USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 968 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 15 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 16 SER OG : rot 180:sc= -0.162 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= -0.35 (180deg=-0.834) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 161:sc= -1.74! USER MOD Single : A 18 SER OG : rot -33:sc= 1.21 USER MOD Single : A 26 TYR OH : rot -150:sc= -0.702 USER MOD Single : A 27 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.42) USER MOD Single : A 30 THR OG1 : rot 34:sc= -0.92 USER MOD Single : A 32 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.222) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.984 X(o=-0.98,f=-0.64) USER MOD Single : A 71 SER OG : rot 42:sc= 0.396 USER MOD Single : A 74 SER OG : rot 128:sc= -0.0382 USER MOD Single : A 80 THR OG1 : rot -93:sc= 1.07 USER MOD Single : A 82 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.12) USER MOD Single : A 84 SER OG : rot 45:sc= 1.12 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.11) USER MOD Single : A 93 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00771) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -155:sc= 0.51 (180deg=0.226) USER MOD Single : A 105 SER OG : rot 180:sc= -0.28 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.239 K(o=-0.24,f=-0.89) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.445 2.076 15.917 1.00 0.00 N ATOM 2 CA MET A 1 -2.512 0.635 16.277 1.00 0.00 C ATOM 3 C MET A 1 -1.998 -0.244 15.141 1.00 0.00 C ATOM 4 O MET A 1 -2.434 -1.384 14.980 1.00 0.00 O ATOM 5 CB MET A 1 -3.965 0.282 16.608 1.00 0.00 C ATOM 6 CG MET A 1 -4.228 0.119 18.095 1.00 0.00 C ATOM 7 SD MET A 1 -5.961 0.365 18.527 1.00 0.00 S ATOM 8 CE MET A 1 -6.167 -0.864 19.814 1.00 0.00 C ATOM 0 H1 MET A 1 -3.215 2.589 16.393 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.530 2.467 16.219 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.544 2.181 14.887 1.00 0.00 H new ATOM 0 HA MET A 1 -1.875 0.452 17.143 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.618 1.062 16.215 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.231 -0.643 16.097 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.918 -0.878 18.407 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.615 0.831 18.648 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.192 -0.835 20.184 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.955 -1.854 19.409 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.480 -0.652 20.633 1.00 0.00 H new ATOM 20 N LYS A 2 -1.070 0.293 14.357 1.00 0.00 N ATOM 21 CA LYS A 2 -0.494 -0.443 13.236 1.00 0.00 C ATOM 22 C LYS A 2 -1.565 -0.817 12.215 1.00 0.00 C ATOM 23 O LYS A 2 -2.297 -1.790 12.395 1.00 0.00 O ATOM 24 CB LYS A 2 0.214 -1.699 13.738 1.00 0.00 C ATOM 25 CG LYS A 2 1.730 -1.594 13.712 1.00 0.00 C ATOM 26 CD LYS A 2 2.261 -0.895 14.954 1.00 0.00 C ATOM 27 CE LYS A 2 3.645 -1.400 15.327 1.00 0.00 C ATOM 28 NZ LYS A 2 4.379 -0.430 16.185 1.00 0.00 N ATOM 0 H LYS A 2 -0.700 1.236 14.477 1.00 0.00 H new ATOM 0 HA LYS A 2 0.233 0.204 12.745 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.110 -1.906 14.758 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.094 -2.548 13.128 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.164 -2.591 13.641 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.043 -1.046 12.823 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.299 0.180 14.780 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.576 -1.059 15.786 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.555 -2.352 15.851 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.219 -1.589 14.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.318 -0.813 16.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.488 0.470 15.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.845 -0.269 17.063 1.00 0.00 H new ATOM 42 N ARG A 3 -1.647 -0.037 11.141 1.00 0.00 N ATOM 43 CA ARG A 3 -2.625 -0.284 10.086 1.00 0.00 C ATOM 44 C ARG A 3 -2.055 0.094 8.722 1.00 0.00 C ATOM 45 O ARG A 3 -1.588 1.215 8.524 1.00 0.00 O ATOM 46 CB ARG A 3 -3.907 0.510 10.350 1.00 0.00 C ATOM 47 CG ARG A 3 -4.363 0.473 11.800 1.00 0.00 C ATOM 48 CD ARG A 3 -3.712 1.577 12.617 1.00 0.00 C ATOM 49 NE ARG A 3 -4.682 2.288 13.447 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.519 3.213 12.981 1.00 0.00 C ATOM 51 NH1 ARG A 3 -5.510 3.540 11.695 1.00 0.00 N ATOM 52 NH2 ARG A 3 -6.369 3.812 13.805 1.00 0.00 N ATOM 0 H ARG A 3 -1.048 0.772 10.978 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.860 -1.348 10.085 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.748 1.547 10.055 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.703 0.117 9.718 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.447 0.577 11.844 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.118 -0.496 12.235 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.936 1.149 13.252 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.222 2.283 11.947 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.720 2.063 14.441 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.859 3.082 11.057 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -6.154 4.249 11.345 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.381 3.564 14.794 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.011 4.521 13.449 1.00 0.00 H new ATOM 66 N VAL A 4 -2.099 -0.846 7.781 1.00 0.00 N ATOM 67 CA VAL A 4 -1.588 -0.600 6.438 1.00 0.00 C ATOM 68 C VAL A 4 -2.675 -0.828 5.393 1.00 0.00 C ATOM 69 O VAL A 4 -3.599 -1.609 5.605 1.00 0.00 O ATOM 70 CB VAL A 4 -0.380 -1.504 6.117 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.244 -1.113 4.787 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.653 -1.437 7.233 1.00 0.00 C ATOM 0 H VAL A 4 -2.482 -1.781 7.924 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.266 0.441 6.406 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.734 -2.532 6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.094 -1.763 4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.496 -1.218 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.581 -0.078 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.497 -2.082 6.987 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.001 -0.410 7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.202 -1.771 8.167 1.00 0.00 H new ATOM 82 N LEU A 5 -2.561 -0.139 4.265 1.00 0.00 N ATOM 83 CA LEU A 5 -3.536 -0.267 3.189 1.00 0.00 C ATOM 84 C LEU A 5 -2.979 -1.123 2.058 1.00 0.00 C ATOM 85 O LEU A 5 -1.830 -0.958 1.655 1.00 0.00 O ATOM 86 CB LEU A 5 -3.922 1.115 2.658 1.00 0.00 C ATOM 87 CG LEU A 5 -4.963 1.112 1.539 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.313 0.658 2.070 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.071 2.492 0.908 1.00 0.00 C ATOM 0 H LEU A 5 -1.803 0.515 4.071 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.425 -0.755 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.304 1.712 3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.022 1.612 2.295 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.643 0.408 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.042 0.662 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.225 -0.350 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.641 1.337 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.817 2.471 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.369 3.216 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.105 2.778 0.492 1.00 0.00 H new ATOM 101 N VAL A 6 -3.794 -2.041 1.551 1.00 0.00 N ATOM 102 CA VAL A 6 -3.366 -2.920 0.467 1.00 0.00 C ATOM 103 C VAL A 6 -4.253 -2.771 -0.762 1.00 0.00 C ATOM 104 O VAL A 6 -5.239 -3.490 -0.921 1.00 0.00 O ATOM 105 CB VAL A 6 -3.370 -4.394 0.899 1.00 0.00 C ATOM 106 CG1 VAL A 6 -2.682 -5.252 -0.148 1.00 0.00 C ATOM 107 CG2 VAL A 6 -2.706 -4.555 2.258 1.00 0.00 C ATOM 0 H VAL A 6 -4.750 -2.196 1.871 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.349 -2.619 0.216 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.404 -4.728 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.692 -6.294 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.208 -5.159 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.651 -4.920 -0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.719 -5.606 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.675 -4.206 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.248 -3.968 3.000 1.00 0.00 H new ATOM 117 N VAL A 7 -3.892 -1.843 -1.639 1.00 0.00 N ATOM 118 CA VAL A 7 -4.655 -1.615 -2.857 1.00 0.00 C ATOM 119 C VAL A 7 -4.324 -2.670 -3.906 1.00 0.00 C ATOM 120 O VAL A 7 -3.192 -2.751 -4.382 1.00 0.00 O ATOM 121 CB VAL A 7 -4.386 -0.215 -3.443 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.343 0.078 -4.588 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.496 0.847 -2.361 1.00 0.00 C ATOM 0 H VAL A 7 -3.078 -1.238 -1.529 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.710 -1.683 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.370 -0.195 -3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.138 1.071 -4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.209 -0.665 -5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.369 0.039 -4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.303 1.829 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.499 0.829 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.765 0.646 -1.578 1.00 0.00 H new ATOM 133 N ASP A 8 -5.317 -3.478 -4.259 1.00 0.00 N ATOM 134 CA ASP A 8 -5.128 -4.531 -5.247 1.00 0.00 C ATOM 135 C ASP A 8 -6.457 -4.884 -5.905 1.00 0.00 C ATOM 136 O ASP A 8 -7.518 -4.543 -5.391 1.00 0.00 O ATOM 137 CB ASP A 8 -4.514 -5.769 -4.585 1.00 0.00 C ATOM 138 CG ASP A 8 -4.362 -6.934 -5.546 1.00 0.00 C ATOM 139 OD1 ASP A 8 -3.778 -6.734 -6.632 1.00 0.00 O ATOM 140 OD2 ASP A 8 -4.828 -8.043 -5.213 1.00 0.00 O ATOM 0 H ASP A 8 -6.261 -3.423 -3.875 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.446 -4.172 -6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.537 -5.510 -4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.139 -6.075 -3.746 1.00 0.00 H new ATOM 145 N ASP A 9 -6.393 -5.564 -7.043 1.00 0.00 N ATOM 146 CA ASP A 9 -7.597 -5.955 -7.767 1.00 0.00 C ATOM 147 C ASP A 9 -8.178 -7.252 -7.207 1.00 0.00 C ATOM 148 O ASP A 9 -8.496 -8.178 -7.953 1.00 0.00 O ATOM 149 CB ASP A 9 -7.287 -6.111 -9.258 1.00 0.00 C ATOM 150 CG ASP A 9 -8.513 -6.473 -10.073 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.341 -5.574 -10.332 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.646 -7.656 -10.453 1.00 0.00 O ATOM 0 H ASP A 9 -5.521 -5.856 -7.485 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.342 -5.170 -7.639 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.865 -5.180 -9.637 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.528 -6.882 -9.389 1.00 0.00 H new ATOM 157 N GLU A 10 -8.319 -7.306 -5.886 1.00 0.00 N ATOM 158 CA GLU A 10 -8.867 -8.481 -5.217 1.00 0.00 C ATOM 159 C GLU A 10 -10.168 -8.134 -4.498 1.00 0.00 C ATOM 160 O GLU A 10 -10.506 -6.961 -4.341 1.00 0.00 O ATOM 161 CB GLU A 10 -7.852 -9.045 -4.220 1.00 0.00 C ATOM 162 CG GLU A 10 -8.168 -10.461 -3.765 1.00 0.00 C ATOM 163 CD GLU A 10 -6.921 -11.256 -3.428 1.00 0.00 C ATOM 164 OE1 GLU A 10 -5.862 -10.982 -4.030 1.00 0.00 O ATOM 165 OE2 GLU A 10 -7.004 -12.152 -2.562 1.00 0.00 O ATOM 0 H GLU A 10 -8.060 -6.547 -5.256 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.079 -9.237 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.862 -9.031 -4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.811 -8.393 -3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.817 -10.421 -2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.722 -10.976 -4.550 1.00 0.00 H new ATOM 172 N GLU A 11 -10.896 -9.160 -4.065 1.00 0.00 N ATOM 173 CA GLU A 11 -12.160 -8.956 -3.365 1.00 0.00 C ATOM 174 C GLU A 11 -11.925 -8.638 -1.889 1.00 0.00 C ATOM 175 O GLU A 11 -11.943 -7.475 -1.486 1.00 0.00 O ATOM 176 CB GLU A 11 -13.050 -10.194 -3.504 1.00 0.00 C ATOM 177 CG GLU A 11 -14.119 -10.059 -4.576 1.00 0.00 C ATOM 178 CD GLU A 11 -13.608 -10.423 -5.956 1.00 0.00 C ATOM 179 OE1 GLU A 11 -13.296 -11.611 -6.179 1.00 0.00 O ATOM 180 OE2 GLU A 11 -13.521 -9.519 -6.814 1.00 0.00 O ATOM 0 H GLU A 11 -10.633 -10.138 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.665 -8.104 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.424 -11.057 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.531 -10.395 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.964 -10.700 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.489 -9.034 -4.588 1.00 0.00 H new ATOM 187 N SER A 12 -11.705 -9.676 -1.088 1.00 0.00 N ATOM 188 CA SER A 12 -11.468 -9.503 0.341 1.00 0.00 C ATOM 189 C SER A 12 -10.003 -9.751 0.682 1.00 0.00 C ATOM 190 O SER A 12 -9.515 -10.875 0.575 1.00 0.00 O ATOM 191 CB SER A 12 -12.358 -10.451 1.146 1.00 0.00 C ATOM 192 OG SER A 12 -13.704 -10.385 0.707 1.00 0.00 O ATOM 0 H SER A 12 -11.686 -10.646 -1.404 1.00 0.00 H new ATOM 0 HA SER A 12 -11.715 -8.474 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.990 -11.472 1.047 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.304 -10.194 2.204 1.00 0.00 H new ATOM 0 HG SER A 12 -14.251 -11.002 1.237 1.00 0.00 H new ATOM 198 N ILE A 13 -9.315 -8.694 1.113 1.00 0.00 N ATOM 199 CA ILE A 13 -7.915 -8.771 1.491 1.00 0.00 C ATOM 200 C ILE A 13 -7.066 -9.468 0.431 1.00 0.00 C ATOM 201 O ILE A 13 -7.577 -10.156 -0.452 1.00 0.00 O ATOM 202 CB ILE A 13 -7.761 -9.513 2.817 1.00 0.00 C ATOM 203 CG1 ILE A 13 -8.735 -8.962 3.864 1.00 0.00 C ATOM 204 CG2 ILE A 13 -6.326 -9.450 3.322 1.00 0.00 C ATOM 205 CD1 ILE A 13 -8.381 -7.577 4.361 1.00 0.00 C ATOM 0 H ILE A 13 -9.718 -7.762 1.208 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.561 -7.745 1.591 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.005 -10.561 2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.738 -8.939 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.766 -9.645 4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.249 -9.987 4.267 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.662 -9.908 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.038 -8.409 3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.116 -7.256 5.099 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.392 -7.597 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.379 -6.879 3.524 1.00 0.00 H new ATOM 217 N THR A 14 -5.760 -9.288 0.538 1.00 0.00 N ATOM 218 CA THR A 14 -4.818 -9.899 -0.388 1.00 0.00 C ATOM 219 C THR A 14 -4.369 -11.261 0.135 1.00 0.00 C ATOM 220 O THR A 14 -4.590 -11.588 1.301 1.00 0.00 O ATOM 221 CB THR A 14 -3.615 -8.981 -0.605 1.00 0.00 C ATOM 222 OG1 THR A 14 -2.989 -8.672 0.626 1.00 0.00 O ATOM 223 CG2 THR A 14 -3.982 -7.674 -1.274 1.00 0.00 C ATOM 0 H THR A 14 -5.324 -8.719 1.263 1.00 0.00 H new ATOM 0 HA THR A 14 -5.315 -10.046 -1.347 1.00 0.00 H new ATOM 0 HB THR A 14 -2.941 -9.534 -1.259 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.077 -8.354 0.459 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.086 -7.066 -1.401 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.424 -7.876 -2.250 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.700 -7.137 -0.654 1.00 0.00 H new ATOM 231 N SER A 15 -3.751 -12.057 -0.729 1.00 0.00 N ATOM 232 CA SER A 15 -3.288 -13.387 -0.344 1.00 0.00 C ATOM 233 C SER A 15 -1.921 -13.334 0.334 1.00 0.00 C ATOM 234 O SER A 15 -1.009 -12.656 -0.138 1.00 0.00 O ATOM 235 CB SER A 15 -3.225 -14.300 -1.569 1.00 0.00 C ATOM 236 OG SER A 15 -3.143 -15.663 -1.188 1.00 0.00 O ATOM 0 H SER A 15 -3.559 -11.807 -1.699 1.00 0.00 H new ATOM 0 HA SER A 15 -4.003 -13.790 0.373 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.109 -14.145 -2.187 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.360 -14.037 -2.178 1.00 0.00 H new ATOM 0 HG SER A 15 -3.106 -16.225 -1.990 1.00 0.00 H new ATOM 242 N SER A 16 -1.789 -14.070 1.440 1.00 0.00 N ATOM 243 CA SER A 16 -0.535 -14.140 2.197 1.00 0.00 C ATOM 244 C SER A 16 -0.354 -12.943 3.133 1.00 0.00 C ATOM 245 O SER A 16 0.546 -12.943 3.974 1.00 0.00 O ATOM 246 CB SER A 16 0.665 -14.243 1.250 1.00 0.00 C ATOM 247 OG SER A 16 0.380 -15.098 0.157 1.00 0.00 O ATOM 0 H SER A 16 -2.543 -14.632 1.835 1.00 0.00 H new ATOM 0 HA SER A 16 -0.590 -15.038 2.812 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.927 -13.251 0.881 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.531 -14.620 1.795 1.00 0.00 H new ATOM 0 HG SER A 16 1.161 -15.146 -0.433 1.00 0.00 H new ATOM 253 N LEU A 17 -1.200 -11.927 2.994 1.00 0.00 N ATOM 254 CA LEU A 17 -1.109 -10.742 3.843 1.00 0.00 C ATOM 255 C LEU A 17 -1.962 -10.912 5.095 1.00 0.00 C ATOM 256 O LEU A 17 -1.491 -10.699 6.212 1.00 0.00 O ATOM 257 CB LEU A 17 -1.560 -9.495 3.066 1.00 0.00 C ATOM 258 CG LEU A 17 -0.512 -8.381 2.852 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.005 -7.068 3.442 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.847 -8.741 3.446 1.00 0.00 C ATOM 0 H LEU A 17 -1.953 -11.899 2.306 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.069 -10.615 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.916 -9.817 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.413 -9.061 3.588 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.380 -8.270 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.255 -6.293 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.936 -6.777 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.178 -7.192 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.549 -7.926 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.743 -8.905 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.221 -9.650 2.975 1.00 0.00 H new ATOM 272 N SER A 18 -3.222 -11.294 4.899 1.00 0.00 N ATOM 273 CA SER A 18 -4.149 -11.492 6.011 1.00 0.00 C ATOM 274 C SER A 18 -3.498 -12.298 7.132 1.00 0.00 C ATOM 275 O SER A 18 -3.455 -11.859 8.280 1.00 0.00 O ATOM 276 CB SER A 18 -5.414 -12.203 5.524 1.00 0.00 C ATOM 277 OG SER A 18 -6.575 -11.630 6.102 1.00 0.00 O ATOM 0 H SER A 18 -3.625 -11.473 3.979 1.00 0.00 H new ATOM 0 HA SER A 18 -4.417 -10.512 6.405 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.475 -12.140 4.438 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.361 -13.261 5.779 1.00 0.00 H new ATOM 0 HG SER A 18 -6.369 -11.318 7.008 1.00 0.00 H new ATOM 283 N ALA A 19 -2.986 -13.475 6.786 1.00 0.00 N ATOM 284 CA ALA A 19 -2.329 -14.341 7.758 1.00 0.00 C ATOM 285 C ALA A 19 -1.213 -13.598 8.483 1.00 0.00 C ATOM 286 O ALA A 19 -1.010 -13.772 9.686 1.00 0.00 O ATOM 287 CB ALA A 19 -1.774 -15.575 7.063 1.00 0.00 C ATOM 0 H ALA A 19 -3.014 -13.851 5.838 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.067 -14.650 8.498 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.285 -16.216 7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.588 -16.122 6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.051 -15.272 6.306 1.00 0.00 H new ATOM 293 N ILE A 20 -0.491 -12.771 7.737 1.00 0.00 N ATOM 294 CA ILE A 20 0.612 -11.993 8.290 1.00 0.00 C ATOM 295 C ILE A 20 0.106 -10.910 9.238 1.00 0.00 C ATOM 296 O ILE A 20 0.315 -10.986 10.447 1.00 0.00 O ATOM 297 CB ILE A 20 1.443 -11.345 7.162 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.194 -12.418 6.376 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.417 -10.317 7.723 1.00 0.00 C ATOM 300 CD1 ILE A 20 2.973 -11.871 5.201 1.00 0.00 C ATOM 0 H ILE A 20 -0.651 -12.621 6.741 1.00 0.00 H new ATOM 0 HA ILE A 20 1.245 -12.680 8.852 1.00 0.00 H new ATOM 0 HB ILE A 20 0.759 -10.829 6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.880 -12.936 7.047 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.481 -13.159 6.015 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.990 -9.876 6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.862 -9.535 8.241 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.097 -10.804 8.422 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.481 -12.688 4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.290 -11.378 4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.710 -11.151 5.557 1.00 0.00 H new ATOM 312 N LEU A 21 -0.552 -9.901 8.680 1.00 0.00 N ATOM 313 CA LEU A 21 -1.086 -8.796 9.473 1.00 0.00 C ATOM 314 C LEU A 21 -1.812 -9.301 10.719 1.00 0.00 C ATOM 315 O LEU A 21 -1.801 -8.648 11.761 1.00 0.00 O ATOM 316 CB LEU A 21 -2.033 -7.963 8.618 1.00 0.00 C ATOM 317 CG LEU A 21 -1.407 -7.423 7.334 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.292 -7.724 6.134 1.00 0.00 C ATOM 319 CD2 LEU A 21 -1.145 -5.932 7.460 1.00 0.00 C ATOM 0 H LEU A 21 -0.730 -9.824 7.679 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.250 -8.179 9.803 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.900 -8.571 8.358 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.398 -7.125 9.211 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.452 -7.924 7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.826 -7.330 5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.419 -8.802 6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.266 -7.256 6.274 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.699 -5.562 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.085 -5.412 7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.463 -5.751 8.291 1.00 0.00 H new ATOM 331 N GLU A 22 -2.436 -10.469 10.603 1.00 0.00 N ATOM 332 CA GLU A 22 -3.160 -11.062 11.723 1.00 0.00 C ATOM 333 C GLU A 22 -2.195 -11.624 12.762 1.00 0.00 C ATOM 334 O GLU A 22 -2.515 -11.689 13.949 1.00 0.00 O ATOM 335 CB GLU A 22 -4.095 -12.165 11.233 1.00 0.00 C ATOM 336 CG GLU A 22 -5.501 -11.677 10.922 1.00 0.00 C ATOM 337 CD GLU A 22 -5.906 -11.934 9.483 1.00 0.00 C ATOM 338 OE1 GLU A 22 -6.273 -13.086 9.167 1.00 0.00 O ATOM 339 OE2 GLU A 22 -5.859 -10.985 8.673 1.00 0.00 O ATOM 0 H GLU A 22 -2.455 -11.023 9.747 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.753 -10.276 12.191 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.670 -12.619 10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.150 -12.947 11.991 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.208 -12.172 11.588 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.564 -10.608 11.127 1.00 0.00 H new ATOM 346 N GLU A 23 -1.008 -12.023 12.311 1.00 0.00 N ATOM 347 CA GLU A 23 0.001 -12.572 13.202 1.00 0.00 C ATOM 348 C GLU A 23 0.781 -11.450 13.879 1.00 0.00 C ATOM 349 O GLU A 23 1.170 -11.562 15.042 1.00 0.00 O ATOM 350 CB GLU A 23 0.949 -13.484 12.415 1.00 0.00 C ATOM 351 CG GLU A 23 2.240 -13.810 13.147 1.00 0.00 C ATOM 352 CD GLU A 23 2.605 -15.279 13.063 1.00 0.00 C ATOM 353 OE1 GLU A 23 1.773 -16.123 13.457 1.00 0.00 O ATOM 354 OE2 GLU A 23 3.725 -15.587 12.600 1.00 0.00 O ATOM 0 H GLU A 23 -0.725 -11.975 11.332 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.493 -13.160 13.976 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.431 -14.414 12.181 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.192 -13.006 11.466 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.051 -13.214 12.728 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.142 -13.524 14.194 1.00 0.00 H new ATOM 361 N GLU A 24 1.004 -10.366 13.142 1.00 0.00 N ATOM 362 CA GLU A 24 1.734 -9.220 13.670 1.00 0.00 C ATOM 363 C GLU A 24 0.824 -8.334 14.512 1.00 0.00 C ATOM 364 O GLU A 24 1.268 -7.705 15.473 1.00 0.00 O ATOM 365 CB GLU A 24 2.343 -8.407 12.531 1.00 0.00 C ATOM 366 CG GLU A 24 3.722 -8.887 12.110 1.00 0.00 C ATOM 367 CD GLU A 24 4.819 -8.381 13.026 1.00 0.00 C ATOM 368 OE1 GLU A 24 4.721 -8.605 14.251 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.775 -7.758 12.519 1.00 0.00 O ATOM 0 H GLU A 24 0.689 -10.258 12.178 1.00 0.00 H new ATOM 0 HA GLU A 24 2.535 -9.596 14.307 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.675 -8.447 11.670 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.409 -7.363 12.836 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.736 -9.977 12.100 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.923 -8.556 11.091 1.00 0.00 H new ATOM 376 N GLY A 25 -0.453 -8.288 14.144 1.00 0.00 N ATOM 377 CA GLY A 25 -1.406 -7.475 14.871 1.00 0.00 C ATOM 378 C GLY A 25 -1.685 -6.160 14.174 1.00 0.00 C ATOM 379 O GLY A 25 -1.986 -5.157 14.821 1.00 0.00 O ATOM 0 H GLY A 25 -0.843 -8.801 13.354 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.338 -8.028 14.987 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.024 -7.279 15.873 1.00 0.00 H new ATOM 383 N TYR A 26 -1.580 -6.167 12.851 1.00 0.00 N ATOM 384 CA TYR A 26 -1.818 -4.969 12.056 1.00 0.00 C ATOM 385 C TYR A 26 -3.297 -4.813 11.725 1.00 0.00 C ATOM 386 O TYR A 26 -4.137 -5.578 12.197 1.00 0.00 O ATOM 387 CB TYR A 26 -1.008 -5.025 10.760 1.00 0.00 C ATOM 388 CG TYR A 26 0.449 -4.667 10.935 1.00 0.00 C ATOM 389 CD1 TYR A 26 0.856 -3.340 10.961 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.416 -5.654 11.069 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.187 -3.007 11.117 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.749 -5.329 11.226 1.00 0.00 C ATOM 393 CZ TYR A 26 3.130 -4.004 11.248 1.00 0.00 C ATOM 394 OH TYR A 26 4.457 -3.676 11.405 1.00 0.00 O ATOM 0 H TYR A 26 -1.331 -6.992 12.305 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.502 -4.109 12.646 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.078 -6.029 10.342 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.455 -4.346 10.034 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.120 -2.556 10.858 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.121 -6.693 11.050 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.488 -1.970 11.136 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.489 -6.109 11.331 1.00 0.00 H new ATOM 0 HH TYR A 26 5.016 -4.383 11.020 1.00 0.00 H new ATOM 404 N HIS A 27 -3.598 -3.819 10.899 1.00 0.00 N ATOM 405 CA HIS A 27 -4.968 -3.552 10.482 1.00 0.00 C ATOM 406 C HIS A 27 -5.006 -3.220 8.994 1.00 0.00 C ATOM 407 O HIS A 27 -4.892 -2.058 8.605 1.00 0.00 O ATOM 408 CB HIS A 27 -5.558 -2.397 11.293 1.00 0.00 C ATOM 409 CG HIS A 27 -7.003 -2.583 11.634 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.524 -3.780 12.075 1.00 0.00 N ATOM 411 CD2 HIS A 27 -8.041 -1.713 11.598 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.821 -3.641 12.294 1.00 0.00 C ATOM 413 NE2 HIS A 27 -9.158 -2.395 12.014 1.00 0.00 N ATOM 0 H HIS A 27 -2.907 -3.181 10.503 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.567 -4.445 10.662 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.987 -2.282 12.215 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.442 -1.471 10.729 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.998 -0.676 11.298 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.490 -4.414 12.642 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.096 -2.003 12.094 1.00 0.00 H new ATOM 422 N PRO A 28 -5.156 -4.244 8.139 1.00 0.00 N ATOM 423 CA PRO A 28 -5.196 -4.059 6.692 1.00 0.00 C ATOM 424 C PRO A 28 -6.544 -3.543 6.205 1.00 0.00 C ATOM 425 O PRO A 28 -7.594 -4.058 6.591 1.00 0.00 O ATOM 426 CB PRO A 28 -4.919 -5.459 6.155 1.00 0.00 C ATOM 427 CG PRO A 28 -5.443 -6.381 7.202 1.00 0.00 C ATOM 428 CD PRO A 28 -5.291 -5.663 8.520 1.00 0.00 C ATOM 0 HA PRO A 28 -4.480 -3.311 6.353 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.418 -5.622 5.200 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.853 -5.615 5.989 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.488 -6.629 7.013 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.889 -7.319 7.205 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.156 -5.823 9.164 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.416 -6.014 9.068 1.00 0.00 H new ATOM 436 N ASP A 29 -6.506 -2.519 5.360 1.00 0.00 N ATOM 437 CA ASP A 29 -7.731 -1.931 4.829 1.00 0.00 C ATOM 438 C ASP A 29 -7.983 -2.335 3.388 1.00 0.00 C ATOM 439 O ASP A 29 -9.009 -1.987 2.809 1.00 0.00 O ATOM 440 CB ASP A 29 -7.703 -0.414 4.964 1.00 0.00 C ATOM 441 CG ASP A 29 -8.765 0.103 5.915 1.00 0.00 C ATOM 442 OD1 ASP A 29 -9.965 -0.061 5.611 1.00 0.00 O ATOM 443 OD2 ASP A 29 -8.396 0.671 6.965 1.00 0.00 O ATOM 0 H ASP A 29 -5.646 -2.081 5.029 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.558 -2.321 5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.720 -0.102 5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.847 0.038 3.983 1.00 0.00 H new ATOM 448 N THR A 30 -7.030 -3.060 2.836 1.00 0.00 N ATOM 449 CA THR A 30 -7.060 -3.558 1.452 1.00 0.00 C ATOM 450 C THR A 30 -8.138 -2.922 0.576 1.00 0.00 C ATOM 451 O THR A 30 -9.333 -3.015 0.860 1.00 0.00 O ATOM 452 CB THR A 30 -7.231 -5.074 1.438 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.513 -5.440 1.918 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.199 -5.802 2.271 1.00 0.00 C ATOM 0 H THR A 30 -6.187 -3.332 3.341 1.00 0.00 H new ATOM 0 HA THR A 30 -6.101 -3.271 1.021 1.00 0.00 H new ATOM 0 HB THR A 30 -7.103 -5.369 0.396 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.166 -4.755 1.662 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.379 -6.876 2.217 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.202 -5.582 1.889 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.271 -5.474 3.308 1.00 0.00 H new ATOM 462 N ALA A 31 -7.697 -2.309 -0.514 1.00 0.00 N ATOM 463 CA ALA A 31 -8.603 -1.680 -1.466 1.00 0.00 C ATOM 464 C ALA A 31 -8.609 -2.451 -2.782 1.00 0.00 C ATOM 465 O ALA A 31 -7.653 -3.160 -3.097 1.00 0.00 O ATOM 466 CB ALA A 31 -8.203 -0.231 -1.700 1.00 0.00 C ATOM 0 H ALA A 31 -6.711 -2.234 -0.762 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.611 -1.697 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.889 0.225 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.244 0.315 -0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.189 -0.193 -2.097 1.00 0.00 H new ATOM 472 N LYS A 32 -9.688 -2.318 -3.544 1.00 0.00 N ATOM 473 CA LYS A 32 -9.804 -3.016 -4.821 1.00 0.00 C ATOM 474 C LYS A 32 -9.045 -2.279 -5.919 1.00 0.00 C ATOM 475 O LYS A 32 -8.576 -2.888 -6.880 1.00 0.00 O ATOM 476 CB LYS A 32 -11.273 -3.168 -5.217 1.00 0.00 C ATOM 477 CG LYS A 32 -12.179 -3.541 -4.057 1.00 0.00 C ATOM 478 CD LYS A 32 -13.624 -3.696 -4.504 1.00 0.00 C ATOM 479 CE LYS A 32 -14.281 -2.347 -4.748 1.00 0.00 C ATOM 480 NZ LYS A 32 -14.338 -2.011 -6.198 1.00 0.00 N ATOM 0 H LYS A 32 -10.491 -1.737 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.364 -4.006 -4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.622 -2.232 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.355 -3.931 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.834 -4.473 -3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.117 -2.775 -3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.661 -4.290 -5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.184 -4.242 -3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.291 -2.355 -4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.727 -1.572 -4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.331 -0.978 -6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.514 -2.420 -6.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.210 -2.400 -6.610 1.00 0.00 H new ATOM 494 N THR A 33 -8.928 -0.966 -5.771 1.00 0.00 N ATOM 495 CA THR A 33 -8.226 -0.148 -6.751 1.00 0.00 C ATOM 496 C THR A 33 -7.981 1.252 -6.204 1.00 0.00 C ATOM 497 O THR A 33 -8.380 1.570 -5.084 1.00 0.00 O ATOM 498 CB THR A 33 -9.028 -0.069 -8.050 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.419 -0.137 -7.787 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.692 -1.174 -9.028 1.00 0.00 C ATOM 0 H THR A 33 -9.310 -0.445 -4.982 1.00 0.00 H new ATOM 0 HA THR A 33 -7.263 -0.614 -6.958 1.00 0.00 H new ATOM 0 HB THR A 33 -8.757 0.887 -8.498 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.914 -0.083 -8.631 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.296 -1.059 -9.928 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.636 -1.119 -9.291 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.902 -2.141 -8.571 1.00 0.00 H new ATOM 508 N LEU A 34 -7.323 2.088 -6.999 1.00 0.00 N ATOM 509 CA LEU A 34 -7.029 3.454 -6.589 1.00 0.00 C ATOM 510 C LEU A 34 -8.312 4.200 -6.244 1.00 0.00 C ATOM 511 O LEU A 34 -8.327 5.047 -5.350 1.00 0.00 O ATOM 512 CB LEU A 34 -6.266 4.185 -7.694 1.00 0.00 C ATOM 513 CG LEU A 34 -4.980 3.493 -8.150 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.566 3.987 -9.528 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.865 3.718 -7.139 1.00 0.00 C ATOM 0 H LEU A 34 -6.984 1.843 -7.929 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.404 3.420 -5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.924 4.302 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.018 5.187 -7.344 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.170 2.422 -8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.649 3.483 -9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.357 3.769 -10.245 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.394 5.063 -9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.958 3.219 -7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.675 4.787 -7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.162 3.310 -6.173 1.00 0.00 H new ATOM 527 N ARG A 35 -9.392 3.869 -6.944 1.00 0.00 N ATOM 528 CA ARG A 35 -10.682 4.499 -6.694 1.00 0.00 C ATOM 529 C ARG A 35 -11.148 4.180 -5.279 1.00 0.00 C ATOM 530 O ARG A 35 -11.406 5.081 -4.477 1.00 0.00 O ATOM 531 CB ARG A 35 -11.719 4.016 -7.709 1.00 0.00 C ATOM 532 CG ARG A 35 -11.730 4.823 -8.999 1.00 0.00 C ATOM 533 CD ARG A 35 -11.240 4.002 -10.183 1.00 0.00 C ATOM 534 NE ARG A 35 -12.191 4.021 -11.292 1.00 0.00 N ATOM 535 CZ ARG A 35 -12.191 3.134 -12.284 1.00 0.00 C ATOM 536 NH1 ARG A 35 -11.294 2.156 -12.310 1.00 0.00 N ATOM 537 NH2 ARG A 35 -13.093 3.224 -13.253 1.00 0.00 N ATOM 0 H ARG A 35 -9.399 3.170 -7.687 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.571 5.578 -6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.524 2.970 -7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.709 4.060 -7.254 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.741 5.179 -9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.099 5.704 -8.882 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.280 4.391 -10.522 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.073 2.973 -9.866 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.896 4.758 -11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.599 2.081 -11.567 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.299 1.479 -13.073 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.786 3.973 -13.237 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.094 2.545 -14.014 1.00 0.00 H new ATOM 551 N GLU A 36 -11.238 2.890 -4.973 1.00 0.00 N ATOM 552 CA GLU A 36 -11.655 2.447 -3.649 1.00 0.00 C ATOM 553 C GLU A 36 -10.628 2.863 -2.604 1.00 0.00 C ATOM 554 O GLU A 36 -10.966 3.096 -1.444 1.00 0.00 O ATOM 555 CB GLU A 36 -11.839 0.927 -3.628 1.00 0.00 C ATOM 556 CG GLU A 36 -12.798 0.444 -2.553 1.00 0.00 C ATOM 557 CD GLU A 36 -12.284 0.710 -1.152 1.00 0.00 C ATOM 558 OE1 GLU A 36 -11.292 0.065 -0.751 1.00 0.00 O ATOM 559 OE2 GLU A 36 -12.872 1.563 -0.455 1.00 0.00 O ATOM 0 H GLU A 36 -11.028 2.134 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.609 2.919 -3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.204 0.600 -4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.869 0.454 -3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.761 0.937 -2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.968 -0.625 -2.677 1.00 0.00 H new ATOM 566 N ALA A 37 -9.369 2.959 -3.026 1.00 0.00 N ATOM 567 CA ALA A 37 -8.292 3.353 -2.129 1.00 0.00 C ATOM 568 C ALA A 37 -8.373 4.839 -1.804 1.00 0.00 C ATOM 569 O ALA A 37 -7.969 5.270 -0.726 1.00 0.00 O ATOM 570 CB ALA A 37 -6.941 3.015 -2.741 1.00 0.00 C ATOM 0 H ALA A 37 -9.073 2.769 -3.983 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.402 2.795 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.147 3.316 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.880 1.941 -2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.827 3.545 -3.686 1.00 0.00 H new ATOM 576 N GLU A 38 -8.914 5.618 -2.735 1.00 0.00 N ATOM 577 CA GLU A 38 -9.062 7.052 -2.527 1.00 0.00 C ATOM 578 C GLU A 38 -10.147 7.316 -1.496 1.00 0.00 C ATOM 579 O GLU A 38 -10.002 8.176 -0.627 1.00 0.00 O ATOM 580 CB GLU A 38 -9.399 7.754 -3.841 1.00 0.00 C ATOM 581 CG GLU A 38 -8.195 7.968 -4.745 1.00 0.00 C ATOM 582 CD GLU A 38 -8.590 8.319 -6.165 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.329 7.529 -6.790 1.00 0.00 O ATOM 584 OE2 GLU A 38 -8.159 9.384 -6.655 1.00 0.00 O ATOM 0 H GLU A 38 -9.255 5.282 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.117 7.451 -2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.144 7.166 -4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.853 8.720 -3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.575 8.766 -4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.586 7.064 -4.754 1.00 0.00 H new ATOM 591 N LYS A 39 -11.234 6.559 -1.594 1.00 0.00 N ATOM 592 CA LYS A 39 -12.345 6.693 -0.664 1.00 0.00 C ATOM 593 C LYS A 39 -11.912 6.276 0.739 1.00 0.00 C ATOM 594 O LYS A 39 -12.373 6.832 1.735 1.00 0.00 O ATOM 595 CB LYS A 39 -13.532 5.844 -1.127 1.00 0.00 C ATOM 596 CG LYS A 39 -14.676 5.790 -0.127 1.00 0.00 C ATOM 597 CD LYS A 39 -14.452 4.705 0.913 1.00 0.00 C ATOM 598 CE LYS A 39 -15.768 4.157 1.444 1.00 0.00 C ATOM 599 NZ LYS A 39 -15.908 2.698 1.184 1.00 0.00 N ATOM 0 H LYS A 39 -11.368 5.845 -2.310 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.654 7.738 -0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.905 6.242 -2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.186 4.829 -1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.774 6.756 0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.613 5.604 -0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.870 3.894 0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.865 5.107 1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.832 4.342 2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.597 4.690 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.818 2.364 1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.873 2.523 0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.131 2.186 1.649 1.00 0.00 H new ATOM 613 N LYS A 40 -11.019 5.291 0.806 1.00 0.00 N ATOM 614 CA LYS A 40 -10.519 4.800 2.084 1.00 0.00 C ATOM 615 C LYS A 40 -9.472 5.750 2.659 1.00 0.00 C ATOM 616 O LYS A 40 -9.398 5.947 3.872 1.00 0.00 O ATOM 617 CB LYS A 40 -9.923 3.402 1.921 1.00 0.00 C ATOM 618 CG LYS A 40 -10.932 2.358 1.466 1.00 0.00 C ATOM 619 CD LYS A 40 -10.985 1.177 2.422 1.00 0.00 C ATOM 620 CE LYS A 40 -12.135 0.240 2.088 1.00 0.00 C ATOM 621 NZ LYS A 40 -12.644 -0.468 3.294 1.00 0.00 N ATOM 0 H LYS A 40 -10.628 4.819 -0.010 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.358 4.749 2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.108 3.446 1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.491 3.087 2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.920 2.813 1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.669 2.007 0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.044 0.629 2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.095 1.540 3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.946 0.809 1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.805 -0.491 1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.427 -1.097 3.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.878 -1.031 3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.983 0.228 3.988 1.00 0.00 H new ATOM 635 N ILE A 41 -8.666 6.341 1.781 1.00 0.00 N ATOM 636 CA ILE A 41 -7.629 7.276 2.206 1.00 0.00 C ATOM 637 C ILE A 41 -8.228 8.646 2.517 1.00 0.00 C ATOM 638 O ILE A 41 -7.669 9.417 3.297 1.00 0.00 O ATOM 639 CB ILE A 41 -6.530 7.428 1.132 1.00 0.00 C ATOM 640 CG1 ILE A 41 -5.873 6.075 0.847 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.482 8.442 1.576 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.344 5.946 -0.565 1.00 0.00 C ATOM 0 H ILE A 41 -8.711 6.189 0.773 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.178 6.866 3.110 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.994 7.791 0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.053 5.923 1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.599 5.282 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.716 8.535 0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.957 9.410 1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.022 8.107 2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.892 4.963 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.164 6.066 -1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.594 6.717 -0.744 1.00 0.00 H new ATOM 654 N LYS A 42 -9.371 8.943 1.901 1.00 0.00 N ATOM 655 CA LYS A 42 -10.048 10.218 2.111 1.00 0.00 C ATOM 656 C LYS A 42 -11.040 10.134 3.269 1.00 0.00 C ATOM 657 O LYS A 42 -12.044 10.846 3.290 1.00 0.00 O ATOM 658 CB LYS A 42 -10.771 10.651 0.839 1.00 0.00 C ATOM 659 CG LYS A 42 -9.859 11.297 -0.191 1.00 0.00 C ATOM 660 CD LYS A 42 -10.432 11.181 -1.596 1.00 0.00 C ATOM 661 CE LYS A 42 -10.648 12.546 -2.227 1.00 0.00 C ATOM 662 NZ LYS A 42 -11.715 12.516 -3.267 1.00 0.00 N ATOM 0 H LYS A 42 -9.847 8.316 1.252 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.290 10.960 2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.252 9.782 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.562 11.353 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.715 12.348 0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.878 10.824 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.755 10.595 -2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.379 10.642 -1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.916 13.265 -1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.715 12.891 -2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.831 13.467 -3.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.448 11.849 -4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.611 12.212 -2.836 1.00 0.00 H new ATOM 676 N GLU A 43 -10.754 9.261 4.229 1.00 0.00 N ATOM 677 CA GLU A 43 -11.619 9.086 5.389 1.00 0.00 C ATOM 678 C GLU A 43 -10.799 8.754 6.631 1.00 0.00 C ATOM 679 O GLU A 43 -11.000 9.338 7.696 1.00 0.00 O ATOM 680 CB GLU A 43 -12.644 7.983 5.126 1.00 0.00 C ATOM 681 CG GLU A 43 -13.593 8.296 3.981 1.00 0.00 C ATOM 682 CD GLU A 43 -14.544 7.153 3.683 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.128 5.983 3.817 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.706 7.429 3.316 1.00 0.00 O ATOM 0 H GLU A 43 -9.928 8.663 4.226 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.146 10.024 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.118 7.054 4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.225 7.814 6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.169 9.189 4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.014 8.525 3.086 1.00 0.00 H new ATOM 691 N LEU A 44 -9.869 7.814 6.487 1.00 0.00 N ATOM 692 CA LEU A 44 -9.013 7.405 7.593 1.00 0.00 C ATOM 693 C LEU A 44 -7.561 7.797 7.318 1.00 0.00 C ATOM 694 O LEU A 44 -7.161 7.960 6.166 1.00 0.00 O ATOM 695 CB LEU A 44 -9.140 5.891 7.816 1.00 0.00 C ATOM 696 CG LEU A 44 -7.927 5.208 8.449 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.358 3.991 9.252 1.00 0.00 C ATOM 698 CD2 LEU A 44 -6.928 4.815 7.374 1.00 0.00 C ATOM 0 H LEU A 44 -9.690 7.321 5.612 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.332 7.918 8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.008 5.708 8.449 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.340 5.417 6.855 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.446 5.911 9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.481 3.518 9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.042 4.300 10.043 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.860 3.281 8.595 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.068 4.330 7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.400 4.127 6.673 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.598 5.706 6.841 1.00 0.00 H new ATOM 710 N PHE A 45 -6.782 7.955 8.383 1.00 0.00 N ATOM 711 CA PHE A 45 -5.379 8.337 8.257 1.00 0.00 C ATOM 712 C PHE A 45 -4.490 7.118 8.033 1.00 0.00 C ATOM 713 O PHE A 45 -4.006 6.507 8.985 1.00 0.00 O ATOM 714 CB PHE A 45 -4.922 9.090 9.507 1.00 0.00 C ATOM 715 CG PHE A 45 -3.683 9.912 9.295 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.628 10.856 8.282 1.00 0.00 C ATOM 717 CD2 PHE A 45 -2.575 9.741 10.109 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.489 11.615 8.085 1.00 0.00 C ATOM 719 CE2 PHE A 45 -1.433 10.497 9.916 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.390 11.435 8.903 1.00 0.00 C ATOM 0 H PHE A 45 -7.098 7.824 9.344 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.288 8.989 7.389 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.728 9.743 9.843 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.739 8.372 10.307 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.484 11.000 7.639 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.603 9.009 10.903 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.458 12.348 7.292 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.576 10.354 10.557 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.499 12.026 8.751 1.00 0.00 H new ATOM 730 N PHE A 46 -4.278 6.770 6.767 1.00 0.00 N ATOM 731 CA PHE A 46 -3.446 5.626 6.416 1.00 0.00 C ATOM 732 C PHE A 46 -1.962 5.959 6.563 1.00 0.00 C ATOM 733 O PHE A 46 -1.432 6.787 5.823 1.00 0.00 O ATOM 734 CB PHE A 46 -3.732 5.192 4.979 1.00 0.00 C ATOM 735 CG PHE A 46 -4.936 4.306 4.853 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.090 3.205 5.678 1.00 0.00 C ATOM 737 CD2 PHE A 46 -5.912 4.574 3.908 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.196 2.387 5.564 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.020 3.760 3.788 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.163 2.665 4.617 1.00 0.00 C ATOM 0 H PHE A 46 -4.672 7.265 5.967 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.687 4.812 7.099 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.876 6.078 4.361 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.861 4.668 4.586 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.336 2.984 6.419 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.805 5.430 3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.305 1.531 6.214 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.774 3.979 3.047 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.029 2.027 4.525 1.00 0.00 H new ATOM 750 N PRO A 47 -1.266 5.314 7.516 1.00 0.00 N ATOM 751 CA PRO A 47 0.161 5.548 7.741 1.00 0.00 C ATOM 752 C PRO A 47 1.030 4.844 6.703 1.00 0.00 C ATOM 753 O PRO A 47 2.165 5.246 6.447 1.00 0.00 O ATOM 754 CB PRO A 47 0.395 4.947 9.125 1.00 0.00 C ATOM 755 CG PRO A 47 -0.608 3.851 9.229 1.00 0.00 C ATOM 756 CD PRO A 47 -1.811 4.303 8.445 1.00 0.00 C ATOM 0 HA PRO A 47 0.423 6.603 7.666 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.411 4.566 9.226 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.254 5.690 9.910 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.209 2.920 8.827 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.871 3.662 10.270 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.273 3.474 7.908 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.576 4.728 9.095 1.00 0.00 H new ATOM 764 N VAL A 48 0.484 3.790 6.104 1.00 0.00 N ATOM 765 CA VAL A 48 1.202 3.025 5.096 1.00 0.00 C ATOM 766 C VAL A 48 0.260 2.477 4.030 1.00 0.00 C ATOM 767 O VAL A 48 -0.787 1.913 4.340 1.00 0.00 O ATOM 768 CB VAL A 48 1.958 1.852 5.736 1.00 0.00 C ATOM 769 CG1 VAL A 48 3.067 1.358 4.821 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.508 2.273 7.084 1.00 0.00 C ATOM 0 H VAL A 48 -0.456 3.447 6.302 1.00 0.00 H new ATOM 0 HA VAL A 48 1.910 3.708 4.627 1.00 0.00 H new ATOM 0 HB VAL A 48 1.265 1.024 5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.588 0.527 5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.638 1.024 3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.772 2.168 4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.044 1.438 7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.190 3.113 6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.686 2.571 7.735 1.00 0.00 H new ATOM 780 N ILE A 49 0.651 2.644 2.775 1.00 0.00 N ATOM 781 CA ILE A 49 -0.132 2.166 1.645 1.00 0.00 C ATOM 782 C ILE A 49 0.642 1.092 0.888 1.00 0.00 C ATOM 783 O ILE A 49 1.873 1.111 0.859 1.00 0.00 O ATOM 784 CB ILE A 49 -0.488 3.310 0.678 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.027 4.516 1.451 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.501 2.838 -0.354 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.307 4.227 2.206 1.00 0.00 C ATOM 0 H ILE A 49 1.518 3.113 2.512 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.058 1.749 2.041 1.00 0.00 H new ATOM 0 HB ILE A 49 0.418 3.615 0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.268 4.855 2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.203 5.335 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.742 3.659 -1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.080 2.010 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.408 2.506 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.631 5.126 2.730 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.081 3.917 1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.131 3.429 2.928 1.00 0.00 H new ATOM 799 N VAL A 50 -0.080 0.162 0.275 1.00 0.00 N ATOM 800 CA VAL A 50 0.548 -0.916 -0.479 1.00 0.00 C ATOM 801 C VAL A 50 -0.261 -1.251 -1.726 1.00 0.00 C ATOM 802 O VAL A 50 -1.263 -1.963 -1.658 1.00 0.00 O ATOM 803 CB VAL A 50 0.707 -2.192 0.377 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.196 -3.359 -0.471 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.658 -1.942 1.535 1.00 0.00 C ATOM 0 H VAL A 50 -1.100 0.132 0.285 1.00 0.00 H new ATOM 0 HA VAL A 50 1.537 -0.563 -0.770 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.271 -2.452 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.300 -4.245 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.477 -3.558 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.162 -3.110 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.758 -2.852 2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.635 -1.652 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.265 -1.142 2.163 1.00 0.00 H new ATOM 815 N LEU A 51 0.187 -0.738 -2.861 1.00 0.00 N ATOM 816 CA LEU A 51 -0.489 -0.987 -4.127 1.00 0.00 C ATOM 817 C LEU A 51 0.001 -2.288 -4.753 1.00 0.00 C ATOM 818 O LEU A 51 1.153 -2.683 -4.577 1.00 0.00 O ATOM 819 CB LEU A 51 -0.266 0.175 -5.096 1.00 0.00 C ATOM 820 CG LEU A 51 -0.978 0.038 -6.444 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.402 0.563 -6.351 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.207 0.768 -7.533 1.00 0.00 C ATOM 0 H LEU A 51 1.015 -0.147 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.557 -1.076 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.599 1.096 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.804 0.278 -5.276 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.019 -1.019 -6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.893 0.458 -7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.952 -0.007 -5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.384 1.615 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.729 0.659 -8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.132 1.825 -7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.793 0.343 -7.618 1.00 0.00 H new ATOM 834 N ASP A 52 -0.886 -2.945 -5.487 1.00 0.00 N ATOM 835 CA ASP A 52 -0.562 -4.202 -6.151 1.00 0.00 C ATOM 836 C ASP A 52 -1.191 -4.249 -7.538 1.00 0.00 C ATOM 837 O ASP A 52 -2.406 -4.394 -7.675 1.00 0.00 O ATOM 838 CB ASP A 52 -1.047 -5.388 -5.315 1.00 0.00 C ATOM 839 CG ASP A 52 -0.090 -6.563 -5.366 1.00 0.00 C ATOM 840 OD1 ASP A 52 0.321 -6.944 -6.482 1.00 0.00 O ATOM 841 OD2 ASP A 52 0.248 -7.101 -4.291 1.00 0.00 O ATOM 0 H ASP A 52 -1.843 -2.626 -5.639 1.00 0.00 H new ATOM 0 HA ASP A 52 0.521 -4.266 -6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.174 -5.071 -4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.026 -5.705 -5.674 1.00 0.00 H new ATOM 846 N VAL A 53 -0.359 -4.112 -8.563 1.00 0.00 N ATOM 847 CA VAL A 53 -0.833 -4.127 -9.940 1.00 0.00 C ATOM 848 C VAL A 53 -1.184 -5.542 -10.401 1.00 0.00 C ATOM 849 O VAL A 53 -0.597 -6.062 -11.351 1.00 0.00 O ATOM 850 CB VAL A 53 0.218 -3.515 -10.894 1.00 0.00 C ATOM 851 CG1 VAL A 53 0.576 -2.101 -10.458 1.00 0.00 C ATOM 852 CG2 VAL A 53 1.464 -4.387 -10.958 1.00 0.00 C ATOM 0 H VAL A 53 0.649 -3.989 -8.466 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.739 -3.521 -9.971 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.215 -3.469 -11.893 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.317 -1.686 -11.141 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.319 -1.479 -10.472 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.986 -2.124 -9.448 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.189 -3.936 -11.635 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.901 -4.471 -9.963 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.196 -5.379 -11.322 1.00 0.00 H new ATOM 862 N TRP A 54 -2.153 -6.162 -9.732 1.00 0.00 N ATOM 863 CA TRP A 54 -2.579 -7.510 -10.089 1.00 0.00 C ATOM 864 C TRP A 54 -3.307 -7.500 -11.432 1.00 0.00 C ATOM 865 O TRP A 54 -2.725 -7.822 -12.466 1.00 0.00 O ATOM 866 CB TRP A 54 -3.481 -8.091 -8.995 1.00 0.00 C ATOM 867 CG TRP A 54 -4.057 -9.431 -9.343 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.371 -9.799 -9.282 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.339 -10.580 -9.806 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.512 -11.107 -9.680 1.00 0.00 N ATOM 871 CE2 TRP A 54 -4.279 -11.609 -10.005 1.00 0.00 C ATOM 872 CE3 TRP A 54 -1.991 -10.840 -10.071 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -3.914 -12.874 -10.458 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.631 -12.097 -10.520 1.00 0.00 C ATOM 875 CH2 TRP A 54 -2.589 -13.099 -10.710 1.00 0.00 C ATOM 0 H TRP A 54 -2.655 -5.754 -8.944 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.695 -8.141 -10.180 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.908 -8.179 -8.072 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.296 -7.394 -8.799 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.180 -9.157 -8.967 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.392 -11.621 -9.726 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.245 -10.073 -9.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.651 -13.650 -10.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.593 -12.309 -10.728 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.275 -14.070 -11.063 1.00 0.00 H new ATOM 886 N MET A 55 -4.580 -7.113 -11.408 1.00 0.00 N ATOM 887 CA MET A 55 -5.380 -7.046 -12.624 1.00 0.00 C ATOM 888 C MET A 55 -6.507 -6.019 -12.483 1.00 0.00 C ATOM 889 O MET A 55 -7.667 -6.321 -12.765 1.00 0.00 O ATOM 890 CB MET A 55 -5.964 -8.422 -12.952 1.00 0.00 C ATOM 891 CG MET A 55 -6.288 -8.611 -14.426 1.00 0.00 C ATOM 892 SD MET A 55 -6.520 -10.343 -14.869 1.00 0.00 S ATOM 893 CE MET A 55 -6.169 -10.293 -16.625 1.00 0.00 C ATOM 0 H MET A 55 -5.078 -6.842 -10.560 1.00 0.00 H new ATOM 0 HA MET A 55 -4.729 -6.732 -13.440 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.256 -9.191 -12.643 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.872 -8.571 -12.367 1.00 0.00 H new ATOM 0 HG2 MET A 55 -7.192 -8.053 -14.670 1.00 0.00 H new ATOM 0 HG3 MET A 55 -5.482 -8.191 -15.028 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.271 -11.294 -17.045 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.871 -9.619 -17.117 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.151 -9.935 -16.783 1.00 0.00 H new ATOM 903 N PRO A 56 -6.184 -4.787 -12.039 1.00 0.00 N ATOM 904 CA PRO A 56 -7.161 -3.726 -11.858 1.00 0.00 C ATOM 905 C PRO A 56 -7.272 -2.831 -13.089 1.00 0.00 C ATOM 906 O PRO A 56 -6.889 -3.224 -14.191 1.00 0.00 O ATOM 907 CB PRO A 56 -6.590 -2.939 -10.670 1.00 0.00 C ATOM 908 CG PRO A 56 -5.145 -3.339 -10.555 1.00 0.00 C ATOM 909 CD PRO A 56 -4.850 -4.312 -11.670 1.00 0.00 C ATOM 0 HA PRO A 56 -8.168 -4.109 -11.695 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.685 -1.865 -10.833 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.132 -3.171 -9.753 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.499 -2.464 -10.629 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.951 -3.798 -9.585 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.346 -3.829 -12.507 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.207 -5.127 -11.338 1.00 0.00 H new ATOM 917 N ASP A 57 -7.799 -1.626 -12.895 1.00 0.00 N ATOM 918 CA ASP A 57 -7.957 -0.676 -13.990 1.00 0.00 C ATOM 919 C ASP A 57 -7.680 0.750 -13.522 1.00 0.00 C ATOM 920 O ASP A 57 -8.359 1.691 -13.931 1.00 0.00 O ATOM 921 CB ASP A 57 -9.367 -0.770 -14.573 1.00 0.00 C ATOM 922 CG ASP A 57 -9.540 0.089 -15.810 1.00 0.00 C ATOM 923 OD1 ASP A 57 -8.909 -0.223 -16.843 1.00 0.00 O ATOM 924 OD2 ASP A 57 -10.306 1.073 -15.748 1.00 0.00 O ATOM 0 H ASP A 57 -8.124 -1.285 -11.990 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.233 -0.929 -14.764 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.586 -1.808 -14.822 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -10.091 -0.464 -13.817 1.00 0.00 H new ATOM 929 N GLY A 58 -6.677 0.902 -12.661 1.00 0.00 N ATOM 930 CA GLY A 58 -6.331 2.216 -12.154 1.00 0.00 C ATOM 931 C GLY A 58 -5.149 2.825 -12.884 1.00 0.00 C ATOM 932 O GLY A 58 -5.324 3.634 -13.795 1.00 0.00 O ATOM 0 H GLY A 58 -6.100 0.139 -12.307 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.192 2.877 -12.248 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.100 2.143 -11.091 1.00 0.00 H new ATOM 936 N ASP A 59 -3.944 2.436 -12.481 1.00 0.00 N ATOM 937 CA ASP A 59 -2.728 2.950 -13.103 1.00 0.00 C ATOM 938 C ASP A 59 -2.664 4.470 -12.994 1.00 0.00 C ATOM 939 O ASP A 59 -2.769 5.181 -13.994 1.00 0.00 O ATOM 940 CB ASP A 59 -2.663 2.525 -14.571 1.00 0.00 C ATOM 941 CG ASP A 59 -2.162 1.104 -14.740 1.00 0.00 C ATOM 942 OD1 ASP A 59 -2.719 0.197 -14.087 1.00 0.00 O ATOM 943 OD2 ASP A 59 -1.213 0.899 -15.526 1.00 0.00 O ATOM 0 H ASP A 59 -3.783 1.768 -11.728 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.872 2.531 -12.575 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.654 2.613 -15.016 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.008 3.205 -15.115 1.00 0.00 H new ATOM 948 N GLY A 60 -2.493 4.962 -11.772 1.00 0.00 N ATOM 949 CA GLY A 60 -2.420 6.395 -11.553 1.00 0.00 C ATOM 950 C GLY A 60 -1.052 6.844 -11.082 1.00 0.00 C ATOM 951 O GLY A 60 -0.767 6.836 -9.884 1.00 0.00 O ATOM 0 H GLY A 60 -2.404 4.394 -10.929 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.669 6.913 -12.479 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.167 6.684 -10.814 1.00 0.00 H new ATOM 955 N VAL A 61 -0.203 7.239 -12.026 1.00 0.00 N ATOM 956 CA VAL A 61 1.137 7.697 -11.707 1.00 0.00 C ATOM 957 C VAL A 61 1.093 8.900 -10.768 1.00 0.00 C ATOM 958 O VAL A 61 1.965 9.070 -9.916 1.00 0.00 O ATOM 959 CB VAL A 61 1.900 8.076 -12.990 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.251 8.678 -12.657 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.061 6.864 -13.896 1.00 0.00 C ATOM 0 H VAL A 61 -0.425 7.249 -13.022 1.00 0.00 H new ATOM 0 HA VAL A 61 1.657 6.879 -11.209 1.00 0.00 H new ATOM 0 HB VAL A 61 1.316 8.827 -13.522 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.771 8.938 -13.579 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.111 9.575 -12.055 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.844 7.954 -12.098 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.602 7.153 -14.797 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.618 6.088 -13.371 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.078 6.482 -14.170 1.00 0.00 H new ATOM 971 N ASN A 62 0.071 9.731 -10.934 1.00 0.00 N ATOM 972 CA ASN A 62 -0.091 10.923 -10.108 1.00 0.00 C ATOM 973 C ASN A 62 -0.726 10.589 -8.756 1.00 0.00 C ATOM 974 O ASN A 62 -0.922 11.475 -7.924 1.00 0.00 O ATOM 975 CB ASN A 62 -0.944 11.961 -10.843 1.00 0.00 C ATOM 976 CG ASN A 62 -0.195 13.256 -11.087 1.00 0.00 C ATOM 977 OD1 ASN A 62 -0.146 14.131 -10.223 1.00 0.00 O ATOM 978 ND2 ASN A 62 0.393 13.385 -12.271 1.00 0.00 N ATOM 0 H ASN A 62 -0.659 9.602 -11.634 1.00 0.00 H new ATOM 0 HA ASN A 62 0.901 11.335 -9.921 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.271 11.548 -11.797 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.842 12.168 -10.260 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.911 14.235 -12.493 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.327 12.634 -12.958 1.00 0.00 H new ATOM 985 N PHE A 63 -1.046 9.315 -8.536 1.00 0.00 N ATOM 986 CA PHE A 63 -1.657 8.893 -7.280 1.00 0.00 C ATOM 987 C PHE A 63 -0.744 9.206 -6.100 1.00 0.00 C ATOM 988 O PHE A 63 -1.211 9.602 -5.032 1.00 0.00 O ATOM 989 CB PHE A 63 -1.969 7.395 -7.308 1.00 0.00 C ATOM 990 CG PHE A 63 -2.791 6.932 -6.136 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.889 7.662 -5.712 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.464 5.766 -5.459 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.647 7.241 -4.636 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.220 5.339 -4.382 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.312 6.077 -3.971 1.00 0.00 C ATOM 0 H PHE A 63 -0.893 8.562 -9.207 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.588 9.447 -7.160 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.500 7.160 -8.230 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.033 6.837 -7.328 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.156 8.572 -6.229 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.610 5.186 -5.776 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.500 7.821 -4.315 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.956 4.429 -3.863 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.904 5.745 -3.131 1.00 0.00 H new ATOM 1005 N ILE A 64 0.560 9.028 -6.303 1.00 0.00 N ATOM 1006 CA ILE A 64 1.546 9.290 -5.257 1.00 0.00 C ATOM 1007 C ILE A 64 1.280 10.629 -4.574 1.00 0.00 C ATOM 1008 O ILE A 64 1.356 10.737 -3.350 1.00 0.00 O ATOM 1009 CB ILE A 64 2.983 9.276 -5.825 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.326 7.882 -6.354 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.987 9.703 -4.763 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.204 7.754 -7.856 1.00 0.00 C ATOM 0 H ILE A 64 0.959 8.703 -7.184 1.00 0.00 H new ATOM 0 HA ILE A 64 1.452 8.492 -4.520 1.00 0.00 H new ATOM 0 HB ILE A 64 3.036 9.988 -6.649 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.345 7.632 -6.059 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.669 7.152 -5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.992 9.686 -5.185 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.752 10.712 -4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.936 9.017 -3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.463 6.739 -8.157 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.180 7.972 -8.158 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.882 8.459 -8.337 1.00 0.00 H new ATOM 1024 N ASP A 65 0.957 11.642 -5.369 1.00 0.00 N ATOM 1025 CA ASP A 65 0.670 12.964 -4.830 1.00 0.00 C ATOM 1026 C ASP A 65 -0.577 12.915 -3.958 1.00 0.00 C ATOM 1027 O ASP A 65 -0.608 13.490 -2.870 1.00 0.00 O ATOM 1028 CB ASP A 65 0.490 13.979 -5.961 1.00 0.00 C ATOM 1029 CG ASP A 65 1.282 15.251 -5.727 1.00 0.00 C ATOM 1030 OD1 ASP A 65 2.504 15.246 -5.983 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.679 16.252 -5.285 1.00 0.00 O ATOM 0 H ASP A 65 0.888 11.573 -6.384 1.00 0.00 H new ATOM 0 HA ASP A 65 1.514 13.280 -4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.802 13.528 -6.903 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.567 14.225 -6.060 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.596 12.207 -4.435 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.838 12.065 -3.684 1.00 0.00 C ATOM 1038 C PHE A 66 -2.548 11.450 -2.320 1.00 0.00 C ATOM 1039 O PHE A 66 -3.198 11.774 -1.326 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.833 11.195 -4.462 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.033 10.774 -3.658 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -4.952 9.708 -2.776 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.239 11.444 -3.786 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.051 9.318 -2.036 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.342 11.058 -3.048 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.249 9.994 -2.172 1.00 0.00 C ATOM 0 H PHE A 66 -1.587 11.725 -5.334 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.282 13.050 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.171 11.744 -5.341 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.318 10.304 -4.822 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.019 9.176 -2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.318 12.276 -4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.974 8.486 -1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.277 11.588 -3.156 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.110 9.691 -1.595 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.553 10.569 -2.284 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.155 9.913 -1.047 1.00 0.00 C ATOM 1058 C ILE A 67 -0.598 10.935 -0.063 1.00 0.00 C ATOM 1059 O ILE A 67 -1.057 11.033 1.076 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.091 8.820 -1.290 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -0.364 8.052 -2.590 1.00 0.00 C ATOM 1062 CG2 ILE A 67 -0.040 7.866 -0.109 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.803 7.607 -2.764 1.00 0.00 C ATOM 0 H ILE A 67 -1.007 10.294 -3.101 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.047 9.441 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 67 0.878 9.309 -1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.087 8.682 -3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.281 7.174 -2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.714 7.100 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.217 8.419 0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.014 7.393 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.907 7.072 -3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.082 6.949 -1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.456 8.480 -2.768 1.00 0.00 H new ATOM 1075 N LYS A 68 0.387 11.703 -0.518 1.00 0.00 N ATOM 1076 CA LYS A 68 1.002 12.730 0.316 1.00 0.00 C ATOM 1077 C LYS A 68 0.056 13.915 0.500 1.00 0.00 C ATOM 1078 O LYS A 68 0.242 14.735 1.398 1.00 0.00 O ATOM 1079 CB LYS A 68 2.317 13.203 -0.307 1.00 0.00 C ATOM 1080 CG LYS A 68 3.322 12.084 -0.530 1.00 0.00 C ATOM 1081 CD LYS A 68 4.743 12.621 -0.635 1.00 0.00 C ATOM 1082 CE LYS A 68 5.262 12.551 -2.061 1.00 0.00 C ATOM 1083 NZ LYS A 68 4.791 13.701 -2.882 1.00 0.00 N ATOM 0 H LYS A 68 0.776 11.634 -1.458 1.00 0.00 H new ATOM 0 HA LYS A 68 1.209 12.296 1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.105 13.685 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.764 13.958 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.262 11.371 0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.069 11.543 -1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.769 13.654 -0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.399 12.048 0.020 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.352 12.535 -2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.934 11.619 -2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.167 13.615 -3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.751 13.702 -2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.125 14.590 -2.458 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.962 13.997 -0.356 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.938 15.077 -0.286 1.00 0.00 C ATOM 1099 C GLU A 69 -2.808 14.944 0.957 1.00 0.00 C ATOM 1100 O GLU A 69 -3.067 15.925 1.655 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.817 15.075 -1.537 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.689 16.313 -1.671 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.723 16.180 -2.773 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -4.345 15.791 -3.897 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.910 16.468 -2.511 1.00 0.00 O ATOM 0 H GLU A 69 -1.130 13.326 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.396 16.021 -0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.180 14.992 -2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.455 14.191 -1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.195 16.501 -0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.057 17.178 -1.873 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.260 13.724 1.228 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.105 13.460 2.387 1.00 0.00 C ATOM 1114 C ASN A 70 -3.407 12.536 3.385 1.00 0.00 C ATOM 1115 O ASN A 70 -4.039 12.013 4.301 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.434 12.843 1.944 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.976 13.484 0.681 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -6.948 14.238 0.721 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.345 13.186 -0.450 1.00 0.00 N ATOM 0 H ASN A 70 -3.055 12.902 0.660 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.298 14.411 2.883 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.298 11.775 1.776 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.166 12.949 2.745 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.663 13.588 -1.332 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.543 12.556 -0.436 1.00 0.00 H new ATOM 1126 N SER A 71 -2.102 12.342 3.205 1.00 0.00 N ATOM 1127 CA SER A 71 -1.331 11.484 4.095 1.00 0.00 C ATOM 1128 C SER A 71 0.165 11.760 3.956 1.00 0.00 C ATOM 1129 O SER A 71 0.923 10.908 3.490 1.00 0.00 O ATOM 1130 CB SER A 71 -1.622 10.011 3.798 1.00 0.00 C ATOM 1131 OG SER A 71 -2.601 9.495 4.684 1.00 0.00 O ATOM 0 H SER A 71 -1.560 12.767 2.453 1.00 0.00 H new ATOM 0 HA SER A 71 -1.629 11.705 5.120 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.966 9.906 2.769 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.704 9.431 3.888 1.00 0.00 H new ATOM 0 HG SER A 71 -3.317 10.154 4.801 1.00 0.00 H new ATOM 1137 N PRO A 72 0.614 12.962 4.361 1.00 0.00 N ATOM 1138 CA PRO A 72 2.024 13.350 4.279 1.00 0.00 C ATOM 1139 C PRO A 72 2.885 12.612 5.294 1.00 0.00 C ATOM 1140 O PRO A 72 4.107 12.538 5.159 1.00 0.00 O ATOM 1141 CB PRO A 72 2.017 14.858 4.578 1.00 0.00 C ATOM 1142 CG PRO A 72 0.579 15.266 4.582 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.209 14.037 4.926 1.00 0.00 C ATOM 0 HA PRO A 72 2.450 13.105 3.306 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.486 15.068 5.539 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.578 15.409 3.823 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.402 16.057 5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.284 15.657 3.608 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.338 13.926 6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.206 14.058 4.486 1.00 0.00 H new ATOM 1151 N ASP A 73 2.234 12.066 6.308 1.00 0.00 N ATOM 1152 CA ASP A 73 2.924 11.323 7.357 1.00 0.00 C ATOM 1153 C ASP A 73 2.672 9.826 7.211 1.00 0.00 C ATOM 1154 O ASP A 73 2.636 9.092 8.197 1.00 0.00 O ATOM 1155 CB ASP A 73 2.465 11.800 8.732 1.00 0.00 C ATOM 1156 CG ASP A 73 3.517 11.581 9.802 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.268 10.589 9.702 1.00 0.00 O ATOM 1158 OD2 ASP A 73 3.590 12.403 10.740 1.00 0.00 O ATOM 0 H ASP A 73 1.223 12.122 6.430 1.00 0.00 H new ATOM 0 HA ASP A 73 3.994 11.505 7.259 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.218 12.860 8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.553 11.273 9.010 1.00 0.00 H new ATOM 1163 N SER A 74 2.498 9.385 5.969 1.00 0.00 N ATOM 1164 CA SER A 74 2.247 7.979 5.680 1.00 0.00 C ATOM 1165 C SER A 74 3.441 7.359 4.955 1.00 0.00 C ATOM 1166 O SER A 74 4.554 7.880 5.022 1.00 0.00 O ATOM 1167 CB SER A 74 0.979 7.843 4.832 1.00 0.00 C ATOM 1168 OG SER A 74 0.682 6.483 4.565 1.00 0.00 O ATOM 0 H SER A 74 2.527 9.984 5.144 1.00 0.00 H new ATOM 0 HA SER A 74 2.105 7.446 6.620 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.140 8.306 5.352 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.108 8.381 3.893 1.00 0.00 H new ATOM 0 HG SER A 74 -0.248 6.297 4.811 1.00 0.00 H new ATOM 1174 N VAL A 75 3.204 6.257 4.247 1.00 0.00 N ATOM 1175 CA VAL A 75 4.268 5.597 3.501 1.00 0.00 C ATOM 1176 C VAL A 75 3.737 4.897 2.262 1.00 0.00 C ATOM 1177 O VAL A 75 2.702 4.245 2.299 1.00 0.00 O ATOM 1178 CB VAL A 75 5.030 4.568 4.350 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.172 3.984 3.530 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.547 5.206 5.629 1.00 0.00 C ATOM 0 H VAL A 75 2.292 5.807 4.175 1.00 0.00 H new ATOM 0 HA VAL A 75 4.953 6.393 3.209 1.00 0.00 H new ATOM 0 HB VAL A 75 4.352 3.763 4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.714 3.253 4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.770 3.497 2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.850 4.783 3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.084 4.461 6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.221 6.026 5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.708 5.590 6.209 1.00 0.00 H new ATOM 1190 N VAL A 76 4.450 5.057 1.159 1.00 0.00 N ATOM 1191 CA VAL A 76 4.045 4.454 -0.105 1.00 0.00 C ATOM 1192 C VAL A 76 5.035 3.391 -0.564 1.00 0.00 C ATOM 1193 O VAL A 76 6.188 3.693 -0.870 1.00 0.00 O ATOM 1194 CB VAL A 76 3.897 5.514 -1.212 1.00 0.00 C ATOM 1195 CG1 VAL A 76 3.243 4.912 -2.446 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.102 6.709 -0.707 1.00 0.00 C ATOM 0 H VAL A 76 5.313 5.599 1.111 1.00 0.00 H new ATOM 0 HA VAL A 76 3.078 3.984 0.073 1.00 0.00 H new ATOM 0 HB VAL A 76 4.892 5.861 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.147 5.677 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.858 4.094 -2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.255 4.533 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.008 7.447 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.110 6.381 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.618 7.156 0.143 1.00 0.00 H new ATOM 1206 N ILE A 77 4.574 2.146 -0.619 1.00 0.00 N ATOM 1207 CA ILE A 77 5.420 1.040 -1.053 1.00 0.00 C ATOM 1208 C ILE A 77 5.121 0.667 -2.502 1.00 0.00 C ATOM 1209 O ILE A 77 6.033 0.516 -3.314 1.00 0.00 O ATOM 1210 CB ILE A 77 5.234 -0.199 -0.154 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.458 0.174 1.314 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.186 -1.311 -0.573 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.870 0.631 1.613 1.00 0.00 C ATOM 0 H ILE A 77 3.622 1.878 -0.369 1.00 0.00 H new ATOM 0 HA ILE A 77 6.454 1.374 -0.973 1.00 0.00 H new ATOM 0 HB ILE A 77 4.213 -0.562 -0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.762 0.967 1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.223 -0.687 1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.040 -2.177 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.985 -1.591 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.215 -0.962 -0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.956 0.879 2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.570 -0.168 1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.102 1.512 1.014 1.00 0.00 H new ATOM 1225 N VAL A 78 3.836 0.529 -2.824 1.00 0.00 N ATOM 1226 CA VAL A 78 3.416 0.185 -4.181 1.00 0.00 C ATOM 1227 C VAL A 78 4.186 -1.022 -4.711 1.00 0.00 C ATOM 1228 O VAL A 78 5.206 -0.875 -5.385 1.00 0.00 O ATOM 1229 CB VAL A 78 3.610 1.380 -5.138 1.00 0.00 C ATOM 1230 CG1 VAL A 78 3.148 1.028 -6.545 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.866 2.600 -4.619 1.00 0.00 C ATOM 0 H VAL A 78 3.068 0.650 -2.164 1.00 0.00 H new ATOM 0 HA VAL A 78 2.357 -0.068 -4.136 1.00 0.00 H new ATOM 0 HB VAL A 78 4.673 1.615 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.295 1.886 -7.201 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.727 0.183 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.091 0.763 -6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.013 3.434 -5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.802 2.373 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.249 2.868 -3.634 1.00 0.00 H new ATOM 1241 N ILE A 79 3.687 -2.214 -4.401 1.00 0.00 N ATOM 1242 CA ILE A 79 4.321 -3.451 -4.846 1.00 0.00 C ATOM 1243 C ILE A 79 3.696 -3.946 -6.146 1.00 0.00 C ATOM 1244 O ILE A 79 2.597 -3.530 -6.513 1.00 0.00 O ATOM 1245 CB ILE A 79 4.207 -4.561 -3.781 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.457 -3.993 -2.384 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.187 -5.684 -4.081 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.309 -5.016 -1.279 1.00 0.00 C ATOM 0 H ILE A 79 2.844 -2.350 -3.843 1.00 0.00 H new ATOM 0 HA ILE A 79 5.375 -3.225 -5.010 1.00 0.00 H new ATOM 0 HB ILE A 79 3.195 -4.965 -3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.462 -3.573 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.762 -3.173 -2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.095 -6.460 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.966 -6.108 -5.061 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.204 -5.291 -4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.501 -4.542 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.296 -5.419 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.023 -5.825 -1.434 1.00 0.00 H new ATOM 1260 N THR A 80 4.400 -4.834 -6.840 1.00 0.00 N ATOM 1261 CA THR A 80 3.908 -5.380 -8.100 1.00 0.00 C ATOM 1262 C THR A 80 4.549 -6.729 -8.401 1.00 0.00 C ATOM 1263 O THR A 80 5.636 -7.036 -7.910 1.00 0.00 O ATOM 1264 CB THR A 80 4.189 -4.403 -9.242 1.00 0.00 C ATOM 1265 OG1 THR A 80 5.583 -4.274 -9.457 1.00 0.00 O ATOM 1266 CG2 THR A 80 3.628 -3.019 -8.997 1.00 0.00 C ATOM 0 H THR A 80 5.311 -5.190 -6.552 1.00 0.00 H new ATOM 0 HA THR A 80 2.832 -5.526 -8.008 1.00 0.00 H new ATOM 0 HB THR A 80 3.693 -4.826 -10.116 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.925 -3.516 -8.938 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.863 -2.376 -9.845 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.546 -3.081 -8.877 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.070 -2.602 -8.092 1.00 0.00 H new ATOM 1274 N GLY A 81 3.869 -7.532 -9.214 1.00 0.00 N ATOM 1275 CA GLY A 81 4.386 -8.840 -9.571 1.00 0.00 C ATOM 1276 C GLY A 81 4.167 -9.170 -11.034 1.00 0.00 C ATOM 1277 O GLY A 81 3.786 -8.303 -11.822 1.00 0.00 O ATOM 0 H GLY A 81 2.968 -7.299 -9.632 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.452 -8.879 -9.349 1.00 0.00 H new ATOM 0 HA3 GLY A 81 3.904 -9.599 -8.954 1.00 0.00 H new ATOM 1281 N HIS A 82 4.407 -10.425 -11.400 1.00 0.00 N ATOM 1282 CA HIS A 82 4.233 -10.870 -12.780 1.00 0.00 C ATOM 1283 C HIS A 82 5.225 -10.172 -13.707 1.00 0.00 C ATOM 1284 O HIS A 82 6.235 -10.755 -14.103 1.00 0.00 O ATOM 1285 CB HIS A 82 2.799 -10.609 -13.249 1.00 0.00 C ATOM 1286 CG HIS A 82 2.038 -11.860 -13.561 1.00 0.00 C ATOM 1287 ND1 HIS A 82 0.932 -11.883 -14.386 1.00 0.00 N ATOM 1288 CD2 HIS A 82 2.229 -13.138 -13.156 1.00 0.00 C ATOM 1289 CE1 HIS A 82 0.476 -13.120 -14.473 1.00 0.00 C ATOM 1290 NE2 HIS A 82 1.246 -13.901 -13.737 1.00 0.00 N ATOM 0 H HIS A 82 4.723 -11.154 -10.760 1.00 0.00 H new ATOM 0 HA HIS A 82 4.426 -11.942 -12.816 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.268 -10.053 -12.477 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.824 -9.977 -14.137 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.009 -13.492 -12.498 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -0.381 -13.438 -15.048 1.00 0.00 H new ATOM 0 HE2 HIS A 82 1.129 -14.907 -13.619 1.00 0.00 H new ATOM 1299 N GLY A 83 4.931 -8.921 -14.050 1.00 0.00 N ATOM 1300 CA GLY A 83 5.808 -8.168 -14.927 1.00 0.00 C ATOM 1301 C GLY A 83 5.605 -6.671 -14.805 1.00 0.00 C ATOM 1302 O GLY A 83 4.592 -6.135 -15.255 1.00 0.00 O ATOM 0 H GLY A 83 4.102 -8.416 -13.736 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.845 -8.411 -14.694 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.633 -8.472 -15.959 1.00 0.00 H new ATOM 1306 N SER A 84 6.572 -5.994 -14.195 1.00 0.00 N ATOM 1307 CA SER A 84 6.498 -4.549 -14.015 1.00 0.00 C ATOM 1308 C SER A 84 7.824 -3.995 -13.505 1.00 0.00 C ATOM 1309 O SER A 84 8.290 -4.364 -12.427 1.00 0.00 O ATOM 1310 CB SER A 84 5.375 -4.194 -13.039 1.00 0.00 C ATOM 1311 OG SER A 84 4.160 -3.946 -13.726 1.00 0.00 O ATOM 0 H SER A 84 7.417 -6.423 -13.817 1.00 0.00 H new ATOM 0 HA SER A 84 6.286 -4.097 -14.984 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.235 -5.009 -12.329 1.00 0.00 H new ATOM 0 HB3 SER A 84 5.656 -3.313 -12.462 1.00 0.00 H new ATOM 0 HG SER A 84 4.024 -4.635 -14.410 1.00 0.00 H new ATOM 1317 N VAL A 85 8.429 -3.107 -14.288 1.00 0.00 N ATOM 1318 CA VAL A 85 9.701 -2.501 -13.917 1.00 0.00 C ATOM 1319 C VAL A 85 9.672 -0.992 -14.130 1.00 0.00 C ATOM 1320 O VAL A 85 9.995 -0.221 -13.225 1.00 0.00 O ATOM 1321 CB VAL A 85 10.866 -3.099 -14.727 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.201 -2.605 -14.191 1.00 0.00 C ATOM 1323 CG2 VAL A 85 10.805 -4.619 -14.707 1.00 0.00 C ATOM 0 H VAL A 85 8.058 -2.792 -15.184 1.00 0.00 H new ATOM 0 HA VAL A 85 9.857 -2.714 -12.859 1.00 0.00 H new ATOM 0 HB VAL A 85 10.772 -2.767 -15.761 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.011 -3.039 -14.777 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.243 -1.518 -14.264 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.307 -2.903 -13.148 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.636 -5.024 -15.284 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.872 -4.972 -13.678 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.863 -4.951 -15.144 1.00 0.00 H new ATOM 1333 N ASP A 86 9.283 -0.577 -15.330 1.00 0.00 N ATOM 1334 CA ASP A 86 9.210 0.842 -15.662 1.00 0.00 C ATOM 1335 C ASP A 86 8.086 1.533 -14.895 1.00 0.00 C ATOM 1336 O ASP A 86 8.020 2.762 -14.853 1.00 0.00 O ATOM 1337 CB ASP A 86 9.006 1.026 -17.166 1.00 0.00 C ATOM 1338 CG ASP A 86 10.074 0.328 -17.985 1.00 0.00 C ATOM 1339 OD1 ASP A 86 9.910 -0.877 -18.270 1.00 0.00 O ATOM 1340 OD2 ASP A 86 11.075 0.986 -18.341 1.00 0.00 O ATOM 0 H ASP A 86 9.013 -1.202 -16.089 1.00 0.00 H new ATOM 0 HA ASP A 86 10.154 1.302 -15.370 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.026 0.639 -17.447 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.008 2.090 -17.403 1.00 0.00 H new ATOM 1345 N THR A 87 7.208 0.746 -14.276 1.00 0.00 N ATOM 1346 CA THR A 87 6.107 1.303 -13.503 1.00 0.00 C ATOM 1347 C THR A 87 6.611 1.761 -12.140 1.00 0.00 C ATOM 1348 O THR A 87 6.158 2.770 -11.602 1.00 0.00 O ATOM 1349 CB THR A 87 4.978 0.275 -13.347 1.00 0.00 C ATOM 1350 OG1 THR A 87 3.745 0.924 -13.094 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.207 -0.724 -12.228 1.00 0.00 C ATOM 0 H THR A 87 7.239 -0.273 -14.296 1.00 0.00 H new ATOM 0 HA THR A 87 5.704 2.164 -14.036 1.00 0.00 H new ATOM 0 HB THR A 87 4.960 -0.269 -14.291 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.036 0.254 -12.999 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.367 -1.417 -12.181 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.125 -1.280 -12.419 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.294 -0.194 -11.279 1.00 0.00 H new ATOM 1359 N ALA A 88 7.567 1.014 -11.600 1.00 0.00 N ATOM 1360 CA ALA A 88 8.156 1.344 -10.311 1.00 0.00 C ATOM 1361 C ALA A 88 8.767 2.734 -10.357 1.00 0.00 C ATOM 1362 O ALA A 88 8.389 3.622 -9.592 1.00 0.00 O ATOM 1363 CB ALA A 88 9.214 0.320 -9.940 1.00 0.00 C ATOM 0 H ALA A 88 7.950 0.175 -12.036 1.00 0.00 H new ATOM 0 HA ALA A 88 7.373 1.328 -9.553 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.647 0.578 -8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.759 -0.669 -9.881 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.997 0.314 -10.699 1.00 0.00 H new ATOM 1369 N VAL A 89 9.707 2.913 -11.273 1.00 0.00 N ATOM 1370 CA VAL A 89 10.376 4.193 -11.445 1.00 0.00 C ATOM 1371 C VAL A 89 9.365 5.295 -11.758 1.00 0.00 C ATOM 1372 O VAL A 89 9.607 6.469 -11.480 1.00 0.00 O ATOM 1373 CB VAL A 89 11.426 4.126 -12.572 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.447 3.036 -12.283 1.00 0.00 C ATOM 1375 CG2 VAL A 89 10.757 3.893 -13.919 1.00 0.00 C ATOM 0 H VAL A 89 10.025 2.184 -11.911 1.00 0.00 H new ATOM 0 HA VAL A 89 10.881 4.425 -10.507 1.00 0.00 H new ATOM 0 HB VAL A 89 11.946 5.083 -12.614 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.181 3.002 -13.088 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.952 3.251 -11.341 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.941 2.073 -12.212 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.516 3.849 -14.700 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.207 2.952 -13.894 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.068 4.711 -14.129 1.00 0.00 H new ATOM 1385 N LYS A 90 8.227 4.903 -12.330 1.00 0.00 N ATOM 1386 CA LYS A 90 7.173 5.853 -12.671 1.00 0.00 C ATOM 1387 C LYS A 90 6.201 6.015 -11.507 1.00 0.00 C ATOM 1388 O LYS A 90 4.990 6.118 -11.702 1.00 0.00 O ATOM 1389 CB LYS A 90 6.421 5.388 -13.917 1.00 0.00 C ATOM 1390 CG LYS A 90 5.514 6.451 -14.518 1.00 0.00 C ATOM 1391 CD LYS A 90 4.710 5.903 -15.684 1.00 0.00 C ATOM 1392 CE LYS A 90 5.518 5.914 -16.972 1.00 0.00 C ATOM 1393 NZ LYS A 90 6.087 4.573 -17.282 1.00 0.00 N ATOM 0 H LYS A 90 8.013 3.934 -12.566 1.00 0.00 H new ATOM 0 HA LYS A 90 7.636 6.818 -12.877 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.144 5.072 -14.670 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.822 4.513 -13.663 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.836 6.827 -13.752 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.115 7.296 -14.854 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.392 4.884 -15.461 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.806 6.498 -15.815 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.883 6.238 -17.796 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.326 6.641 -16.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.943 4.685 -17.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.330 4.086 -16.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.386 4.011 -17.805 1.00 0.00 H new ATOM 1407 N ALA A 91 6.740 6.031 -10.293 1.00 0.00 N ATOM 1408 CA ALA A 91 5.922 6.176 -9.099 1.00 0.00 C ATOM 1409 C ALA A 91 6.788 6.404 -7.865 1.00 0.00 C ATOM 1410 O ALA A 91 6.444 7.203 -6.993 1.00 0.00 O ATOM 1411 CB ALA A 91 5.047 4.946 -8.911 1.00 0.00 C ATOM 0 H ALA A 91 7.740 5.945 -10.112 1.00 0.00 H new ATOM 0 HA ALA A 91 5.283 7.050 -9.228 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.439 5.066 -8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.396 4.827 -9.777 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.678 4.063 -8.807 1.00 0.00 H new ATOM 1417 N ILE A 92 7.910 5.693 -7.797 1.00 0.00 N ATOM 1418 CA ILE A 92 8.821 5.816 -6.665 1.00 0.00 C ATOM 1419 C ILE A 92 9.614 7.117 -6.737 1.00 0.00 C ATOM 1420 O ILE A 92 9.793 7.803 -5.731 1.00 0.00 O ATOM 1421 CB ILE A 92 9.789 4.611 -6.580 1.00 0.00 C ATOM 1422 CG1 ILE A 92 10.967 4.772 -7.549 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.042 3.312 -6.868 1.00 0.00 C ATOM 1424 CD1 ILE A 92 11.842 3.539 -7.650 1.00 0.00 C ATOM 0 H ILE A 92 8.209 5.028 -8.510 1.00 0.00 H new ATOM 0 HA ILE A 92 8.210 5.828 -5.763 1.00 0.00 H new ATOM 0 HB ILE A 92 10.190 4.574 -5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.582 5.016 -8.539 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.578 5.616 -7.228 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.734 2.472 -6.805 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.245 3.181 -6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.612 3.354 -7.869 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.654 3.726 -8.353 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.257 3.306 -6.669 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.245 2.697 -8.001 1.00 0.00 H new ATOM 1436 N LYS A 93 10.081 7.454 -7.933 1.00 0.00 N ATOM 1437 CA LYS A 93 10.848 8.677 -8.134 1.00 0.00 C ATOM 1438 C LYS A 93 10.013 9.906 -7.775 1.00 0.00 C ATOM 1439 O LYS A 93 10.553 10.976 -7.495 1.00 0.00 O ATOM 1440 CB LYS A 93 11.324 8.772 -9.586 1.00 0.00 C ATOM 1441 CG LYS A 93 12.814 9.035 -9.721 1.00 0.00 C ATOM 1442 CD LYS A 93 13.595 7.740 -9.874 1.00 0.00 C ATOM 1443 CE LYS A 93 13.889 7.105 -8.526 1.00 0.00 C ATOM 1444 NZ LYS A 93 15.013 7.784 -7.823 1.00 0.00 N ATOM 0 H LYS A 93 9.942 6.899 -8.777 1.00 0.00 H new ATOM 0 HA LYS A 93 11.717 8.646 -7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.079 7.843 -10.101 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.776 9.569 -10.088 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.995 9.675 -10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.170 9.575 -8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.028 7.042 -10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.531 7.938 -10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.995 7.145 -7.904 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.133 6.052 -8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.226 7.279 -6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.855 7.784 -8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.744 8.765 -7.605 1.00 0.00 H new ATOM 1458 N LYS A 94 8.691 9.742 -7.786 1.00 0.00 N ATOM 1459 CA LYS A 94 7.782 10.836 -7.463 1.00 0.00 C ATOM 1460 C LYS A 94 7.780 11.127 -5.964 1.00 0.00 C ATOM 1461 O LYS A 94 7.518 12.255 -5.545 1.00 0.00 O ATOM 1462 CB LYS A 94 6.367 10.505 -7.929 1.00 0.00 C ATOM 1463 CG LYS A 94 6.167 10.658 -9.429 1.00 0.00 C ATOM 1464 CD LYS A 94 5.684 12.054 -9.786 1.00 0.00 C ATOM 1465 CE LYS A 94 4.777 12.037 -11.005 1.00 0.00 C ATOM 1466 NZ LYS A 94 3.718 13.080 -10.922 1.00 0.00 N ATOM 0 H LYS A 94 8.228 8.863 -8.015 1.00 0.00 H new ATOM 0 HA LYS A 94 8.132 11.727 -7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.130 9.481 -7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.662 11.153 -7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.105 10.453 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.444 9.921 -9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.148 12.482 -8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.542 12.698 -9.979 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.373 12.195 -11.904 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.313 11.055 -11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.120 13.036 -11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.133 12.914 -10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.160 14.019 -10.858 1.00 0.00 H new ATOM 1480 N GLY A 95 8.072 10.108 -5.161 1.00 0.00 N ATOM 1481 CA GLY A 95 8.096 10.292 -3.721 1.00 0.00 C ATOM 1482 C GLY A 95 7.899 9.001 -2.945 1.00 0.00 C ATOM 1483 O GLY A 95 8.217 8.936 -1.757 1.00 0.00 O ATOM 0 H GLY A 95 8.291 9.164 -5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.049 10.738 -3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.316 10.999 -3.439 1.00 0.00 H new ATOM 1487 N ALA A 96 7.369 7.971 -3.603 1.00 0.00 N ATOM 1488 CA ALA A 96 7.133 6.688 -2.946 1.00 0.00 C ATOM 1489 C ALA A 96 8.382 6.194 -2.220 1.00 0.00 C ATOM 1490 O ALA A 96 9.435 6.831 -2.271 1.00 0.00 O ATOM 1491 CB ALA A 96 6.652 5.647 -3.951 1.00 0.00 C ATOM 0 H ALA A 96 7.096 8.000 -4.585 1.00 0.00 H new ATOM 0 HA ALA A 96 6.352 6.838 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.482 4.699 -3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.722 5.985 -4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.408 5.512 -4.725 1.00 0.00 H new ATOM 1497 N TYR A 97 8.253 5.062 -1.536 1.00 0.00 N ATOM 1498 CA TYR A 97 9.362 4.484 -0.786 1.00 0.00 C ATOM 1499 C TYR A 97 10.064 3.389 -1.583 1.00 0.00 C ATOM 1500 O TYR A 97 10.674 2.485 -1.016 1.00 0.00 O ATOM 1501 CB TYR A 97 8.847 3.923 0.537 1.00 0.00 C ATOM 1502 CG TYR A 97 9.923 3.336 1.422 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.876 4.148 2.024 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.983 1.969 1.658 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.857 3.614 2.837 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.962 1.426 2.468 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.896 2.253 3.055 1.00 0.00 C ATOM 1508 OH TYR A 97 12.873 1.717 3.863 1.00 0.00 O ATOM 0 H TYR A 97 7.387 4.525 -1.486 1.00 0.00 H new ATOM 0 HA TYR A 97 10.091 5.271 -0.592 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.338 4.718 1.082 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.104 3.153 0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.850 5.214 1.854 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.252 1.319 1.201 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.589 4.259 3.299 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.995 0.360 2.640 1.00 0.00 H new ATOM 0 HH TYR A 97 12.759 0.745 3.913 1.00 0.00 H new ATOM 1518 N GLU A 98 9.974 3.486 -2.901 1.00 0.00 N ATOM 1519 CA GLU A 98 10.600 2.516 -3.797 1.00 0.00 C ATOM 1520 C GLU A 98 9.786 1.227 -3.867 1.00 0.00 C ATOM 1521 O GLU A 98 9.167 0.814 -2.885 1.00 0.00 O ATOM 1522 CB GLU A 98 12.048 2.226 -3.360 1.00 0.00 C ATOM 1523 CG GLU A 98 12.248 0.877 -2.681 1.00 0.00 C ATOM 1524 CD GLU A 98 13.510 0.828 -1.840 1.00 0.00 C ATOM 1525 OE1 GLU A 98 14.038 1.907 -1.499 1.00 0.00 O ATOM 1526 OE2 GLU A 98 13.968 -0.289 -1.523 1.00 0.00 O ATOM 0 H GLU A 98 9.470 4.232 -3.380 1.00 0.00 H new ATOM 0 HA GLU A 98 10.625 2.950 -4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.695 2.276 -4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.372 3.012 -2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.386 0.661 -2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.291 0.095 -3.440 1.00 0.00 H new ATOM 1533 N PHE A 99 9.795 0.599 -5.036 1.00 0.00 N ATOM 1534 CA PHE A 99 9.062 -0.642 -5.248 1.00 0.00 C ATOM 1535 C PHE A 99 9.644 -1.769 -4.402 1.00 0.00 C ATOM 1536 O PHE A 99 10.863 -1.904 -4.282 1.00 0.00 O ATOM 1537 CB PHE A 99 9.098 -1.022 -6.729 1.00 0.00 C ATOM 1538 CG PHE A 99 7.806 -0.761 -7.452 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.057 0.373 -7.176 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.342 -1.647 -8.411 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.872 0.618 -7.841 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.155 -1.408 -9.080 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.420 -0.274 -8.795 1.00 0.00 C ATOM 0 H PHE A 99 10.304 0.931 -5.855 1.00 0.00 H new ATOM 0 HA PHE A 99 8.027 -0.487 -4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.897 -0.465 -7.219 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.346 -2.080 -6.818 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.405 1.074 -6.431 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.914 -2.534 -8.639 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.299 1.505 -7.616 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.804 -2.107 -9.824 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.494 -0.085 -9.317 1.00 0.00 H new ATOM 1553 N LEU A 100 8.767 -2.581 -3.821 1.00 0.00 N ATOM 1554 CA LEU A 100 9.189 -3.696 -2.993 1.00 0.00 C ATOM 1555 C LEU A 100 9.856 -4.772 -3.845 1.00 0.00 C ATOM 1556 O LEU A 100 9.390 -5.086 -4.940 1.00 0.00 O ATOM 1557 CB LEU A 100 7.982 -4.276 -2.252 1.00 0.00 C ATOM 1558 CG LEU A 100 8.320 -5.149 -1.046 1.00 0.00 C ATOM 1559 CD1 LEU A 100 9.057 -6.398 -1.492 1.00 0.00 C ATOM 1560 CD2 LEU A 100 9.146 -4.367 -0.036 1.00 0.00 C ATOM 0 H LEU A 100 7.756 -2.484 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 100 9.916 -3.338 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.350 -3.453 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.393 -4.866 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 100 7.391 -5.451 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.292 -7.012 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.428 -6.966 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.981 -6.115 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.377 -5.005 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.073 -4.035 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.580 -3.499 0.303 1.00 0.00 H new ATOM 1572 N GLU A 101 10.952 -5.329 -3.339 1.00 0.00 N ATOM 1573 CA GLU A 101 11.687 -6.366 -4.056 1.00 0.00 C ATOM 1574 C GLU A 101 10.753 -7.474 -4.537 1.00 0.00 C ATOM 1575 O GLU A 101 10.036 -8.085 -3.743 1.00 0.00 O ATOM 1576 CB GLU A 101 12.780 -6.955 -3.163 1.00 0.00 C ATOM 1577 CG GLU A 101 13.828 -5.941 -2.737 1.00 0.00 C ATOM 1578 CD GLU A 101 13.584 -5.400 -1.342 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.786 -4.448 -1.205 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.190 -5.927 -0.386 1.00 0.00 O ATOM 0 H GLU A 101 11.351 -5.079 -2.434 1.00 0.00 H new ATOM 0 HA GLU A 101 12.148 -5.906 -4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.319 -7.384 -2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.270 -7.771 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.814 -6.405 -2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.837 -5.114 -3.447 1.00 0.00 H new ATOM 1587 N LYS A 102 10.769 -7.728 -5.842 1.00 0.00 N ATOM 1588 CA LYS A 102 9.927 -8.759 -6.434 1.00 0.00 C ATOM 1589 C LYS A 102 10.184 -10.123 -5.793 1.00 0.00 C ATOM 1590 O LYS A 102 9.256 -10.767 -5.303 1.00 0.00 O ATOM 1591 CB LYS A 102 10.162 -8.837 -7.945 1.00 0.00 C ATOM 1592 CG LYS A 102 9.713 -7.592 -8.694 1.00 0.00 C ATOM 1593 CD LYS A 102 10.894 -6.849 -9.297 1.00 0.00 C ATOM 1594 CE LYS A 102 10.455 -5.927 -10.423 1.00 0.00 C ATOM 1595 NZ LYS A 102 9.816 -4.685 -9.906 1.00 0.00 N ATOM 0 H LYS A 102 11.358 -7.232 -6.510 1.00 0.00 H new ATOM 0 HA LYS A 102 8.888 -8.487 -6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.223 -9.001 -8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.631 -9.702 -8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.016 -7.873 -9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.175 -6.931 -8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.393 -6.267 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.622 -7.567 -9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.318 -5.664 -11.034 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.754 -6.453 -11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.174 -4.299 -10.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.277 -4.905 -9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.551 -3.983 -9.685 1.00 0.00 H new ATOM 1609 N PRO A 103 11.448 -10.591 -5.782 1.00 0.00 N ATOM 1610 CA PRO A 103 11.800 -11.887 -5.193 1.00 0.00 C ATOM 1611 C PRO A 103 11.424 -11.968 -3.718 1.00 0.00 C ATOM 1612 O PRO A 103 10.855 -11.030 -3.161 1.00 0.00 O ATOM 1613 CB PRO A 103 13.323 -11.974 -5.366 1.00 0.00 C ATOM 1614 CG PRO A 103 13.770 -10.577 -5.632 1.00 0.00 C ATOM 1615 CD PRO A 103 12.628 -9.905 -6.339 1.00 0.00 C ATOM 0 HA PRO A 103 11.265 -12.706 -5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.798 -12.375 -4.471 1.00 0.00 H new ATOM 0 HB3 PRO A 103 13.588 -12.635 -6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.012 -10.061 -4.703 1.00 0.00 H new ATOM 0 HG3 PRO A 103 14.670 -10.566 -6.246 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.604 -8.834 -6.140 1.00 0.00 H new ATOM 0 HD3 PRO A 103 12.694 -10.027 -7.420 1.00 0.00 H new ATOM 1623 N PHE A 104 11.744 -13.097 -3.092 1.00 0.00 N ATOM 1624 CA PHE A 104 11.438 -13.304 -1.680 1.00 0.00 C ATOM 1625 C PHE A 104 9.931 -13.267 -1.443 1.00 0.00 C ATOM 1626 O PHE A 104 9.202 -12.550 -2.127 1.00 0.00 O ATOM 1627 CB PHE A 104 12.129 -12.242 -0.822 1.00 0.00 C ATOM 1628 CG PHE A 104 13.609 -12.456 -0.679 1.00 0.00 C ATOM 1629 CD1 PHE A 104 14.100 -13.543 0.027 1.00 0.00 C ATOM 1630 CD2 PHE A 104 14.508 -11.569 -1.249 1.00 0.00 C ATOM 1631 CE1 PHE A 104 15.460 -13.742 0.161 1.00 0.00 C ATOM 1632 CE2 PHE A 104 15.871 -11.764 -1.118 1.00 0.00 C ATOM 1633 CZ PHE A 104 16.347 -12.852 -0.412 1.00 0.00 C ATOM 0 H PHE A 104 12.215 -13.883 -3.540 1.00 0.00 H new ATOM 0 HA PHE A 104 11.811 -14.287 -1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.953 -11.260 -1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.674 -12.234 0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 104 13.411 -14.242 0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 104 14.141 -10.717 -1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 104 15.830 -14.593 0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 104 16.562 -11.066 -1.567 1.00 0.00 H new ATOM 0 HZ PHE A 104 17.411 -13.006 -0.308 1.00 0.00 H new ATOM 1643 N SER A 105 9.470 -14.047 -0.470 1.00 0.00 N ATOM 1644 CA SER A 105 8.049 -14.104 -0.146 1.00 0.00 C ATOM 1645 C SER A 105 7.605 -12.837 0.577 1.00 0.00 C ATOM 1646 O SER A 105 8.429 -12.006 0.959 1.00 0.00 O ATOM 1647 CB SER A 105 7.751 -15.330 0.717 1.00 0.00 C ATOM 1648 OG SER A 105 6.384 -15.371 1.092 1.00 0.00 O ATOM 0 H SER A 105 10.059 -14.647 0.107 1.00 0.00 H new ATOM 0 HA SER A 105 7.491 -14.182 -1.079 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.008 -16.236 0.168 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.376 -15.310 1.610 1.00 0.00 H new ATOM 0 HG SER A 105 6.219 -16.165 1.642 1.00 0.00 H new ATOM 1654 N VAL A 106 6.295 -12.695 0.764 1.00 0.00 N ATOM 1655 CA VAL A 106 5.740 -11.528 1.442 1.00 0.00 C ATOM 1656 C VAL A 106 6.363 -11.348 2.824 1.00 0.00 C ATOM 1657 O VAL A 106 6.515 -10.226 3.301 1.00 0.00 O ATOM 1658 CB VAL A 106 4.206 -11.632 1.572 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.813 -12.857 2.383 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.629 -10.364 2.185 1.00 0.00 C ATOM 0 H VAL A 106 5.599 -13.374 0.455 1.00 0.00 H new ATOM 0 HA VAL A 106 5.979 -10.657 0.832 1.00 0.00 H new ATOM 0 HB VAL A 106 3.787 -11.744 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.727 -12.909 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.185 -13.755 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.245 -12.787 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.546 -10.460 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.056 -10.212 3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.871 -9.511 1.551 1.00 0.00 H new ATOM 1670 N GLU A 107 6.724 -12.458 3.468 1.00 0.00 N ATOM 1671 CA GLU A 107 7.334 -12.406 4.795 1.00 0.00 C ATOM 1672 C GLU A 107 8.415 -11.331 4.851 1.00 0.00 C ATOM 1673 O GLU A 107 8.578 -10.650 5.862 1.00 0.00 O ATOM 1674 CB GLU A 107 7.926 -13.765 5.159 1.00 0.00 C ATOM 1675 CG GLU A 107 8.135 -13.955 6.651 1.00 0.00 C ATOM 1676 CD GLU A 107 9.468 -14.600 6.976 1.00 0.00 C ATOM 1677 OE1 GLU A 107 10.501 -14.122 6.462 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.478 -15.584 7.746 1.00 0.00 O ATOM 0 H GLU A 107 6.605 -13.399 3.094 1.00 0.00 H new ATOM 0 HA GLU A 107 6.558 -12.153 5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.266 -14.550 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.881 -13.885 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.073 -12.987 7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.330 -14.572 7.051 1.00 0.00 H new ATOM 1685 N ARG A 108 9.139 -11.173 3.745 1.00 0.00 N ATOM 1686 CA ARG A 108 10.188 -10.166 3.657 1.00 0.00 C ATOM 1687 C ARG A 108 9.571 -8.775 3.694 1.00 0.00 C ATOM 1688 O ARG A 108 10.079 -7.870 4.355 1.00 0.00 O ATOM 1689 CB ARG A 108 10.998 -10.349 2.373 1.00 0.00 C ATOM 1690 CG ARG A 108 12.386 -9.732 2.434 1.00 0.00 C ATOM 1691 CD ARG A 108 13.445 -10.773 2.760 1.00 0.00 C ATOM 1692 NE ARG A 108 13.740 -10.823 4.191 1.00 0.00 N ATOM 1693 CZ ARG A 108 14.615 -11.663 4.738 1.00 0.00 C ATOM 1694 NH1 ARG A 108 15.284 -12.522 3.979 1.00 0.00 N ATOM 1695 NH2 ARG A 108 14.823 -11.643 6.048 1.00 0.00 N ATOM 0 H ARG A 108 9.017 -11.730 2.899 1.00 0.00 H new ATOM 0 HA ARG A 108 10.859 -10.282 4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.092 -11.414 2.162 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.449 -9.907 1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.619 -9.262 1.479 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.403 -8.946 3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.105 -11.753 2.425 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.358 -10.547 2.209 1.00 0.00 H new ATOM 0 HE ARG A 108 13.246 -10.176 4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.129 -12.540 2.971 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.954 -13.164 4.404 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.312 -10.984 6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.494 -12.287 6.468 1.00 0.00 H new ATOM 1709 N PHE A 109 8.452 -8.623 2.988 1.00 0.00 N ATOM 1710 CA PHE A 109 7.734 -7.356 2.943 1.00 0.00 C ATOM 1711 C PHE A 109 7.347 -6.919 4.357 1.00 0.00 C ATOM 1712 O PHE A 109 7.201 -5.728 4.633 1.00 0.00 O ATOM 1713 CB PHE A 109 6.484 -7.497 2.061 1.00 0.00 C ATOM 1714 CG PHE A 109 5.448 -6.430 2.286 1.00 0.00 C ATOM 1715 CD1 PHE A 109 5.667 -5.131 1.859 1.00 0.00 C ATOM 1716 CD2 PHE A 109 4.257 -6.730 2.929 1.00 0.00 C ATOM 1717 CE1 PHE A 109 4.717 -4.149 2.068 1.00 0.00 C ATOM 1718 CE2 PHE A 109 3.305 -5.753 3.142 1.00 0.00 C ATOM 1719 CZ PHE A 109 3.535 -4.460 2.712 1.00 0.00 C ATOM 0 H PHE A 109 8.023 -9.367 2.438 1.00 0.00 H new ATOM 0 HA PHE A 109 8.382 -6.593 2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.787 -7.478 1.014 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.032 -8.472 2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.590 -4.882 1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.072 -7.739 3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.898 -3.140 1.728 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.381 -5.999 3.644 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.792 -3.694 2.879 1.00 0.00 H new ATOM 1729 N LEU A 110 7.185 -7.896 5.243 1.00 0.00 N ATOM 1730 CA LEU A 110 6.818 -7.630 6.629 1.00 0.00 C ATOM 1731 C LEU A 110 7.861 -6.758 7.319 1.00 0.00 C ATOM 1732 O LEU A 110 7.526 -5.779 7.985 1.00 0.00 O ATOM 1733 CB LEU A 110 6.670 -8.941 7.388 1.00 0.00 C ATOM 1734 CG LEU A 110 5.521 -8.975 8.395 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.232 -10.405 8.818 1.00 0.00 C ATOM 1736 CD2 LEU A 110 5.847 -8.111 9.607 1.00 0.00 C ATOM 0 H LEU A 110 7.303 -8.885 5.024 1.00 0.00 H new ATOM 0 HA LEU A 110 5.868 -7.096 6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.527 -9.747 6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.602 -9.146 7.915 1.00 0.00 H new ATOM 0 HG LEU A 110 4.629 -8.570 7.918 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.411 -10.413 9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.956 -10.994 7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.121 -10.835 9.279 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.018 -8.147 10.313 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.750 -8.486 10.088 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.007 -7.081 9.287 1.00 0.00 H new ATOM 1748 N LEU A 111 9.125 -7.130 7.160 1.00 0.00 N ATOM 1749 CA LEU A 111 10.227 -6.395 7.773 1.00 0.00 C ATOM 1750 C LEU A 111 10.145 -4.908 7.449 1.00 0.00 C ATOM 1751 O LEU A 111 10.184 -4.065 8.346 1.00 0.00 O ATOM 1752 CB LEU A 111 11.568 -6.955 7.301 1.00 0.00 C ATOM 1753 CG LEU A 111 11.931 -8.329 7.867 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.253 -9.432 7.069 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.440 -8.520 7.870 1.00 0.00 C ATOM 0 H LEU A 111 9.414 -7.939 6.610 1.00 0.00 H new ATOM 0 HA LEU A 111 10.148 -6.516 8.853 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.555 -7.019 6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.354 -6.249 7.569 1.00 0.00 H new ATOM 0 HG LEU A 111 11.575 -8.384 8.896 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.523 -10.402 7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.172 -9.304 7.118 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.578 -9.381 6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.682 -9.502 8.276 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.818 -8.445 6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.903 -7.749 8.486 1.00 0.00 H new ATOM 1767 N THR A 112 10.037 -4.592 6.165 1.00 0.00 N ATOM 1768 CA THR A 112 9.954 -3.204 5.724 1.00 0.00 C ATOM 1769 C THR A 112 8.774 -2.489 6.376 1.00 0.00 C ATOM 1770 O THR A 112 8.908 -1.363 6.857 1.00 0.00 O ATOM 1771 CB THR A 112 9.825 -3.141 4.200 1.00 0.00 C ATOM 1772 OG1 THR A 112 10.925 -3.780 3.578 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.749 -1.729 3.663 1.00 0.00 C ATOM 0 H THR A 112 10.005 -5.277 5.410 1.00 0.00 H new ATOM 0 HA THR A 112 10.870 -2.698 6.028 1.00 0.00 H new ATOM 0 HB THR A 112 8.890 -3.650 3.968 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.824 -3.731 2.604 1.00 0.00 H new ATOM 0 HG21 THR A 112 9.659 -1.757 2.577 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.880 -1.225 4.086 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.653 -1.186 3.938 1.00 0.00 H new ATOM 1781 N ILE A 113 7.617 -3.147 6.382 1.00 0.00 N ATOM 1782 CA ILE A 113 6.406 -2.575 6.967 1.00 0.00 C ATOM 1783 C ILE A 113 6.684 -1.944 8.327 1.00 0.00 C ATOM 1784 O ILE A 113 6.410 -0.762 8.534 1.00 0.00 O ATOM 1785 CB ILE A 113 5.293 -3.640 7.105 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.488 -3.737 5.807 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.373 -3.324 8.281 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.777 -2.453 5.440 1.00 0.00 C ATOM 0 H ILE A 113 7.492 -4.079 5.987 1.00 0.00 H new ATOM 0 HA ILE A 113 6.065 -1.795 6.287 1.00 0.00 H new ATOM 0 HB ILE A 113 5.766 -4.603 7.298 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.157 -4.017 4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.752 -4.535 5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.600 -4.089 8.354 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.954 -3.306 9.203 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.907 -2.351 8.127 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.227 -2.595 4.510 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.082 -2.182 6.235 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.509 -1.656 5.311 1.00 0.00 H new ATOM 1800 N LYS A 114 7.234 -2.729 9.251 1.00 0.00 N ATOM 1801 CA LYS A 114 7.549 -2.222 10.578 1.00 0.00 C ATOM 1802 C LYS A 114 8.295 -0.909 10.444 1.00 0.00 C ATOM 1803 O LYS A 114 7.822 0.141 10.879 1.00 0.00 O ATOM 1804 CB LYS A 114 8.388 -3.234 11.353 1.00 0.00 C ATOM 1805 CG LYS A 114 8.356 -3.028 12.859 1.00 0.00 C ATOM 1806 CD LYS A 114 9.376 -1.992 13.307 1.00 0.00 C ATOM 1807 CE LYS A 114 10.798 -2.509 13.160 1.00 0.00 C ATOM 1808 NZ LYS A 114 11.281 -3.165 14.407 1.00 0.00 N ATOM 0 H LYS A 114 7.468 -3.711 9.104 1.00 0.00 H new ATOM 0 HA LYS A 114 6.624 -2.059 11.130 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.032 -4.239 11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.421 -3.176 11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.358 -2.711 13.162 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.555 -3.975 13.360 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.256 -1.083 12.718 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.191 -1.724 14.347 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.843 -3.220 12.335 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.461 -1.682 12.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.254 -3.504 14.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.263 -2.480 15.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.664 -3.970 14.637 1.00 0.00 H new ATOM 1822 N HIS A 115 9.466 -0.981 9.826 1.00 0.00 N ATOM 1823 CA HIS A 115 10.291 0.200 9.609 1.00 0.00 C ATOM 1824 C HIS A 115 9.471 1.333 8.997 1.00 0.00 C ATOM 1825 O HIS A 115 9.780 2.506 9.190 1.00 0.00 O ATOM 1826 CB HIS A 115 11.475 -0.138 8.701 1.00 0.00 C ATOM 1827 CG HIS A 115 12.205 -1.380 9.108 1.00 0.00 C ATOM 1828 ND1 HIS A 115 12.498 -1.685 10.421 1.00 0.00 N ATOM 1829 CD2 HIS A 115 12.706 -2.398 8.367 1.00 0.00 C ATOM 1830 CE1 HIS A 115 13.145 -2.836 10.471 1.00 0.00 C ATOM 1831 NE2 HIS A 115 13.284 -3.288 9.239 1.00 0.00 N ATOM 0 H HIS A 115 9.867 -1.847 9.465 1.00 0.00 H new ATOM 0 HA HIS A 115 10.668 0.531 10.577 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.116 -0.256 7.678 1.00 0.00 H new ATOM 0 HB3 HIS A 115 12.172 0.700 8.700 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.660 -2.492 7.292 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.500 -3.324 11.367 1.00 0.00 H new ATOM 0 HE2 HIS A 115 13.746 -4.158 8.976 1.00 0.00 H new ATOM 1840 N ALA A 116 8.417 0.976 8.263 1.00 0.00 N ATOM 1841 CA ALA A 116 7.558 1.975 7.640 1.00 0.00 C ATOM 1842 C ALA A 116 6.787 2.760 8.696 1.00 0.00 C ATOM 1843 O ALA A 116 6.446 3.926 8.494 1.00 0.00 O ATOM 1844 CB ALA A 116 6.599 1.312 6.664 1.00 0.00 C ATOM 0 H ALA A 116 8.141 0.010 8.088 1.00 0.00 H new ATOM 0 HA ALA A 116 8.188 2.674 7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.964 2.070 6.206 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.167 0.798 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.978 0.592 7.197 1.00 0.00 H new ATOM 1850 N PHE A 117 6.510 2.107 9.822 1.00 0.00 N ATOM 1851 CA PHE A 117 5.772 2.730 10.914 1.00 0.00 C ATOM 1852 C PHE A 117 6.703 3.435 11.899 1.00 0.00 C ATOM 1853 O PHE A 117 6.295 4.374 12.585 1.00 0.00 O ATOM 1854 CB PHE A 117 4.955 1.670 11.654 1.00 0.00 C ATOM 1855 CG PHE A 117 3.718 1.243 10.921 1.00 0.00 C ATOM 1856 CD1 PHE A 117 2.523 1.911 11.118 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.747 0.174 10.039 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.378 1.525 10.452 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.604 -0.218 9.369 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.417 0.460 9.577 1.00 0.00 C ATOM 0 H PHE A 117 6.788 1.142 10.001 1.00 0.00 H new ATOM 0 HA PHE A 117 5.110 3.480 10.482 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.583 0.796 11.829 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.671 2.060 12.632 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.486 2.746 11.802 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.672 -0.358 9.874 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.452 2.056 10.616 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.638 -1.052 8.684 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.522 0.156 9.055 1.00 0.00 H new ATOM 1870 N GLU A 118 7.947 2.972 11.983 1.00 0.00 N ATOM 1871 CA GLU A 118 8.917 3.557 12.907 1.00 0.00 C ATOM 1872 C GLU A 118 9.841 4.553 12.211 1.00 0.00 C ATOM 1873 O GLU A 118 10.158 5.606 12.765 1.00 0.00 O ATOM 1874 CB GLU A 118 9.747 2.456 13.565 1.00 0.00 C ATOM 1875 CG GLU A 118 8.948 1.568 14.504 1.00 0.00 C ATOM 1876 CD GLU A 118 9.264 1.828 15.963 1.00 0.00 C ATOM 1877 OE1 GLU A 118 10.453 2.031 16.285 1.00 0.00 O ATOM 1878 OE2 GLU A 118 8.323 1.828 16.785 1.00 0.00 O ATOM 0 H GLU A 118 8.307 2.197 11.426 1.00 0.00 H new ATOM 0 HA GLU A 118 8.356 4.099 13.668 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.195 1.837 12.788 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.566 2.913 14.120 1.00 0.00 H new ATOM 0 HG2 GLU A 118 7.884 1.729 14.332 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.154 0.523 14.272 1.00 0.00 H new ATOM 1885 N GLU A 119 10.285 4.212 11.006 1.00 0.00 N ATOM 1886 CA GLU A 119 11.187 5.078 10.254 1.00 0.00 C ATOM 1887 C GLU A 119 10.421 6.036 9.343 1.00 0.00 C ATOM 1888 O GLU A 119 10.941 6.473 8.315 1.00 0.00 O ATOM 1889 CB GLU A 119 12.156 4.237 9.421 1.00 0.00 C ATOM 1890 CG GLU A 119 12.945 3.228 10.241 1.00 0.00 C ATOM 1891 CD GLU A 119 14.312 2.940 9.650 1.00 0.00 C ATOM 1892 OE1 GLU A 119 15.129 3.881 9.561 1.00 0.00 O ATOM 1893 OE2 GLU A 119 14.564 1.775 9.279 1.00 0.00 O ATOM 0 H GLU A 119 10.036 3.345 10.530 1.00 0.00 H new ATOM 0 HA GLU A 119 11.747 5.673 10.975 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.595 3.708 8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.853 4.901 8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.064 3.604 11.257 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.379 2.299 10.309 1.00 0.00 H new ATOM 1900 N TYR A 120 9.190 6.365 9.722 1.00 0.00 N ATOM 1901 CA TYR A 120 8.372 7.275 8.932 1.00 0.00 C ATOM 1902 C TYR A 120 7.224 7.836 9.765 1.00 0.00 C ATOM 1903 O TYR A 120 6.107 8.000 9.273 1.00 0.00 O ATOM 1904 CB TYR A 120 7.823 6.555 7.702 1.00 0.00 C ATOM 1905 CG TYR A 120 7.791 7.417 6.460 1.00 0.00 C ATOM 1906 CD1 TYR A 120 7.250 8.697 6.493 1.00 0.00 C ATOM 1907 CD2 TYR A 120 8.303 6.952 5.255 1.00 0.00 C ATOM 1908 CE1 TYR A 120 7.219 9.488 5.359 1.00 0.00 C ATOM 1909 CE2 TYR A 120 8.277 7.737 4.118 1.00 0.00 C ATOM 1910 CZ TYR A 120 7.734 9.004 4.175 1.00 0.00 C ATOM 1911 OH TYR A 120 7.706 9.788 3.044 1.00 0.00 O ATOM 0 H TYR A 120 8.740 6.016 10.568 1.00 0.00 H new ATOM 0 HA TYR A 120 9.000 8.106 8.609 1.00 0.00 H new ATOM 0 HB2 TYR A 120 8.432 5.672 7.506 1.00 0.00 H new ATOM 0 HB3 TYR A 120 6.814 6.204 7.917 1.00 0.00 H new ATOM 0 HD1 TYR A 120 6.847 9.080 7.419 1.00 0.00 H new ATOM 0 HD2 TYR A 120 8.728 5.961 5.206 1.00 0.00 H new ATOM 0 HE1 TYR A 120 6.794 10.480 5.401 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.680 7.361 3.189 1.00 0.00 H new ATOM 0 HH TYR A 120 8.109 9.299 2.297 1.00 0.00 H new ATOM 1921 N SER A 121 7.507 8.132 11.029 1.00 0.00 N ATOM 1922 CA SER A 121 6.499 8.678 11.931 1.00 0.00 C ATOM 1923 C SER A 121 6.631 10.193 12.041 1.00 0.00 C ATOM 1924 O SER A 121 6.426 10.769 13.110 1.00 0.00 O ATOM 1925 CB SER A 121 6.626 8.040 13.316 1.00 0.00 C ATOM 1926 OG SER A 121 5.359 7.915 13.938 1.00 0.00 O ATOM 0 H SER A 121 8.426 8.003 11.452 1.00 0.00 H new ATOM 0 HA SER A 121 5.516 8.447 11.521 1.00 0.00 H new ATOM 0 HB2 SER A 121 7.089 7.057 13.226 1.00 0.00 H new ATOM 0 HB3 SER A 121 7.283 8.646 13.940 1.00 0.00 H new ATOM 0 HG SER A 121 5.467 7.503 14.821 1.00 0.00 H new TER 1932 SER A 121