USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 LYS NZ :NH3+ 180:sc= 0.883 (180deg=-0.000581) USER MOD Set 1.2: A 81 THR OG1 : rot 85:sc= 2.08 USER MOD Set 1.3: A 84 ASN : amide:sc= -2.49! C(o=0.47!,f=-3.3!) USER MOD Single : A 6 THR OG1 : rot 27:sc= 0.25 USER MOD Single : A 8 GLN : amide:sc= 0.373 X(o=0.37,f=-0.064) USER MOD Single : A 15 GLN : amide:sc= 0.8 K(o=0.8,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.18 K(o=-1.2,f=-3.1!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc=-0.00298 X(o=-0.003,f=0) USER MOD Single : A 29 TYR OH : rot -30:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.00651 X(o=-0.0065,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -31:sc= 0.27 USER MOD Single : A 40 TYR OH : rot 30:sc= 0.00853 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.6) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -21:sc= 0.682 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 6:sc= 0.732 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0955 K(o=-0.095,f=-1.3) USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= -0.0229 (180deg=-0.218) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 9.969 -6.205 1.616 1.00 0.00 N ATOM 83 CA THR A 6 9.655 -6.946 2.829 1.00 0.00 C ATOM 84 C THR A 6 10.773 -7.948 3.114 1.00 0.00 C ATOM 85 O THR A 6 11.669 -8.124 2.290 1.00 0.00 O ATOM 86 CB THR A 6 8.296 -7.640 2.648 1.00 0.00 C ATOM 87 OG1 THR A 6 7.332 -6.696 2.229 1.00 0.00 O ATOM 88 CG2 THR A 6 7.801 -8.278 3.942 1.00 0.00 C ATOM 0 HA THR A 6 9.584 -6.276 3.686 1.00 0.00 H new ATOM 0 HB THR A 6 8.433 -8.422 1.901 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.777 -5.963 1.755 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.838 -8.757 3.766 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.521 -9.024 4.278 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.690 -7.510 4.707 1.00 0.00 H new ATOM 96 N ASP A 7 10.729 -8.610 4.272 1.00 0.00 N ATOM 97 CA ASP A 7 11.740 -9.579 4.675 1.00 0.00 C ATOM 98 C ASP A 7 11.930 -10.683 3.634 1.00 0.00 C ATOM 99 O ASP A 7 12.938 -11.381 3.648 1.00 0.00 O ATOM 100 CB ASP A 7 11.351 -10.185 6.021 1.00 0.00 C ATOM 101 CG ASP A 7 10.029 -10.950 5.949 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.057 -12.120 5.506 1.00 0.00 O ATOM 103 OD2 ASP A 7 9.000 -10.355 6.337 1.00 0.00 O ATOM 0 H ASP A 7 9.985 -8.485 4.958 1.00 0.00 H new ATOM 0 HA ASP A 7 12.692 -9.055 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.140 -10.858 6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.270 -9.392 6.765 1.00 0.00 H new ATOM 108 N GLN A 8 10.968 -10.848 2.723 1.00 0.00 N ATOM 109 CA GLN A 8 11.073 -11.826 1.659 1.00 0.00 C ATOM 110 C GLN A 8 12.204 -11.451 0.707 1.00 0.00 C ATOM 111 O GLN A 8 13.074 -12.272 0.419 1.00 0.00 O ATOM 112 CB GLN A 8 9.737 -11.885 0.913 1.00 0.00 C ATOM 113 CG GLN A 8 9.787 -12.825 -0.295 1.00 0.00 C ATOM 114 CD GLN A 8 10.109 -14.257 0.114 1.00 0.00 C ATOM 115 OE1 GLN A 8 9.212 -15.061 0.349 1.00 0.00 O ATOM 116 NE2 GLN A 8 11.391 -14.588 0.210 1.00 0.00 N ATOM 0 H GLN A 8 10.103 -10.307 2.709 1.00 0.00 H new ATOM 0 HA GLN A 8 11.299 -12.807 2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.956 -12.217 1.597 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.465 -10.883 0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.828 -12.802 -0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.539 -12.471 -1.000 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.113 -13.896 0.008 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.654 -15.534 0.486 1.00 0.00 H new ATOM 125 N VAL A 9 12.196 -10.210 0.216 1.00 0.00 N ATOM 126 CA VAL A 9 13.180 -9.748 -0.755 1.00 0.00 C ATOM 127 C VAL A 9 14.436 -9.244 -0.049 1.00 0.00 C ATOM 128 O VAL A 9 15.517 -9.264 -0.632 1.00 0.00 O ATOM 129 CB VAL A 9 12.539 -8.683 -1.651 1.00 0.00 C ATOM 130 CG1 VAL A 9 11.879 -7.578 -0.830 1.00 0.00 C ATOM 131 CG2 VAL A 9 13.570 -8.053 -2.586 1.00 0.00 C ATOM 0 H VAL A 9 11.510 -9.503 0.481 1.00 0.00 H new ATOM 0 HA VAL A 9 13.496 -10.575 -1.390 1.00 0.00 H new ATOM 0 HB VAL A 9 11.776 -9.192 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.436 -6.842 -1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.101 -8.009 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.628 -7.094 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.085 -7.301 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.357 -7.583 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.005 -8.825 -3.221 1.00 0.00 H new ATOM 141 N LEU A 10 14.312 -8.797 1.205 1.00 0.00 N ATOM 142 CA LEU A 10 15.459 -8.332 1.970 1.00 0.00 C ATOM 143 C LEU A 10 16.360 -9.500 2.354 1.00 0.00 C ATOM 144 O LEU A 10 17.562 -9.309 2.504 1.00 0.00 O ATOM 145 CB LEU A 10 14.971 -7.580 3.208 1.00 0.00 C ATOM 146 CG LEU A 10 14.901 -6.071 2.964 1.00 0.00 C ATOM 147 CD1 LEU A 10 14.039 -5.710 1.760 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.318 -5.388 4.200 1.00 0.00 C ATOM 0 H LEU A 10 13.425 -8.750 1.707 1.00 0.00 H new ATOM 0 HA LEU A 10 16.050 -7.652 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.985 -7.949 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.640 -7.783 4.044 1.00 0.00 H new ATOM 0 HG LEU A 10 15.917 -5.730 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.025 -4.627 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.452 -6.174 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.023 -6.070 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.266 -4.312 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.317 -5.774 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.955 -5.590 5.061 1.00 0.00 H new ATOM 160 N VAL A 11 15.807 -10.709 2.513 1.00 0.00 N ATOM 161 CA VAL A 11 16.638 -11.869 2.804 1.00 0.00 C ATOM 162 C VAL A 11 17.235 -12.417 1.511 1.00 0.00 C ATOM 163 O VAL A 11 18.317 -12.999 1.531 1.00 0.00 O ATOM 164 CB VAL A 11 15.838 -12.931 3.564 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.635 -14.231 3.688 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.554 -12.430 4.981 1.00 0.00 C ATOM 0 H VAL A 11 14.808 -10.901 2.446 1.00 0.00 H new ATOM 0 HA VAL A 11 17.462 -11.568 3.451 1.00 0.00 H new ATOM 0 HB VAL A 11 14.915 -13.115 3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.045 -14.969 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 11 16.866 -14.612 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.562 -14.039 4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.985 -13.183 5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.496 -12.244 5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.979 -11.505 4.932 1.00 0.00 H new ATOM 176 N GLU A 12 16.556 -12.237 0.375 1.00 0.00 N ATOM 177 CA GLU A 12 17.127 -12.652 -0.895 1.00 0.00 C ATOM 178 C GLU A 12 18.283 -11.736 -1.281 1.00 0.00 C ATOM 179 O GLU A 12 19.276 -12.199 -1.839 1.00 0.00 O ATOM 180 CB GLU A 12 16.058 -12.599 -1.986 1.00 0.00 C ATOM 181 CG GLU A 12 15.081 -13.762 -1.844 1.00 0.00 C ATOM 182 CD GLU A 12 14.035 -13.731 -2.957 1.00 0.00 C ATOM 183 OE1 GLU A 12 14.410 -14.060 -4.107 1.00 0.00 O ATOM 184 OE2 GLU A 12 12.873 -13.380 -2.656 1.00 0.00 O ATOM 0 H GLU A 12 15.629 -11.815 0.314 1.00 0.00 H new ATOM 0 HA GLU A 12 17.497 -13.672 -0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.517 -11.654 -1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.531 -12.634 -2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.625 -14.706 -1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.587 -13.712 -0.873 1.00 0.00 H new ATOM 191 N ARG A 13 18.162 -10.439 -0.987 1.00 0.00 N ATOM 192 CA ARG A 13 19.150 -9.459 -1.407 1.00 0.00 C ATOM 193 C ARG A 13 20.451 -9.597 -0.621 1.00 0.00 C ATOM 194 O ARG A 13 21.526 -9.414 -1.187 1.00 0.00 O ATOM 195 CB ARG A 13 18.533 -8.064 -1.282 1.00 0.00 C ATOM 196 CG ARG A 13 19.510 -7.015 -1.804 1.00 0.00 C ATOM 197 CD ARG A 13 18.800 -5.686 -2.052 1.00 0.00 C ATOM 198 NE ARG A 13 19.692 -4.751 -2.744 1.00 0.00 N ATOM 199 CZ ARG A 13 19.337 -3.524 -3.132 1.00 0.00 C ATOM 200 NH1 ARG A 13 18.129 -3.041 -2.866 1.00 0.00 N ATOM 201 NH2 ARG A 13 20.212 -2.777 -3.798 1.00 0.00 N ATOM 0 H ARG A 13 17.383 -10.048 -0.457 1.00 0.00 H new ATOM 0 HA ARG A 13 19.421 -9.632 -2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.601 -8.017 -1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.287 -7.858 -0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.316 -6.873 -1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.967 -7.366 -2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.903 -5.852 -2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.477 -5.256 -1.104 1.00 0.00 H new ATOM 0 HE ARG A 13 20.645 -5.057 -2.942 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.453 -3.610 -2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.877 -2.101 -3.171 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.141 -3.143 -4.006 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.954 -1.838 -4.101 1.00 0.00 H new ATOM 215 N VAL A 14 20.379 -9.927 0.672 1.00 0.00 N ATOM 216 CA VAL A 14 21.581 -10.130 1.473 1.00 0.00 C ATOM 217 C VAL A 14 22.275 -11.433 1.094 1.00 0.00 C ATOM 218 O VAL A 14 23.481 -11.565 1.294 1.00 0.00 O ATOM 219 CB VAL A 14 21.242 -10.108 2.964 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.635 -8.764 3.340 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.264 -11.203 3.354 1.00 0.00 C ATOM 0 H VAL A 14 19.504 -10.058 1.180 1.00 0.00 H new ATOM 0 HA VAL A 14 22.270 -9.311 1.266 1.00 0.00 H new ATOM 0 HB VAL A 14 22.176 -10.276 3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.397 -8.757 4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.348 -7.969 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.725 -8.602 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.057 -11.143 4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.336 -11.077 2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.696 -12.176 3.123 1.00 0.00 H new ATOM 231 N GLN A 15 21.530 -12.400 0.541 1.00 0.00 N ATOM 232 CA GLN A 15 22.109 -13.643 0.048 1.00 0.00 C ATOM 233 C GLN A 15 22.752 -13.420 -1.320 1.00 0.00 C ATOM 234 O GLN A 15 23.574 -14.225 -1.754 1.00 0.00 O ATOM 235 CB GLN A 15 21.025 -14.719 -0.011 1.00 0.00 C ATOM 236 CG GLN A 15 20.584 -15.137 1.396 1.00 0.00 C ATOM 237 CD GLN A 15 19.452 -16.164 1.351 1.00 0.00 C ATOM 238 OE1 GLN A 15 18.889 -16.440 0.295 1.00 0.00 O ATOM 239 NE2 GLN A 15 19.104 -16.742 2.499 1.00 0.00 N ATOM 0 H GLN A 15 20.518 -12.338 0.426 1.00 0.00 H new ATOM 0 HA GLN A 15 22.892 -13.980 0.728 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.166 -14.344 -0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.400 -15.588 -0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.434 -15.556 1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.256 -14.258 1.951 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.588 -16.494 3.362 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.353 -17.432 2.515 1.00 0.00 H new ATOM 248 N LYS A 16 22.387 -12.328 -2.005 1.00 0.00 N ATOM 249 CA LYS A 16 23.001 -11.927 -3.257 1.00 0.00 C ATOM 250 C LYS A 16 24.296 -11.140 -3.032 1.00 0.00 C ATOM 251 O LYS A 16 24.991 -10.813 -3.993 1.00 0.00 O ATOM 252 CB LYS A 16 21.983 -11.117 -4.069 1.00 0.00 C ATOM 253 CG LYS A 16 21.716 -11.813 -5.401 1.00 0.00 C ATOM 254 CD LYS A 16 20.967 -13.137 -5.228 1.00 0.00 C ATOM 255 CE LYS A 16 19.500 -12.909 -4.862 1.00 0.00 C ATOM 256 NZ LYS A 16 18.778 -14.187 -4.734 1.00 0.00 N ATOM 0 H LYS A 16 21.648 -11.698 -1.693 1.00 0.00 H new ATOM 0 HA LYS A 16 23.283 -12.819 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.054 -11.016 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.361 -10.110 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.135 -11.151 -6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.663 -11.998 -5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 16 21.027 -13.713 -6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 16 21.449 -13.730 -4.450 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.438 -12.358 -3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.023 -12.294 -5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.785 -14.002 -4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.818 -14.701 -5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.220 -14.762 -3.989 1.00 0.00 H new ATOM 270 N GLY A 17 24.622 -10.841 -1.772 1.00 0.00 N ATOM 271 CA GLY A 17 25.877 -10.192 -1.411 1.00 0.00 C ATOM 272 C GLY A 17 25.705 -8.734 -0.988 1.00 0.00 C ATOM 273 O GLY A 17 26.692 -8.075 -0.661 1.00 0.00 O ATOM 0 H GLY A 17 24.019 -11.044 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.343 -10.746 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.559 -10.238 -2.260 1.00 0.00 H new ATOM 277 N ASP A 18 24.472 -8.217 -0.987 1.00 0.00 N ATOM 278 CA ASP A 18 24.199 -6.850 -0.571 1.00 0.00 C ATOM 279 C ASP A 18 23.946 -6.815 0.934 1.00 0.00 C ATOM 280 O ASP A 18 22.801 -6.849 1.381 1.00 0.00 O ATOM 281 CB ASP A 18 22.995 -6.314 -1.352 1.00 0.00 C ATOM 282 CG ASP A 18 23.353 -5.789 -2.743 1.00 0.00 C ATOM 283 OD1 ASP A 18 24.470 -6.083 -3.222 1.00 0.00 O ATOM 284 OD2 ASP A 18 22.486 -5.091 -3.317 1.00 0.00 O ATOM 0 H ASP A 18 23.643 -8.737 -1.274 1.00 0.00 H new ATOM 0 HA ASP A 18 25.057 -6.213 -0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.254 -7.108 -1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.528 -5.513 -0.779 1.00 0.00 H new ATOM 289 N GLN A 19 25.023 -6.745 1.726 1.00 0.00 N ATOM 290 CA GLN A 19 24.930 -6.699 3.179 1.00 0.00 C ATOM 291 C GLN A 19 24.213 -5.429 3.638 1.00 0.00 C ATOM 292 O GLN A 19 23.700 -5.372 4.753 1.00 0.00 O ATOM 293 CB GLN A 19 26.351 -6.814 3.750 1.00 0.00 C ATOM 294 CG GLN A 19 26.375 -6.926 5.276 1.00 0.00 C ATOM 295 CD GLN A 19 26.301 -5.579 5.989 1.00 0.00 C ATOM 296 OE1 GLN A 19 26.477 -4.525 5.383 1.00 0.00 O ATOM 297 NE2 GLN A 19 26.043 -5.598 7.294 1.00 0.00 N ATOM 0 H GLN A 19 25.979 -6.719 1.372 1.00 0.00 H new ATOM 0 HA GLN A 19 24.333 -7.531 3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.840 -7.688 3.319 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.930 -5.942 3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.538 -7.545 5.600 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.288 -7.439 5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 19 25.901 -6.487 7.773 1.00 0.00 H new ATOM 0 HE22 GLN A 19 25.987 -4.723 7.816 1.00 0.00 H new ATOM 306 N LYS A 20 24.170 -4.406 2.779 1.00 0.00 N ATOM 307 CA LYS A 20 23.481 -3.157 3.065 1.00 0.00 C ATOM 308 C LYS A 20 21.984 -3.380 3.249 1.00 0.00 C ATOM 309 O LYS A 20 21.318 -2.577 3.896 1.00 0.00 O ATOM 310 CB LYS A 20 23.752 -2.181 1.917 1.00 0.00 C ATOM 311 CG LYS A 20 23.227 -2.722 0.583 1.00 0.00 C ATOM 312 CD LYS A 20 23.702 -1.825 -0.558 1.00 0.00 C ATOM 313 CE LYS A 20 23.188 -2.373 -1.886 1.00 0.00 C ATOM 314 NZ LYS A 20 23.685 -1.569 -3.018 1.00 0.00 N ATOM 0 H LYS A 20 24.617 -4.427 1.862 1.00 0.00 H new ATOM 0 HA LYS A 20 23.856 -2.741 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.279 -1.223 2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.824 -1.997 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.580 -3.741 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 20 22.138 -2.761 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 20 23.341 -0.807 -0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.791 -1.779 -0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 20 23.506 -3.409 -2.004 1.00 0.00 H new ATOM 0 HE3 LYS A 20 22.098 -2.373 -1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 23.321 -1.962 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 23.360 -0.586 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 24.725 -1.590 -3.029 1.00 0.00 H new ATOM 328 N ALA A 21 21.447 -4.467 2.688 1.00 0.00 N ATOM 329 CA ALA A 21 20.042 -4.795 2.844 1.00 0.00 C ATOM 330 C ALA A 21 19.796 -5.494 4.182 1.00 0.00 C ATOM 331 O ALA A 21 18.661 -5.537 4.649 1.00 0.00 O ATOM 332 CB ALA A 21 19.578 -5.651 1.669 1.00 0.00 C ATOM 0 H ALA A 21 21.973 -5.132 2.121 1.00 0.00 H new ATOM 0 HA ALA A 21 19.457 -3.875 2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.523 -5.895 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.718 -5.100 0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.161 -6.571 1.636 1.00 0.00 H new ATOM 338 N PHE A 22 20.848 -6.038 4.804 1.00 0.00 N ATOM 339 CA PHE A 22 20.716 -6.666 6.109 1.00 0.00 C ATOM 340 C PHE A 22 20.627 -5.581 7.173 1.00 0.00 C ATOM 341 O PHE A 22 19.896 -5.725 8.147 1.00 0.00 O ATOM 342 CB PHE A 22 21.895 -7.600 6.379 1.00 0.00 C ATOM 343 CG PHE A 22 21.747 -8.353 7.682 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.725 -9.303 7.824 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.621 -8.099 8.746 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.583 -10.004 9.029 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.478 -8.795 9.954 1.00 0.00 C ATOM 348 CZ PHE A 22 21.459 -9.750 10.094 1.00 0.00 C ATOM 0 H PHE A 22 21.793 -6.053 4.421 1.00 0.00 H new ATOM 0 HA PHE A 22 19.808 -7.269 6.134 1.00 0.00 H new ATOM 0 HB2 PHE A 22 21.986 -8.312 5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.817 -7.020 6.401 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.048 -9.494 7.005 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.406 -7.366 8.636 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.799 -10.739 9.137 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.151 -8.597 10.776 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.350 -10.290 11.023 1.00 0.00 H new ATOM 358 N ASN A 23 21.366 -4.486 6.991 1.00 0.00 N ATOM 359 CA ASN A 23 21.326 -3.363 7.913 1.00 0.00 C ATOM 360 C ASN A 23 19.922 -2.761 7.933 1.00 0.00 C ATOM 361 O ASN A 23 19.407 -2.407 8.991 1.00 0.00 O ATOM 362 CB ASN A 23 22.353 -2.342 7.430 1.00 0.00 C ATOM 363 CG ASN A 23 22.158 -0.978 8.072 1.00 0.00 C ATOM 364 OD1 ASN A 23 22.556 -0.750 9.211 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.535 -0.065 7.336 1.00 0.00 N ATOM 0 H ASN A 23 22.003 -4.358 6.205 1.00 0.00 H new ATOM 0 HA ASN A 23 21.563 -3.678 8.929 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.356 -2.706 7.653 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.283 -2.244 6.347 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.371 0.868 7.713 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.221 -0.297 6.394 1.00 0.00 H new ATOM 372 N LEU A 24 19.304 -2.652 6.751 1.00 0.00 N ATOM 373 CA LEU A 24 17.946 -2.143 6.626 1.00 0.00 C ATOM 374 C LEU A 24 16.919 -3.183 7.079 1.00 0.00 C ATOM 375 O LEU A 24 15.780 -2.831 7.375 1.00 0.00 O ATOM 376 CB LEU A 24 17.700 -1.750 5.167 1.00 0.00 C ATOM 377 CG LEU A 24 18.638 -0.632 4.703 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.433 -0.406 3.205 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.361 0.671 5.450 1.00 0.00 C ATOM 0 H LEU A 24 19.733 -2.914 5.864 1.00 0.00 H new ATOM 0 HA LEU A 24 17.832 -1.271 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.836 -2.624 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.666 -1.427 5.049 1.00 0.00 H new ATOM 0 HG LEU A 24 19.665 -0.932 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.096 0.389 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.659 -1.325 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.398 -0.120 3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.043 1.445 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.333 0.984 5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.509 0.516 6.519 1.00 0.00 H new ATOM 391 N LEU A 25 17.311 -4.459 7.137 1.00 0.00 N ATOM 392 CA LEU A 25 16.436 -5.520 7.592 1.00 0.00 C ATOM 393 C LEU A 25 16.434 -5.620 9.114 1.00 0.00 C ATOM 394 O LEU A 25 15.364 -5.706 9.714 1.00 0.00 O ATOM 395 CB LEU A 25 16.872 -6.836 6.939 1.00 0.00 C ATOM 396 CG LEU A 25 16.046 -8.045 7.400 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.571 -7.892 7.042 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.588 -9.295 6.713 1.00 0.00 C ATOM 0 H LEU A 25 18.243 -4.775 6.869 1.00 0.00 H new ATOM 0 HA LEU A 25 15.411 -5.298 7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.791 -6.741 5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.923 -7.015 7.165 1.00 0.00 H new ATOM 0 HG LEU A 25 16.127 -8.121 8.484 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.021 -8.768 7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.170 -7.000 7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.467 -7.798 5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.011 -10.164 7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.506 -9.180 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.634 -9.435 6.985 1.00 0.00 H new ATOM 410 N VAL A 26 17.606 -5.615 9.757 1.00 0.00 N ATOM 411 CA VAL A 26 17.645 -5.816 11.198 1.00 0.00 C ATOM 412 C VAL A 26 17.017 -4.647 11.938 1.00 0.00 C ATOM 413 O VAL A 26 16.562 -4.842 13.056 1.00 0.00 O ATOM 414 CB VAL A 26 19.068 -6.050 11.724 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.718 -7.245 11.037 1.00 0.00 C ATOM 416 CG2 VAL A 26 19.943 -4.808 11.577 1.00 0.00 C ATOM 0 H VAL A 26 18.514 -5.478 9.313 1.00 0.00 H new ATOM 0 HA VAL A 26 17.063 -6.718 11.390 1.00 0.00 H new ATOM 0 HB VAL A 26 18.981 -6.268 12.788 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.725 -7.387 11.429 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.125 -8.140 11.226 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.769 -7.064 9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 26 20.941 -5.018 11.962 1.00 0.00 H new ATOM 0 HG22 VAL A 26 20.010 -4.533 10.524 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.503 -3.985 12.140 1.00 0.00 H new ATOM 426 N VAL A 27 16.980 -3.449 11.349 1.00 0.00 N ATOM 427 CA VAL A 27 16.415 -2.304 12.053 1.00 0.00 C ATOM 428 C VAL A 27 14.895 -2.438 12.182 1.00 0.00 C ATOM 429 O VAL A 27 14.307 -1.896 13.117 1.00 0.00 O ATOM 430 CB VAL A 27 16.847 -0.996 11.376 1.00 0.00 C ATOM 431 CG1 VAL A 27 16.297 -0.887 9.961 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.382 0.211 12.190 1.00 0.00 C ATOM 0 H VAL A 27 17.326 -3.252 10.410 1.00 0.00 H new ATOM 0 HA VAL A 27 16.807 -2.279 13.070 1.00 0.00 H new ATOM 0 HB VAL A 27 17.936 -1.007 11.325 1.00 0.00 H new ATOM 0 HG11 VAL A 27 16.624 0.052 9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.664 -1.721 9.363 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.208 -0.914 9.991 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.698 1.128 11.693 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.295 0.198 12.271 1.00 0.00 H new ATOM 0 HG23 VAL A 27 16.821 0.168 13.187 1.00 0.00 H new ATOM 442 N ARG A 28 14.249 -3.159 11.255 1.00 0.00 N ATOM 443 CA ARG A 28 12.816 -3.415 11.342 1.00 0.00 C ATOM 444 C ARG A 28 12.535 -4.330 12.526 1.00 0.00 C ATOM 445 O ARG A 28 11.485 -4.239 13.163 1.00 0.00 O ATOM 446 CB ARG A 28 12.317 -4.097 10.061 1.00 0.00 C ATOM 447 CG ARG A 28 12.758 -3.359 8.793 1.00 0.00 C ATOM 448 CD ARG A 28 12.227 -4.052 7.534 1.00 0.00 C ATOM 449 NE ARG A 28 10.767 -3.940 7.419 1.00 0.00 N ATOM 450 CZ ARG A 28 10.102 -3.913 6.260 1.00 0.00 C ATOM 451 NH1 ARG A 28 10.745 -3.980 5.096 1.00 0.00 N ATOM 452 NH2 ARG A 28 8.776 -3.815 6.264 1.00 0.00 N ATOM 0 H ARG A 28 14.701 -3.572 10.439 1.00 0.00 H new ATOM 0 HA ARG A 28 12.299 -2.464 11.470 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.690 -5.121 10.030 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.229 -4.154 10.084 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.398 -2.331 8.824 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.846 -3.315 8.755 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.695 -3.612 6.653 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.510 -5.105 7.553 1.00 0.00 H new ATOM 0 HE ARG A 28 10.225 -3.879 8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.762 -4.053 5.079 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.220 -3.958 4.222 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.271 -3.761 7.149 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.264 -3.794 5.382 1.00 0.00 H new ATOM 466 N TYR A 29 13.486 -5.218 12.818 1.00 0.00 N ATOM 467 CA TYR A 29 13.348 -6.188 13.890 1.00 0.00 C ATOM 468 C TYR A 29 14.111 -5.786 15.145 1.00 0.00 C ATOM 469 O TYR A 29 13.950 -6.426 16.177 1.00 0.00 O ATOM 470 CB TYR A 29 13.794 -7.552 13.372 1.00 0.00 C ATOM 471 CG TYR A 29 12.857 -8.097 12.322 1.00 0.00 C ATOM 472 CD1 TYR A 29 13.012 -7.723 10.982 1.00 0.00 C ATOM 473 CD2 TYR A 29 11.820 -8.960 12.695 1.00 0.00 C ATOM 474 CE1 TYR A 29 12.121 -8.196 10.009 1.00 0.00 C ATOM 475 CE2 TYR A 29 10.931 -9.451 11.732 1.00 0.00 C ATOM 476 CZ TYR A 29 11.076 -9.067 10.381 1.00 0.00 C ATOM 477 OH TYR A 29 10.212 -9.531 9.435 1.00 0.00 O ATOM 0 H TYR A 29 14.371 -5.280 12.315 1.00 0.00 H new ATOM 0 HA TYR A 29 12.301 -6.233 14.189 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.797 -7.470 12.954 1.00 0.00 H new ATOM 0 HB3 TYR A 29 13.852 -8.254 14.204 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.821 -7.067 10.697 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.705 -9.248 13.730 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.234 -7.895 8.978 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.136 -10.122 12.022 1.00 0.00 H new ATOM 0 HH TYR A 29 10.120 -8.866 8.721 1.00 0.00 H new ATOM 487 N GLN A 30 14.933 -4.736 15.078 1.00 0.00 N ATOM 488 CA GLN A 30 15.754 -4.311 16.201 1.00 0.00 C ATOM 489 C GLN A 30 14.875 -3.884 17.375 1.00 0.00 C ATOM 490 O GLN A 30 15.288 -3.981 18.528 1.00 0.00 O ATOM 491 CB GLN A 30 16.664 -3.173 15.730 1.00 0.00 C ATOM 492 CG GLN A 30 17.691 -2.772 16.787 1.00 0.00 C ATOM 493 CD GLN A 30 18.666 -1.751 16.214 1.00 0.00 C ATOM 494 OE1 GLN A 30 18.695 -0.597 16.637 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.476 -2.165 15.241 1.00 0.00 N ATOM 0 H GLN A 30 15.044 -4.161 14.243 1.00 0.00 H new ATOM 0 HA GLN A 30 16.371 -5.138 16.553 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.183 -3.479 14.821 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.054 -2.307 15.473 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.184 -2.353 17.656 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.235 -3.653 17.129 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.427 -3.129 14.912 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.145 -1.518 14.825 1.00 0.00 H new ATOM 504 N HIS A 31 13.656 -3.415 17.089 1.00 0.00 N ATOM 505 CA HIS A 31 12.699 -3.079 18.130 1.00 0.00 C ATOM 506 C HIS A 31 11.897 -4.314 18.539 1.00 0.00 C ATOM 507 O HIS A 31 11.479 -4.428 19.693 1.00 0.00 O ATOM 508 CB HIS A 31 11.774 -1.975 17.616 1.00 0.00 C ATOM 509 CG HIS A 31 10.782 -1.507 18.647 1.00 0.00 C ATOM 510 ND1 HIS A 31 9.407 -1.758 18.619 1.00 0.00 N ATOM 511 CD2 HIS A 31 11.083 -0.776 19.758 1.00 0.00 C ATOM 512 CE1 HIS A 31 8.916 -1.161 19.716 1.00 0.00 C ATOM 513 NE2 HIS A 31 9.897 -0.567 20.419 1.00 0.00 N ATOM 0 H HIS A 31 13.315 -3.262 16.140 1.00 0.00 H new ATOM 0 HA HIS A 31 13.229 -2.722 19.013 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.377 -1.127 17.289 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.235 -2.339 16.741 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.061 -0.430 20.059 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.873 -1.158 19.997 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.781 -0.051 21.291 1.00 0.00 H new ATOM 521 N LYS A 32 11.680 -5.243 17.602 1.00 0.00 N ATOM 522 CA LYS A 32 10.872 -6.429 17.868 1.00 0.00 C ATOM 523 C LYS A 32 11.625 -7.477 18.684 1.00 0.00 C ATOM 524 O LYS A 32 11.051 -8.071 19.598 1.00 0.00 O ATOM 525 CB LYS A 32 10.398 -7.027 16.539 1.00 0.00 C ATOM 526 CG LYS A 32 9.601 -6.002 15.732 1.00 0.00 C ATOM 527 CD LYS A 32 9.114 -6.637 14.431 1.00 0.00 C ATOM 528 CE LYS A 32 8.340 -5.600 13.619 1.00 0.00 C ATOM 529 NZ LYS A 32 7.850 -6.175 12.353 1.00 0.00 N ATOM 0 H LYS A 32 12.054 -5.193 16.654 1.00 0.00 H new ATOM 0 HA LYS A 32 10.015 -6.122 18.467 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.258 -7.363 15.960 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.781 -7.905 16.730 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.751 -5.647 16.315 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.223 -5.134 15.514 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.962 -7.007 13.855 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.477 -7.494 14.648 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.498 -5.230 14.204 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.982 -4.745 13.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.328 -5.449 11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.657 -6.506 11.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.219 -6.976 12.557 1.00 0.00 H new ATOM 543 N VAL A 33 12.903 -7.713 18.375 1.00 0.00 N ATOM 544 CA VAL A 33 13.669 -8.733 19.083 1.00 0.00 C ATOM 545 C VAL A 33 14.207 -8.194 20.402 1.00 0.00 C ATOM 546 O VAL A 33 14.447 -8.972 21.321 1.00 0.00 O ATOM 547 CB VAL A 33 14.798 -9.299 18.217 1.00 0.00 C ATOM 548 CG1 VAL A 33 14.266 -9.770 16.865 1.00 0.00 C ATOM 549 CG2 VAL A 33 15.932 -8.304 18.012 1.00 0.00 C ATOM 0 H VAL A 33 13.420 -7.217 17.649 1.00 0.00 H new ATOM 0 HA VAL A 33 12.989 -9.555 19.305 1.00 0.00 H new ATOM 0 HB VAL A 33 15.205 -10.152 18.759 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.088 -10.167 16.269 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.519 -10.549 17.019 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.811 -8.930 16.340 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.705 -8.757 17.391 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.548 -7.411 17.519 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.356 -8.031 18.978 1.00 0.00 H new ATOM 559 N ALA A 34 14.398 -6.878 20.514 1.00 0.00 N ATOM 560 CA ALA A 34 14.840 -6.295 21.769 1.00 0.00 C ATOM 561 C ALA A 34 13.723 -6.371 22.808 1.00 0.00 C ATOM 562 O ALA A 34 13.988 -6.352 24.008 1.00 0.00 O ATOM 563 CB ALA A 34 15.274 -4.846 21.544 1.00 0.00 C ATOM 0 H ALA A 34 14.254 -6.209 19.758 1.00 0.00 H new ATOM 0 HA ALA A 34 15.694 -6.859 22.145 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.604 -4.414 22.489 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.094 -4.819 20.826 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.433 -4.270 21.156 1.00 0.00 H new ATOM 569 N SER A 35 12.469 -6.461 22.349 1.00 0.00 N ATOM 570 CA SER A 35 11.327 -6.548 23.243 1.00 0.00 C ATOM 571 C SER A 35 11.223 -7.949 23.831 1.00 0.00 C ATOM 572 O SER A 35 10.990 -8.105 25.031 1.00 0.00 O ATOM 573 CB SER A 35 10.061 -6.208 22.465 1.00 0.00 C ATOM 574 OG SER A 35 8.953 -6.182 23.338 1.00 0.00 O ATOM 0 H SER A 35 12.227 -6.475 21.358 1.00 0.00 H new ATOM 0 HA SER A 35 11.452 -5.841 24.063 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.173 -5.240 21.977 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.898 -6.945 21.679 1.00 0.00 H new ATOM 0 HG SER A 35 8.143 -5.961 22.832 1.00 0.00 H new ATOM 580 N LEU A 36 11.394 -8.975 22.993 1.00 0.00 N ATOM 581 CA LEU A 36 11.258 -10.351 23.453 1.00 0.00 C ATOM 582 C LEU A 36 12.513 -10.838 24.172 1.00 0.00 C ATOM 583 O LEU A 36 12.424 -11.744 24.995 1.00 0.00 O ATOM 584 CB LEU A 36 10.863 -11.258 22.281 1.00 0.00 C ATOM 585 CG LEU A 36 11.949 -11.430 21.212 1.00 0.00 C ATOM 586 CD1 LEU A 36 12.964 -12.522 21.557 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.287 -11.848 19.903 1.00 0.00 C ATOM 0 H LEU A 36 11.624 -8.877 22.004 1.00 0.00 H new ATOM 0 HA LEU A 36 10.458 -10.392 24.193 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.598 -12.240 22.672 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.969 -10.851 21.809 1.00 0.00 H new ATOM 0 HG LEU A 36 12.471 -10.476 21.142 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.706 -12.594 20.761 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.461 -12.274 22.495 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.449 -13.477 21.661 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.049 -11.974 19.134 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.758 -12.790 20.047 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.580 -11.079 19.591 1.00 0.00 H new ATOM 599 N VAL A 37 13.678 -10.250 23.875 1.00 0.00 N ATOM 600 CA VAL A 37 14.921 -10.678 24.505 1.00 0.00 C ATOM 601 C VAL A 37 15.143 -9.956 25.832 1.00 0.00 C ATOM 602 O VAL A 37 15.938 -10.407 26.652 1.00 0.00 O ATOM 603 CB VAL A 37 16.089 -10.540 23.523 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.598 -9.108 23.426 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.254 -11.433 23.947 1.00 0.00 C ATOM 0 H VAL A 37 13.780 -9.485 23.209 1.00 0.00 H new ATOM 0 HA VAL A 37 14.853 -11.736 24.757 1.00 0.00 H new ATOM 0 HB VAL A 37 15.708 -10.843 22.548 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.425 -9.063 22.718 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.792 -8.458 23.085 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.941 -8.777 24.406 1.00 0.00 H new ATOM 0 HG21 VAL A 37 18.074 -11.322 23.238 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.592 -11.142 24.942 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.928 -12.473 23.964 1.00 0.00 H new ATOM 615 N SER A 38 14.442 -8.836 26.062 1.00 0.00 N ATOM 616 CA SER A 38 14.482 -8.154 27.351 1.00 0.00 C ATOM 617 C SER A 38 13.811 -9.014 28.425 1.00 0.00 C ATOM 618 O SER A 38 13.882 -8.700 29.612 1.00 0.00 O ATOM 619 CB SER A 38 13.807 -6.786 27.238 1.00 0.00 C ATOM 620 OG SER A 38 13.957 -6.064 28.443 1.00 0.00 O ATOM 0 H SER A 38 13.843 -8.388 25.368 1.00 0.00 H new ATOM 0 HA SER A 38 15.520 -7.999 27.644 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.244 -6.224 26.413 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.748 -6.913 27.012 1.00 0.00 H new ATOM 0 HG SER A 38 13.994 -6.689 29.197 1.00 0.00 H new ATOM 626 N ARG A 39 13.151 -10.106 28.011 1.00 0.00 N ATOM 627 CA ARG A 39 12.546 -11.067 28.930 1.00 0.00 C ATOM 628 C ARG A 39 13.535 -12.158 29.339 1.00 0.00 C ATOM 629 O ARG A 39 13.212 -12.983 30.192 1.00 0.00 O ATOM 630 CB ARG A 39 11.309 -11.707 28.290 1.00 0.00 C ATOM 631 CG ARG A 39 10.266 -10.662 27.893 1.00 0.00 C ATOM 632 CD ARG A 39 8.979 -11.339 27.409 1.00 0.00 C ATOM 633 NE ARG A 39 9.204 -12.146 26.203 1.00 0.00 N ATOM 634 CZ ARG A 39 9.370 -13.472 26.193 1.00 0.00 C ATOM 635 NH1 ARG A 39 9.356 -14.174 27.320 1.00 0.00 N ATOM 636 NH2 ARG A 39 9.555 -14.108 25.040 1.00 0.00 N ATOM 0 H ARG A 39 13.025 -10.343 27.027 1.00 0.00 H new ATOM 0 HA ARG A 39 12.253 -10.522 29.827 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.609 -12.274 27.408 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.865 -12.416 28.989 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.046 -10.018 28.745 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.665 -10.023 27.105 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.583 -11.974 28.202 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.225 -10.579 27.202 1.00 0.00 H new ATOM 0 HE ARG A 39 9.236 -11.659 25.307 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.217 -13.702 28.213 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.484 -15.186 27.292 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.570 -13.584 24.165 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.682 -15.120 25.030 1.00 0.00 H new ATOM 650 N TYR A 40 14.733 -12.174 28.742 1.00 0.00 N ATOM 651 CA TYR A 40 15.729 -13.203 29.015 1.00 0.00 C ATOM 652 C TYR A 40 17.048 -12.613 29.521 1.00 0.00 C ATOM 653 O TYR A 40 17.897 -13.353 30.013 1.00 0.00 O ATOM 654 CB TYR A 40 15.928 -14.048 27.756 1.00 0.00 C ATOM 655 CG TYR A 40 14.667 -14.746 27.293 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.229 -15.909 27.945 1.00 0.00 C ATOM 657 CD2 TYR A 40 13.938 -14.234 26.210 1.00 0.00 C ATOM 658 CE1 TYR A 40 13.051 -16.549 27.528 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.761 -14.867 25.787 1.00 0.00 C ATOM 660 CZ TYR A 40 12.309 -16.027 26.448 1.00 0.00 C ATOM 661 OH TYR A 40 11.161 -16.640 26.044 1.00 0.00 O ATOM 0 H TYR A 40 15.033 -11.476 28.061 1.00 0.00 H new ATOM 0 HA TYR A 40 15.364 -13.841 29.820 1.00 0.00 H new ATOM 0 HB2 TYR A 40 16.296 -13.409 26.953 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.698 -14.795 27.947 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.799 -16.312 28.769 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.285 -13.348 25.699 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.713 -17.441 28.034 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.201 -14.466 24.955 1.00 0.00 H new ATOM 0 HH TYR A 40 10.737 -17.079 26.811 1.00 0.00 H new ATOM 671 N VAL A 41 17.223 -11.293 29.410 1.00 0.00 N ATOM 672 CA VAL A 41 18.369 -10.576 29.962 1.00 0.00 C ATOM 673 C VAL A 41 17.906 -9.212 30.475 1.00 0.00 C ATOM 674 O VAL A 41 16.908 -8.684 29.985 1.00 0.00 O ATOM 675 CB VAL A 41 19.493 -10.402 28.927 1.00 0.00 C ATOM 676 CG1 VAL A 41 20.240 -11.716 28.707 1.00 0.00 C ATOM 677 CG2 VAL A 41 18.967 -9.896 27.583 1.00 0.00 C ATOM 0 H VAL A 41 16.561 -10.686 28.926 1.00 0.00 H new ATOM 0 HA VAL A 41 18.778 -11.166 30.782 1.00 0.00 H new ATOM 0 HB VAL A 41 20.174 -9.655 29.334 1.00 0.00 H new ATOM 0 HG11 VAL A 41 21.030 -11.567 27.971 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.679 -12.047 29.648 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.545 -12.473 28.345 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.797 -9.789 26.885 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.246 -10.609 27.183 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.483 -8.929 27.722 1.00 0.00 H new ATOM 687 N PRO A 42 18.615 -8.632 31.454 1.00 0.00 N ATOM 688 CA PRO A 42 18.284 -7.333 32.020 1.00 0.00 C ATOM 689 C PRO A 42 18.514 -6.226 30.995 1.00 0.00 C ATOM 690 O PRO A 42 19.196 -6.427 29.990 1.00 0.00 O ATOM 691 CB PRO A 42 19.195 -7.179 33.236 1.00 0.00 C ATOM 692 CG PRO A 42 20.414 -8.016 32.856 1.00 0.00 C ATOM 693 CD PRO A 42 19.792 -9.184 32.096 1.00 0.00 C ATOM 0 HA PRO A 42 17.234 -7.261 32.305 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.460 -6.137 33.413 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.720 -7.546 34.146 1.00 0.00 H new ATOM 0 HG2 PRO A 42 21.113 -7.455 32.236 1.00 0.00 H new ATOM 0 HG3 PRO A 42 20.965 -8.352 33.734 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.487 -9.592 31.362 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.528 -9.998 32.771 1.00 0.00 H new ATOM 701 N SER A 43 17.943 -5.046 31.255 1.00 0.00 N ATOM 702 CA SER A 43 17.994 -3.921 30.329 1.00 0.00 C ATOM 703 C SER A 43 19.414 -3.385 30.134 1.00 0.00 C ATOM 704 O SER A 43 19.644 -2.571 29.240 1.00 0.00 O ATOM 705 CB SER A 43 17.071 -2.813 30.834 1.00 0.00 C ATOM 706 OG SER A 43 17.476 -2.390 32.118 1.00 0.00 O ATOM 0 H SER A 43 17.433 -4.848 32.116 1.00 0.00 H new ATOM 0 HA SER A 43 17.658 -4.274 29.354 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.090 -1.971 30.143 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.043 -3.174 30.869 1.00 0.00 H new ATOM 0 HG SER A 43 16.879 -1.679 32.432 1.00 0.00 H new ATOM 712 N GLY A 44 20.371 -3.828 30.957 1.00 0.00 N ATOM 713 CA GLY A 44 21.761 -3.414 30.824 1.00 0.00 C ATOM 714 C GLY A 44 22.537 -4.311 29.861 1.00 0.00 C ATOM 715 O GLY A 44 23.586 -3.906 29.364 1.00 0.00 O ATOM 0 H GLY A 44 20.200 -4.477 31.725 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.800 -2.384 30.470 1.00 0.00 H new ATOM 0 HA3 GLY A 44 22.240 -3.433 31.803 1.00 0.00 H new ATOM 719 N ASP A 45 22.033 -5.521 29.595 1.00 0.00 N ATOM 720 CA ASP A 45 22.681 -6.468 28.696 1.00 0.00 C ATOM 721 C ASP A 45 21.818 -6.761 27.470 1.00 0.00 C ATOM 722 O ASP A 45 22.242 -7.493 26.577 1.00 0.00 O ATOM 723 CB ASP A 45 23.007 -7.749 29.461 1.00 0.00 C ATOM 724 CG ASP A 45 24.003 -7.491 30.587 1.00 0.00 C ATOM 725 OD1 ASP A 45 25.096 -6.958 30.292 1.00 0.00 O ATOM 726 OD2 ASP A 45 23.663 -7.826 31.743 1.00 0.00 O ATOM 0 H ASP A 45 21.163 -5.867 30.000 1.00 0.00 H new ATOM 0 HA ASP A 45 23.607 -6.025 28.329 1.00 0.00 H new ATOM 0 HB2 ASP A 45 22.091 -8.170 29.874 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.417 -8.490 28.774 1.00 0.00 H new ATOM 731 N VAL A 46 20.605 -6.199 27.410 1.00 0.00 N ATOM 732 CA VAL A 46 19.702 -6.453 26.298 1.00 0.00 C ATOM 733 C VAL A 46 20.200 -5.877 24.965 1.00 0.00 C ATOM 734 O VAL A 46 19.924 -6.493 23.941 1.00 0.00 O ATOM 735 CB VAL A 46 18.282 -5.979 26.652 1.00 0.00 C ATOM 736 CG1 VAL A 46 18.108 -4.464 26.611 1.00 0.00 C ATOM 737 CG2 VAL A 46 17.268 -6.594 25.701 1.00 0.00 C ATOM 0 H VAL A 46 20.233 -5.568 28.120 1.00 0.00 H new ATOM 0 HA VAL A 46 19.674 -7.531 26.139 1.00 0.00 H new ATOM 0 HB VAL A 46 18.117 -6.305 27.679 1.00 0.00 H new ATOM 0 HG11 VAL A 46 17.081 -4.209 26.872 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.790 -4.000 27.324 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.329 -4.099 25.608 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.268 -6.250 25.963 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.499 -6.293 24.679 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.310 -7.681 25.778 1.00 0.00 H new ATOM 747 N PRO A 47 20.918 -4.742 24.901 1.00 0.00 N ATOM 748 CA PRO A 47 21.321 -4.193 23.613 1.00 0.00 C ATOM 749 C PRO A 47 22.510 -4.949 23.031 1.00 0.00 C ATOM 750 O PRO A 47 22.703 -4.963 21.817 1.00 0.00 O ATOM 751 CB PRO A 47 21.690 -2.744 23.906 1.00 0.00 C ATOM 752 CG PRO A 47 22.251 -2.818 25.324 1.00 0.00 C ATOM 753 CD PRO A 47 21.382 -3.889 25.983 1.00 0.00 C ATOM 0 HA PRO A 47 20.526 -4.276 22.872 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.427 -2.363 23.199 1.00 0.00 H new ATOM 0 HB3 PRO A 47 20.823 -2.086 23.848 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.305 -3.096 25.327 1.00 0.00 H new ATOM 0 HG3 PRO A 47 22.172 -1.861 25.840 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.953 -4.461 26.714 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.543 -3.440 26.514 1.00 0.00 H new ATOM 761 N ASP A 48 23.313 -5.580 23.891 1.00 0.00 N ATOM 762 CA ASP A 48 24.495 -6.299 23.453 1.00 0.00 C ATOM 763 C ASP A 48 24.112 -7.672 22.906 1.00 0.00 C ATOM 764 O ASP A 48 24.788 -8.207 22.031 1.00 0.00 O ATOM 765 CB ASP A 48 25.456 -6.439 24.634 1.00 0.00 C ATOM 766 CG ASP A 48 26.786 -7.053 24.198 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.524 -6.368 23.454 1.00 0.00 O ATOM 768 OD2 ASP A 48 27.055 -8.201 24.613 1.00 0.00 O ATOM 0 H ASP A 48 23.158 -5.603 24.899 1.00 0.00 H new ATOM 0 HA ASP A 48 24.984 -5.745 22.652 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.634 -5.460 25.079 1.00 0.00 H new ATOM 0 HB3 ASP A 48 25.001 -7.062 25.404 1.00 0.00 H new ATOM 773 N VAL A 49 23.022 -8.244 23.426 1.00 0.00 N ATOM 774 CA VAL A 49 22.536 -9.539 22.976 1.00 0.00 C ATOM 775 C VAL A 49 21.737 -9.382 21.685 1.00 0.00 C ATOM 776 O VAL A 49 21.655 -10.326 20.899 1.00 0.00 O ATOM 777 CB VAL A 49 21.710 -10.173 24.099 1.00 0.00 C ATOM 778 CG1 VAL A 49 20.996 -11.444 23.637 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.629 -10.544 25.263 1.00 0.00 C ATOM 0 H VAL A 49 22.460 -7.821 24.165 1.00 0.00 H new ATOM 0 HA VAL A 49 23.371 -10.203 22.750 1.00 0.00 H new ATOM 0 HB VAL A 49 20.962 -9.441 24.403 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.422 -11.860 24.465 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.323 -11.205 22.813 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.733 -12.174 23.303 1.00 0.00 H new ATOM 0 HG21 VAL A 49 22.040 -10.995 26.062 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.381 -11.255 24.921 1.00 0.00 H new ATOM 0 HG23 VAL A 49 23.122 -9.647 25.638 1.00 0.00 H new ATOM 789 N VAL A 50 21.150 -8.205 21.446 1.00 0.00 N ATOM 790 CA VAL A 50 20.447 -7.946 20.197 1.00 0.00 C ATOM 791 C VAL A 50 21.459 -7.831 19.062 1.00 0.00 C ATOM 792 O VAL A 50 21.182 -8.266 17.947 1.00 0.00 O ATOM 793 CB VAL A 50 19.616 -6.664 20.320 1.00 0.00 C ATOM 794 CG1 VAL A 50 19.106 -6.187 18.959 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.405 -6.930 21.210 1.00 0.00 C ATOM 0 H VAL A 50 21.150 -7.423 22.101 1.00 0.00 H new ATOM 0 HA VAL A 50 19.768 -8.771 19.980 1.00 0.00 H new ATOM 0 HB VAL A 50 20.260 -5.894 20.746 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.522 -5.276 19.088 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.953 -5.985 18.304 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.479 -6.960 18.514 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.812 -6.020 21.299 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.795 -7.718 20.769 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.742 -7.242 22.199 1.00 0.00 H new ATOM 805 N GLN A 51 22.634 -7.252 19.325 1.00 0.00 N ATOM 806 CA GLN A 51 23.641 -7.140 18.290 1.00 0.00 C ATOM 807 C GLN A 51 24.244 -8.511 18.002 1.00 0.00 C ATOM 808 O GLN A 51 24.471 -8.847 16.842 1.00 0.00 O ATOM 809 CB GLN A 51 24.720 -6.146 18.719 1.00 0.00 C ATOM 810 CG GLN A 51 25.651 -5.837 17.539 1.00 0.00 C ATOM 811 CD GLN A 51 24.982 -4.980 16.467 1.00 0.00 C ATOM 812 OE1 GLN A 51 23.845 -4.534 16.616 1.00 0.00 O ATOM 813 NE2 GLN A 51 25.688 -4.741 15.368 1.00 0.00 N ATOM 0 H GLN A 51 22.899 -6.863 20.230 1.00 0.00 H new ATOM 0 HA GLN A 51 23.180 -6.770 17.374 1.00 0.00 H new ATOM 0 HB2 GLN A 51 24.257 -5.227 19.077 1.00 0.00 H new ATOM 0 HB3 GLN A 51 25.295 -6.557 19.548 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.539 -5.323 17.907 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.987 -6.773 17.092 1.00 0.00 H new ATOM 0 HE21 GLN A 51 26.628 -5.124 15.273 1.00 0.00 H new ATOM 0 HE22 GLN A 51 25.290 -4.174 14.619 1.00 0.00 H new ATOM 822 N GLU A 52 24.504 -9.319 19.037 1.00 0.00 N ATOM 823 CA GLU A 52 25.070 -10.641 18.822 1.00 0.00 C ATOM 824 C GLU A 52 24.058 -11.515 18.085 1.00 0.00 C ATOM 825 O GLU A 52 24.444 -12.409 17.337 1.00 0.00 O ATOM 826 CB GLU A 52 25.464 -11.263 20.162 1.00 0.00 C ATOM 827 CG GLU A 52 26.164 -12.608 19.939 1.00 0.00 C ATOM 828 CD GLU A 52 26.677 -13.217 21.247 1.00 0.00 C ATOM 829 OE1 GLU A 52 27.250 -12.459 22.060 1.00 0.00 O ATOM 830 OE2 GLU A 52 26.491 -14.443 21.419 1.00 0.00 O ATOM 0 H GLU A 52 24.332 -9.079 20.013 1.00 0.00 H new ATOM 0 HA GLU A 52 25.968 -10.562 18.210 1.00 0.00 H new ATOM 0 HB2 GLU A 52 26.125 -10.587 20.704 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.577 -11.405 20.780 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.471 -13.302 19.464 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.999 -12.472 19.252 1.00 0.00 H new ATOM 837 N ALA A 53 22.761 -11.264 18.286 1.00 0.00 N ATOM 838 CA ALA A 53 21.728 -12.017 17.602 1.00 0.00 C ATOM 839 C ALA A 53 21.686 -11.653 16.118 1.00 0.00 C ATOM 840 O ALA A 53 21.289 -12.480 15.300 1.00 0.00 O ATOM 841 CB ALA A 53 20.380 -11.745 18.267 1.00 0.00 C ATOM 0 H ALA A 53 22.411 -10.544 18.918 1.00 0.00 H new ATOM 0 HA ALA A 53 21.953 -13.081 17.674 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.601 -12.310 17.755 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.422 -12.050 19.313 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.154 -10.680 18.209 1.00 0.00 H new ATOM 847 N PHE A 54 22.089 -10.432 15.754 1.00 0.00 N ATOM 848 CA PHE A 54 22.133 -10.028 14.355 1.00 0.00 C ATOM 849 C PHE A 54 23.443 -10.444 13.691 1.00 0.00 C ATOM 850 O PHE A 54 23.456 -10.730 12.495 1.00 0.00 O ATOM 851 CB PHE A 54 21.911 -8.517 14.257 1.00 0.00 C ATOM 852 CG PHE A 54 20.510 -8.064 14.621 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.397 -8.861 14.308 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.317 -6.831 15.265 1.00 0.00 C ATOM 855 CE1 PHE A 54 18.106 -8.431 14.640 1.00 0.00 C ATOM 856 CE2 PHE A 54 19.023 -6.395 15.585 1.00 0.00 C ATOM 857 CZ PHE A 54 17.920 -7.199 15.275 1.00 0.00 C ATOM 0 H PHE A 54 22.388 -9.711 16.411 1.00 0.00 H new ATOM 0 HA PHE A 54 21.335 -10.539 13.816 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.624 -8.014 14.911 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.131 -8.195 13.239 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.537 -9.809 13.810 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.169 -6.216 15.515 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.254 -9.051 14.405 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.878 -5.441 16.070 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.923 -6.867 15.527 1.00 0.00 H new ATOM 867 N ILE A 55 24.547 -10.489 14.445 1.00 0.00 N ATOM 868 CA ILE A 55 25.814 -10.969 13.912 1.00 0.00 C ATOM 869 C ILE A 55 25.718 -12.479 13.713 1.00 0.00 C ATOM 870 O ILE A 55 26.254 -13.017 12.744 1.00 0.00 O ATOM 871 CB ILE A 55 26.951 -10.602 14.874 1.00 0.00 C ATOM 872 CG1 ILE A 55 27.078 -9.075 14.975 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.272 -11.213 14.394 1.00 0.00 C ATOM 874 CD1 ILE A 55 28.086 -8.661 16.044 1.00 0.00 C ATOM 0 H ILE A 55 24.583 -10.199 15.422 1.00 0.00 H new ATOM 0 HA ILE A 55 26.028 -10.501 12.951 1.00 0.00 H new ATOM 0 HB ILE A 55 26.721 -11.004 15.861 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.384 -8.671 14.010 1.00 0.00 H new ATOM 0 HG13 ILE A 55 26.104 -8.644 15.207 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.070 -10.944 15.086 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.177 -12.298 14.353 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.510 -10.832 13.401 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.147 -7.573 16.085 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.766 -9.043 17.013 1.00 0.00 H new ATOM 0 HD13 ILE A 55 29.066 -9.071 15.798 1.00 0.00 H new ATOM 886 N LYS A 56 25.029 -13.166 14.630 1.00 0.00 N ATOM 887 CA LYS A 56 24.835 -14.606 14.559 1.00 0.00 C ATOM 888 C LYS A 56 23.791 -14.952 13.503 1.00 0.00 C ATOM 889 O LYS A 56 23.885 -15.999 12.865 1.00 0.00 O ATOM 890 CB LYS A 56 24.406 -15.091 15.945 1.00 0.00 C ATOM 891 CG LYS A 56 24.239 -16.610 16.000 1.00 0.00 C ATOM 892 CD LYS A 56 23.743 -17.033 17.383 1.00 0.00 C ATOM 893 CE LYS A 56 24.769 -16.672 18.457 1.00 0.00 C ATOM 894 NZ LYS A 56 24.284 -17.049 19.796 1.00 0.00 N ATOM 0 H LYS A 56 24.591 -12.732 15.442 1.00 0.00 H new ATOM 0 HA LYS A 56 25.761 -15.102 14.267 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.148 -14.782 16.682 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.465 -14.614 16.220 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.532 -16.934 15.236 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.190 -17.097 15.781 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.794 -16.543 17.600 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.558 -18.107 17.396 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.711 -17.180 18.251 1.00 0.00 H new ATOM 0 HE3 LYS A 56 24.971 -15.601 18.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 24.998 -16.794 20.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.397 -16.545 19.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.114 -18.075 19.828 1.00 0.00 H new ATOM 908 N ALA A 57 22.796 -14.082 13.311 1.00 0.00 N ATOM 909 CA ALA A 57 21.760 -14.334 12.326 1.00 0.00 C ATOM 910 C ALA A 57 22.331 -14.227 10.918 1.00 0.00 C ATOM 911 O ALA A 57 22.052 -15.081 10.090 1.00 0.00 O ATOM 912 CB ALA A 57 20.607 -13.348 12.513 1.00 0.00 C ATOM 0 H ALA A 57 22.692 -13.206 13.823 1.00 0.00 H new ATOM 0 HA ALA A 57 21.380 -15.346 12.467 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.835 -13.546 11.769 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.187 -13.465 13.512 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.976 -12.330 12.391 1.00 0.00 H new ATOM 918 N TYR A 58 23.130 -13.197 10.629 1.00 0.00 N ATOM 919 CA TYR A 58 23.640 -12.997 9.280 1.00 0.00 C ATOM 920 C TYR A 58 24.484 -14.181 8.817 1.00 0.00 C ATOM 921 O TYR A 58 24.431 -14.570 7.650 1.00 0.00 O ATOM 922 CB TYR A 58 24.489 -11.730 9.261 1.00 0.00 C ATOM 923 CG TYR A 58 24.956 -11.358 7.874 1.00 0.00 C ATOM 924 CD1 TYR A 58 24.030 -10.933 6.912 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.317 -11.448 7.553 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.463 -10.577 5.628 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.758 -11.101 6.270 1.00 0.00 C ATOM 928 CZ TYR A 58 25.831 -10.663 5.301 1.00 0.00 C ATOM 929 OH TYR A 58 26.257 -10.331 4.051 1.00 0.00 O ATOM 0 H TYR A 58 23.433 -12.498 11.307 1.00 0.00 H new ATOM 0 HA TYR A 58 22.794 -12.905 8.599 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.911 -10.905 9.678 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.357 -11.870 9.906 1.00 0.00 H new ATOM 0 HD1 TYR A 58 22.980 -10.880 7.161 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.026 -11.785 8.295 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.750 -10.238 4.891 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.807 -11.169 6.023 1.00 0.00 H new ATOM 0 HH TYR A 58 27.229 -10.446 3.995 1.00 0.00 H new ATOM 939 N ARG A 59 25.265 -14.757 9.733 1.00 0.00 N ATOM 940 CA ARG A 59 26.128 -15.891 9.434 1.00 0.00 C ATOM 941 C ARG A 59 25.313 -17.165 9.233 1.00 0.00 C ATOM 942 O ARG A 59 25.753 -18.078 8.539 1.00 0.00 O ATOM 943 CB ARG A 59 27.107 -16.058 10.593 1.00 0.00 C ATOM 944 CG ARG A 59 28.026 -14.838 10.682 1.00 0.00 C ATOM 945 CD ARG A 59 28.833 -14.934 11.971 1.00 0.00 C ATOM 946 NE ARG A 59 29.849 -13.878 12.047 1.00 0.00 N ATOM 947 CZ ARG A 59 30.648 -13.686 13.099 1.00 0.00 C ATOM 948 NH1 ARG A 59 30.569 -14.475 14.168 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.537 -12.697 13.084 1.00 0.00 N ATOM 0 H ARG A 59 25.314 -14.446 10.703 1.00 0.00 H new ATOM 0 HA ARG A 59 26.669 -15.706 8.506 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.559 -16.180 11.528 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.701 -16.961 10.451 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.692 -14.802 9.820 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.439 -13.920 10.670 1.00 0.00 H new ATOM 0 HD2 ARG A 59 28.163 -14.859 12.828 1.00 0.00 H new ATOM 0 HD3 ARG A 59 29.315 -15.910 12.028 1.00 0.00 H new ATOM 0 HE ARG A 59 29.951 -13.253 11.248 1.00 0.00 H new ATOM 0 HH11 ARG A 59 29.892 -15.238 14.190 1.00 0.00 H new ATOM 0 HH12 ARG A 59 31.186 -14.317 14.965 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.607 -12.087 12.270 1.00 0.00 H new ATOM 0 HH22 ARG A 59 32.148 -12.549 13.887 1.00 0.00 H new ATOM 963 N ALA A 60 24.126 -17.226 9.841 1.00 0.00 N ATOM 964 CA ALA A 60 23.204 -18.340 9.673 1.00 0.00 C ATOM 965 C ALA A 60 22.195 -18.072 8.552 1.00 0.00 C ATOM 966 O ALA A 60 21.504 -18.990 8.113 1.00 0.00 O ATOM 967 CB ALA A 60 22.493 -18.588 11.003 1.00 0.00 C ATOM 0 H ALA A 60 23.780 -16.498 10.466 1.00 0.00 H new ATOM 0 HA ALA A 60 23.764 -19.229 9.383 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.798 -19.420 10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.229 -18.828 11.770 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.944 -17.693 11.295 1.00 0.00 H new ATOM 973 N LEU A 61 22.104 -16.826 8.080 1.00 0.00 N ATOM 974 CA LEU A 61 21.139 -16.428 7.073 1.00 0.00 C ATOM 975 C LEU A 61 21.577 -16.896 5.688 1.00 0.00 C ATOM 976 O LEU A 61 20.747 -17.095 4.808 1.00 0.00 O ATOM 977 CB LEU A 61 21.007 -14.905 7.111 1.00 0.00 C ATOM 978 CG LEU A 61 19.794 -14.415 6.331 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.504 -14.819 7.036 1.00 0.00 C ATOM 980 CD2 LEU A 61 19.848 -12.893 6.271 1.00 0.00 C ATOM 0 H LEU A 61 22.706 -16.065 8.394 1.00 0.00 H new ATOM 0 HA LEU A 61 20.174 -16.890 7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.929 -14.574 8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.909 -14.453 6.699 1.00 0.00 H new ATOM 0 HG LEU A 61 19.809 -14.854 5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.649 -14.460 6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.457 -15.905 7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.482 -14.381 8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.987 -12.520 5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.830 -12.488 7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.765 -12.581 5.771 1.00 0.00 H new ATOM 992 N ASP A 62 22.886 -17.076 5.493 1.00 0.00 N ATOM 993 CA ASP A 62 23.423 -17.587 4.240 1.00 0.00 C ATOM 994 C ASP A 62 23.027 -19.052 4.048 1.00 0.00 C ATOM 995 O ASP A 62 23.139 -19.586 2.946 1.00 0.00 O ATOM 996 CB ASP A 62 24.942 -17.418 4.258 1.00 0.00 C ATOM 997 CG ASP A 62 25.574 -17.862 2.938 1.00 0.00 C ATOM 998 OD1 ASP A 62 25.276 -17.217 1.911 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.353 -18.844 2.972 1.00 0.00 O ATOM 0 H ASP A 62 23.595 -16.872 6.197 1.00 0.00 H new ATOM 0 HA ASP A 62 23.011 -17.029 3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.190 -16.374 4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.364 -18.000 5.078 1.00 0.00 H new ATOM 1004 N SER A 63 22.561 -19.703 5.119 1.00 0.00 N ATOM 1005 CA SER A 63 22.143 -21.096 5.086 1.00 0.00 C ATOM 1006 C SER A 63 20.639 -21.242 5.308 1.00 0.00 C ATOM 1007 O SER A 63 20.148 -22.360 5.460 1.00 0.00 O ATOM 1008 CB SER A 63 22.955 -21.914 6.092 1.00 0.00 C ATOM 1009 OG SER A 63 22.632 -21.553 7.419 1.00 0.00 O ATOM 0 H SER A 63 22.465 -19.269 6.037 1.00 0.00 H new ATOM 0 HA SER A 63 22.344 -21.491 4.090 1.00 0.00 H new ATOM 0 HB2 SER A 63 22.761 -22.976 5.943 1.00 0.00 H new ATOM 0 HB3 SER A 63 24.020 -21.757 5.918 1.00 0.00 H new ATOM 0 HG SER A 63 22.236 -20.657 7.427 1.00 0.00 H new ATOM 1015 N PHE A 64 19.895 -20.128 5.331 1.00 0.00 N ATOM 1016 CA PHE A 64 18.449 -20.174 5.480 1.00 0.00 C ATOM 1017 C PHE A 64 17.772 -20.327 4.119 1.00 0.00 C ATOM 1018 O PHE A 64 17.824 -19.424 3.284 1.00 0.00 O ATOM 1019 CB PHE A 64 17.956 -18.917 6.196 1.00 0.00 C ATOM 1020 CG PHE A 64 16.449 -18.846 6.326 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.743 -19.885 6.951 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.752 -17.739 5.822 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.349 -19.818 7.069 1.00 0.00 C ATOM 1024 CE2 PHE A 64 14.356 -17.670 5.943 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.655 -18.712 6.565 1.00 0.00 C ATOM 0 H PHE A 64 20.279 -19.187 5.248 1.00 0.00 H new ATOM 0 HA PHE A 64 18.186 -21.042 6.084 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.401 -18.877 7.190 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.308 -18.039 5.654 1.00 0.00 H new ATOM 0 HD1 PHE A 64 16.276 -20.739 7.342 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.291 -16.937 5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.809 -20.621 7.549 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.822 -16.814 5.557 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.580 -18.662 6.655 1.00 0.00 H new ATOM 1099 N PHE A 70 10.566 -15.261 7.847 1.00 0.00 N ATOM 1100 CA PHE A 70 11.830 -14.834 8.418 1.00 0.00 C ATOM 1101 C PHE A 70 11.695 -14.434 9.887 1.00 0.00 C ATOM 1102 O PHE A 70 12.654 -14.579 10.643 1.00 0.00 O ATOM 1103 CB PHE A 70 12.346 -13.657 7.593 1.00 0.00 C ATOM 1104 CG PHE A 70 13.554 -12.974 8.190 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.787 -13.640 8.240 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.437 -11.675 8.705 1.00 0.00 C ATOM 1107 CE1 PHE A 70 15.902 -12.998 8.797 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.553 -11.035 9.258 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.791 -11.694 9.301 1.00 0.00 C ATOM 0 HA PHE A 70 12.532 -15.668 8.387 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.598 -14.010 6.593 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.546 -12.926 7.481 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.877 -14.643 7.851 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.484 -11.167 8.675 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.852 -13.511 8.838 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.461 -10.034 9.652 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.655 -11.199 9.720 1.00 0.00 H new ATOM 1119 N TYR A 71 10.531 -13.930 10.310 1.00 0.00 N ATOM 1120 CA TYR A 71 10.388 -13.433 11.670 1.00 0.00 C ATOM 1121 C TYR A 71 10.439 -14.565 12.696 1.00 0.00 C ATOM 1122 O TYR A 71 10.990 -14.376 13.777 1.00 0.00 O ATOM 1123 CB TYR A 71 9.106 -12.605 11.802 1.00 0.00 C ATOM 1124 CG TYR A 71 7.813 -13.356 11.583 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.260 -14.116 12.625 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.163 -13.282 10.341 1.00 0.00 C ATOM 1127 CE1 TYR A 71 6.054 -14.804 12.427 1.00 0.00 C ATOM 1128 CE2 TYR A 71 5.955 -13.966 10.139 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.397 -14.731 11.181 1.00 0.00 C ATOM 1130 OH TYR A 71 4.224 -15.398 10.982 1.00 0.00 O ATOM 0 H TYR A 71 9.691 -13.858 9.736 1.00 0.00 H new ATOM 0 HA TYR A 71 11.236 -12.782 11.883 1.00 0.00 H new ATOM 0 HB2 TYR A 71 9.083 -12.162 12.798 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.152 -11.783 11.088 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.763 -14.171 13.579 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.593 -12.698 9.541 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.628 -15.390 13.228 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.453 -13.906 9.185 1.00 0.00 H new ATOM 0 HH TYR A 71 3.908 -15.238 10.068 1.00 0.00 H new ATOM 1140 N THR A 72 9.882 -15.738 12.382 1.00 0.00 N ATOM 1141 CA THR A 72 9.926 -16.862 13.309 1.00 0.00 C ATOM 1142 C THR A 72 11.349 -17.402 13.397 1.00 0.00 C ATOM 1143 O THR A 72 11.785 -17.860 14.453 1.00 0.00 O ATOM 1144 CB THR A 72 8.969 -17.959 12.835 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.682 -17.414 12.642 1.00 0.00 O ATOM 1146 CG2 THR A 72 8.868 -19.080 13.865 1.00 0.00 C ATOM 0 H THR A 72 9.402 -15.929 11.503 1.00 0.00 H new ATOM 0 HA THR A 72 9.616 -16.528 14.299 1.00 0.00 H new ATOM 0 HB THR A 72 9.358 -18.364 11.901 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.717 -16.442 12.761 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.182 -19.846 13.503 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.853 -19.520 14.022 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.497 -18.676 14.807 1.00 0.00 H new ATOM 1154 N TRP A 73 12.075 -17.341 12.278 1.00 0.00 N ATOM 1155 CA TRP A 73 13.437 -17.835 12.198 1.00 0.00 C ATOM 1156 C TRP A 73 14.406 -16.877 12.890 1.00 0.00 C ATOM 1157 O TRP A 73 15.447 -17.309 13.381 1.00 0.00 O ATOM 1158 CB TRP A 73 13.799 -18.009 10.720 1.00 0.00 C ATOM 1159 CG TRP A 73 15.211 -18.424 10.468 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.638 -19.686 10.242 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.407 -17.587 10.412 1.00 0.00 C ATOM 1162 NE1 TRP A 73 17.004 -19.694 10.056 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.532 -18.426 10.169 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.651 -16.207 10.544 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.833 -17.924 10.092 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 17.953 -15.695 10.457 1.00 0.00 C ATOM 1167 CH2 TRP A 73 19.039 -16.550 10.241 1.00 0.00 C ATOM 0 H TRP A 73 11.727 -16.946 11.404 1.00 0.00 H new ATOM 0 HA TRP A 73 13.514 -18.794 12.711 1.00 0.00 H new ATOM 0 HB2 TRP A 73 13.133 -18.752 10.282 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.613 -17.069 10.201 1.00 0.00 H new ATOM 0 HD1 TRP A 73 15.003 -20.559 10.212 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.553 -20.531 9.860 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.824 -15.534 10.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.667 -18.588 9.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.119 -14.633 10.557 1.00 0.00 H new ATOM 0 HH2 TRP A 73 20.040 -16.147 10.189 1.00 0.00 H new ATOM 1178 N LEU A 74 14.074 -15.582 12.936 1.00 0.00 N ATOM 1179 CA LEU A 74 14.918 -14.576 13.558 1.00 0.00 C ATOM 1180 C LEU A 74 14.651 -14.478 15.058 1.00 0.00 C ATOM 1181 O LEU A 74 15.582 -14.275 15.834 1.00 0.00 O ATOM 1182 CB LEU A 74 14.655 -13.230 12.881 1.00 0.00 C ATOM 1183 CG LEU A 74 15.494 -12.104 13.491 1.00 0.00 C ATOM 1184 CD1 LEU A 74 16.988 -12.350 13.286 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.115 -10.785 12.826 1.00 0.00 C ATOM 0 H LEU A 74 13.211 -15.210 12.541 1.00 0.00 H new ATOM 0 HA LEU A 74 15.963 -14.860 13.432 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.877 -13.311 11.817 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.597 -12.981 12.968 1.00 0.00 H new ATOM 0 HG LEU A 74 15.294 -12.069 14.562 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.556 -11.533 13.731 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.271 -13.289 13.762 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.205 -12.404 12.219 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.708 -9.978 13.255 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.309 -10.848 11.755 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.056 -10.585 12.992 1.00 0.00 H new ATOM 1197 N TYR A 75 13.391 -14.623 15.477 1.00 0.00 N ATOM 1198 CA TYR A 75 13.050 -14.531 16.889 1.00 0.00 C ATOM 1199 C TYR A 75 13.764 -15.625 17.680 1.00 0.00 C ATOM 1200 O TYR A 75 14.112 -15.408 18.841 1.00 0.00 O ATOM 1201 CB TYR A 75 11.536 -14.674 17.078 1.00 0.00 C ATOM 1202 CG TYR A 75 10.667 -13.554 16.535 1.00 0.00 C ATOM 1203 CD1 TYR A 75 11.220 -12.344 16.083 1.00 0.00 C ATOM 1204 CD2 TYR A 75 9.277 -13.740 16.495 1.00 0.00 C ATOM 1205 CE1 TYR A 75 10.385 -11.322 15.606 1.00 0.00 C ATOM 1206 CE2 TYR A 75 8.436 -12.728 16.009 1.00 0.00 C ATOM 1207 CZ TYR A 75 8.989 -11.512 15.566 1.00 0.00 C ATOM 1208 OH TYR A 75 8.173 -10.524 15.100 1.00 0.00 O ATOM 0 H TYR A 75 12.599 -14.803 14.860 1.00 0.00 H new ATOM 0 HA TYR A 75 13.370 -13.556 17.256 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.222 -15.606 16.607 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.335 -14.772 18.145 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.290 -12.200 16.103 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.851 -14.670 16.841 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.812 -10.389 15.269 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.368 -12.881 15.975 1.00 0.00 H new ATOM 0 HH TYR A 75 7.241 -10.823 15.141 1.00 0.00 H new ATOM 1218 N ARG A 76 13.990 -16.795 17.070 1.00 0.00 N ATOM 1219 CA ARG A 76 14.670 -17.873 17.774 1.00 0.00 C ATOM 1220 C ARG A 76 16.172 -17.624 17.887 1.00 0.00 C ATOM 1221 O ARG A 76 16.806 -18.188 18.774 1.00 0.00 O ATOM 1222 CB ARG A 76 14.362 -19.228 17.131 1.00 0.00 C ATOM 1223 CG ARG A 76 14.923 -19.341 15.716 1.00 0.00 C ATOM 1224 CD ARG A 76 14.678 -20.754 15.188 1.00 0.00 C ATOM 1225 NE ARG A 76 15.348 -20.960 13.901 1.00 0.00 N ATOM 1226 CZ ARG A 76 15.439 -22.142 13.291 1.00 0.00 C ATOM 1227 NH1 ARG A 76 14.877 -23.228 13.819 1.00 0.00 N ATOM 1228 NH2 ARG A 76 16.093 -22.246 12.137 1.00 0.00 N ATOM 0 H ARG A 76 13.716 -17.011 16.111 1.00 0.00 H new ATOM 0 HA ARG A 76 14.282 -17.896 18.793 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.779 -20.023 17.749 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.283 -19.378 17.104 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.447 -18.609 15.064 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.990 -19.120 15.717 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.041 -21.484 15.911 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.607 -20.923 15.075 1.00 0.00 H new ATOM 0 HE ARG A 76 15.770 -20.151 13.445 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.369 -23.162 14.701 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.955 -24.126 13.341 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.525 -21.422 11.719 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.163 -23.150 11.670 1.00 0.00 H new ATOM 1242 N ILE A 77 16.756 -16.793 17.012 1.00 0.00 N ATOM 1243 CA ILE A 77 18.174 -16.473 17.135 1.00 0.00 C ATOM 1244 C ILE A 77 18.398 -15.618 18.383 1.00 0.00 C ATOM 1245 O ILE A 77 19.409 -15.774 19.064 1.00 0.00 O ATOM 1246 CB ILE A 77 18.689 -15.707 15.904 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.361 -16.382 14.566 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.207 -15.539 16.019 1.00 0.00 C ATOM 1249 CD1 ILE A 77 18.919 -17.797 14.427 1.00 0.00 C ATOM 0 H ILE A 77 16.278 -16.343 16.232 1.00 0.00 H new ATOM 0 HA ILE A 77 18.724 -17.411 17.212 1.00 0.00 H new ATOM 0 HB ILE A 77 18.175 -14.746 15.901 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.278 -16.417 14.445 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.753 -15.767 13.756 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.580 -14.997 15.150 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.444 -14.980 16.924 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.679 -16.520 16.065 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.643 -18.203 13.454 1.00 0.00 H new ATOM 0 HD12 ILE A 77 20.005 -17.770 14.514 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.508 -18.429 15.214 1.00 0.00 H new ATOM 1261 N ALA A 78 17.460 -14.719 18.690 1.00 0.00 N ATOM 1262 CA ALA A 78 17.633 -13.767 19.775 1.00 0.00 C ATOM 1263 C ALA A 78 17.446 -14.405 21.153 1.00 0.00 C ATOM 1264 O ALA A 78 18.176 -14.067 22.083 1.00 0.00 O ATOM 1265 CB ALA A 78 16.662 -12.606 19.570 1.00 0.00 C ATOM 0 H ALA A 78 16.571 -14.635 18.196 1.00 0.00 H new ATOM 0 HA ALA A 78 18.660 -13.402 19.751 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.782 -11.884 20.378 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.871 -12.121 18.616 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.639 -12.983 19.569 1.00 0.00 H new ATOM 1271 N VAL A 79 16.485 -15.321 21.301 1.00 0.00 N ATOM 1272 CA VAL A 79 16.252 -15.957 22.596 1.00 0.00 C ATOM 1273 C VAL A 79 17.291 -17.044 22.861 1.00 0.00 C ATOM 1274 O VAL A 79 17.629 -17.299 24.014 1.00 0.00 O ATOM 1275 CB VAL A 79 14.815 -16.489 22.678 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.536 -17.536 21.607 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.559 -17.117 24.046 1.00 0.00 C ATOM 0 H VAL A 79 15.866 -15.633 20.553 1.00 0.00 H new ATOM 0 HA VAL A 79 16.367 -15.212 23.383 1.00 0.00 H new ATOM 0 HB VAL A 79 14.152 -15.638 22.520 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.508 -17.887 21.700 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.681 -17.095 20.621 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.219 -18.376 21.733 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.536 -17.490 24.089 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.253 -17.943 24.203 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.705 -16.367 24.824 1.00 0.00 H new ATOM 1287 N ASN A 80 17.809 -17.686 21.810 1.00 0.00 N ATOM 1288 CA ASN A 80 18.844 -18.694 21.976 1.00 0.00 C ATOM 1289 C ASN A 80 20.185 -18.027 22.278 1.00 0.00 C ATOM 1290 O ASN A 80 21.062 -18.656 22.870 1.00 0.00 O ATOM 1291 CB ASN A 80 18.925 -19.561 20.720 1.00 0.00 C ATOM 1292 CG ASN A 80 17.697 -20.449 20.552 1.00 0.00 C ATOM 1293 OD1 ASN A 80 16.850 -20.536 21.436 1.00 0.00 O ATOM 1294 ND2 ASN A 80 17.590 -21.116 19.406 1.00 0.00 N ATOM 0 H ASN A 80 17.527 -17.523 20.844 1.00 0.00 H new ATOM 0 HA ASN A 80 18.594 -19.337 22.820 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.030 -18.920 19.845 1.00 0.00 H new ATOM 0 HB3 ASN A 80 19.818 -20.184 20.768 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.786 -21.722 19.242 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.312 -21.021 18.692 1.00 0.00 H new ATOM 1301 N THR A 81 20.357 -16.762 21.881 1.00 0.00 N ATOM 1302 CA THR A 81 21.589 -16.040 22.168 1.00 0.00 C ATOM 1303 C THR A 81 21.583 -15.541 23.609 1.00 0.00 C ATOM 1304 O THR A 81 22.640 -15.443 24.230 1.00 0.00 O ATOM 1305 CB THR A 81 21.779 -14.888 21.176 1.00 0.00 C ATOM 1306 OG1 THR A 81 21.890 -15.422 19.876 1.00 0.00 O ATOM 1307 CG2 THR A 81 23.068 -14.121 21.471 1.00 0.00 C ATOM 0 H THR A 81 19.661 -16.225 21.364 1.00 0.00 H new ATOM 0 HA THR A 81 22.434 -16.719 22.051 1.00 0.00 H new ATOM 0 HB THR A 81 20.926 -14.215 21.263 1.00 0.00 H new ATOM 0 HG1 THR A 81 20.995 -15.566 19.504 1.00 0.00 H new ATOM 0 HG21 THR A 81 23.180 -13.308 20.753 1.00 0.00 H new ATOM 0 HG22 THR A 81 23.024 -13.711 22.480 1.00 0.00 H new ATOM 0 HG23 THR A 81 23.920 -14.796 21.390 1.00 0.00 H new ATOM 1315 N ALA A 82 20.404 -15.225 24.148 1.00 0.00 N ATOM 1316 CA ALA A 82 20.288 -14.734 25.514 1.00 0.00 C ATOM 1317 C ALA A 82 20.502 -15.866 26.512 1.00 0.00 C ATOM 1318 O ALA A 82 20.984 -15.631 27.619 1.00 0.00 O ATOM 1319 CB ALA A 82 18.900 -14.121 25.687 1.00 0.00 C ATOM 0 H ALA A 82 19.515 -15.302 23.654 1.00 0.00 H new ATOM 0 HA ALA A 82 21.053 -13.981 25.703 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.792 -13.746 26.705 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.775 -13.299 24.983 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.141 -14.880 25.497 1.00 0.00 H new ATOM 1325 N LYS A 83 20.150 -17.098 26.125 1.00 0.00 N ATOM 1326 CA LYS A 83 20.307 -18.253 26.996 1.00 0.00 C ATOM 1327 C LYS A 83 21.748 -18.756 26.983 1.00 0.00 C ATOM 1328 O LYS A 83 22.200 -19.320 27.977 1.00 0.00 O ATOM 1329 CB LYS A 83 19.313 -19.339 26.576 1.00 0.00 C ATOM 1330 CG LYS A 83 17.892 -18.897 26.941 1.00 0.00 C ATOM 1331 CD LYS A 83 16.875 -19.926 26.453 1.00 0.00 C ATOM 1332 CE LYS A 83 15.457 -19.531 26.860 1.00 0.00 C ATOM 1333 NZ LYS A 83 15.286 -19.578 28.325 1.00 0.00 N ATOM 0 H LYS A 83 19.754 -17.314 25.210 1.00 0.00 H new ATOM 0 HA LYS A 83 20.089 -17.967 28.025 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.386 -19.519 25.503 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.552 -20.279 27.074 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.808 -18.776 28.021 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.680 -17.926 26.494 1.00 0.00 H new ATOM 0 HD2 LYS A 83 16.934 -20.015 25.368 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.116 -20.905 26.867 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.239 -18.526 26.499 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.740 -20.202 26.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.273 -19.540 28.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.693 -20.461 28.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.771 -18.766 28.757 1.00 0.00 H new ATOM 1347 N ASN A 84 22.482 -18.560 25.881 1.00 0.00 N ATOM 1348 CA ASN A 84 23.887 -18.940 25.864 1.00 0.00 C ATOM 1349 C ASN A 84 24.756 -17.810 26.416 1.00 0.00 C ATOM 1350 O ASN A 84 25.905 -18.041 26.784 1.00 0.00 O ATOM 1351 CB ASN A 84 24.324 -19.406 24.464 1.00 0.00 C ATOM 1352 CG ASN A 84 24.832 -18.293 23.553 1.00 0.00 C ATOM 1353 OD1 ASN A 84 24.182 -17.939 22.578 1.00 0.00 O ATOM 1354 ND2 ASN A 84 25.998 -17.732 23.858 1.00 0.00 N ATOM 0 H ASN A 84 22.133 -18.151 25.014 1.00 0.00 H new ATOM 0 HA ASN A 84 24.026 -19.797 26.524 1.00 0.00 H new ATOM 0 HB2 ASN A 84 25.109 -20.154 24.573 1.00 0.00 H new ATOM 0 HB3 ASN A 84 23.480 -19.897 23.979 1.00 0.00 H new ATOM 0 HD21 ASN A 84 26.373 -16.985 23.273 1.00 0.00 H new ATOM 0 HD22 ASN A 84 26.517 -18.048 24.677 1.00 0.00 H new