USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 631 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0 (180deg=-0.0234) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 161:sc= -0.145 (180deg=-0.564) USER MOD Single : A 7 GLN : amide:sc= -0.0117 K(o=-0.012,f=-1.2) USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= 0.917 (180deg=0.87) USER MOD Single : A 15 LYS NZ :NH3+ 151:sc= -0.194 (180deg=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= -0.0896 (180deg=-0.48) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0012 USER MOD Single : A 25 SER OG : rot 180:sc=-0.00296 USER MOD Single : A 26 GLN : amide:sc= -0.483 K(o=-0.48,f=-2.2) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 40 ASN : amide:sc= -0.074 X(o=-0.074,f=0) USER MOD Single : A 42 ASN : amide:sc= 0.239 K(o=0.24,f=-4.9!) USER MOD Single : A 43 GLN : amide:sc= -1.4! X(o=-1.4!,f=-1.7) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -78:sc= 0.728 USER MOD Single : A 49 MET CE :methyl -164:sc= -0.0254 (180deg=-0.74) USER MOD Single : A 51 THR OG1 : rot 76:sc= 0.553 USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -0.383 (180deg=-1.44!) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00746 USER MOD Single : A 60 ASN : amide:sc= 0.647 K(o=0.65,f=-6!) USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= -0.0214 (180deg=-0.175) USER MOD Single : A 63 MET CE :methyl 144:sc= -0.208 (180deg=-0.792) USER MOD Single : A 65 MET CE :methyl -134:sc= 0 (180deg=-0.0445) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.23 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.918 11.244 4.135 1.00 10.84 N ATOM 2 CA MET A 1 -19.653 9.979 4.872 1.00 10.16 C ATOM 3 C MET A 1 -20.741 9.721 5.920 1.00 9.27 C ATOM 4 O MET A 1 -20.778 10.384 6.960 1.00 9.22 O ATOM 5 CB MET A 1 -18.266 10.082 5.541 1.00 10.59 C ATOM 6 CG MET A 1 -17.104 9.883 4.576 1.00 11.48 C ATOM 7 SD MET A 1 -15.518 10.371 5.281 1.00 11.94 S ATOM 8 CE MET A 1 -14.560 10.675 3.794 1.00 12.56 C ATOM 0 H1 MET A 1 -19.859 11.068 3.112 1.00 10.84 H new ATOM 0 H2 MET A 1 -20.869 11.591 4.372 1.00 10.84 H new ATOM 0 H3 MET A 1 -19.212 11.958 4.405 1.00 10.84 H new ATOM 0 HA MET A 1 -19.665 9.141 4.175 1.00 10.16 H new ATOM 0 HB2 MET A 1 -18.172 11.060 6.012 1.00 10.59 H new ATOM 0 HB3 MET A 1 -18.199 9.338 6.335 1.00 10.59 H new ATOM 0 HG2 MET A 1 -17.058 8.835 4.281 1.00 11.48 H new ATOM 0 HG3 MET A 1 -17.287 10.461 3.670 1.00 11.48 H new ATOM 0 HE1 MET A 1 -13.552 10.986 4.068 1.00 12.56 H new ATOM 0 HE2 MET A 1 -14.509 9.762 3.201 1.00 12.56 H new ATOM 0 HE3 MET A 1 -15.036 11.462 3.209 1.00 12.56 H new ATOM 20 N ARG A 2 -21.625 8.754 5.640 1.00 8.82 N ATOM 21 CA ARG A 2 -22.727 8.397 6.551 1.00 8.17 C ATOM 22 C ARG A 2 -22.402 7.132 7.362 1.00 7.58 C ATOM 23 O ARG A 2 -23.255 6.256 7.531 1.00 7.72 O ATOM 24 CB ARG A 2 -24.021 8.184 5.753 1.00 8.58 C ATOM 25 CG ARG A 2 -24.543 9.443 5.066 1.00 9.29 C ATOM 26 CD ARG A 2 -25.859 9.919 5.671 1.00 9.46 C ATOM 27 NE ARG A 2 -25.723 10.276 7.090 1.00 9.75 N ATOM 28 CZ ARG A 2 -25.243 11.444 7.530 1.00 10.18 C ATOM 29 NH1 ARG A 2 -24.846 12.375 6.675 1.00 10.36 N ATOM 30 NH2 ARG A 2 -25.157 11.671 8.837 1.00 10.67 N ATOM 0 H ARG A 2 -21.600 8.200 4.784 1.00 8.82 H new ATOM 0 HA ARG A 2 -22.860 9.222 7.251 1.00 8.17 H new ATOM 0 HB2 ARG A 2 -23.848 7.416 4.999 1.00 8.58 H new ATOM 0 HB3 ARG A 2 -24.791 7.803 6.424 1.00 8.58 H new ATOM 0 HG2 ARG A 2 -23.799 10.235 5.147 1.00 9.29 H new ATOM 0 HG3 ARG A 2 -24.683 9.245 4.003 1.00 9.29 H new ATOM 0 HD2 ARG A 2 -26.221 10.783 5.114 1.00 9.46 H new ATOM 0 HD3 ARG A 2 -26.609 9.135 5.566 1.00 9.46 H new ATOM 0 HE ARG A 2 -26.014 9.588 7.785 1.00 9.75 H new ATOM 0 HH11 ARG A 2 -24.905 12.204 5.671 1.00 10.36 H new ATOM 0 HH12 ARG A 2 -24.481 13.263 7.021 1.00 10.36 H new ATOM 0 HH21 ARG A 2 -25.456 10.956 9.500 1.00 10.67 H new ATOM 0 HH22 ARG A 2 -24.791 12.560 9.177 1.00 10.67 H new ATOM 44 N SER A 3 -21.168 7.054 7.860 1.00 7.20 N ATOM 45 CA SER A 3 -20.683 5.921 8.669 1.00 6.89 C ATOM 46 C SER A 3 -20.457 4.653 7.827 1.00 5.94 C ATOM 47 O SER A 3 -19.349 4.110 7.794 1.00 6.02 O ATOM 48 CB SER A 3 -21.630 5.621 9.847 1.00 7.63 C ATOM 49 OG SER A 3 -21.962 6.807 10.560 1.00 8.43 O ATOM 0 H SER A 3 -20.465 7.779 7.715 1.00 7.20 H new ATOM 0 HA SER A 3 -19.716 6.225 9.071 1.00 6.89 H new ATOM 0 HB2 SER A 3 -22.540 5.152 9.474 1.00 7.63 H new ATOM 0 HB3 SER A 3 -21.158 4.908 10.523 1.00 7.63 H new ATOM 0 HG SER A 3 -22.565 6.586 11.300 1.00 8.43 H new ATOM 55 N SER A 4 -21.518 4.169 7.174 1.00 5.38 N ATOM 56 CA SER A 4 -21.448 2.959 6.348 1.00 4.74 C ATOM 57 C SER A 4 -20.691 3.228 5.043 1.00 4.08 C ATOM 58 O SER A 4 -21.221 3.863 4.128 1.00 4.43 O ATOM 59 CB SER A 4 -22.861 2.434 6.036 1.00 5.40 C ATOM 60 OG SER A 4 -23.713 2.510 7.173 1.00 6.32 O ATOM 0 H SER A 4 -22.442 4.600 7.202 1.00 5.38 H new ATOM 0 HA SER A 4 -20.906 2.201 6.913 1.00 4.74 H new ATOM 0 HB2 SER A 4 -23.292 3.012 5.219 1.00 5.40 H new ATOM 0 HB3 SER A 4 -22.798 1.400 5.696 1.00 5.40 H new ATOM 0 HG SER A 4 -24.602 2.170 6.939 1.00 6.32 H new ATOM 66 N ALA A 5 -19.451 2.747 4.978 1.00 3.63 N ATOM 67 CA ALA A 5 -18.599 2.903 3.795 1.00 3.45 C ATOM 68 C ALA A 5 -18.281 1.525 3.203 1.00 2.57 C ATOM 69 O ALA A 5 -17.596 0.718 3.834 1.00 2.77 O ATOM 70 CB ALA A 5 -17.318 3.666 4.158 1.00 4.25 C ATOM 0 H ALA A 5 -19.006 2.238 5.742 1.00 3.63 H new ATOM 0 HA ALA A 5 -19.128 3.486 3.041 1.00 3.45 H new ATOM 0 HB1 ALA A 5 -16.695 3.774 3.270 1.00 4.25 H new ATOM 0 HB2 ALA A 5 -17.578 4.653 4.541 1.00 4.25 H new ATOM 0 HB3 ALA A 5 -16.769 3.114 4.921 1.00 4.25 H new ATOM 76 N LYS A 6 -18.821 1.244 2.013 1.00 2.17 N ATOM 77 CA LYS A 6 -18.629 -0.056 1.350 1.00 1.92 C ATOM 78 C LYS A 6 -17.183 -0.237 0.871 1.00 1.64 C ATOM 79 O LYS A 6 -16.787 0.297 -0.168 1.00 2.32 O ATOM 80 CB LYS A 6 -19.607 -0.202 0.174 1.00 2.86 C ATOM 81 CG LYS A 6 -21.067 -0.345 0.609 1.00 3.45 C ATOM 82 CD LYS A 6 -21.774 -1.488 -0.118 1.00 4.36 C ATOM 83 CE LYS A 6 -21.361 -2.860 0.414 1.00 5.20 C ATOM 84 NZ LYS A 6 -21.596 -3.001 1.876 1.00 5.61 N ATOM 0 H LYS A 6 -19.397 1.900 1.485 1.00 2.17 H new ATOM 0 HA LYS A 6 -18.834 -0.838 2.082 1.00 1.92 H new ATOM 0 HB2 LYS A 6 -19.513 0.668 -0.476 1.00 2.86 H new ATOM 0 HB3 LYS A 6 -19.325 -1.074 -0.417 1.00 2.86 H new ATOM 0 HG2 LYS A 6 -21.109 -0.519 1.684 1.00 3.45 H new ATOM 0 HG3 LYS A 6 -21.595 0.589 0.416 1.00 3.45 H new ATOM 0 HD2 LYS A 6 -22.852 -1.370 -0.013 1.00 4.36 H new ATOM 0 HD3 LYS A 6 -21.550 -1.432 -1.183 1.00 4.36 H new ATOM 0 HE2 LYS A 6 -21.917 -3.633 -0.116 1.00 5.20 H new ATOM 0 HE3 LYS A 6 -20.305 -3.025 0.202 1.00 5.20 H new ATOM 0 HZ1 LYS A 6 -21.612 -4.010 2.129 1.00 5.61 H new ATOM 0 HZ2 LYS A 6 -20.833 -2.525 2.398 1.00 5.61 H new ATOM 0 HZ3 LYS A 6 -22.508 -2.567 2.124 1.00 5.61 H new ATOM 98 N GLN A 7 -16.401 -0.966 1.677 1.00 1.12 N ATOM 99 CA GLN A 7 -14.987 -1.262 1.401 1.00 0.87 C ATOM 100 C GLN A 7 -14.129 -0.002 1.167 1.00 0.74 C ATOM 101 O GLN A 7 -13.016 -0.094 0.642 1.00 0.75 O ATOM 102 CB GLN A 7 -14.855 -2.258 0.234 1.00 1.05 C ATOM 103 CG GLN A 7 -14.271 -3.600 0.675 1.00 1.31 C ATOM 104 CD GLN A 7 -13.748 -4.448 -0.469 1.00 1.15 C ATOM 105 OE1 GLN A 7 -13.753 -4.028 -1.627 1.00 1.76 O ATOM 106 NE2 GLN A 7 -13.277 -5.643 -0.149 1.00 1.09 N ATOM 0 H GLN A 7 -16.735 -1.373 2.551 1.00 1.12 H new ATOM 0 HA GLN A 7 -14.588 -1.726 2.303 1.00 0.87 H new ATOM 0 HB2 GLN A 7 -15.836 -2.421 -0.213 1.00 1.05 H new ATOM 0 HB3 GLN A 7 -14.220 -1.825 -0.539 1.00 1.05 H new ATOM 0 HG2 GLN A 7 -13.460 -3.418 1.380 1.00 1.31 H new ATOM 0 HG3 GLN A 7 -15.038 -4.161 1.209 1.00 1.31 H new ATOM 0 HE21 GLN A 7 -13.291 -5.953 0.823 1.00 1.09 H new ATOM 0 HE22 GLN A 7 -12.900 -6.253 -0.874 1.00 1.09 H new ATOM 115 N GLU A 8 -14.606 1.150 1.641 1.00 0.74 N ATOM 116 CA GLU A 8 -13.854 2.409 1.549 1.00 0.76 C ATOM 117 C GLU A 8 -12.807 2.489 2.671 1.00 0.68 C ATOM 118 O GLU A 8 -12.560 3.554 3.235 1.00 0.98 O ATOM 119 CB GLU A 8 -14.824 3.599 1.611 1.00 0.92 C ATOM 120 CG GLU A 8 -15.316 4.055 0.244 1.00 1.50 C ATOM 121 CD GLU A 8 -14.438 5.131 -0.365 1.00 1.93 C ATOM 122 OE1 GLU A 8 -13.250 4.856 -0.618 1.00 2.24 O ATOM 123 OE2 GLU A 8 -14.926 6.262 -0.554 1.00 2.61 O ATOM 0 H GLU A 8 -15.515 1.240 2.096 1.00 0.74 H new ATOM 0 HA GLU A 8 -13.326 2.444 0.596 1.00 0.76 H new ATOM 0 HB2 GLU A 8 -15.683 3.326 2.225 1.00 0.92 H new ATOM 0 HB3 GLU A 8 -14.330 4.434 2.108 1.00 0.92 H new ATOM 0 HG2 GLU A 8 -15.353 3.198 -0.429 1.00 1.50 H new ATOM 0 HG3 GLU A 8 -16.335 4.432 0.336 1.00 1.50 H new ATOM 130 N GLU A 9 -12.211 1.341 2.988 1.00 0.41 N ATOM 131 CA GLU A 9 -11.187 1.232 4.027 1.00 0.38 C ATOM 132 C GLU A 9 -9.902 0.652 3.439 1.00 0.34 C ATOM 133 O GLU A 9 -8.805 1.100 3.779 1.00 0.43 O ATOM 134 CB GLU A 9 -11.688 0.357 5.185 1.00 0.42 C ATOM 135 CG GLU A 9 -12.778 1.016 6.031 1.00 0.62 C ATOM 136 CD GLU A 9 -12.221 1.899 7.132 1.00 1.46 C ATOM 137 OE1 GLU A 9 -11.899 1.368 8.210 1.00 2.23 O ATOM 138 OE2 GLU A 9 -12.070 3.114 6.905 1.00 2.19 O ATOM 0 H GLU A 9 -12.426 0.456 2.529 1.00 0.41 H new ATOM 0 HA GLU A 9 -10.976 2.228 4.415 1.00 0.38 H new ATOM 0 HB2 GLU A 9 -12.072 -0.580 4.780 1.00 0.42 H new ATOM 0 HB3 GLU A 9 -10.845 0.105 5.828 1.00 0.42 H new ATOM 0 HG2 GLU A 9 -13.421 1.613 5.384 1.00 0.62 H new ATOM 0 HG3 GLU A 9 -13.403 0.242 6.475 1.00 0.62 H new ATOM 145 N LEU A 10 -10.054 -0.300 2.497 1.00 0.28 N ATOM 146 CA LEU A 10 -8.917 -0.945 1.807 1.00 0.29 C ATOM 147 C LEU A 10 -7.933 0.091 1.252 1.00 0.26 C ATOM 148 O LEU A 10 -6.722 -0.119 1.281 1.00 0.30 O ATOM 149 CB LEU A 10 -9.430 -1.853 0.671 1.00 0.35 C ATOM 150 CG LEU A 10 -8.345 -2.579 -0.146 1.00 0.35 C ATOM 151 CD1 LEU A 10 -7.456 -3.405 0.772 1.00 0.60 C ATOM 152 CD2 LEU A 10 -8.968 -3.468 -1.218 1.00 1.01 C ATOM 0 H LEU A 10 -10.965 -0.643 2.193 1.00 0.28 H new ATOM 0 HA LEU A 10 -8.384 -1.552 2.539 1.00 0.29 H new ATOM 0 HB2 LEU A 10 -10.096 -2.601 1.101 1.00 0.35 H new ATOM 0 HB3 LEU A 10 -10.028 -1.248 -0.011 1.00 0.35 H new ATOM 0 HG LEU A 10 -7.735 -1.825 -0.643 1.00 0.35 H new ATOM 0 HD11 LEU A 10 -6.694 -3.912 0.181 1.00 0.60 H new ATOM 0 HD12 LEU A 10 -6.975 -2.750 1.499 1.00 0.60 H new ATOM 0 HD13 LEU A 10 -8.061 -4.145 1.295 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -8.179 -3.968 -1.779 1.00 1.01 H new ATOM 0 HD22 LEU A 10 -9.606 -4.215 -0.746 1.00 1.01 H new ATOM 0 HD23 LEU A 10 -9.564 -2.857 -1.896 1.00 1.01 H new ATOM 164 N VAL A 11 -8.462 1.230 0.797 1.00 0.26 N ATOM 165 CA VAL A 11 -7.624 2.320 0.292 1.00 0.29 C ATOM 166 C VAL A 11 -6.879 3.021 1.441 1.00 0.29 C ATOM 167 O VAL A 11 -5.679 3.240 1.340 1.00 0.37 O ATOM 168 CB VAL A 11 -8.443 3.352 -0.534 1.00 0.36 C ATOM 169 CG1 VAL A 11 -7.643 4.628 -0.792 1.00 0.43 C ATOM 170 CG2 VAL A 11 -8.890 2.739 -1.856 1.00 0.49 C ATOM 0 H VAL A 11 -9.464 1.421 0.768 1.00 0.26 H new ATOM 0 HA VAL A 11 -6.890 1.872 -0.378 1.00 0.29 H new ATOM 0 HB VAL A 11 -9.322 3.620 0.052 1.00 0.36 H new ATOM 0 HG11 VAL A 11 -8.248 5.325 -1.372 1.00 0.43 H new ATOM 0 HG12 VAL A 11 -7.372 5.086 0.159 1.00 0.43 H new ATOM 0 HG13 VAL A 11 -6.738 4.384 -1.348 1.00 0.43 H new ATOM 0 HG21 VAL A 11 -9.462 3.474 -2.423 1.00 0.49 H new ATOM 0 HG22 VAL A 11 -8.015 2.438 -2.432 1.00 0.49 H new ATOM 0 HG23 VAL A 11 -9.513 1.866 -1.660 1.00 0.49 H new ATOM 180 N LYS A 12 -7.578 3.355 2.543 1.00 0.26 N ATOM 181 CA LYS A 12 -6.924 4.006 3.701 1.00 0.30 C ATOM 182 C LYS A 12 -5.813 3.121 4.263 1.00 0.27 C ATOM 183 O LYS A 12 -4.716 3.596 4.574 1.00 0.32 O ATOM 184 CB LYS A 12 -7.936 4.325 4.813 1.00 0.38 C ATOM 185 CG LYS A 12 -8.835 5.511 4.506 1.00 1.15 C ATOM 186 CD LYS A 12 -10.217 5.053 4.085 1.00 2.01 C ATOM 187 CE LYS A 12 -11.050 6.207 3.529 1.00 2.92 C ATOM 188 NZ LYS A 12 -11.584 5.928 2.169 1.00 3.46 N ATOM 0 H LYS A 12 -8.578 3.190 2.658 1.00 0.26 H new ATOM 0 HA LYS A 12 -6.494 4.942 3.344 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -8.557 3.447 4.988 1.00 0.38 H new ATOM 0 HB3 LYS A 12 -7.394 4.522 5.738 1.00 0.38 H new ATOM 0 HG2 LYS A 12 -8.912 6.150 5.386 1.00 1.15 H new ATOM 0 HG3 LYS A 12 -8.391 6.113 3.713 1.00 1.15 H new ATOM 0 HD2 LYS A 12 -10.127 4.272 3.330 1.00 2.01 H new ATOM 0 HD3 LYS A 12 -10.730 4.612 4.940 1.00 2.01 H new ATOM 0 HE2 LYS A 12 -11.880 6.409 4.206 1.00 2.92 H new ATOM 0 HE3 LYS A 12 -10.438 7.108 3.496 1.00 2.92 H new ATOM 0 HZ1 LYS A 12 -12.261 6.671 1.903 1.00 3.46 H new ATOM 0 HZ2 LYS A 12 -10.801 5.912 1.485 1.00 3.46 H new ATOM 0 HZ3 LYS A 12 -12.064 5.005 2.167 1.00 3.46 H new ATOM 202 N ALA A 13 -6.104 1.823 4.344 1.00 0.25 N ATOM 203 CA ALA A 13 -5.128 0.831 4.801 1.00 0.26 C ATOM 204 C ALA A 13 -3.922 0.773 3.851 1.00 0.22 C ATOM 205 O ALA A 13 -2.782 0.823 4.299 1.00 0.22 O ATOM 206 CB ALA A 13 -5.777 -0.546 4.930 1.00 0.30 C ATOM 0 H ALA A 13 -7.013 1.431 4.098 1.00 0.25 H new ATOM 0 HA ALA A 13 -4.772 1.136 5.785 1.00 0.26 H new ATOM 0 HB1 ALA A 13 -5.035 -1.268 5.271 1.00 0.30 H new ATOM 0 HB2 ALA A 13 -6.593 -0.497 5.651 1.00 0.30 H new ATOM 0 HB3 ALA A 13 -6.167 -0.857 3.961 1.00 0.30 H new ATOM 212 N PHE A 14 -4.192 0.737 2.535 1.00 0.21 N ATOM 213 CA PHE A 14 -3.130 0.690 1.512 1.00 0.19 C ATOM 214 C PHE A 14 -2.154 1.869 1.645 1.00 0.17 C ATOM 215 O PHE A 14 -0.949 1.663 1.829 1.00 0.21 O ATOM 216 CB PHE A 14 -3.733 0.663 0.095 1.00 0.19 C ATOM 217 CG PHE A 14 -2.766 0.159 -0.935 1.00 0.17 C ATOM 218 CD1 PHE A 14 -2.564 -1.204 -1.102 1.00 1.16 C ATOM 219 CD2 PHE A 14 -2.027 1.041 -1.703 1.00 1.22 C ATOM 220 CE1 PHE A 14 -1.668 -1.672 -2.032 1.00 1.17 C ATOM 221 CE2 PHE A 14 -1.121 0.572 -2.632 1.00 1.21 C ATOM 222 CZ PHE A 14 -0.944 -0.786 -2.792 1.00 0.16 C ATOM 0 H PHE A 14 -5.138 0.740 2.153 1.00 0.21 H new ATOM 0 HA PHE A 14 -2.570 -0.230 1.677 1.00 0.19 H new ATOM 0 HB2 PHE A 14 -4.621 0.031 0.094 1.00 0.19 H new ATOM 0 HB3 PHE A 14 -4.057 1.668 -0.177 1.00 0.19 H new ATOM 0 HD1 PHE A 14 -3.117 -1.904 -0.494 1.00 1.16 H new ATOM 0 HD2 PHE A 14 -2.160 2.105 -1.574 1.00 1.22 H new ATOM 0 HE1 PHE A 14 -1.533 -2.735 -2.165 1.00 1.17 H new ATOM 0 HE2 PHE A 14 -0.552 1.267 -3.232 1.00 1.21 H new ATOM 0 HZ PHE A 14 -0.234 -1.154 -3.517 1.00 0.16 H new ATOM 232 N LYS A 15 -2.684 3.103 1.598 1.00 0.17 N ATOM 233 CA LYS A 15 -1.860 4.312 1.734 1.00 0.17 C ATOM 234 C LYS A 15 -1.012 4.287 3.018 1.00 0.14 C ATOM 235 O LYS A 15 0.172 4.612 2.989 1.00 0.14 O ATOM 236 CB LYS A 15 -2.745 5.579 1.744 1.00 0.25 C ATOM 237 CG LYS A 15 -3.797 5.634 0.642 1.00 0.64 C ATOM 238 CD LYS A 15 -3.194 5.940 -0.721 1.00 0.58 C ATOM 239 CE LYS A 15 -3.695 7.265 -1.312 1.00 0.82 C ATOM 240 NZ LYS A 15 -3.761 8.369 -0.307 1.00 0.93 N ATOM 0 H LYS A 15 -3.679 3.287 1.467 1.00 0.17 H new ATOM 0 HA LYS A 15 -1.191 4.334 0.874 1.00 0.17 H new ATOM 0 HB2 LYS A 15 -3.247 5.647 2.709 1.00 0.25 H new ATOM 0 HB3 LYS A 15 -2.102 6.455 1.657 1.00 0.25 H new ATOM 0 HG2 LYS A 15 -4.323 4.680 0.598 1.00 0.64 H new ATOM 0 HG3 LYS A 15 -4.537 6.395 0.888 1.00 0.64 H new ATOM 0 HD2 LYS A 15 -2.108 5.975 -0.633 1.00 0.58 H new ATOM 0 HD3 LYS A 15 -3.432 5.128 -1.408 1.00 0.58 H new ATOM 0 HE2 LYS A 15 -3.037 7.564 -2.128 1.00 0.82 H new ATOM 0 HE3 LYS A 15 -4.685 7.113 -1.741 1.00 0.82 H new ATOM 0 HZ1 LYS A 15 -3.617 9.282 -0.784 1.00 0.93 H new ATOM 0 HZ2 LYS A 15 -4.693 8.363 0.155 1.00 0.93 H new ATOM 0 HZ3 LYS A 15 -3.019 8.232 0.409 1.00 0.93 H new ATOM 254 N ALA A 16 -1.637 3.891 4.132 1.00 0.15 N ATOM 255 CA ALA A 16 -0.967 3.816 5.440 1.00 0.16 C ATOM 256 C ALA A 16 0.207 2.825 5.434 1.00 0.15 C ATOM 257 O ALA A 16 1.306 3.168 5.864 1.00 0.18 O ATOM 258 CB ALA A 16 -1.969 3.443 6.529 1.00 0.20 C ATOM 0 H ALA A 16 -2.618 3.614 4.155 1.00 0.15 H new ATOM 0 HA ALA A 16 -0.557 4.804 5.651 1.00 0.16 H new ATOM 0 HB1 ALA A 16 -1.459 3.391 7.491 1.00 0.20 H new ATOM 0 HB2 ALA A 16 -2.754 4.198 6.575 1.00 0.20 H new ATOM 0 HB3 ALA A 16 -2.411 2.473 6.300 1.00 0.20 H new ATOM 264 N LEU A 17 -0.027 1.605 4.926 1.00 0.15 N ATOM 265 CA LEU A 17 1.019 0.563 4.847 1.00 0.17 C ATOM 266 C LEU A 17 2.268 1.073 4.118 1.00 0.15 C ATOM 267 O LEU A 17 3.395 0.863 4.569 1.00 0.19 O ATOM 268 CB LEU A 17 0.492 -0.686 4.123 1.00 0.21 C ATOM 269 CG LEU A 17 -0.589 -1.483 4.866 1.00 0.25 C ATOM 270 CD1 LEU A 17 -0.712 -2.879 4.273 1.00 0.27 C ATOM 271 CD2 LEU A 17 -0.307 -1.562 6.366 1.00 0.33 C ATOM 0 H LEU A 17 -0.933 1.311 4.562 1.00 0.15 H new ATOM 0 HA LEU A 17 1.289 0.305 5.871 1.00 0.17 H new ATOM 0 HB2 LEU A 17 0.091 -0.380 3.156 1.00 0.21 H new ATOM 0 HB3 LEU A 17 1.334 -1.350 3.924 1.00 0.21 H new ATOM 0 HG LEU A 17 -1.535 -0.956 4.740 1.00 0.25 H new ATOM 0 HD11 LEU A 17 -1.482 -3.435 4.808 1.00 0.27 H new ATOM 0 HD12 LEU A 17 -0.984 -2.804 3.220 1.00 0.27 H new ATOM 0 HD13 LEU A 17 0.242 -3.399 4.365 1.00 0.27 H new ATOM 0 HD21 LEU A 17 -1.095 -2.134 6.855 1.00 0.33 H new ATOM 0 HD22 LEU A 17 0.653 -2.052 6.531 1.00 0.33 H new ATOM 0 HD23 LEU A 17 -0.277 -0.556 6.784 1.00 0.33 H new ATOM 283 N LEU A 18 2.045 1.753 2.991 1.00 0.12 N ATOM 284 CA LEU A 18 3.138 2.321 2.192 1.00 0.12 C ATOM 285 C LEU A 18 3.804 3.500 2.911 1.00 0.13 C ATOM 286 O LEU A 18 5.027 3.554 3.039 1.00 0.15 O ATOM 287 CB LEU A 18 2.621 2.794 0.830 1.00 0.12 C ATOM 288 CG LEU A 18 1.898 1.739 -0.014 1.00 0.13 C ATOM 289 CD1 LEU A 18 1.088 2.422 -1.103 1.00 0.22 C ATOM 290 CD2 LEU A 18 2.888 0.745 -0.618 1.00 0.15 C ATOM 0 H LEU A 18 1.115 1.925 2.609 1.00 0.12 H new ATOM 0 HA LEU A 18 3.877 1.532 2.051 1.00 0.12 H new ATOM 0 HB2 LEU A 18 1.941 3.631 0.992 1.00 0.12 H new ATOM 0 HB3 LEU A 18 3.465 3.175 0.255 1.00 0.12 H new ATOM 0 HG LEU A 18 1.223 1.178 0.632 1.00 0.13 H new ATOM 0 HD11 LEU A 18 0.575 1.669 -1.701 1.00 0.22 H new ATOM 0 HD12 LEU A 18 0.353 3.086 -0.648 1.00 0.22 H new ATOM 0 HD13 LEU A 18 1.754 3.002 -1.742 1.00 0.22 H new ATOM 0 HD21 LEU A 18 2.347 0.008 -1.212 1.00 0.15 H new ATOM 0 HD22 LEU A 18 3.594 1.277 -1.255 1.00 0.15 H new ATOM 0 HD23 LEU A 18 3.430 0.240 0.182 1.00 0.15 H new ATOM 302 N LYS A 19 2.987 4.453 3.361 1.00 0.17 N ATOM 303 CA LYS A 19 3.476 5.669 4.023 1.00 0.21 C ATOM 304 C LYS A 19 4.201 5.380 5.354 1.00 0.24 C ATOM 305 O LYS A 19 4.985 6.205 5.820 1.00 0.32 O ATOM 306 CB LYS A 19 2.314 6.644 4.239 1.00 0.23 C ATOM 307 CG LYS A 19 1.787 7.251 2.939 1.00 0.25 C ATOM 308 CD LYS A 19 0.584 8.158 3.187 1.00 0.38 C ATOM 309 CE LYS A 19 0.780 9.551 2.596 1.00 0.80 C ATOM 310 NZ LYS A 19 1.991 10.231 3.128 1.00 1.39 N ATOM 0 H LYS A 19 1.971 4.407 3.279 1.00 0.17 H new ATOM 0 HA LYS A 19 4.217 6.121 3.364 1.00 0.21 H new ATOM 0 HB2 LYS A 19 1.501 6.124 4.745 1.00 0.23 H new ATOM 0 HB3 LYS A 19 2.640 7.446 4.901 1.00 0.23 H new ATOM 0 HG2 LYS A 19 2.580 7.822 2.456 1.00 0.25 H new ATOM 0 HG3 LYS A 19 1.506 6.453 2.252 1.00 0.25 H new ATOM 0 HD2 LYS A 19 -0.307 7.703 2.754 1.00 0.38 H new ATOM 0 HD3 LYS A 19 0.409 8.242 4.260 1.00 0.38 H new ATOM 0 HE2 LYS A 19 0.857 9.474 1.511 1.00 0.80 H new ATOM 0 HE3 LYS A 19 -0.098 10.160 2.811 1.00 0.80 H new ATOM 0 HZ1 LYS A 19 1.864 11.262 3.070 1.00 1.39 H new ATOM 0 HZ2 LYS A 19 2.137 9.955 4.120 1.00 1.39 H new ATOM 0 HZ3 LYS A 19 2.821 9.953 2.566 1.00 1.39 H new ATOM 324 N GLU A 20 3.953 4.205 5.947 1.00 0.26 N ATOM 325 CA GLU A 20 4.628 3.791 7.187 1.00 0.30 C ATOM 326 C GLU A 20 6.088 3.369 6.915 1.00 0.27 C ATOM 327 O GLU A 20 6.900 3.304 7.842 1.00 0.30 O ATOM 328 CB GLU A 20 3.858 2.632 7.854 1.00 0.39 C ATOM 329 CG GLU A 20 2.678 3.087 8.715 1.00 0.48 C ATOM 330 CD GLU A 20 1.853 1.933 9.255 1.00 1.05 C ATOM 331 OE1 GLU A 20 1.730 0.906 8.561 1.00 1.75 O ATOM 332 OE2 GLU A 20 1.325 2.053 10.379 1.00 1.76 O ATOM 0 H GLU A 20 3.287 3.521 5.587 1.00 0.26 H new ATOM 0 HA GLU A 20 4.642 4.646 7.862 1.00 0.30 H new ATOM 0 HB2 GLU A 20 3.492 1.959 7.079 1.00 0.39 H new ATOM 0 HB3 GLU A 20 4.548 2.059 8.474 1.00 0.39 H new ATOM 0 HG2 GLU A 20 3.053 3.679 9.550 1.00 0.48 H new ATOM 0 HG3 GLU A 20 2.035 3.740 8.124 1.00 0.48 H new ATOM 339 N GLU A 21 6.396 3.061 5.640 1.00 0.24 N ATOM 340 CA GLU A 21 7.743 2.650 5.201 1.00 0.26 C ATOM 341 C GLU A 21 8.195 1.349 5.884 1.00 0.28 C ATOM 342 O GLU A 21 8.929 1.377 6.875 1.00 0.42 O ATOM 343 CB GLU A 21 8.765 3.777 5.435 1.00 0.28 C ATOM 344 CG GLU A 21 8.328 5.125 4.866 1.00 0.33 C ATOM 345 CD GLU A 21 9.448 6.144 4.852 1.00 0.44 C ATOM 346 OE1 GLU A 21 10.413 5.956 4.089 1.00 1.19 O ATOM 347 OE2 GLU A 21 9.349 7.146 5.587 1.00 1.17 O ATOM 0 H GLU A 21 5.714 3.091 4.882 1.00 0.24 H new ATOM 0 HA GLU A 21 7.689 2.453 4.130 1.00 0.26 H new ATOM 0 HB2 GLU A 21 8.938 3.883 6.506 1.00 0.28 H new ATOM 0 HB3 GLU A 21 9.716 3.493 4.985 1.00 0.28 H new ATOM 0 HG2 GLU A 21 7.958 4.983 3.850 1.00 0.33 H new ATOM 0 HG3 GLU A 21 7.498 5.512 5.456 1.00 0.33 H new ATOM 354 N LYS A 22 7.707 0.220 5.366 1.00 0.24 N ATOM 355 CA LYS A 22 8.035 -1.107 5.904 1.00 0.27 C ATOM 356 C LYS A 22 8.193 -2.130 4.773 1.00 0.33 C ATOM 357 O LYS A 22 9.188 -2.856 4.700 1.00 0.74 O ATOM 358 CB LYS A 22 6.936 -1.562 6.885 1.00 0.37 C ATOM 359 CG LYS A 22 6.932 -3.065 7.191 1.00 0.95 C ATOM 360 CD LYS A 22 6.573 -3.358 8.642 1.00 1.24 C ATOM 361 CE LYS A 22 5.070 -3.531 8.846 1.00 1.69 C ATOM 362 NZ LYS A 22 4.369 -2.226 9.025 1.00 2.44 N ATOM 0 H LYS A 22 7.076 0.197 4.565 1.00 0.24 H new ATOM 0 HA LYS A 22 8.984 -1.040 6.437 1.00 0.27 H new ATOM 0 HB2 LYS A 22 7.054 -1.015 7.820 1.00 0.37 H new ATOM 0 HB3 LYS A 22 5.965 -1.286 6.475 1.00 0.37 H new ATOM 0 HG2 LYS A 22 6.220 -3.565 6.535 1.00 0.95 H new ATOM 0 HG3 LYS A 22 7.915 -3.481 6.971 1.00 0.95 H new ATOM 0 HD2 LYS A 22 7.087 -4.263 8.965 1.00 1.24 H new ATOM 0 HD3 LYS A 22 6.931 -2.545 9.273 1.00 1.24 H new ATOM 0 HE2 LYS A 22 4.647 -4.053 7.988 1.00 1.69 H new ATOM 0 HE3 LYS A 22 4.894 -4.158 9.720 1.00 1.69 H new ATOM 0 HZ1 LYS A 22 3.352 -2.394 9.160 1.00 2.44 H new ATOM 0 HZ2 LYS A 22 4.753 -1.737 9.859 1.00 2.44 H new ATOM 0 HZ3 LYS A 22 4.513 -1.636 8.181 1.00 2.44 H new ATOM 376 N PHE A 23 7.174 -2.207 3.920 1.00 0.25 N ATOM 377 CA PHE A 23 7.125 -3.187 2.829 1.00 0.25 C ATOM 378 C PHE A 23 8.013 -2.795 1.653 1.00 0.23 C ATOM 379 O PHE A 23 7.921 -1.682 1.142 1.00 0.30 O ATOM 380 CB PHE A 23 5.681 -3.338 2.355 1.00 0.36 C ATOM 381 CG PHE A 23 4.740 -3.583 3.499 1.00 0.34 C ATOM 382 CD1 PHE A 23 4.672 -4.832 4.091 1.00 1.22 C ATOM 383 CD2 PHE A 23 4.016 -2.545 4.055 1.00 1.25 C ATOM 384 CE1 PHE A 23 3.852 -5.055 5.176 1.00 1.21 C ATOM 385 CE2 PHE A 23 3.191 -2.763 5.141 1.00 1.27 C ATOM 386 CZ PHE A 23 3.109 -4.019 5.700 1.00 0.35 C ATOM 0 H PHE A 23 6.359 -1.595 3.962 1.00 0.25 H new ATOM 0 HA PHE A 23 7.503 -4.133 3.216 1.00 0.25 H new ATOM 0 HB2 PHE A 23 5.378 -2.437 1.822 1.00 0.36 H new ATOM 0 HB3 PHE A 23 5.616 -4.165 1.647 1.00 0.36 H new ATOM 0 HD1 PHE A 23 5.269 -5.642 3.698 1.00 1.22 H new ATOM 0 HD2 PHE A 23 4.096 -1.553 3.636 1.00 1.25 H new ATOM 0 HE1 PHE A 23 3.792 -6.040 5.615 1.00 1.21 H new ATOM 0 HE2 PHE A 23 2.611 -1.950 5.551 1.00 1.27 H new ATOM 0 HZ PHE A 23 2.463 -4.192 6.548 1.00 0.35 H new ATOM 396 N SER A 24 8.833 -3.740 1.205 1.00 0.22 N ATOM 397 CA SER A 24 9.744 -3.534 0.067 1.00 0.27 C ATOM 398 C SER A 24 9.247 -4.255 -1.197 1.00 0.26 C ATOM 399 O SER A 24 9.732 -3.987 -2.296 1.00 0.44 O ATOM 400 CB SER A 24 11.170 -3.997 0.435 1.00 0.37 C ATOM 401 OG SER A 24 11.157 -5.127 1.299 1.00 1.04 O ATOM 0 H SER A 24 8.890 -4.672 1.615 1.00 0.22 H new ATOM 0 HA SER A 24 9.765 -2.467 -0.155 1.00 0.27 H new ATOM 0 HB2 SER A 24 11.718 -4.243 -0.475 1.00 0.37 H new ATOM 0 HB3 SER A 24 11.704 -3.178 0.917 1.00 0.37 H new ATOM 0 HG SER A 24 12.078 -5.390 1.507 1.00 1.04 H new ATOM 407 N SER A 25 8.261 -5.137 -1.033 1.00 0.21 N ATOM 408 CA SER A 25 7.669 -5.876 -2.152 1.00 0.22 C ATOM 409 C SER A 25 6.142 -5.919 -2.016 1.00 0.20 C ATOM 410 O SER A 25 5.590 -5.585 -0.965 1.00 0.24 O ATOM 411 CB SER A 25 8.257 -7.298 -2.225 1.00 0.31 C ATOM 412 OG SER A 25 8.316 -7.912 -0.942 1.00 0.43 O ATOM 0 H SER A 25 7.851 -5.360 -0.126 1.00 0.21 H new ATOM 0 HA SER A 25 7.912 -5.360 -3.081 1.00 0.22 H new ATOM 0 HB2 SER A 25 7.649 -7.909 -2.893 1.00 0.31 H new ATOM 0 HB3 SER A 25 9.258 -7.256 -2.654 1.00 0.31 H new ATOM 0 HG SER A 25 8.692 -8.813 -1.027 1.00 0.43 H new ATOM 418 N GLN A 26 5.466 -6.314 -3.096 1.00 0.22 N ATOM 419 CA GLN A 26 3.999 -6.402 -3.126 1.00 0.23 C ATOM 420 C GLN A 26 3.476 -7.485 -2.169 1.00 0.27 C ATOM 421 O GLN A 26 2.711 -7.196 -1.257 1.00 0.44 O ATOM 422 CB GLN A 26 3.528 -6.703 -4.555 1.00 0.33 C ATOM 423 CG GLN A 26 4.280 -5.943 -5.646 1.00 0.48 C ATOM 424 CD GLN A 26 3.750 -6.233 -7.038 1.00 0.76 C ATOM 425 OE1 GLN A 26 3.062 -7.232 -7.260 1.00 1.53 O ATOM 426 NE2 GLN A 26 4.053 -5.354 -7.981 1.00 0.81 N ATOM 0 H GLN A 26 5.914 -6.581 -3.972 1.00 0.22 H new ATOM 0 HA GLN A 26 3.599 -5.443 -2.797 1.00 0.23 H new ATOM 0 HB2 GLN A 26 3.630 -7.772 -4.739 1.00 0.33 H new ATOM 0 HB3 GLN A 26 2.467 -6.466 -4.631 1.00 0.33 H new ATOM 0 HG2 GLN A 26 4.209 -4.873 -5.451 1.00 0.48 H new ATOM 0 HG3 GLN A 26 5.337 -6.206 -5.603 1.00 0.48 H new ATOM 0 HE21 GLN A 26 4.625 -4.540 -7.755 1.00 0.81 H new ATOM 0 HE22 GLN A 26 3.714 -5.490 -8.933 1.00 0.81 H new ATOM 435 N GLY A 27 3.932 -8.721 -2.380 1.00 0.23 N ATOM 436 CA GLY A 27 3.505 -9.881 -1.575 1.00 0.25 C ATOM 437 C GLY A 27 3.368 -9.630 -0.071 1.00 0.23 C ATOM 438 O GLY A 27 2.386 -10.058 0.549 1.00 0.30 O ATOM 0 H GLY A 27 4.606 -8.952 -3.110 1.00 0.23 H new ATOM 0 HA2 GLY A 27 2.545 -10.231 -1.955 1.00 0.25 H new ATOM 0 HA3 GLY A 27 4.221 -10.689 -1.726 1.00 0.25 H new ATOM 442 N GLU A 28 4.333 -8.920 0.515 1.00 0.22 N ATOM 443 CA GLU A 28 4.323 -8.642 1.956 1.00 0.25 C ATOM 444 C GLU A 28 3.150 -7.732 2.376 1.00 0.20 C ATOM 445 O GLU A 28 2.558 -7.942 3.436 1.00 0.24 O ATOM 446 CB GLU A 28 5.664 -8.034 2.385 1.00 0.34 C ATOM 447 CG GLU A 28 6.847 -8.980 2.168 1.00 0.96 C ATOM 448 CD GLU A 28 7.671 -9.209 3.417 1.00 1.05 C ATOM 449 OE1 GLU A 28 7.986 -8.225 4.110 1.00 1.59 O ATOM 450 OE2 GLU A 28 8.014 -10.371 3.703 1.00 1.62 O ATOM 0 H GLU A 28 5.131 -8.526 0.017 1.00 0.22 H new ATOM 0 HA GLU A 28 4.179 -9.593 2.469 1.00 0.25 H new ATOM 0 HB2 GLU A 28 5.835 -7.114 1.826 1.00 0.34 H new ATOM 0 HB3 GLU A 28 5.612 -7.762 3.439 1.00 0.34 H new ATOM 0 HG2 GLU A 28 6.475 -9.939 1.807 1.00 0.96 H new ATOM 0 HG3 GLU A 28 7.490 -8.573 1.387 1.00 0.96 H new ATOM 457 N ILE A 29 2.810 -6.733 1.546 1.00 0.17 N ATOM 458 CA ILE A 29 1.671 -5.844 1.837 1.00 0.15 C ATOM 459 C ILE A 29 0.333 -6.557 1.528 1.00 0.14 C ATOM 460 O ILE A 29 -0.683 -6.266 2.167 1.00 0.16 O ATOM 461 CB ILE A 29 1.785 -4.438 1.141 1.00 0.16 C ATOM 462 CG1 ILE A 29 0.430 -3.890 0.667 1.00 0.15 C ATOM 463 CG2 ILE A 29 2.769 -4.436 -0.020 1.00 0.23 C ATOM 464 CD1 ILE A 29 0.513 -2.475 0.124 1.00 0.16 C ATOM 0 H ILE A 29 3.300 -6.521 0.677 1.00 0.17 H new ATOM 0 HA ILE A 29 1.696 -5.628 2.905 1.00 0.15 H new ATOM 0 HB ILE A 29 2.165 -3.775 1.918 1.00 0.16 H new ATOM 0 HG12 ILE A 29 0.031 -4.546 -0.107 1.00 0.15 H new ATOM 0 HG13 ILE A 29 -0.274 -3.912 1.499 1.00 0.15 H new ATOM 0 HG21 ILE A 29 2.807 -3.441 -0.463 1.00 0.23 H new ATOM 0 HG22 ILE A 29 3.760 -4.710 0.342 1.00 0.23 H new ATOM 0 HG23 ILE A 29 2.446 -5.156 -0.772 1.00 0.23 H new ATOM 0 HD11 ILE A 29 -0.477 -2.148 -0.193 1.00 0.16 H new ATOM 0 HD12 ILE A 29 0.883 -1.808 0.902 1.00 0.16 H new ATOM 0 HD13 ILE A 29 1.193 -2.451 -0.728 1.00 0.16 H new ATOM 476 N VAL A 30 0.365 -7.574 0.641 1.00 0.14 N ATOM 477 CA VAL A 30 -0.823 -8.404 0.357 1.00 0.16 C ATOM 478 C VAL A 30 -1.284 -9.098 1.647 1.00 0.17 C ATOM 479 O VAL A 30 -2.460 -9.030 2.023 1.00 0.24 O ATOM 480 CB VAL A 30 -0.554 -9.491 -0.731 1.00 0.18 C ATOM 481 CG1 VAL A 30 -1.832 -10.262 -1.049 1.00 0.29 C ATOM 482 CG2 VAL A 30 0.024 -8.890 -2.009 1.00 0.23 C ATOM 0 H VAL A 30 1.196 -7.838 0.112 1.00 0.14 H new ATOM 0 HA VAL A 30 -1.594 -7.736 -0.026 1.00 0.16 H new ATOM 0 HB VAL A 30 0.187 -10.178 -0.321 1.00 0.18 H new ATOM 0 HG11 VAL A 30 -1.623 -11.015 -1.809 1.00 0.29 H new ATOM 0 HG12 VAL A 30 -2.197 -10.750 -0.145 1.00 0.29 H new ATOM 0 HG13 VAL A 30 -2.590 -9.572 -1.420 1.00 0.29 H new ATOM 0 HG21 VAL A 30 0.196 -9.682 -2.738 1.00 0.23 H new ATOM 0 HG22 VAL A 30 -0.678 -8.164 -2.420 1.00 0.23 H new ATOM 0 HG23 VAL A 30 0.968 -8.394 -1.783 1.00 0.23 H new ATOM 492 N ALA A 31 -0.325 -9.722 2.348 1.00 0.17 N ATOM 493 CA ALA A 31 -0.591 -10.379 3.633 1.00 0.21 C ATOM 494 C ALA A 31 -0.908 -9.353 4.728 1.00 0.21 C ATOM 495 O ALA A 31 -1.768 -9.589 5.576 1.00 0.26 O ATOM 496 CB ALA A 31 0.600 -11.236 4.055 1.00 0.25 C ATOM 0 H ALA A 31 0.646 -9.784 2.043 1.00 0.17 H new ATOM 0 HA ALA A 31 -1.462 -11.020 3.501 1.00 0.21 H new ATOM 0 HB1 ALA A 31 0.384 -11.715 5.010 1.00 0.25 H new ATOM 0 HB2 ALA A 31 0.784 -12.000 3.300 1.00 0.25 H new ATOM 0 HB3 ALA A 31 1.484 -10.606 4.157 1.00 0.25 H new ATOM 502 N ALA A 32 -0.229 -8.198 4.682 1.00 0.18 N ATOM 503 CA ALA A 32 -0.416 -7.129 5.675 1.00 0.20 C ATOM 504 C ALA A 32 -1.876 -6.656 5.768 1.00 0.18 C ATOM 505 O ALA A 32 -2.353 -6.316 6.849 1.00 0.24 O ATOM 506 CB ALA A 32 0.500 -5.953 5.371 1.00 0.21 C ATOM 0 H ALA A 32 0.460 -7.979 3.962 1.00 0.18 H new ATOM 0 HA ALA A 32 -0.153 -7.551 6.645 1.00 0.20 H new ATOM 0 HB1 ALA A 32 0.348 -5.172 6.116 1.00 0.21 H new ATOM 0 HB2 ALA A 32 1.538 -6.284 5.399 1.00 0.21 H new ATOM 0 HB3 ALA A 32 0.271 -5.560 4.381 1.00 0.21 H new ATOM 512 N LEU A 33 -2.582 -6.627 4.632 1.00 0.15 N ATOM 513 CA LEU A 33 -4.001 -6.242 4.628 1.00 0.15 C ATOM 514 C LEU A 33 -4.876 -7.390 5.176 1.00 0.17 C ATOM 515 O LEU A 33 -5.896 -7.152 5.831 1.00 0.21 O ATOM 516 CB LEU A 33 -4.458 -5.823 3.218 1.00 0.21 C ATOM 517 CG LEU A 33 -3.642 -4.689 2.577 1.00 0.29 C ATOM 518 CD1 LEU A 33 -3.867 -4.658 1.072 1.00 0.47 C ATOM 519 CD2 LEU A 33 -4.003 -3.347 3.201 1.00 0.37 C ATOM 0 H LEU A 33 -2.202 -6.862 3.715 1.00 0.15 H new ATOM 0 HA LEU A 33 -4.121 -5.380 5.284 1.00 0.15 H new ATOM 0 HB2 LEU A 33 -4.414 -6.695 2.565 1.00 0.21 H new ATOM 0 HB3 LEU A 33 -5.502 -5.514 3.268 1.00 0.21 H new ATOM 0 HG LEU A 33 -2.585 -4.878 2.764 1.00 0.29 H new ATOM 0 HD11 LEU A 33 -3.282 -3.850 0.633 1.00 0.47 H new ATOM 0 HD12 LEU A 33 -3.556 -5.608 0.638 1.00 0.47 H new ATOM 0 HD13 LEU A 33 -4.925 -4.494 0.866 1.00 0.47 H new ATOM 0 HD21 LEU A 33 -3.414 -2.558 2.733 1.00 0.37 H new ATOM 0 HD22 LEU A 33 -5.064 -3.148 3.047 1.00 0.37 H new ATOM 0 HD23 LEU A 33 -3.790 -3.374 4.270 1.00 0.37 H new ATOM 531 N GLN A 34 -4.438 -8.639 4.982 1.00 0.20 N ATOM 532 CA GLN A 34 -5.162 -9.799 5.513 1.00 0.26 C ATOM 533 C GLN A 34 -5.114 -9.821 7.048 1.00 0.29 C ATOM 534 O GLN A 34 -6.097 -10.179 7.698 1.00 0.38 O ATOM 535 CB GLN A 34 -4.597 -11.107 4.941 1.00 0.29 C ATOM 536 CG GLN A 34 -4.750 -11.229 3.427 1.00 0.33 C ATOM 537 CD GLN A 34 -4.083 -12.473 2.861 1.00 0.58 C ATOM 538 OE1 GLN A 34 -3.503 -13.270 3.601 1.00 1.12 O ATOM 539 NE2 GLN A 34 -4.154 -12.645 1.549 1.00 0.58 N ATOM 0 H GLN A 34 -3.591 -8.872 4.464 1.00 0.20 H new ATOM 0 HA GLN A 34 -6.204 -9.711 5.204 1.00 0.26 H new ATOM 0 HB2 GLN A 34 -3.540 -11.179 5.198 1.00 0.29 H new ATOM 0 HB3 GLN A 34 -5.099 -11.949 5.417 1.00 0.29 H new ATOM 0 HG2 GLN A 34 -5.810 -11.245 3.175 1.00 0.33 H new ATOM 0 HG3 GLN A 34 -4.323 -10.346 2.952 1.00 0.33 H new ATOM 0 HE21 GLN A 34 -4.644 -11.962 0.971 1.00 0.58 H new ATOM 0 HE22 GLN A 34 -3.719 -13.460 1.117 1.00 0.58 H new ATOM 548 N GLU A 35 -3.983 -9.381 7.621 1.00 0.28 N ATOM 549 CA GLU A 35 -3.833 -9.294 9.083 1.00 0.34 C ATOM 550 C GLU A 35 -4.526 -8.036 9.646 1.00 0.34 C ATOM 551 O GLU A 35 -4.712 -7.914 10.861 1.00 0.45 O ATOM 552 CB GLU A 35 -2.343 -9.319 9.483 1.00 0.37 C ATOM 553 CG GLU A 35 -1.541 -8.094 9.063 1.00 0.65 C ATOM 554 CD GLU A 35 -0.407 -7.762 10.015 1.00 1.20 C ATOM 555 OE1 GLU A 35 -0.693 -7.450 11.186 1.00 1.94 O ATOM 556 OE2 GLU A 35 0.762 -7.786 9.587 1.00 1.78 O ATOM 0 H GLU A 35 -3.161 -9.081 7.097 1.00 0.28 H new ATOM 0 HA GLU A 35 -4.321 -10.166 9.518 1.00 0.34 H new ATOM 0 HB2 GLU A 35 -2.275 -9.425 10.566 1.00 0.37 H new ATOM 0 HB3 GLU A 35 -1.880 -10.204 9.047 1.00 0.37 H new ATOM 0 HG2 GLU A 35 -1.132 -8.261 8.066 1.00 0.65 H new ATOM 0 HG3 GLU A 35 -2.210 -7.237 8.994 1.00 0.65 H new ATOM 563 N GLN A 36 -4.890 -7.096 8.757 1.00 0.26 N ATOM 564 CA GLN A 36 -5.587 -5.861 9.148 1.00 0.28 C ATOM 565 C GLN A 36 -7.089 -6.119 9.308 1.00 0.30 C ATOM 566 O GLN A 36 -7.643 -5.954 10.396 1.00 0.39 O ATOM 567 CB GLN A 36 -5.345 -4.750 8.113 1.00 0.26 C ATOM 568 CG GLN A 36 -4.048 -3.971 8.338 1.00 0.31 C ATOM 569 CD GLN A 36 -4.278 -2.658 9.073 1.00 0.49 C ATOM 570 OE1 GLN A 36 -4.962 -2.623 10.097 1.00 1.42 O ATOM 571 NE2 GLN A 36 -3.743 -1.568 8.539 1.00 0.65 N ATOM 0 H GLN A 36 -4.711 -7.170 7.756 1.00 0.26 H new ATOM 0 HA GLN A 36 -5.186 -5.533 10.107 1.00 0.28 H new ATOM 0 HB2 GLN A 36 -5.325 -5.192 7.117 1.00 0.26 H new ATOM 0 HB3 GLN A 36 -6.184 -4.055 8.136 1.00 0.26 H new ATOM 0 HG2 GLN A 36 -3.352 -4.586 8.909 1.00 0.31 H new ATOM 0 HG3 GLN A 36 -3.578 -3.768 7.376 1.00 0.31 H new ATOM 0 HE21 GLN A 36 -3.182 -1.639 7.690 1.00 0.65 H new ATOM 0 HE22 GLN A 36 -3.892 -0.659 8.978 1.00 0.65 H new ATOM 580 N GLY A 37 -7.738 -6.523 8.213 1.00 0.28 N ATOM 581 CA GLY A 37 -9.166 -6.805 8.250 1.00 0.33 C ATOM 582 C GLY A 37 -9.794 -6.898 6.868 1.00 0.34 C ATOM 583 O GLY A 37 -10.950 -6.506 6.687 1.00 0.46 O ATOM 0 H GLY A 37 -7.299 -6.660 7.302 1.00 0.28 H new ATOM 0 HA2 GLY A 37 -9.331 -7.743 8.781 1.00 0.33 H new ATOM 0 HA3 GLY A 37 -9.670 -6.024 8.819 1.00 0.33 H new ATOM 587 N PHE A 38 -9.049 -7.425 5.888 1.00 0.30 N ATOM 588 CA PHE A 38 -9.551 -7.547 4.513 1.00 0.34 C ATOM 589 C PHE A 38 -9.469 -8.989 4.017 1.00 0.45 C ATOM 590 O PHE A 38 -8.582 -9.745 4.410 1.00 0.83 O ATOM 591 CB PHE A 38 -8.770 -6.620 3.578 1.00 0.31 C ATOM 592 CG PHE A 38 -8.760 -5.193 4.052 1.00 0.26 C ATOM 593 CD1 PHE A 38 -9.826 -4.355 3.779 1.00 1.19 C ATOM 594 CD2 PHE A 38 -7.720 -4.716 4.831 1.00 1.24 C ATOM 595 CE1 PHE A 38 -9.829 -3.054 4.236 1.00 1.19 C ATOM 596 CE2 PHE A 38 -7.718 -3.421 5.291 1.00 1.26 C ATOM 597 CZ PHE A 38 -8.773 -2.588 4.996 1.00 0.29 C ATOM 0 H PHE A 38 -8.099 -7.773 6.021 1.00 0.30 H new ATOM 0 HA PHE A 38 -10.600 -7.251 4.512 1.00 0.34 H new ATOM 0 HB2 PHE A 38 -7.744 -6.977 3.492 1.00 0.31 H new ATOM 0 HB3 PHE A 38 -9.207 -6.664 2.581 1.00 0.31 H new ATOM 0 HD1 PHE A 38 -10.663 -4.723 3.203 1.00 1.19 H new ATOM 0 HD2 PHE A 38 -6.898 -5.371 5.081 1.00 1.24 H new ATOM 0 HE1 PHE A 38 -10.656 -2.400 4.000 1.00 1.19 H new ATOM 0 HE2 PHE A 38 -6.891 -3.058 5.883 1.00 1.26 H new ATOM 0 HZ PHE A 38 -8.776 -1.571 5.358 1.00 0.29 H new ATOM 607 N ASP A 39 -10.418 -9.357 3.156 1.00 0.46 N ATOM 608 CA ASP A 39 -10.474 -10.674 2.544 1.00 0.58 C ATOM 609 C ASP A 39 -10.928 -10.514 1.099 1.00 0.69 C ATOM 610 O ASP A 39 -11.829 -9.726 0.800 1.00 1.55 O ATOM 611 CB ASP A 39 -11.421 -11.616 3.307 1.00 0.72 C ATOM 612 CG ASP A 39 -11.239 -13.065 2.895 1.00 1.53 C ATOM 613 OD1 ASP A 39 -10.238 -13.680 3.308 1.00 2.21 O ATOM 614 OD2 ASP A 39 -12.071 -13.570 2.115 1.00 2.24 O ATOM 0 H ASP A 39 -11.175 -8.739 2.864 1.00 0.46 H new ATOM 0 HA ASP A 39 -9.483 -11.126 2.580 1.00 0.58 H new ATOM 0 HB2 ASP A 39 -11.243 -11.519 4.378 1.00 0.72 H new ATOM 0 HB3 ASP A 39 -12.453 -11.315 3.127 1.00 0.72 H new ATOM 619 N ASN A 40 -10.264 -11.254 0.232 1.00 0.95 N ATOM 620 CA ASN A 40 -10.448 -11.199 -1.229 1.00 1.07 C ATOM 621 C ASN A 40 -9.437 -10.207 -1.810 1.00 0.91 C ATOM 622 O ASN A 40 -9.797 -9.225 -2.465 1.00 1.18 O ATOM 623 CB ASN A 40 -11.899 -10.850 -1.644 1.00 1.35 C ATOM 624 CG ASN A 40 -12.209 -11.204 -3.092 1.00 1.76 C ATOM 625 OD1 ASN A 40 -12.528 -10.332 -3.903 1.00 2.30 O ATOM 626 ND2 ASN A 40 -12.125 -12.485 -3.427 1.00 2.30 N ATOM 0 H ASN A 40 -9.559 -11.933 0.519 1.00 0.95 H new ATOM 0 HA ASN A 40 -10.268 -12.193 -1.638 1.00 1.07 H new ATOM 0 HB2 ASN A 40 -12.594 -11.378 -0.991 1.00 1.35 H new ATOM 0 HB3 ASN A 40 -12.067 -9.784 -1.493 1.00 1.35 H new ATOM 0 HD21 ASN A 40 -12.328 -12.776 -4.383 1.00 2.30 H new ATOM 0 HD22 ASN A 40 -11.858 -13.178 -2.728 1.00 2.30 H new ATOM 633 N ILE A 41 -8.166 -10.458 -1.490 1.00 0.58 N ATOM 634 CA ILE A 41 -7.044 -9.617 -1.910 1.00 0.44 C ATOM 635 C ILE A 41 -5.915 -10.508 -2.444 1.00 0.39 C ATOM 636 O ILE A 41 -5.709 -11.626 -1.956 1.00 0.62 O ATOM 637 CB ILE A 41 -6.557 -8.724 -0.719 1.00 0.40 C ATOM 638 CG1 ILE A 41 -7.197 -7.332 -0.801 1.00 0.60 C ATOM 639 CG2 ILE A 41 -5.038 -8.596 -0.657 1.00 0.39 C ATOM 640 CD1 ILE A 41 -6.371 -6.333 -1.584 1.00 1.68 C ATOM 0 H ILE A 41 -7.884 -11.260 -0.926 1.00 0.58 H new ATOM 0 HA ILE A 41 -7.364 -8.948 -2.709 1.00 0.44 H new ATOM 0 HB ILE A 41 -6.874 -9.223 0.197 1.00 0.40 H new ATOM 0 HG12 ILE A 41 -8.181 -7.420 -1.263 1.00 0.60 H new ATOM 0 HG13 ILE A 41 -7.352 -6.952 0.209 1.00 0.60 H new ATOM 0 HG21 ILE A 41 -4.760 -7.966 0.188 1.00 0.39 H new ATOM 0 HG22 ILE A 41 -4.594 -9.584 -0.534 1.00 0.39 H new ATOM 0 HG23 ILE A 41 -4.673 -8.146 -1.580 1.00 0.39 H new ATOM 0 HD11 ILE A 41 -6.883 -5.371 -1.601 1.00 1.68 H new ATOM 0 HD12 ILE A 41 -5.396 -6.216 -1.111 1.00 1.68 H new ATOM 0 HD13 ILE A 41 -6.238 -6.691 -2.605 1.00 1.68 H new ATOM 652 N ASN A 42 -5.210 -10.028 -3.466 1.00 0.33 N ATOM 653 CA ASN A 42 -4.133 -10.799 -4.098 1.00 0.31 C ATOM 654 C ASN A 42 -3.026 -9.885 -4.636 1.00 0.24 C ATOM 655 O ASN A 42 -3.056 -8.660 -4.451 1.00 0.25 O ATOM 656 CB ASN A 42 -4.705 -11.688 -5.231 1.00 0.40 C ATOM 657 CG ASN A 42 -5.350 -10.904 -6.375 1.00 0.48 C ATOM 658 OD1 ASN A 42 -5.529 -9.686 -6.297 1.00 0.66 O ATOM 659 ND2 ASN A 42 -5.712 -11.601 -7.442 1.00 0.91 N ATOM 0 H ASN A 42 -5.363 -9.107 -3.877 1.00 0.33 H new ATOM 0 HA ASN A 42 -3.688 -11.439 -3.337 1.00 0.31 H new ATOM 0 HB2 ASN A 42 -3.902 -12.305 -5.635 1.00 0.40 H new ATOM 0 HB3 ASN A 42 -5.445 -12.366 -4.807 1.00 0.40 H new ATOM 0 HD21 ASN A 42 -6.154 -11.131 -8.232 1.00 0.91 H new ATOM 0 HD22 ASN A 42 -5.549 -12.607 -7.473 1.00 0.91 H new ATOM 666 N GLN A 43 -2.066 -10.496 -5.336 1.00 0.24 N ATOM 667 CA GLN A 43 -0.942 -9.776 -5.946 1.00 0.26 C ATOM 668 C GLN A 43 -1.428 -8.682 -6.908 1.00 0.22 C ATOM 669 O GLN A 43 -0.861 -7.592 -6.946 1.00 0.24 O ATOM 670 CB GLN A 43 -0.019 -10.767 -6.689 1.00 0.37 C ATOM 671 CG GLN A 43 1.473 -10.518 -6.469 1.00 0.56 C ATOM 672 CD GLN A 43 1.965 -10.887 -5.073 1.00 0.88 C ATOM 673 OE1 GLN A 43 3.040 -10.464 -4.653 1.00 1.66 O ATOM 674 NE2 GLN A 43 1.176 -11.668 -4.341 1.00 1.43 N ATOM 0 H GLN A 43 -2.045 -11.503 -5.496 1.00 0.24 H new ATOM 0 HA GLN A 43 -0.382 -9.291 -5.147 1.00 0.26 H new ATOM 0 HB2 GLN A 43 -0.258 -11.780 -6.367 1.00 0.37 H new ATOM 0 HB3 GLN A 43 -0.231 -10.713 -7.757 1.00 0.37 H new ATOM 0 HG2 GLN A 43 2.039 -11.089 -7.205 1.00 0.56 H new ATOM 0 HG3 GLN A 43 1.686 -9.465 -6.651 1.00 0.56 H new ATOM 0 HE21 GLN A 43 0.291 -12.000 -4.723 1.00 1.43 H new ATOM 0 HE22 GLN A 43 1.456 -11.935 -3.397 1.00 1.43 H new ATOM 683 N SER A 44 -2.507 -8.972 -7.646 1.00 0.25 N ATOM 684 CA SER A 44 -3.084 -8.036 -8.608 1.00 0.29 C ATOM 685 C SER A 44 -3.641 -6.772 -7.939 1.00 0.28 C ATOM 686 O SER A 44 -3.390 -5.669 -8.407 1.00 0.34 O ATOM 687 CB SER A 44 -4.169 -8.736 -9.413 1.00 0.36 C ATOM 688 OG SER A 44 -3.739 -10.017 -9.855 1.00 0.83 O ATOM 0 H SER A 44 -3.001 -9.862 -7.590 1.00 0.25 H new ATOM 0 HA SER A 44 -2.284 -7.710 -9.272 1.00 0.29 H new ATOM 0 HB2 SER A 44 -5.066 -8.842 -8.803 1.00 0.36 H new ATOM 0 HB3 SER A 44 -4.439 -8.124 -10.273 1.00 0.36 H new ATOM 0 HG SER A 44 -4.457 -10.444 -10.368 1.00 0.83 H new ATOM 694 N LYS A 45 -4.379 -6.937 -6.832 1.00 0.27 N ATOM 695 CA LYS A 45 -4.930 -5.791 -6.080 1.00 0.30 C ATOM 696 C LYS A 45 -3.799 -4.899 -5.537 1.00 0.22 C ATOM 697 O LYS A 45 -3.914 -3.676 -5.513 1.00 0.26 O ATOM 698 CB LYS A 45 -5.810 -6.279 -4.905 1.00 0.39 C ATOM 699 CG LYS A 45 -7.308 -6.041 -5.089 1.00 0.64 C ATOM 700 CD LYS A 45 -7.867 -6.834 -6.260 1.00 1.44 C ATOM 701 CE LYS A 45 -9.342 -6.526 -6.498 1.00 1.92 C ATOM 702 NZ LYS A 45 -10.071 -7.713 -7.015 1.00 2.16 N ATOM 0 H LYS A 45 -4.610 -7.848 -6.435 1.00 0.27 H new ATOM 0 HA LYS A 45 -5.544 -5.208 -6.767 1.00 0.30 H new ATOM 0 HB2 LYS A 45 -5.640 -7.346 -4.760 1.00 0.39 H new ATOM 0 HB3 LYS A 45 -5.485 -5.778 -3.993 1.00 0.39 H new ATOM 0 HG2 LYS A 45 -7.835 -6.320 -4.177 1.00 0.64 H new ATOM 0 HG3 LYS A 45 -7.490 -4.978 -5.250 1.00 0.64 H new ATOM 0 HD2 LYS A 45 -7.297 -6.604 -7.160 1.00 1.44 H new ATOM 0 HD3 LYS A 45 -7.744 -7.900 -6.069 1.00 1.44 H new ATOM 0 HE2 LYS A 45 -9.800 -6.194 -5.566 1.00 1.92 H new ATOM 0 HE3 LYS A 45 -9.433 -5.704 -7.208 1.00 1.92 H new ATOM 0 HZ1 LYS A 45 -11.071 -7.468 -7.165 1.00 2.16 H new ATOM 0 HZ2 LYS A 45 -9.649 -8.014 -7.916 1.00 2.16 H new ATOM 0 HZ3 LYS A 45 -10.005 -8.489 -6.325 1.00 2.16 H new ATOM 716 N VAL A 46 -2.716 -5.538 -5.102 1.00 0.17 N ATOM 717 CA VAL A 46 -1.559 -4.842 -4.536 1.00 0.15 C ATOM 718 C VAL A 46 -0.712 -4.165 -5.628 1.00 0.15 C ATOM 719 O VAL A 46 -0.300 -3.015 -5.465 1.00 0.20 O ATOM 720 CB VAL A 46 -0.725 -5.824 -3.673 1.00 0.18 C ATOM 721 CG1 VAL A 46 0.605 -5.226 -3.237 1.00 0.23 C ATOM 722 CG2 VAL A 46 -1.546 -6.235 -2.450 1.00 0.22 C ATOM 0 H VAL A 46 -2.614 -6.552 -5.131 1.00 0.17 H new ATOM 0 HA VAL A 46 -1.916 -4.041 -3.889 1.00 0.15 H new ATOM 0 HB VAL A 46 -0.494 -6.697 -4.283 1.00 0.18 H new ATOM 0 HG11 VAL A 46 1.151 -5.953 -2.636 1.00 0.23 H new ATOM 0 HG12 VAL A 46 1.194 -4.968 -4.117 1.00 0.23 H new ATOM 0 HG13 VAL A 46 0.424 -4.328 -2.646 1.00 0.23 H new ATOM 0 HG21 VAL A 46 -0.966 -6.926 -1.838 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -1.793 -5.350 -1.863 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -2.465 -6.722 -2.776 1.00 0.22 H new ATOM 732 N SER A 47 -0.504 -4.843 -6.759 1.00 0.17 N ATOM 733 CA SER A 47 0.250 -4.267 -7.879 1.00 0.21 C ATOM 734 C SER A 47 -0.553 -3.165 -8.578 1.00 0.22 C ATOM 735 O SER A 47 0.004 -2.139 -8.977 1.00 0.24 O ATOM 736 CB SER A 47 0.648 -5.356 -8.888 1.00 0.29 C ATOM 737 OG SER A 47 -0.451 -6.178 -9.258 1.00 1.26 O ATOM 0 H SER A 47 -0.846 -5.790 -6.925 1.00 0.17 H new ATOM 0 HA SER A 47 1.158 -3.822 -7.471 1.00 0.21 H new ATOM 0 HB2 SER A 47 1.064 -4.887 -9.780 1.00 0.29 H new ATOM 0 HB3 SER A 47 1.434 -5.977 -8.458 1.00 0.29 H new ATOM 0 HG SER A 47 -0.631 -6.825 -8.544 1.00 1.26 H new ATOM 743 N ARG A 48 -1.872 -3.369 -8.688 1.00 0.23 N ATOM 744 CA ARG A 48 -2.765 -2.389 -9.317 1.00 0.26 C ATOM 745 C ARG A 48 -2.852 -1.108 -8.483 1.00 0.20 C ATOM 746 O ARG A 48 -2.762 -0.005 -9.021 1.00 0.22 O ATOM 747 CB ARG A 48 -4.167 -2.987 -9.530 1.00 0.32 C ATOM 748 CG ARG A 48 -4.255 -3.907 -10.753 1.00 0.41 C ATOM 749 CD ARG A 48 -5.036 -3.280 -11.911 1.00 1.03 C ATOM 750 NE ARG A 48 -4.913 -1.815 -11.961 1.00 1.58 N ATOM 751 CZ ARG A 48 -3.886 -1.158 -12.503 1.00 2.32 C ATOM 752 NH1 ARG A 48 -2.875 -1.821 -13.047 1.00 2.75 N ATOM 753 NH2 ARG A 48 -3.859 0.168 -12.486 1.00 3.20 N ATOM 0 H ARG A 48 -2.345 -4.207 -8.348 1.00 0.23 H new ATOM 0 HA ARG A 48 -2.346 -2.133 -10.290 1.00 0.26 H new ATOM 0 HB2 ARG A 48 -4.454 -3.548 -8.641 1.00 0.32 H new ATOM 0 HB3 ARG A 48 -4.887 -2.176 -9.641 1.00 0.32 H new ATOM 0 HG2 ARG A 48 -3.248 -4.153 -11.091 1.00 0.41 H new ATOM 0 HG3 ARG A 48 -4.732 -4.844 -10.464 1.00 0.41 H new ATOM 0 HD2 ARG A 48 -4.681 -3.701 -12.852 1.00 1.03 H new ATOM 0 HD3 ARG A 48 -6.089 -3.548 -11.819 1.00 1.03 H new ATOM 0 HE ARG A 48 -5.666 -1.262 -11.552 1.00 1.58 H new ATOM 0 HH11 ARG A 48 -2.879 -2.841 -13.053 1.00 2.75 H new ATOM 0 HH12 ARG A 48 -2.094 -1.311 -13.459 1.00 2.75 H new ATOM 0 HH21 ARG A 48 -4.625 0.688 -12.058 1.00 3.20 H new ATOM 0 HH22 ARG A 48 -3.072 0.667 -12.901 1.00 3.20 H new ATOM 767 N MET A 49 -2.967 -1.263 -7.160 1.00 0.17 N ATOM 768 CA MET A 49 -3.016 -0.115 -6.249 1.00 0.16 C ATOM 769 C MET A 49 -1.660 0.607 -6.187 1.00 0.13 C ATOM 770 O MET A 49 -1.617 1.830 -6.072 1.00 0.14 O ATOM 771 CB MET A 49 -3.467 -0.549 -4.846 1.00 0.18 C ATOM 772 CG MET A 49 -4.972 -0.769 -4.731 1.00 0.27 C ATOM 773 SD MET A 49 -5.527 -0.980 -3.027 1.00 1.49 S ATOM 774 CE MET A 49 -7.162 -0.261 -3.110 1.00 2.00 C ATOM 0 H MET A 49 -3.028 -2.170 -6.697 1.00 0.17 H new ATOM 0 HA MET A 49 -3.750 0.589 -6.641 1.00 0.16 H new ATOM 0 HB2 MET A 49 -2.952 -1.471 -4.576 1.00 0.18 H new ATOM 0 HB3 MET A 49 -3.163 0.209 -4.125 1.00 0.18 H new ATOM 0 HG2 MET A 49 -5.492 0.080 -5.174 1.00 0.27 H new ATOM 0 HG3 MET A 49 -5.250 -1.650 -5.309 1.00 0.27 H new ATOM 0 HE1 MET A 49 -7.521 -0.056 -2.101 1.00 2.00 H new ATOM 0 HE2 MET A 49 -7.122 0.669 -3.677 1.00 2.00 H new ATOM 0 HE3 MET A 49 -7.841 -0.957 -3.602 1.00 2.00 H new ATOM 784 N LEU A 50 -0.556 -0.145 -6.319 1.00 0.13 N ATOM 785 CA LEU A 50 0.794 0.445 -6.341 1.00 0.14 C ATOM 786 C LEU A 50 0.967 1.390 -7.535 1.00 0.17 C ATOM 787 O LEU A 50 1.336 2.553 -7.368 1.00 0.21 O ATOM 788 CB LEU A 50 1.877 -0.651 -6.381 1.00 0.18 C ATOM 789 CG LEU A 50 2.322 -1.176 -5.010 1.00 0.19 C ATOM 790 CD1 LEU A 50 2.932 -2.567 -5.126 1.00 0.33 C ATOM 791 CD2 LEU A 50 3.299 -0.224 -4.345 1.00 0.32 C ATOM 0 H LEU A 50 -0.570 -1.161 -6.412 1.00 0.13 H new ATOM 0 HA LEU A 50 0.911 1.020 -5.423 1.00 0.14 H new ATOM 0 HB2 LEU A 50 1.503 -1.489 -6.970 1.00 0.18 H new ATOM 0 HB3 LEU A 50 2.750 -0.259 -6.903 1.00 0.18 H new ATOM 0 HG LEU A 50 1.433 -1.242 -4.383 1.00 0.19 H new ATOM 0 HD11 LEU A 50 3.238 -2.913 -4.139 1.00 0.33 H new ATOM 0 HD12 LEU A 50 2.194 -3.255 -5.539 1.00 0.33 H new ATOM 0 HD13 LEU A 50 3.801 -2.530 -5.783 1.00 0.33 H new ATOM 0 HD21 LEU A 50 3.595 -0.625 -3.376 1.00 0.32 H new ATOM 0 HD22 LEU A 50 4.181 -0.109 -4.975 1.00 0.32 H new ATOM 0 HD23 LEU A 50 2.824 0.747 -4.206 1.00 0.32 H new ATOM 803 N THR A 51 0.667 0.888 -8.736 1.00 0.19 N ATOM 804 CA THR A 51 0.778 1.682 -9.965 1.00 0.23 C ATOM 805 C THR A 51 -0.292 2.794 -10.016 1.00 0.24 C ATOM 806 O THR A 51 -0.040 3.888 -10.525 1.00 0.32 O ATOM 807 CB THR A 51 0.683 0.766 -11.206 1.00 0.28 C ATOM 808 OG1 THR A 51 1.296 -0.497 -10.959 1.00 0.35 O ATOM 809 CG2 THR A 51 1.348 1.350 -12.440 1.00 0.34 C ATOM 0 H THR A 51 0.344 -0.068 -8.885 1.00 0.19 H new ATOM 0 HA THR A 51 1.754 2.168 -9.967 1.00 0.23 H new ATOM 0 HB THR A 51 -0.385 0.661 -11.394 1.00 0.28 H new ATOM 0 HG1 THR A 51 0.707 -1.042 -10.397 1.00 0.35 H new ATOM 0 HG21 THR A 51 1.243 0.655 -13.273 1.00 0.34 H new ATOM 0 HG22 THR A 51 0.873 2.297 -12.696 1.00 0.34 H new ATOM 0 HG23 THR A 51 2.406 1.518 -12.238 1.00 0.34 H new ATOM 817 N LYS A 52 -1.472 2.520 -9.439 1.00 0.20 N ATOM 818 CA LYS A 52 -2.570 3.498 -9.391 1.00 0.22 C ATOM 819 C LYS A 52 -2.230 4.665 -8.451 1.00 0.24 C ATOM 820 O LYS A 52 -2.386 5.830 -8.820 1.00 0.32 O ATOM 821 CB LYS A 52 -3.881 2.821 -8.947 1.00 0.22 C ATOM 822 CG LYS A 52 -5.080 3.771 -8.897 1.00 0.32 C ATOM 823 CD LYS A 52 -5.506 4.108 -7.459 1.00 0.46 C ATOM 824 CE LYS A 52 -5.706 5.609 -7.212 1.00 0.74 C ATOM 825 NZ LYS A 52 -6.123 6.357 -8.431 1.00 1.23 N ATOM 0 H LYS A 52 -1.691 1.627 -8.998 1.00 0.20 H new ATOM 0 HA LYS A 52 -2.705 3.897 -10.396 1.00 0.22 H new ATOM 0 HB2 LYS A 52 -4.106 2.002 -9.631 1.00 0.22 H new ATOM 0 HB3 LYS A 52 -3.736 2.381 -7.960 1.00 0.22 H new ATOM 0 HG2 LYS A 52 -4.831 4.692 -9.424 1.00 0.32 H new ATOM 0 HG3 LYS A 52 -5.920 3.319 -9.424 1.00 0.32 H new ATOM 0 HD2 LYS A 52 -6.435 3.584 -7.232 1.00 0.46 H new ATOM 0 HD3 LYS A 52 -4.751 3.732 -6.768 1.00 0.46 H new ATOM 0 HE2 LYS A 52 -6.459 5.745 -6.436 1.00 0.74 H new ATOM 0 HE3 LYS A 52 -4.777 6.035 -6.833 1.00 0.74 H new ATOM 0 HZ1 LYS A 52 -6.562 7.258 -8.152 1.00 1.23 H new ATOM 0 HZ2 LYS A 52 -5.290 6.546 -9.024 1.00 1.23 H new ATOM 0 HZ3 LYS A 52 -6.809 5.790 -8.969 1.00 1.23 H new ATOM 839 N PHE A 53 -1.760 4.342 -7.242 1.00 0.23 N ATOM 840 CA PHE A 53 -1.395 5.361 -6.247 1.00 0.27 C ATOM 841 C PHE A 53 0.011 5.935 -6.498 1.00 0.31 C ATOM 842 O PHE A 53 0.390 6.930 -5.885 1.00 0.49 O ATOM 843 CB PHE A 53 -1.503 4.782 -4.816 1.00 0.25 C ATOM 844 CG PHE A 53 -2.925 4.558 -4.368 1.00 0.27 C ATOM 845 CD1 PHE A 53 -3.849 5.591 -4.403 1.00 1.13 C ATOM 846 CD2 PHE A 53 -3.345 3.309 -3.925 1.00 1.24 C ATOM 847 CE1 PHE A 53 -5.153 5.386 -4.008 1.00 1.13 C ATOM 848 CE2 PHE A 53 -4.647 3.101 -3.528 1.00 1.27 C ATOM 849 CZ PHE A 53 -5.553 4.142 -3.571 1.00 0.37 C ATOM 0 H PHE A 53 -1.622 3.382 -6.926 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.101 6.185 -6.348 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -0.963 3.836 -4.773 1.00 0.25 H new ATOM 0 HB3 PHE A 53 -1.013 5.461 -4.119 1.00 0.25 H new ATOM 0 HD1 PHE A 53 -3.543 6.569 -4.744 1.00 1.13 H new ATOM 0 HD2 PHE A 53 -2.641 2.491 -3.892 1.00 1.24 H new ATOM 0 HE1 PHE A 53 -5.862 6.200 -4.041 1.00 1.13 H new ATOM 0 HE2 PHE A 53 -4.959 2.126 -3.184 1.00 1.27 H new ATOM 0 HZ PHE A 53 -6.575 3.981 -3.262 1.00 0.37 H new ATOM 859 N GLY A 54 0.770 5.315 -7.417 1.00 0.27 N ATOM 860 CA GLY A 54 2.109 5.795 -7.763 1.00 0.32 C ATOM 861 C GLY A 54 3.103 5.710 -6.615 1.00 0.28 C ATOM 862 O GLY A 54 3.755 6.698 -6.281 1.00 0.32 O ATOM 0 H GLY A 54 0.476 4.483 -7.930 1.00 0.27 H new ATOM 0 HA2 GLY A 54 2.488 5.214 -8.604 1.00 0.32 H new ATOM 0 HA3 GLY A 54 2.040 6.830 -8.096 1.00 0.32 H new ATOM 866 N ALA A 55 3.215 4.526 -6.010 1.00 0.25 N ATOM 867 CA ALA A 55 4.123 4.306 -4.877 1.00 0.24 C ATOM 868 C ALA A 55 5.572 4.124 -5.349 1.00 0.25 C ATOM 869 O ALA A 55 5.870 3.217 -6.130 1.00 0.43 O ATOM 870 CB ALA A 55 3.669 3.091 -4.070 1.00 0.30 C ATOM 0 H ALA A 55 2.686 3.699 -6.286 1.00 0.25 H new ATOM 0 HA ALA A 55 4.090 5.190 -4.240 1.00 0.24 H new ATOM 0 HB1 ALA A 55 4.349 2.936 -3.232 1.00 0.30 H new ATOM 0 HB2 ALA A 55 2.661 3.261 -3.693 1.00 0.30 H new ATOM 0 HB3 ALA A 55 3.673 2.208 -4.709 1.00 0.30 H new ATOM 876 N VAL A 56 6.462 4.987 -4.856 1.00 0.22 N ATOM 877 CA VAL A 56 7.892 4.936 -5.186 1.00 0.26 C ATOM 878 C VAL A 56 8.677 4.285 -4.040 1.00 0.26 C ATOM 879 O VAL A 56 8.350 4.481 -2.870 1.00 0.39 O ATOM 880 CB VAL A 56 8.466 6.359 -5.456 1.00 0.34 C ATOM 881 CG1 VAL A 56 7.678 7.072 -6.549 1.00 0.55 C ATOM 882 CG2 VAL A 56 8.484 7.209 -4.185 1.00 0.44 C ATOM 0 H VAL A 56 6.214 5.742 -4.216 1.00 0.22 H new ATOM 0 HA VAL A 56 7.998 4.341 -6.093 1.00 0.26 H new ATOM 0 HB VAL A 56 9.494 6.229 -5.794 1.00 0.34 H new ATOM 0 HG11 VAL A 56 8.101 8.062 -6.716 1.00 0.55 H new ATOM 0 HG12 VAL A 56 7.732 6.494 -7.472 1.00 0.55 H new ATOM 0 HG13 VAL A 56 6.637 7.170 -6.242 1.00 0.55 H new ATOM 0 HG21 VAL A 56 8.891 8.194 -4.412 1.00 0.44 H new ATOM 0 HG22 VAL A 56 7.468 7.315 -3.803 1.00 0.44 H new ATOM 0 HG23 VAL A 56 9.106 6.725 -3.432 1.00 0.44 H new ATOM 892 N ARG A 57 9.708 3.506 -4.372 1.00 0.39 N ATOM 893 CA ARG A 57 10.544 2.870 -3.347 1.00 0.41 C ATOM 894 C ARG A 57 11.703 3.787 -2.952 1.00 0.46 C ATOM 895 O ARG A 57 12.276 4.484 -3.795 1.00 0.58 O ATOM 896 CB ARG A 57 11.072 1.512 -3.823 1.00 0.48 C ATOM 897 CG ARG A 57 9.981 0.457 -3.965 1.00 0.65 C ATOM 898 CD ARG A 57 10.543 -0.900 -4.370 1.00 0.87 C ATOM 899 NE ARG A 57 11.510 -1.423 -3.396 1.00 0.83 N ATOM 900 CZ ARG A 57 12.281 -2.492 -3.607 1.00 1.10 C ATOM 901 NH1 ARG A 57 12.223 -3.145 -4.761 1.00 1.87 N ATOM 902 NH2 ARG A 57 13.125 -2.889 -2.664 1.00 1.34 N ATOM 0 H ARG A 57 9.984 3.300 -5.332 1.00 0.39 H new ATOM 0 HA ARG A 57 9.921 2.698 -2.469 1.00 0.41 H new ATOM 0 HB2 ARG A 57 11.571 1.640 -4.784 1.00 0.48 H new ATOM 0 HB3 ARG A 57 11.823 1.155 -3.119 1.00 0.48 H new ATOM 0 HG2 ARG A 57 9.447 0.360 -3.020 1.00 0.65 H new ATOM 0 HG3 ARG A 57 9.255 0.785 -4.709 1.00 0.65 H new ATOM 0 HD2 ARG A 57 9.724 -1.610 -4.481 1.00 0.87 H new ATOM 0 HD3 ARG A 57 11.024 -0.814 -5.344 1.00 0.87 H new ATOM 0 HE ARG A 57 11.598 -0.939 -2.502 1.00 0.83 H new ATOM 0 HH11 ARG A 57 11.586 -2.831 -5.493 1.00 1.87 H new ATOM 0 HH12 ARG A 57 12.815 -3.961 -4.915 1.00 1.87 H new ATOM 0 HH21 ARG A 57 13.182 -2.378 -1.783 1.00 1.34 H new ATOM 0 HH22 ARG A 57 13.717 -3.705 -2.820 1.00 1.34 H new ATOM 916 N THR A 58 12.033 3.790 -1.666 1.00 0.44 N ATOM 917 CA THR A 58 13.094 4.651 -1.136 1.00 0.54 C ATOM 918 C THR A 58 13.639 4.086 0.183 1.00 0.50 C ATOM 919 O THR A 58 12.963 3.308 0.863 1.00 0.44 O ATOM 920 CB THR A 58 12.545 6.089 -0.956 1.00 0.69 C ATOM 921 OG1 THR A 58 13.398 6.889 -0.144 1.00 1.32 O ATOM 922 CG2 THR A 58 11.149 6.139 -0.354 1.00 1.17 C ATOM 0 H THR A 58 11.581 3.204 -0.964 1.00 0.44 H new ATOM 0 HA THR A 58 13.925 4.683 -1.841 1.00 0.54 H new ATOM 0 HB THR A 58 12.502 6.486 -1.970 1.00 0.69 H new ATOM 0 HG1 THR A 58 13.018 7.788 -0.056 1.00 1.32 H new ATOM 0 HG21 THR A 58 10.831 7.177 -0.258 1.00 1.17 H new ATOM 0 HG22 THR A 58 10.454 5.605 -1.002 1.00 1.17 H new ATOM 0 HG23 THR A 58 11.160 5.671 0.630 1.00 1.17 H new ATOM 930 N ARG A 59 14.876 4.460 0.523 1.00 0.59 N ATOM 931 CA ARG A 59 15.522 4.005 1.750 1.00 0.63 C ATOM 932 C ARG A 59 14.959 4.744 2.973 1.00 0.69 C ATOM 933 O ARG A 59 14.937 5.976 3.006 1.00 0.83 O ATOM 934 CB ARG A 59 17.042 4.217 1.648 1.00 0.78 C ATOM 935 CG ARG A 59 17.801 3.007 1.100 1.00 1.38 C ATOM 936 CD ARG A 59 19.212 2.917 1.671 1.00 1.32 C ATOM 937 NE ARG A 59 19.922 4.199 1.605 1.00 1.45 N ATOM 938 CZ ARG A 59 20.462 4.710 0.499 1.00 1.72 C ATOM 939 NH1 ARG A 59 20.385 4.064 -0.656 1.00 2.35 N ATOM 940 NH2 ARG A 59 21.084 5.877 0.555 1.00 2.08 N ATOM 0 H ARG A 59 15.452 5.083 -0.043 1.00 0.59 H new ATOM 0 HA ARG A 59 15.318 2.942 1.877 1.00 0.63 H new ATOM 0 HB2 ARG A 59 17.237 5.077 1.007 1.00 0.78 H new ATOM 0 HB3 ARG A 59 17.432 4.461 2.636 1.00 0.78 H new ATOM 0 HG2 ARG A 59 17.253 2.096 1.339 1.00 1.38 H new ATOM 0 HG3 ARG A 59 17.852 3.072 0.013 1.00 1.38 H new ATOM 0 HD2 ARG A 59 19.161 2.585 2.708 1.00 1.32 H new ATOM 0 HD3 ARG A 59 19.776 2.163 1.122 1.00 1.32 H new ATOM 0 HE ARG A 59 20.009 4.738 2.467 1.00 1.45 H new ATOM 0 HH11 ARG A 59 19.908 3.164 -0.706 1.00 2.35 H new ATOM 0 HH12 ARG A 59 20.803 4.467 -1.495 1.00 2.35 H new ATOM 0 HH21 ARG A 59 21.148 6.379 1.441 1.00 2.08 H new ATOM 0 HH22 ARG A 59 21.500 6.274 -0.287 1.00 2.08 H new ATOM 954 N ASN A 60 14.504 3.981 3.970 1.00 0.68 N ATOM 955 CA ASN A 60 13.936 4.554 5.202 1.00 0.81 C ATOM 956 C ASN A 60 15.026 4.823 6.258 1.00 0.95 C ATOM 957 O ASN A 60 16.221 4.850 5.942 1.00 1.04 O ATOM 958 CB ASN A 60 12.816 3.636 5.754 1.00 0.82 C ATOM 959 CG ASN A 60 13.307 2.342 6.402 1.00 0.78 C ATOM 960 OD1 ASN A 60 14.468 1.954 6.260 1.00 1.00 O ATOM 961 ND2 ASN A 60 12.422 1.669 7.124 1.00 0.83 N ATOM 0 H ASN A 60 14.516 2.961 3.952 1.00 0.68 H new ATOM 0 HA ASN A 60 13.493 5.519 4.957 1.00 0.81 H new ATOM 0 HB2 ASN A 60 12.236 4.196 6.488 1.00 0.82 H new ATOM 0 HB3 ASN A 60 12.139 3.383 4.938 1.00 0.82 H new ATOM 0 HD21 ASN A 60 12.694 0.800 7.584 1.00 0.83 H new ATOM 0 HD22 ASN A 60 11.469 2.020 7.220 1.00 0.83 H new ATOM 968 N ALA A 61 14.602 5.020 7.515 1.00 1.04 N ATOM 969 CA ALA A 61 15.527 5.295 8.628 1.00 1.20 C ATOM 970 C ALA A 61 16.545 4.166 8.830 1.00 1.20 C ATOM 971 O ALA A 61 17.681 4.415 9.240 1.00 1.38 O ATOM 972 CB ALA A 61 14.750 5.541 9.919 1.00 1.32 C ATOM 0 H ALA A 61 13.620 4.994 7.789 1.00 1.04 H new ATOM 0 HA ALA A 61 16.085 6.194 8.366 1.00 1.20 H new ATOM 0 HB1 ALA A 61 15.448 5.743 10.731 1.00 1.32 H new ATOM 0 HB2 ALA A 61 14.089 6.398 9.788 1.00 1.32 H new ATOM 0 HB3 ALA A 61 14.157 4.659 10.161 1.00 1.32 H new ATOM 978 N LYS A 62 16.128 2.928 8.548 1.00 1.07 N ATOM 979 CA LYS A 62 17.006 1.761 8.669 1.00 1.12 C ATOM 980 C LYS A 62 17.572 1.333 7.312 1.00 1.01 C ATOM 981 O LYS A 62 17.818 0.147 7.091 1.00 1.02 O ATOM 982 CB LYS A 62 16.255 0.582 9.294 1.00 1.21 C ATOM 983 CG LYS A 62 15.796 0.830 10.730 1.00 1.40 C ATOM 984 CD LYS A 62 15.868 -0.440 11.580 1.00 2.00 C ATOM 985 CE LYS A 62 14.920 -1.528 11.082 1.00 2.34 C ATOM 986 NZ LYS A 62 13.503 -1.077 11.066 1.00 2.62 N ATOM 0 H LYS A 62 15.183 2.708 8.233 1.00 1.07 H new ATOM 0 HA LYS A 62 17.835 2.052 9.314 1.00 1.12 H new ATOM 0 HB2 LYS A 62 15.385 0.352 8.680 1.00 1.21 H new ATOM 0 HB3 LYS A 62 16.899 -0.297 9.276 1.00 1.21 H new ATOM 0 HG2 LYS A 62 16.417 1.604 11.181 1.00 1.40 H new ATOM 0 HG3 LYS A 62 14.773 1.205 10.724 1.00 1.40 H new ATOM 0 HD2 LYS A 62 16.889 -0.821 11.573 1.00 2.00 H new ATOM 0 HD3 LYS A 62 15.625 -0.196 12.614 1.00 2.00 H new ATOM 0 HE2 LYS A 62 15.214 -1.831 10.077 1.00 2.34 H new ATOM 0 HE3 LYS A 62 15.012 -2.407 11.720 1.00 2.34 H new ATOM 0 HZ1 LYS A 62 12.880 -1.894 10.903 1.00 2.62 H new ATOM 0 HZ2 LYS A 62 13.268 -0.639 11.980 1.00 2.62 H new ATOM 0 HZ3 LYS A 62 13.369 -0.382 10.304 1.00 2.62 H new ATOM 1000 N MET A 63 17.793 2.305 6.424 1.00 0.97 N ATOM 1001 CA MET A 63 18.353 2.074 5.079 1.00 0.94 C ATOM 1002 C MET A 63 17.691 0.903 4.319 1.00 0.80 C ATOM 1003 O MET A 63 18.360 0.195 3.560 1.00 0.86 O ATOM 1004 CB MET A 63 19.889 1.877 5.131 1.00 1.12 C ATOM 1005 CG MET A 63 20.399 0.968 6.248 1.00 1.30 C ATOM 1006 SD MET A 63 22.198 0.783 6.226 1.00 2.18 S ATOM 1007 CE MET A 63 22.729 2.481 6.423 1.00 3.12 C ATOM 0 H MET A 63 17.588 3.286 6.615 1.00 0.97 H new ATOM 0 HA MET A 63 18.125 2.979 4.516 1.00 0.94 H new ATOM 0 HB2 MET A 63 20.218 1.468 4.175 1.00 1.12 H new ATOM 0 HB3 MET A 63 20.360 2.854 5.239 1.00 1.12 H new ATOM 0 HG2 MET A 63 20.091 1.374 7.211 1.00 1.30 H new ATOM 0 HG3 MET A 63 19.935 -0.014 6.153 1.00 1.30 H new ATOM 0 HE1 MET A 63 23.631 2.512 7.034 1.00 3.12 H new ATOM 0 HE2 MET A 63 22.939 2.912 5.444 1.00 3.12 H new ATOM 0 HE3 MET A 63 21.941 3.055 6.911 1.00 3.12 H new ATOM 1017 N GLU A 64 16.378 0.729 4.478 1.00 0.73 N ATOM 1018 CA GLU A 64 15.648 -0.330 3.775 1.00 0.64 C ATOM 1019 C GLU A 64 14.885 0.262 2.588 1.00 0.52 C ATOM 1020 O GLU A 64 14.091 1.187 2.761 1.00 0.49 O ATOM 1021 CB GLU A 64 14.670 -1.035 4.729 1.00 0.70 C ATOM 1022 CG GLU A 64 15.353 -1.764 5.883 1.00 0.88 C ATOM 1023 CD GLU A 64 14.482 -2.839 6.504 1.00 1.35 C ATOM 1024 OE1 GLU A 64 13.247 -2.685 6.499 1.00 2.03 O ATOM 1025 OE2 GLU A 64 15.035 -3.837 7.003 1.00 1.79 O ATOM 0 H GLU A 64 15.798 1.307 5.086 1.00 0.73 H new ATOM 0 HA GLU A 64 16.366 -1.064 3.409 1.00 0.64 H new ATOM 0 HB2 GLU A 64 13.979 -0.297 5.136 1.00 0.70 H new ATOM 0 HB3 GLU A 64 14.075 -1.750 4.161 1.00 0.70 H new ATOM 0 HG2 GLU A 64 16.277 -2.216 5.523 1.00 0.88 H new ATOM 0 HG3 GLU A 64 15.629 -1.040 6.650 1.00 0.88 H new ATOM 1032 N MET A 65 15.150 -0.252 1.378 1.00 0.52 N ATOM 1033 CA MET A 65 14.473 0.219 0.161 1.00 0.48 C ATOM 1034 C MET A 65 13.017 -0.251 0.144 1.00 0.43 C ATOM 1035 O MET A 65 12.700 -1.289 -0.447 1.00 0.62 O ATOM 1036 CB MET A 65 15.204 -0.301 -1.089 1.00 0.58 C ATOM 1037 CG MET A 65 16.536 0.381 -1.360 1.00 0.71 C ATOM 1038 SD MET A 65 17.208 -0.030 -2.983 1.00 1.38 S ATOM 1039 CE MET A 65 16.217 1.018 -4.044 1.00 1.18 C ATOM 0 H MET A 65 15.830 -0.995 1.216 1.00 0.52 H new ATOM 0 HA MET A 65 14.491 1.309 0.156 1.00 0.48 H new ATOM 0 HB2 MET A 65 15.373 -1.372 -0.978 1.00 0.58 H new ATOM 0 HB3 MET A 65 14.557 -0.168 -1.956 1.00 0.58 H new ATOM 0 HG2 MET A 65 16.409 1.461 -1.286 1.00 0.71 H new ATOM 0 HG3 MET A 65 17.252 0.091 -0.591 1.00 0.71 H new ATOM 0 HE1 MET A 65 15.866 0.441 -4.900 1.00 1.18 H new ATOM 0 HE2 MET A 65 15.361 1.396 -3.485 1.00 1.18 H new ATOM 0 HE3 MET A 65 16.820 1.856 -4.394 1.00 1.18 H new ATOM 1049 N VAL A 66 12.138 0.509 0.798 1.00 0.32 N ATOM 1050 CA VAL A 66 10.729 0.140 0.933 1.00 0.28 C ATOM 1051 C VAL A 66 9.801 1.043 0.117 1.00 0.25 C ATOM 1052 O VAL A 66 10.139 2.184 -0.209 1.00 0.30 O ATOM 1053 CB VAL A 66 10.298 0.154 2.426 1.00 0.29 C ATOM 1054 CG1 VAL A 66 11.058 -0.916 3.201 1.00 0.32 C ATOM 1055 CG2 VAL A 66 10.525 1.525 3.057 1.00 0.31 C ATOM 0 H VAL A 66 12.381 1.392 1.246 1.00 0.32 H new ATOM 0 HA VAL A 66 10.635 -0.870 0.535 1.00 0.28 H new ATOM 0 HB VAL A 66 9.231 -0.062 2.471 1.00 0.29 H new ATOM 0 HG11 VAL A 66 10.748 -0.897 4.246 1.00 0.32 H new ATOM 0 HG12 VAL A 66 10.842 -1.896 2.776 1.00 0.32 H new ATOM 0 HG13 VAL A 66 12.128 -0.721 3.136 1.00 0.32 H new ATOM 0 HG21 VAL A 66 10.213 1.501 4.101 1.00 0.31 H new ATOM 0 HG22 VAL A 66 11.583 1.781 3.000 1.00 0.31 H new ATOM 0 HG23 VAL A 66 9.941 2.273 2.521 1.00 0.31 H new ATOM 1065 N TYR A 67 8.630 0.498 -0.214 1.00 0.23 N ATOM 1066 CA TYR A 67 7.580 1.217 -0.936 1.00 0.22 C ATOM 1067 C TYR A 67 7.010 2.340 -0.068 1.00 0.23 C ATOM 1068 O TYR A 67 6.600 2.098 1.069 1.00 0.36 O ATOM 1069 CB TYR A 67 6.426 0.259 -1.305 1.00 0.22 C ATOM 1070 CG TYR A 67 6.563 -0.480 -2.624 1.00 0.20 C ATOM 1071 CD1 TYR A 67 6.868 0.193 -3.803 1.00 1.16 C ATOM 1072 CD2 TYR A 67 6.280 -1.843 -2.706 1.00 1.15 C ATOM 1073 CE1 TYR A 67 6.951 -0.481 -5.009 1.00 1.13 C ATOM 1074 CE2 TYR A 67 6.356 -2.522 -3.909 1.00 1.19 C ATOM 1075 CZ TYR A 67 6.697 -1.838 -5.058 1.00 0.26 C ATOM 1076 OH TYR A 67 6.770 -2.510 -6.259 1.00 0.32 O ATOM 0 H TYR A 67 8.381 -0.465 0.014 1.00 0.23 H new ATOM 0 HA TYR A 67 8.023 1.633 -1.841 1.00 0.22 H new ATOM 0 HB2 TYR A 67 6.325 -0.478 -0.508 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.499 0.832 -1.328 1.00 0.22 H new ATOM 0 HD1 TYR A 67 7.043 1.258 -3.777 1.00 1.16 H new ATOM 0 HD2 TYR A 67 5.996 -2.379 -1.813 1.00 1.15 H new ATOM 0 HE1 TYR A 67 7.214 0.053 -5.910 1.00 1.13 H new ATOM 0 HE2 TYR A 67 6.150 -3.581 -3.949 1.00 1.19 H new ATOM 0 HH TYR A 67 6.564 -3.457 -6.117 1.00 0.32 H new ATOM 1086 N CYS A 68 6.932 3.538 -0.630 1.00 0.17 N ATOM 1087 CA CYS A 68 6.356 4.696 0.060 1.00 0.17 C ATOM 1088 C CYS A 68 5.516 5.518 -0.909 1.00 0.20 C ATOM 1089 O CYS A 68 5.551 5.304 -2.123 1.00 0.27 O ATOM 1090 CB CYS A 68 7.455 5.566 0.686 1.00 0.16 C ATOM 1091 SG CYS A 68 6.854 6.883 1.776 1.00 1.61 S ATOM 0 H CYS A 68 7.263 3.740 -1.573 1.00 0.17 H new ATOM 0 HA CYS A 68 5.715 4.332 0.863 1.00 0.17 H new ATOM 0 HB2 CYS A 68 8.128 4.923 1.253 1.00 0.16 H new ATOM 0 HB3 CYS A 68 8.042 6.016 -0.114 1.00 0.16 H new ATOM 0 HG CYS A 68 7.865 7.550 2.249 1.00 1.61 H new ATOM 1097 N LEU A 69 4.743 6.447 -0.363 1.00 0.21 N ATOM 1098 CA LEU A 69 3.857 7.284 -1.170 1.00 0.25 C ATOM 1099 C LEU A 69 4.432 8.690 -1.375 1.00 0.30 C ATOM 1100 O LEU A 69 4.714 9.389 -0.398 1.00 0.41 O ATOM 1101 CB LEU A 69 2.470 7.377 -0.514 1.00 0.36 C ATOM 1102 CG LEU A 69 1.297 7.322 -1.495 1.00 0.48 C ATOM 1103 CD1 LEU A 69 1.244 5.962 -2.186 1.00 0.61 C ATOM 1104 CD2 LEU A 69 -0.013 7.623 -0.779 1.00 0.94 C ATOM 0 H LEU A 69 4.710 6.642 0.638 1.00 0.21 H new ATOM 0 HA LEU A 69 3.766 6.814 -2.149 1.00 0.25 H new ATOM 0 HB2 LEU A 69 2.366 6.562 0.203 1.00 0.36 H new ATOM 0 HB3 LEU A 69 2.411 8.307 0.051 1.00 0.36 H new ATOM 0 HG LEU A 69 1.446 8.085 -2.259 1.00 0.48 H new ATOM 0 HD11 LEU A 69 0.404 5.939 -2.880 1.00 0.61 H new ATOM 0 HD12 LEU A 69 2.172 5.795 -2.733 1.00 0.61 H new ATOM 0 HD13 LEU A 69 1.118 5.179 -1.439 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -0.836 7.579 -1.492 1.00 0.94 H new ATOM 0 HD22 LEU A 69 -0.175 6.886 0.008 1.00 0.94 H new ATOM 0 HD23 LEU A 69 0.033 8.619 -0.339 1.00 0.94 H new ATOM 1116 N PRO A 70 4.567 9.148 -2.649 1.00 0.37 N ATOM 1117 CA PRO A 70 5.039 10.511 -2.974 1.00 0.51 C ATOM 1118 C PRO A 70 4.026 11.580 -2.546 1.00 0.71 C ATOM 1119 O PRO A 70 3.389 11.471 -1.497 1.00 1.00 O ATOM 1120 CB PRO A 70 5.207 10.478 -4.514 1.00 0.70 C ATOM 1121 CG PRO A 70 5.185 9.039 -4.870 1.00 0.64 C ATOM 1122 CD PRO A 70 4.257 8.401 -3.882 1.00 0.41 C ATOM 0 HA PRO A 70 5.959 10.771 -2.451 1.00 0.51 H new ATOM 0 HB2 PRO A 70 4.402 11.020 -5.011 1.00 0.70 H new ATOM 0 HB3 PRO A 70 6.143 10.946 -4.819 1.00 0.70 H new ATOM 0 HG2 PRO A 70 4.834 8.892 -5.891 1.00 0.64 H new ATOM 0 HG3 PRO A 70 6.183 8.604 -4.810 1.00 0.64 H new ATOM 0 HD2 PRO A 70 3.212 8.509 -4.174 1.00 0.41 H new ATOM 0 HD3 PRO A 70 4.448 7.334 -3.772 1.00 0.41 H new ATOM 1130 N ALA A 71 3.865 12.589 -3.384 1.00 0.96 N ATOM 1131 CA ALA A 71 2.903 13.672 -3.143 1.00 1.23 C ATOM 1132 C ALA A 71 1.456 13.143 -3.084 1.00 1.34 C ATOM 1133 O ALA A 71 1.196 11.976 -3.394 1.00 1.89 O ATOM 1134 CB ALA A 71 3.033 14.741 -4.222 1.00 1.66 C ATOM 0 H ALA A 71 4.392 12.689 -4.252 1.00 0.96 H new ATOM 0 HA ALA A 71 3.133 14.113 -2.173 1.00 1.23 H new ATOM 0 HB1 ALA A 71 2.315 15.539 -4.032 1.00 1.66 H new ATOM 0 HB2 ALA A 71 4.043 15.151 -4.208 1.00 1.66 H new ATOM 0 HB3 ALA A 71 2.835 14.299 -5.198 1.00 1.66 H new ATOM 1140 N GLU A 72 0.516 14.017 -2.715 1.00 1.48 N ATOM 1141 CA GLU A 72 -0.895 13.652 -2.571 1.00 1.76 C ATOM 1142 C GLU A 72 -1.492 13.085 -3.870 1.00 1.89 C ATOM 1143 O GLU A 72 -1.672 13.813 -4.852 1.00 2.17 O ATOM 1144 CB GLU A 72 -1.695 14.879 -2.111 1.00 2.19 C ATOM 1145 CG GLU A 72 -1.095 15.579 -0.890 1.00 2.59 C ATOM 1146 CD GLU A 72 -0.300 16.819 -1.243 1.00 3.17 C ATOM 1147 OE1 GLU A 72 0.651 16.710 -2.040 1.00 3.75 O ATOM 1148 OE2 GLU A 72 -0.610 17.900 -0.712 1.00 3.59 O ATOM 0 H GLU A 72 0.712 14.996 -2.508 1.00 1.48 H new ATOM 0 HA GLU A 72 -0.958 12.862 -1.823 1.00 1.76 H new ATOM 0 HB2 GLU A 72 -1.757 15.591 -2.934 1.00 2.19 H new ATOM 0 HB3 GLU A 72 -2.714 14.571 -1.878 1.00 2.19 H new ATOM 0 HG2 GLU A 72 -1.898 15.853 -0.205 1.00 2.59 H new ATOM 0 HG3 GLU A 72 -0.449 14.880 -0.360 1.00 2.59 H new ATOM 1155 N LEU A 73 -1.777 11.781 -3.859 1.00 2.03 N ATOM 1156 CA LEU A 73 -2.353 11.084 -5.011 1.00 2.45 C ATOM 1157 C LEU A 73 -3.336 10.012 -4.528 1.00 3.07 C ATOM 1158 O LEU A 73 -2.922 8.961 -4.034 1.00 3.39 O ATOM 1159 CB LEU A 73 -1.242 10.447 -5.875 1.00 2.45 C ATOM 1160 CG LEU A 73 -1.625 10.168 -7.337 1.00 2.84 C ATOM 1161 CD1 LEU A 73 -1.700 11.462 -8.139 1.00 3.20 C ATOM 1162 CD2 LEU A 73 -0.639 9.198 -7.976 1.00 3.46 C ATOM 0 H LEU A 73 -1.615 11.179 -3.052 1.00 2.03 H new ATOM 0 HA LEU A 73 -2.888 11.806 -5.627 1.00 2.45 H new ATOM 0 HB2 LEU A 73 -0.373 11.105 -5.864 1.00 2.45 H new ATOM 0 HB3 LEU A 73 -0.937 9.509 -5.411 1.00 2.45 H new ATOM 0 HG LEU A 73 -2.613 9.708 -7.344 1.00 2.84 H new ATOM 0 HD11 LEU A 73 -1.973 11.236 -9.170 1.00 3.20 H new ATOM 0 HD12 LEU A 73 -2.451 12.119 -7.701 1.00 3.20 H new ATOM 0 HD13 LEU A 73 -0.730 11.958 -8.121 1.00 3.20 H new ATOM 0 HD21 LEU A 73 -0.928 9.014 -9.011 1.00 3.46 H new ATOM 0 HD22 LEU A 73 0.362 9.627 -7.950 1.00 3.46 H new ATOM 0 HD23 LEU A 73 -0.645 8.258 -7.425 1.00 3.46 H new ATOM 1174 N GLY A 74 -4.634 10.301 -4.634 1.00 3.54 N ATOM 1175 CA GLY A 74 -5.662 9.369 -4.176 1.00 4.27 C ATOM 1176 C GLY A 74 -6.780 9.194 -5.188 1.00 4.79 C ATOM 1177 O GLY A 74 -6.767 8.248 -5.978 1.00 5.47 O ATOM 0 H GLY A 74 -4.996 11.168 -5.031 1.00 3.54 H new ATOM 0 HA2 GLY A 74 -5.205 8.400 -3.973 1.00 4.27 H new ATOM 0 HA3 GLY A 74 -6.080 9.728 -3.236 1.00 4.27 H new ATOM 1181 N VAL A 75 -7.756 10.101 -5.156 1.00 4.77 N ATOM 1182 CA VAL A 75 -8.892 10.064 -6.080 1.00 5.51 C ATOM 1183 C VAL A 75 -8.545 10.806 -7.381 1.00 5.62 C ATOM 1184 O VAL A 75 -8.048 11.935 -7.341 1.00 5.34 O ATOM 1185 CB VAL A 75 -10.159 10.696 -5.443 1.00 5.98 C ATOM 1186 CG1 VAL A 75 -11.420 10.259 -6.182 1.00 6.16 C ATOM 1187 CG2 VAL A 75 -10.267 10.334 -3.965 1.00 6.50 C ATOM 0 H VAL A 75 -7.783 10.877 -4.495 1.00 4.77 H new ATOM 0 HA VAL A 75 -9.104 9.018 -6.303 1.00 5.51 H new ATOM 0 HB VAL A 75 -10.064 11.778 -5.529 1.00 5.98 H new ATOM 0 HG11 VAL A 75 -12.292 10.716 -5.715 1.00 6.16 H new ATOM 0 HG12 VAL A 75 -11.359 10.574 -7.224 1.00 6.16 H new ATOM 0 HG13 VAL A 75 -11.511 9.174 -6.136 1.00 6.16 H new ATOM 0 HG21 VAL A 75 -11.163 10.789 -3.543 1.00 6.50 H new ATOM 0 HG22 VAL A 75 -10.326 9.251 -3.859 1.00 6.50 H new ATOM 0 HG23 VAL A 75 -9.389 10.703 -3.435 1.00 6.50 H new ATOM 1197 N PRO A 76 -8.793 10.179 -8.556 1.00 6.42 N ATOM 1198 CA PRO A 76 -8.488 10.787 -9.866 1.00 6.97 C ATOM 1199 C PRO A 76 -9.477 11.902 -10.250 1.00 7.29 C ATOM 1200 O PRO A 76 -10.332 11.725 -11.123 1.00 7.83 O ATOM 1201 CB PRO A 76 -8.578 9.591 -10.827 1.00 7.90 C ATOM 1202 CG PRO A 76 -9.560 8.669 -10.189 1.00 8.03 C ATOM 1203 CD PRO A 76 -9.369 8.822 -8.700 1.00 7.16 C ATOM 0 HA PRO A 76 -7.518 11.284 -9.880 1.00 6.97 H new ATOM 0 HB2 PRO A 76 -8.912 9.902 -11.817 1.00 7.90 H new ATOM 0 HB3 PRO A 76 -7.608 9.111 -10.954 1.00 7.90 H new ATOM 0 HG2 PRO A 76 -10.579 8.923 -10.480 1.00 8.03 H new ATOM 0 HG3 PRO A 76 -9.387 7.639 -10.501 1.00 8.03 H new ATOM 0 HD2 PRO A 76 -10.313 8.729 -8.164 1.00 7.16 H new ATOM 0 HD3 PRO A 76 -8.700 8.059 -8.302 1.00 7.16 H new ATOM 1211 N THR A 77 -9.356 13.044 -9.577 1.00 7.25 N ATOM 1212 CA THR A 77 -10.221 14.198 -9.821 1.00 7.86 C ATOM 1213 C THR A 77 -9.646 15.427 -9.108 1.00 8.48 C ATOM 1214 O THR A 77 -9.419 15.402 -7.894 1.00 8.73 O ATOM 1215 CB THR A 77 -11.668 13.904 -9.340 1.00 7.90 C ATOM 1216 OG1 THR A 77 -12.507 15.040 -9.503 1.00 8.72 O ATOM 1217 CG2 THR A 77 -11.774 13.461 -7.882 1.00 7.87 C ATOM 0 H THR A 77 -8.658 13.196 -8.849 1.00 7.25 H new ATOM 0 HA THR A 77 -10.260 14.399 -10.892 1.00 7.86 H new ATOM 0 HB THR A 77 -11.991 13.075 -9.969 1.00 7.90 H new ATOM 0 HG1 THR A 77 -13.412 14.825 -9.194 1.00 8.72 H new ATOM 0 HG21 THR A 77 -12.819 13.278 -7.632 1.00 7.87 H new ATOM 0 HG22 THR A 77 -11.200 12.546 -7.737 1.00 7.87 H new ATOM 0 HG23 THR A 77 -11.378 14.243 -7.234 1.00 7.87 H new ATOM 1225 N THR A 78 -9.374 16.483 -9.872 1.00 9.01 N ATOM 1226 CA THR A 78 -8.820 17.717 -9.320 1.00 9.88 C ATOM 1227 C THR A 78 -8.938 18.851 -10.344 1.00 10.40 C ATOM 1228 O THR A 78 -9.562 19.879 -10.021 1.00 10.57 O ATOM 1229 CB THR A 78 -7.352 17.510 -8.888 1.00 10.27 C ATOM 1230 OG1 THR A 78 -6.859 18.648 -8.199 1.00 10.30 O ATOM 1231 CG2 THR A 78 -6.401 17.218 -10.036 1.00 10.39 C ATOM 1232 OXT THR A 78 -8.447 18.686 -11.477 1.00 10.83 O ATOM 0 H THR A 78 -9.529 16.508 -10.880 1.00 9.01 H new ATOM 0 HA THR A 78 -9.392 17.993 -8.434 1.00 9.88 H new ATOM 0 HB THR A 78 -7.379 16.634 -8.240 1.00 10.27 H new ATOM 0 HG1 THR A 78 -5.928 18.492 -7.934 1.00 10.30 H new ATOM 0 HG21 THR A 78 -5.391 17.086 -9.647 1.00 10.39 H new ATOM 0 HG22 THR A 78 -6.715 16.308 -10.546 1.00 10.39 H new ATOM 0 HG23 THR A 78 -6.413 18.051 -10.739 1.00 10.39 H new TER 1240 THR A 78