOM 1143 CE1 TYR B 18 -4.219 -5.275 -7.040 1.00 0.00 C ATOM 1144 CE2 TYR B 18 -1.824 -4.819 -6.879 1.00 0.00 C ATOM 1145 CZ TYR B 18 -3.080 -4.985 -6.256 1.00 0.00 C ATOM 1146 OH TYR B 18 -3.184 -4.859 -4.906 1.00 0.00 O ATOM 0 H TYR B 18 -0.805 -6.766 -11.204 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.450 -7.320 -10.281 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.765 -4.970 -10.893 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -3.492 -4.715 -11.042 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -4.979 -5.557 -9.040 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.744 -4.839 -8.748 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -5.178 -5.427 -6.566 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -0.951 -4.595 -6.284 1.00 0.00 H new ATOM 0 HH TYR B 18 -3.521 -5.696 -4.524 1.00 0.00 H new ATOM 1156 N ARG B 19 -3.245 -6.706 -13.522 1.00 0.00 N ATOM 1157 CA ARG B 19 -3.892 -7.154 -14.779 1.00 0.00 C ATOM 1158 C ARG B 19 -4.168 -8.669 -14.866 1.00 0.00 C ATOM 1159 O ARG B 19 -5.265 -9.055 -15.260 1.00 0.00 O ATOM 1160 CB ARG B 19 -3.136 -6.626 -16.018 1.00 0.00 C ATOM 1161 CG ARG B 19 -1.683 -7.113 -16.150 1.00 0.00 C ATOM 1162 CD ARG B 19 -1.037 -6.755 -17.493 1.00 0.00 C ATOM 1163 NE ARG B 19 -0.795 -5.307 -17.642 1.00 0.00 N ATOM 1164 CZ ARG B 19 -0.347 -4.703 -18.729 1.00 0.00 C ATOM 1165 NH1 ARG B 19 -0.077 -5.357 -19.825 1.00 0.00 N ATOM 1166 NH2 ARG B 19 -0.154 -3.415 -18.738 1.00 0.00 N ATOM 0 H ARG B 19 -2.358 -6.222 -13.660 1.00 0.00 H new ATOM 0 HA ARG B 19 -4.885 -6.704 -14.764 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -3.685 -6.921 -16.912 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -3.137 -5.536 -15.988 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -1.089 -6.682 -15.344 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -1.658 -8.195 -16.021 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.092 -7.289 -17.590 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -1.681 -7.097 -18.303 1.00 0.00 H new ATOM 0 HE ARG B 19 -0.991 -4.719 -16.832 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -0.210 -6.368 -19.862 1.00 0.00 H new ATOM 0 HH12 ARG B 19 0.267 -4.858 -20.645 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -0.349 -2.864 -17.902 1.00 0.00 H new ATOM 0 HH22 ARG B 19 0.192 -2.957 -19.581 1.00 0.00 H new ATOM 1180 N GLU B 20 -3.222 -9.535 -14.489 1.00 0.00 N ATOM 1181 CA GLU B 20 -3.313 -11.000 -14.674 1.00 0.00 C ATOM 1182 C GLU B 20 -4.390 -11.639 -13.788 1.00 0.00 C ATOM 1183 O GLU B 20 -5.240 -12.398 -14.252 1.00 0.00 O ATOM 1184 CB GLU B 20 -1.947 -11.619 -14.336 1.00 0.00 C ATOM 1185 CG GLU B 20 -1.633 -12.930 -15.082 1.00 0.00 C ATOM 1186 CD GLU B 20 -2.443 -14.157 -14.603 1.00 0.00 C ATOM 1187 OE1 GLU B 20 -2.454 -14.436 -13.380 1.00 0.00 O ATOM 1188 OE2 GLU B 20 -3.018 -14.885 -15.451 1.00 0.00 O ATOM 0 H GLU B 20 -2.355 -9.241 -14.039 1.00 0.00 H new ATOM 0 HA GLU B 20 -3.592 -11.192 -15.710 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -1.167 -10.892 -14.563 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.904 -11.808 -13.263 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -1.821 -12.781 -16.145 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -0.571 -13.148 -14.973 1.00 0.00 H new ATOM 1195 N ALA B 21 -4.370 -11.277 -12.508 1.00 0.00 N ATOM 1196 CA ALA B 21 -5.369 -11.668 -11.521 1.00 0.00 C ATOM 1197 C ALA B 21 -6.772 -11.198 -11.932 1.00 0.00 C ATOM 1198 O ALA B 21 -7.712 -11.989 -11.902 1.00 0.00 O ATOM 1199 CB ALA B 21 -4.958 -11.111 -10.153 1.00 0.00 C ATOM 0 H ALA B 21 -3.636 -10.686 -12.119 1.00 0.00 H new ATOM 0 HA ALA B 21 -5.415 -12.755 -11.460 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -5.698 -11.397 -9.406 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -3.985 -11.515 -9.873 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -4.898 -10.024 -10.206 1.00 0.00 H new ATOM 1205 N SER B 22 -6.916 -9.950 -12.396 1.00 0.00 N ATOM 1206 CA SER B 22 -8.189 -9.423 -12.913 1.00 0.00 C ATOM 1207 C SER B 22 -8.725 -10.239 -14.092 1.00 0.00 C ATOM 1208 O SER B 22 -9.900 -10.601 -14.123 1.00 0.00 O ATOM 1209 CB SER B 22 -7.997 -7.978 -13.369 1.00 0.00 C ATOM 1210 OG SER B 22 -9.248 -7.331 -13.511 1.00 0.00 O ATOM 0 H SER B 22 -6.152 -9.275 -12.424 1.00 0.00 H new ATOM 0 HA SER B 22 -8.914 -9.485 -12.101 1.00 0.00 H new ATOM 0 HB2 SER B 22 -7.384 -7.441 -12.646 1.00 0.00 H new ATOM 0 HB3 SER B 22 -7.461 -7.958 -14.318 1.00 0.00 H new ATOM 0 HG SER B 22 -9.146 -6.546 -14.088 1.00 0.00 H new ATOM 1216 N GLU B 23 -7.838 -10.592 -15.024 1.00 0.00 N ATOM 1217 CA GLU B 23 -8.143 -11.420 -16.207 1.00 0.00 C ATOM 1218 C GLU B 23 -8.766 -12.797 -15.870 1.00 0.00 C ATOM 1219 O GLU B 23 -9.520 -13.340 -16.683 1.00 0.00 O ATOM 1220 CB GLU B 23 -6.872 -11.583 -17.063 1.00 0.00 C ATOM 1221 CG GLU B 23 -7.164 -11.958 -18.522 1.00 0.00 C ATOM 1222 CD GLU B 23 -5.859 -12.114 -19.328 1.00 0.00 C ATOM 1223 OE1 GLU B 23 -5.269 -11.088 -19.746 1.00 0.00 O ATOM 1224 OE2 GLU B 23 -5.421 -13.266 -19.567 1.00 0.00 O ATOM 0 H GLU B 23 -6.860 -10.306 -14.982 1.00 0.00 H new ATOM 0 HA GLU B 23 -8.910 -10.891 -16.772 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -6.306 -10.652 -17.041 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -6.239 -12.351 -16.618 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -7.729 -12.890 -18.555 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.788 -11.191 -18.980 1.00 0.00 H new ATOM 1231 N ARG B 24 -8.511 -13.346 -14.668 1.00 0.00 N ATOM 1232 CA ARG B 24 -9.066 -14.634 -14.199 1.00 0.00 C ATOM 1233 C ARG B 24 -10.193 -14.482 -13.168 1.00 0.00 C ATOM 1234 O ARG B 24 -11.195 -15.194 -13.249 1.00 0.00 O ATOM 1235 CB ARG B 24 -7.947 -15.504 -13.598 1.00 0.00 C ATOM 1236 CG ARG B 24 -6.834 -15.864 -14.595 1.00 0.00 C ATOM 1237 CD ARG B 24 -5.867 -16.859 -13.940 1.00 0.00 C ATOM 1238 NE ARG B 24 -4.711 -17.151 -14.808 1.00 0.00 N ATOM 1239 CZ ARG B 24 -4.142 -18.323 -15.018 1.00 0.00 C ATOM 1240 NH1 ARG B 24 -4.529 -19.415 -14.414 1.00 0.00 N ATOM 1241 NH2 ARG B 24 -3.151 -18.423 -15.856 1.00 0.00 N ATOM 0 H ARG B 24 -7.903 -12.900 -13.981 1.00 0.00 H new ATOM 0 HA ARG B 24 -9.500 -15.112 -15.078 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.506 -14.978 -12.751 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -8.384 -16.424 -13.209 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -7.265 -16.299 -15.497 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -6.298 -14.965 -14.899 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -5.516 -16.454 -12.991 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -6.396 -17.785 -13.715 1.00 0.00 H new ATOM 0 HE ARG B 24 -4.305 -16.357 -15.302 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -5.301 -19.383 -13.748 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -4.059 -20.299 -14.608 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -2.815 -17.596 -16.350 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -2.710 -19.328 -16.019 1.00 0.00 H new ATOM 1255 N VAL B 25 -10.037 -13.575 -12.202 1.00 0.00 N ATOM 1256 CA VAL B 25 -10.958 -13.375 -11.066 1.00 0.00 C ATOM 1257 C VAL B 25 -12.180 -12.529 -11.456 1.00 0.00 C ATOM 1258 O VAL B 25 -13.288 -12.788 -10.983 1.00 0.00 O ATOM 1259 CB VAL B 25 -10.201 -12.742 -9.879 1.00 0.00 C ATOM 1260 CG1 VAL B 25 -11.097 -12.444 -8.674 1.00 0.00 C ATOM 1261 CG2 VAL B 25 -9.074 -13.658 -9.374 1.00 0.00 C ATOM 0 H VAL B 25 -9.243 -12.936 -12.182 1.00 0.00 H new ATOM 0 HA VAL B 25 -11.336 -14.352 -10.765 1.00 0.00 H new ATOM 0 HB VAL B 25 -9.806 -11.808 -10.278 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -10.500 -12.001 -7.877 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -11.883 -11.748 -8.968 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -11.547 -13.370 -8.317 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -8.563 -13.180 -8.538 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -9.497 -14.608 -9.045 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -8.362 -13.837 -10.180 1.00 0.00 H new ATOM 1271 N GLY B 26 -12.004 -11.542 -12.340 1.00 0.00 N ATOM 1272 CA GLY B 26 -13.076 -10.707 -12.900 1.00 0.00 C ATOM 1273 C GLY B 26 -13.695 -9.661 -11.958 1.00 0.00 C ATOM 1274 O GLY B 26 -14.624 -8.962 -12.369 1.00 0.00 O ATOM 0 H GLY B 26 -11.082 -11.293 -12.698 1.00 0.00 H new ATOM 0 HA2 GLY B 26 -12.683 -10.188 -13.774 1.00 0.00 H new ATOM 0 HA3 GLY B 26 -13.872 -11.364 -13.250 1.00 0.00 H new ATOM 1278 N ASP B 27 -13.225 -9.530 -10.711 1.00 0.00 N ATOM 1279 CA ASP B 27 -13.755 -8.547 -9.750 1.00 0.00 C ATOM 1280 C ASP B 27 -13.429 -7.094 -10.168 1.00 0.00 C ATOM 1281 O ASP B 27 -12.276 -6.792 -10.502 1.00 0.00 O ATOM 1282 CB ASP B 27 -13.220 -8.819 -8.333 1.00 0.00 C ATOM 1283 CG ASP B 27 -13.986 -9.927 -7.582 1.00 0.00 C ATOM 1284 OD1 ASP B 27 -15.229 -10.023 -7.720 1.00 0.00 O ATOM 1285 OD2 ASP B 27 -13.350 -10.673 -6.802 1.00 0.00 O ATOM 0 H ASP B 27 -12.467 -10.101 -10.337 1.00 0.00 H new ATOM 0 HA ASP B 27 -14.839 -8.660 -9.748 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -12.168 -9.098 -8.399 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -13.270 -7.898 -7.753 1.00 0.00 H new ATOM 1290 N PRO B 28 -14.404 -6.161 -10.121 1.00 0.00 N ATOM 1291 CA PRO B 28 -14.228 -4.807 -10.646 1.00 0.00 C ATOM 1292 C PRO B 28 -13.287 -3.941 -9.800 1.00 0.00 C ATOM 1293 O PRO B 28 -12.534 -3.144 -10.359 1.00 0.00 O ATOM 1294 CB PRO B 28 -15.638 -4.211 -10.725 1.00 0.00 C ATOM 1295 CG PRO B 28 -16.414 -4.968 -9.648 1.00 0.00 C ATOM 1296 CD PRO B 28 -15.780 -6.357 -9.682 1.00 0.00 C ATOM 0 HA PRO B 28 -13.744 -4.839 -11.622 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -15.630 -3.138 -10.533 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -16.079 -4.355 -11.712 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -16.308 -4.500 -8.669 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -17.481 -5.005 -9.870 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -15.813 -6.825 -8.698 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -16.317 -7.014 -10.365 1.00 0.00 H new ATOM 1304 N VAL B 29 -13.264 -4.105 -8.470 1.00 0.00 N ATOM 1305 CA VAL B 29 -12.318 -3.368 -7.609 1.00 0.00 C ATOM 1306 C VAL B 29 -10.864 -3.824 -7.821 1.00 0.00 C ATOM 1307 O VAL B 29 -9.946 -3.013 -7.741 1.00 0.00 O ATOM 1308 CB VAL B 29 -12.757 -3.384 -6.130 1.00 0.00 C ATOM 1309 CG1 VAL B 29 -12.535 -4.715 -5.406 1.00 0.00 C ATOM 1310 CG2 VAL B 29 -12.067 -2.276 -5.332 1.00 0.00 C ATOM 0 H VAL B 29 -13.885 -4.738 -7.965 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.344 -2.323 -7.917 1.00 0.00 H new ATOM 0 HB VAL B 29 -13.834 -3.219 -6.174 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -12.874 -4.629 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -13.099 -5.501 -5.908 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.474 -4.964 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -12.398 -2.315 -4.294 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.987 -2.416 -5.374 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -12.324 -1.306 -5.759 1.00 0.00 H new ATOM 1320 N LEU B 30 -10.643 -5.090 -8.198 1.00 0.00 N ATOM 1321 CA LEU B 30 -9.331 -5.618 -8.581 1.00 0.00 C ATOM 1322 C LEU B 30 -8.807 -4.936 -9.862 1.00 0.00 C ATOM 1323 O LEU B 30 -7.657 -4.495 -9.904 1.00 0.00 O ATOM 1324 CB LEU B 30 -9.460 -7.156 -8.705 1.00 0.00 C ATOM 1325 CG LEU B 30 -8.232 -7.938 -8.213 1.00 0.00 C ATOM 1326 CD1 LEU B 30 -8.577 -9.415 -8.011 1.00 0.00 C ATOM 1327 CD2 LEU B 30 -7.056 -7.882 -9.187 1.00 0.00 C ATOM 0 H LEU B 30 -11.386 -5.787 -8.246 1.00 0.00 H new ATOM 0 HA LEU B 30 -8.582 -5.394 -7.821 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -10.333 -7.482 -8.140 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -9.643 -7.410 -9.749 1.00 0.00 H new ATOM 0 HG LEU B 30 -7.943 -7.462 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -7.694 -9.951 -7.663 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -9.372 -9.505 -7.270 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -8.912 -9.843 -8.956 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -6.221 -8.453 -8.782 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -7.356 -8.307 -10.145 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -6.751 -6.845 -9.330 1.00 0.00 H new ATOM 1339 N ALA B 31 -9.675 -4.747 -10.864 1.00 0.00 N ATOM 1340 CA ALA B 31 -9.371 -3.926 -12.041 1.00 0.00 C ATOM 1341 C ALA B 31 -9.126 -2.445 -11.676 1.00 0.00 C ATOM 1342 O ALA B 31 -8.169 -1.835 -12.156 1.00 0.00 O ATOM 1343 CB ALA B 31 -10.512 -4.061 -13.058 1.00 0.00 C ATOM 0 H ALA B 31 -10.608 -5.159 -10.881 1.00 0.00 H new ATOM 0 HA ALA B 31 -8.443 -4.290 -12.481 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -10.291 -3.453 -13.935 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -10.612 -5.105 -13.356 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -11.444 -3.722 -12.606 1.00 0.00 H new ATOM 1349 N LYS B 32 -9.954 -1.871 -10.788 1.00 0.00 N ATOM 1350 CA LYS B 32 -9.832 -0.481 -10.316 1.00 0.00 C ATOM 1351 C LYS B 32 -8.493 -0.198 -9.625 1.00 0.00 C ATOM 1352 O LYS B 32 -7.934 0.887 -9.785 1.00 0.00 O ATOM 1353 CB LYS B 32 -11.024 -0.146 -9.398 1.00 0.00 C ATOM 1354 CG LYS B 32 -11.224 1.352 -9.110 1.00 0.00 C ATOM 1355 CD LYS B 32 -11.643 2.149 -10.358 1.00 0.00 C ATOM 1356 CE LYS B 32 -11.935 3.625 -10.048 1.00 0.00 C ATOM 1357 NZ LYS B 32 -13.172 3.807 -9.240 1.00 0.00 N ATOM 0 H LYS B 32 -10.741 -2.368 -10.370 1.00 0.00 H new ATOM 0 HA LYS B 32 -9.853 0.171 -11.189 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.934 -0.538 -9.852 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -10.891 -0.668 -8.450 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -11.983 1.470 -8.337 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -10.298 1.768 -8.713 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -10.852 2.089 -11.105 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -12.530 1.691 -10.795 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -11.089 4.054 -9.511 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -12.032 4.176 -10.983 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -13.360 4.822 -9.117 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -13.975 3.363 -9.730 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -13.047 3.362 -8.308 1.00 0.00 H new ATOM 1371 N ILE B 33 -7.938 -1.180 -8.912 1.00 0.00 N ATOM 1372 CA ILE B 33 -6.611 -1.051 -8.295 1.00 0.00 C ATOM 1373 C ILE B 33 -5.502 -0.939 -9.351 1.00 0.00 C ATOM 1374 O ILE B 33 -4.641 -0.072 -9.217 1.00 0.00 O ATOM 1375 CB ILE B 33 -6.368 -2.153 -7.250 1.00 0.00 C ATOM 1376 CG1 ILE B 33 -7.318 -1.906 -6.056 1.00 0.00 C ATOM 1377 CG2 ILE B 33 -4.913 -2.116 -6.750 1.00 0.00 C ATOM 1378 CD1 ILE B 33 -7.505 -3.151 -5.200 1.00 0.00 C ATOM 0 H ILE B 33 -8.388 -2.080 -8.745 1.00 0.00 H new ATOM 0 HA ILE B 33 -6.581 -0.111 -7.744 1.00 0.00 H new ATOM 0 HB ILE B 33 -6.555 -3.127 -7.702 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -6.921 -1.100 -5.439 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -8.287 -1.575 -6.428 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -4.762 -2.903 -6.012 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.236 -2.271 -7.590 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.709 -1.147 -6.294 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -8.180 -2.927 -4.374 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -7.928 -3.950 -5.808 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -6.540 -3.468 -4.804 1.00 0.00 H new ATOM 1390 N LEU B 34 -5.548 -1.720 -10.438 1.00 0.00 N ATOM 1391 CA LEU B 34 -4.583 -1.587 -11.542 1.00 0.00 C ATOM 1392 C LEU B 34 -4.649 -0.193 -12.199 1.00 0.00 C ATOM 1393 O LEU B 34 -3.616 0.390 -12.514 1.00 0.00 O ATOM 1394 CB LEU B 34 -4.714 -2.781 -12.520 1.00 0.00 C ATOM 1395 CG LEU B 34 -5.333 -2.522 -13.908 1.00 0.00 C ATOM 1396 CD1 LEU B 34 -4.309 -1.997 -14.921 1.00 0.00 C ATOM 1397 CD2 LEU B 34 -5.873 -3.828 -14.489 1.00 0.00 C ATOM 0 H LEU B 34 -6.244 -2.452 -10.578 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.570 -1.642 -11.144 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.718 -3.197 -12.672 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.309 -3.550 -12.028 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.115 -1.779 -13.754 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.798 -1.832 -15.881 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.890 -1.057 -14.561 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.510 -2.728 -15.042 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -6.309 -3.637 -15.470 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.059 -4.547 -14.587 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.637 -4.233 -13.825 1.00 0.00 H new ATOM 1409 N GLU B 35 -5.843 0.384 -12.344 1.00 0.00 N ATOM 1410 CA GLU B 35 -6.059 1.726 -12.873 1.00 0.00 C ATOM 1411 C GLU B 35 -5.417 2.810 -11.992 1.00 0.00 C ATOM 1412 O GLU B 35 -4.838 3.772 -12.497 1.00 0.00 O ATOM 1413 CB GLU B 35 -7.575 1.920 -12.967 1.00 0.00 C ATOM 1414 CG GLU B 35 -8.124 1.585 -14.351 1.00 0.00 C ATOM 1415 CD GLU B 35 -7.932 2.749 -15.342 1.00 0.00 C ATOM 1416 OE1 GLU B 35 -8.804 3.652 -15.401 1.00 0.00 O ATOM 1417 OE2 GLU B 35 -6.914 2.766 -16.075 1.00 0.00 O ATOM 0 H GLU B 35 -6.711 -0.086 -12.088 1.00 0.00 H new ATOM 0 HA GLU B 35 -5.585 1.825 -13.850 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.065 1.291 -12.224 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.821 2.953 -12.723 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -7.624 0.696 -14.734 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -9.185 1.346 -14.273 1.00 0.00 H new ATOM 1424 N ASP B 36 -5.469 2.639 -10.670 1.00 0.00 N ATOM 1425 CA ASP B 36 -4.800 3.511 -9.711 1.00 0.00 C ATOM 1426 C ASP B 36 -3.275 3.303 -9.644 1.00 0.00 C ATOM 1427 O ASP B 36 -2.540 4.268 -9.458 1.00 0.00 O ATOM 1428 CB ASP B 36 -5.421 3.276 -8.336 1.00 0.00 C ATOM 1429 CG ASP B 36 -6.757 3.992 -8.087 1.00 0.00 C ATOM 1430 OD1 ASP B 36 -7.025 5.057 -8.695 1.00 0.00 O ATOM 1431 OD2 ASP B 36 -7.509 3.499 -7.214 1.00 0.00 O ATOM 0 H ASP B 36 -5.986 1.877 -10.231 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.944 4.539 -10.043 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.571 2.205 -8.202 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -4.709 3.596 -7.575 1.00 0.00 H new ATOM 1436 N GLU B 37 -2.755 2.089 -9.832 1.00 0.00 N ATOM 1437 CA GLU B 37 -1.302 1.882 -9.969 1.00 0.00 C ATOM 1438 C GLU B 37 -0.737 2.388 -11.313 1.00 0.00 C ATOM 1439 O GLU B 37 0.478 2.543 -11.439 1.00 0.00 O ATOM 1440 CB GLU B 37 -0.926 0.403 -9.766 1.00 0.00 C ATOM 1441 CG GLU B 37 -1.272 -0.193 -8.394 1.00 0.00 C ATOM 1442 CD GLU B 37 -0.726 0.556 -7.182 1.00 0.00 C ATOM 1443 OE1 GLU B 37 0.152 1.451 -7.263 1.00 0.00 O ATOM 1444 OE2 GLU B 37 -1.192 0.287 -6.052 1.00 0.00 O ATOM 0 H GLU B 37 -3.310 1.235 -9.893 1.00 0.00 H new ATOM 0 HA GLU B 37 -0.845 2.482 -9.182 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -1.425 -0.188 -10.534 1.00 0.00 H new ATOM 0 HB3 GLU B 37 0.146 0.295 -9.928 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.357 -0.245 -8.306 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -0.901 -1.217 -8.361 1.00 0.00 H new ATOM 1451 N GLU B 38 -1.581 2.687 -12.308 1.00 0.00 N ATOM 1452 CA GLU B 38 -1.133 3.201 -13.609 1.00 0.00 C ATOM 1453 C GLU B 38 -0.528 4.614 -13.505 1.00 0.00 C ATOM 1454 O GLU B 38 0.610 4.833 -13.926 1.00 0.00 O ATOM 1455 CB GLU B 38 -2.299 3.206 -14.612 1.00 0.00 C ATOM 1456 CG GLU B 38 -1.794 3.251 -16.066 1.00 0.00 C ATOM 1457 CD GLU B 38 -2.571 4.263 -16.932 1.00 0.00 C ATOM 1458 OE1 GLU B 38 -2.468 5.489 -16.680 1.00 0.00 O ATOM 1459 OE2 GLU B 38 -3.256 3.846 -17.899 1.00 0.00 O ATOM 0 H GLU B 38 -2.593 2.580 -12.235 1.00 0.00 H new ATOM 0 HA GLU B 38 -0.348 2.533 -13.962 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -2.910 2.315 -14.466 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -2.940 4.067 -14.422 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -0.735 3.511 -16.071 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -1.881 2.258 -16.508 1.00 0.00 H new ATOM 1466 N LYS B 39 -1.255 5.578 -12.914 1.00 0.00 N ATOM 1467 CA LYS B 39 -0.767 6.971 -12.779 1.00 0.00 C ATOM 1468 C LYS B 39 0.401 7.130 -11.795 1.00 0.00 C ATOM 1469 O LYS B 39 1.212 8.047 -11.926 1.00 0.00 O ATOM 1470 CB LYS B 39 -1.912 7.970 -12.524 1.00 0.00 C ATOM 1471 CG LYS B 39 -2.354 8.191 -11.069 1.00 0.00 C ATOM 1472 CD LYS B 39 -3.203 7.065 -10.455 1.00 0.00 C ATOM 1473 CE LYS B 39 -4.670 7.446 -10.220 1.00 0.00 C ATOM 1474 NZ LYS B 39 -4.841 8.324 -9.032 1.00 0.00 N ATOM 0 H LYS B 39 -2.183 5.423 -12.521 1.00 0.00 H new ATOM 0 HA LYS B 39 -0.344 7.226 -13.750 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -1.613 8.935 -12.934 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -2.781 7.637 -13.092 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -1.464 8.327 -10.454 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -2.922 9.120 -11.018 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -3.165 6.196 -11.112 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -2.759 6.766 -9.505 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -5.057 7.954 -11.103 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -5.262 6.540 -10.088 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -5.855 8.458 -8.843 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -4.390 7.882 -8.206 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -4.398 9.247 -9.216 1.00 0.00 H new ATOM 1488 N HIS B 40 0.513 6.206 -10.837 1.00 0.00 N ATOM 1489 CA HIS B 40 1.498 6.195 -9.747 1.00 0.00 C ATOM 1490 C HIS B 40 2.975 6.181 -10.162 1.00 0.00 C ATOM 1491 O HIS B 40 3.815 6.452 -9.310 1.00 0.00 O ATOM 1492 CB HIS B 40 1.224 4.968 -8.861 1.00 0.00 C ATOM 1493 CG HIS B 40 0.199 5.139 -7.769 1.00 0.00 C ATOM 1494 ND1 HIS B 40 -0.028 4.225 -6.722 1.00 0.00 N ATOM 1495 CD2 HIS B 40 -0.685 6.172 -7.669 1.00 0.00 C ATOM 1496 CE1 HIS B 40 -1.087 4.740 -6.050 1.00 0.00 C ATOM 1497 NE2 HIS B 40 -1.492 5.899 -6.596 1.00 0.00 N ATOM 0 H HIS B 40 -0.113 5.402 -10.797 1.00 0.00 H new ATOM 0 HA HIS B 40 1.363 7.144 -9.229 1.00 0.00 H new ATOM 0 HB2 HIS B 40 0.903 4.148 -9.504 1.00 0.00 H new ATOM 0 HB3 HIS B 40 2.164 4.663 -8.401 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -0.739 7.038 -8.312 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -1.545 4.279 -5.188 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -2.267 6.476 -6.268 1.00 0.00 H new ATOM 1505 N ILE B 41 3.311 5.884 -11.421 1.00 0.00 N ATOM 1506 CA ILE B 41 4.676 5.581 -11.886 1.00 0.00 C ATOM 1507 C ILE B 41 5.209 6.627 -12.879 1.00 0.00 C ATOM 1508 O ILE B 41 6.412 6.882 -12.913 1.00 0.00 O ATOM 1509 CB ILE B 41 4.742 4.130 -12.407 1.00 0.00 C ATOM 1510 CG1 ILE B 41 6.186 3.584 -12.411 1.00 0.00 C ATOM 1511 CG2 ILE B 41 4.105 3.953 -13.795 1.00 0.00 C ATOM 1512 CD1 ILE B 41 6.205 2.093 -12.056 1.00 0.00 C ATOM 0 H ILE B 41 2.621 5.846 -12.172 1.00 0.00 H new ATOM 0 HA ILE B 41 5.358 5.650 -11.038 1.00 0.00 H new ATOM 0 HB ILE B 41 4.149 3.546 -11.703 1.00 0.00 H new ATOM 0 HG12 ILE B 41 6.634 3.734 -13.393 1.00 0.00 H new ATOM 0 HG13 ILE B 41 6.792 4.140 -11.696 1.00 0.00 H new ATOM 0 HG21 ILE B 41 4.185 2.910 -14.102 1.00 0.00 H new ATOM 0 HG22 ILE B 41 3.054 4.239 -13.752 1.00 0.00 H new ATOM 0 HG23 ILE B 41 4.623 4.584 -14.516 1.00 0.00 H new ATOM 0 HD11 ILE B 41 7.233 1.730 -12.065 1.00 0.00 H new ATOM 0 HD12 ILE B 41 5.778 1.950 -11.063 1.00 0.00 H new ATOM 0 HD13 ILE B 41 5.618 1.537 -12.787 1.00 0.00 H new ATOM 1524 N GLU B 42 4.323 7.340 -13.588 1.00 0.00 N ATOM 1525 CA GLU B 42 4.662 8.635 -14.198 1.00 0.00 C ATOM 1526 C GLU B 42 5.022 9.652 -13.107 1.00 0.00 C ATOM 1527 O GLU B 42 6.084 10.271 -13.166 1.00 0.00 O ATOM 1528 CB GLU B 42 3.487 9.167 -15.043 1.00 0.00 C ATOM 1529 CG GLU B 42 3.609 8.836 -16.535 1.00 0.00 C ATOM 1530 CD GLU B 42 3.567 7.324 -16.828 1.00 0.00 C ATOM 1531 OE1 GLU B 42 2.456 6.741 -16.849 1.00 0.00 O ATOM 1532 OE2 GLU B 42 4.638 6.722 -17.084 1.00 0.00 O ATOM 0 H GLU B 42 3.362 7.041 -13.754 1.00 0.00 H new ATOM 0 HA GLU B 42 5.521 8.490 -14.853 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.556 8.748 -14.661 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.423 10.248 -14.923 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.800 9.327 -17.076 1.00 0.00 H new ATOM 0 HG3 GLU B 42 4.544 9.247 -16.916 1.00 0.00 H new ATOM 1539 N TRP B 43 4.184 9.771 -12.068 1.00 0.00 N ATOM 1540 CA TRP B 43 4.446 10.636 -10.911 1.00 0.00 C ATOM 1541 C TRP B 43 5.734 10.248 -10.162 1.00 0.00 C ATOM 1542 O TRP B 43 6.482 11.126 -9.731 1.00 0.00 O ATOM 1543 CB TRP B 43 3.225 10.608 -9.978 1.00 0.00 C ATOM 1544 CG TRP B 43 1.934 11.158 -10.526 1.00 0.00 C ATOM 1545 CD1 TRP B 43 1.796 11.973 -11.599 1.00 0.00 C ATOM 1546 CD2 TRP B 43 0.581 10.995 -9.990 1.00 0.00 C ATOM 1547 NE1 TRP B 43 0.470 12.329 -11.752 1.00 0.00 N ATOM 1548 CE2 TRP B 43 -0.315 11.806 -10.749 1.00 0.00 C ATOM 1549 CE3 TRP B 43 0.021 10.269 -8.918 1.00 0.00 C ATOM 1550 CZ2 TRP B 43 -1.670 11.948 -10.416 1.00 0.00 C ATOM 1551 CZ3 TRP B 43 -1.334 10.413 -8.559 1.00 0.00 C ATOM 1552 CH2 TRP B 43 -2.176 11.267 -9.295 1.00 0.00 C ATOM 0 H TRP B 43 3.300 9.266 -12.007 1.00 0.00 H new ATOM 0 HA TRP B 43 4.607 11.652 -11.272 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.052 9.575 -9.677 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.475 11.166 -9.076 1.00 0.00 H new ATOM 0 HD1 TRP B 43 2.603 12.297 -12.240 1.00 0.00 H new ATOM 0 HE1 TRP B 43 0.116 12.908 -12.514 1.00 0.00 H new ATOM 0 HE3 TRP B 43 0.645 9.587 -8.360 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -2.317 12.573 -11.014 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -1.728 9.866 -7.715 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -3.207 11.399 -9.000 1.00 0.00 H new ATOM 1563 N LEU B 44 6.032 8.948 -10.068 1.00 0.00 N ATOM 1564 CA LEU B 44 7.277 8.409 -9.494 1.00 0.00 C ATOM 1565 C LEU B 44 8.532 8.936 -10.213 1.00 0.00 C ATOM 1566 O LEU B 44 9.486 9.410 -9.596 1.00 0.00 O ATOM 1567 CB LEU B 44 7.182 6.884 -9.638 1.00 0.00 C ATOM 1568 CG LEU B 44 7.833 6.016 -8.581 1.00 0.00 C ATOM 1569 CD1 LEU B 44 7.532 4.558 -8.901 1.00 0.00 C ATOM 1570 CD2 LEU B 44 9.328 6.243 -8.419 1.00 0.00 C ATOM 0 H LEU B 44 5.399 8.219 -10.397 1.00 0.00 H new ATOM 0 HA LEU B 44 7.377 8.721 -8.454 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.125 6.620 -9.679 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.615 6.614 -10.601 1.00 0.00 H new ATOM 0 HG LEU B 44 7.406 6.298 -7.619 1.00 0.00 H new ATOM 0 HD11 LEU B 44 7.994 3.918 -8.149 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.453 4.400 -8.899 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.933 4.311 -9.884 1.00 0.00 H new ATOM 0 HD21 LEU B 44 9.714 5.582 -7.643 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.833 6.030 -9.361 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.510 7.280 -8.136 1.00 0.00 H new ATOM 1582 N GLU B 45 8.503 8.872 -11.540 1.00 0.00 N ATOM 1583 CA GLU B 45 9.548 9.399 -12.427 1.00 0.00 C ATOM 1584 C GLU B 45 9.657 10.935 -12.351 1.00 0.00 C ATOM 1585 O GLU B 45 10.761 11.463 -12.215 1.00 0.00 O ATOM 1586 CB GLU B 45 9.273 8.907 -13.859 1.00 0.00 C ATOM 1587 CG GLU B 45 10.531 8.781 -14.733 1.00 0.00 C ATOM 1588 CD GLU B 45 11.112 10.127 -15.212 1.00 0.00 C ATOM 1589 OE1 GLU B 45 10.353 10.974 -15.742 1.00 0.00 O ATOM 1590 OE2 GLU B 45 12.350 10.316 -15.124 1.00 0.00 O ATOM 0 H GLU B 45 7.731 8.440 -12.048 1.00 0.00 H new ATOM 0 HA GLU B 45 10.517 9.023 -12.099 1.00 0.00 H new ATOM 0 HB2 GLU B 45 8.780 7.936 -13.809 1.00 0.00 H new ATOM 0 HB3 GLU B 45 8.577 9.594 -14.340 1.00 0.00 H new ATOM 0 HG2 GLU B 45 11.297 8.248 -14.170 1.00 0.00 H new ATOM 0 HG3 GLU B 45 10.293 8.171 -15.605 1.00 0.00 H new ATOM 1597 N THR B 46 8.532 11.661 -12.338 1.00 0.00 N ATOM 1598 CA THR B 46 8.490 13.128 -12.125 1.00 0.00 C ATOM 1599 C THR B 46 9.172 13.549 -10.815 1.00 0.00 C ATOM 1600 O THR B 46 9.922 14.525 -10.786 1.00 0.00 O ATOM 1601 CB THR B 46 7.040 13.645 -12.147 1.00 0.00 C ATOM 1602 OG1 THR B 46 6.432 13.384 -13.396 1.00 0.00 O ATOM 1603 CG2 THR B 46 6.905 15.150 -11.904 1.00 0.00 C ATOM 0 H THR B 46 7.609 11.248 -12.476 1.00 0.00 H new ATOM 0 HA THR B 46 9.046 13.577 -12.948 1.00 0.00 H new ATOM 0 HB THR B 46 6.553 13.113 -11.330 1.00 0.00 H new ATOM 0 HG1 THR B 46 6.256 12.424 -13.480 1.00 0.00 H new ATOM 0 HG21 THR B 46 5.852 15.431 -11.936 1.00 0.00 H new ATOM 0 HG22 THR B 46 7.318 15.399 -10.926 1.00 0.00 H new ATOM 0 HG23 THR B 46 7.449 15.694 -12.677 1.00 0.00 H new ATOM 1611 N ILE B 47 8.968 12.778 -9.743 1.00 0.00 N ATOM 1612 CA ILE B 47 9.611 12.922 -8.423 1.00 0.00 C ATOM 1613 C ILE B 47 11.149 12.763 -8.429 1.00 0.00 C ATOM 1614 O ILE B 47 11.830 13.183 -7.491 1.00 0.00 O ATOM 1615 CB ILE B 47 8.861 11.999 -7.419 1.00 0.00 C ATOM 1616 CG1 ILE B 47 7.535 12.673 -6.999 1.00 0.00 C ATOM 1617 CG2 ILE B 47 9.669 11.601 -6.177 1.00 0.00 C ATOM 1618 CD1 ILE B 47 6.548 11.744 -6.277 1.00 0.00 C ATOM 0 H ILE B 47 8.316 11.994 -9.768 1.00 0.00 H new ATOM 0 HA ILE B 47 9.511 13.956 -8.093 1.00 0.00 H new ATOM 0 HB ILE B 47 8.678 11.064 -7.949 1.00 0.00 H new ATOM 0 HG12 ILE B 47 7.762 13.517 -6.348 1.00 0.00 H new ATOM 0 HG13 ILE B 47 7.050 13.077 -7.888 1.00 0.00 H new ATOM 0 HG21 ILE B 47 9.062 10.959 -5.539 1.00 0.00 H new ATOM 0 HG22 ILE B 47 10.567 11.064 -6.484 1.00 0.00 H new ATOM 0 HG23 ILE B 47 9.953 12.497 -5.625 1.00 0.00 H new ATOM 0 HD11 ILE B 47 5.647 12.300 -6.020 1.00 0.00 H new ATOM 0 HD12 ILE B 47 6.287 10.912 -6.931 1.00 0.00 H new ATOM 0 HD13 ILE B 47 7.009 11.359 -5.367 1.00 0.00 H new ATOM 1630 N ASN B 48 11.708 12.247 -9.520 1.00 0.00 N ATOM 1631 CA ASN B 48 13.149 12.029 -9.723 1.00 0.00 C ATOM 1632 C ASN B 48 13.788 12.980 -10.753 1.00 0.00 C ATOM 1633 O ASN B 48 14.870 13.518 -10.505 1.00 0.00 O ATOM 1634 CB ASN B 48 13.373 10.549 -10.082 1.00 0.00 C ATOM 1635 CG ASN B 48 14.834 10.208 -10.340 1.00 0.00 C ATOM 1636 OD1 ASN B 48 15.225 9.834 -11.436 1.00 0.00 O ATOM 1637 ND2 ASN B 48 15.693 10.321 -9.350 1.00 0.00 N ATOM 0 H ASN B 48 11.152 11.955 -10.324 1.00 0.00 H new ATOM 0 HA ASN B 48 13.660 12.268 -8.791 1.00 0.00 H new ATOM 0 HB2 ASN B 48 12.999 9.925 -9.271 1.00 0.00 H new ATOM 0 HB3 ASN B 48 12.788 10.304 -10.968 1.00 0.00 H new ATOM 0 HD21 ASN B 48 16.677 10.097 -9.500 1.00 0.00 H new ATOM 0 HD22 ASN B 48 15.375 10.632 -8.432 1.00 0.00 H new ATOM 1644 N GLY B 49 13.076 13.206 -11.859 1.00 0.00 N ATOM 1645 CA GLY B 49 13.398 14.067 -13.017 1.00 0.00 C ATOM 1646 C GLY B 49 14.886 14.313 -13.299 1.00 0.00 C ATOM 1647 O GLY B 49 15.581 13.365 -13.729 1.00 0.00 O ATOM 1648 OXT GLY B 49 15.333 15.472 -13.145 1.00 0.00 O ATOM 0 H GLY B 49 12.172 12.751 -11.986 1.00 0.00 H new ATOM 0 HA2 GLY B 49 12.952 13.622 -13.906 1.00 0.00 H new ATOM 0 HA3 GLY B 49 12.916 15.033 -12.868 1.00 0.00 H new TER 1652 GLY B 49 HETATM 1653 ZN ZN A 50 -1.535 -0.554 -4.645 1.00 0.00 ZN HETATM 1654 ZN ZN B 150 1.105 2.515 -6.196 1.00 0.00 ZN