USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 878 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 71 LYS NZ :NH3+ 167:sc= 1.17 (180deg=0) USER MOD Set 1.2: A 85 TYR OH : rot -130:sc= 0.635 USER MOD Set 2.1: A 37 SER OG : rot 160:sc= 0 USER MOD Set 2.2: A 45 THR OG1 : rot 77:sc= 1.13 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0198 (180deg=-0.162) USER MOD Single : A 2 THR OG1 : rot 180:sc=-0.00308 USER MOD Single : A 5 TYR OH : rot 172:sc= -0.671 USER MOD Single : A 6 LYS NZ :NH3+ -179:sc= -2.91 (180deg=-2.93) USER MOD Single : A 9 SER OG : rot 180:sc=-0.00114 USER MOD Single : A 17 LYS NZ :NH3+ 147:sc= -1.11 (180deg=-1.68!) USER MOD Single : A 19 GLN : amide:sc= 1.22 K(o=1.2,f=-0.68) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0154 USER MOD Single : A 35 HIS : no HE2:sc= 0.246 K(o=0.25,f=-3.7!) USER MOD Single : A 41 GLN : amide:sc= 1.04 K(o=1,f=-0.087) USER MOD Single : A 43 GLN :FLIP amide:sc= -1.03 F(o=-1.8!,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0.792 (180deg=0.751) USER MOD Single : A 53 GLN :FLIP amide:sc= -1.95 F(o=-2.5!,f=-1.9) USER MOD Single : A 55 ASN : amide:sc= -1.16! C(o=-1.2!,f=-6.6!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.6 K(o=0.6,f=-3.3!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.77) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.832 -2.999 15.618 1.00 0.00 N ATOM 2 CA MET A 1 9.054 -3.632 14.518 1.00 0.00 C ATOM 3 C MET A 1 9.305 -2.913 13.188 1.00 0.00 C ATOM 4 O MET A 1 9.422 -1.690 13.151 1.00 0.00 O ATOM 5 CB MET A 1 7.551 -3.609 14.837 1.00 0.00 C ATOM 6 CG MET A 1 7.172 -4.344 16.115 1.00 0.00 C ATOM 7 SD MET A 1 5.398 -4.284 16.433 1.00 0.00 S ATOM 8 CE MET A 1 5.302 -5.108 18.021 1.00 0.00 C ATOM 0 H1 MET A 1 9.796 -3.606 16.462 1.00 0.00 H new ATOM 0 H2 MET A 1 10.821 -2.879 15.319 1.00 0.00 H new ATOM 0 H3 MET A 1 9.423 -2.069 15.842 1.00 0.00 H new ATOM 0 HA MET A 1 9.386 -4.666 14.428 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.224 -2.572 14.917 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.007 -4.051 14.002 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.492 -5.384 16.043 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.706 -3.904 16.957 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.263 -5.147 18.348 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.692 -6.122 17.929 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.893 -4.557 18.753 1.00 0.00 H new ATOM 20 N THR A 2 9.395 -3.676 12.101 1.00 0.00 N ATOM 21 CA THR A 2 9.544 -3.093 10.762 1.00 0.00 C ATOM 22 C THR A 2 8.195 -2.592 10.226 1.00 0.00 C ATOM 23 O THR A 2 7.134 -3.073 10.632 1.00 0.00 O ATOM 24 CB THR A 2 10.144 -4.107 9.755 1.00 0.00 C ATOM 25 OG1 THR A 2 9.295 -5.259 9.643 1.00 0.00 O ATOM 26 CG2 THR A 2 11.540 -4.548 10.184 1.00 0.00 C ATOM 0 H THR A 2 9.368 -4.696 12.117 1.00 0.00 H new ATOM 0 HA THR A 2 10.231 -2.253 10.862 1.00 0.00 H new ATOM 0 HB THR A 2 10.216 -3.611 8.787 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.684 -5.891 9.003 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.936 -5.259 9.459 1.00 0.00 H new ATOM 0 HG22 THR A 2 12.196 -3.679 10.236 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.487 -5.021 11.164 1.00 0.00 H new ATOM 34 N LEU A 3 8.239 -1.619 9.322 1.00 0.00 N ATOM 35 CA LEU A 3 7.020 -1.010 8.775 1.00 0.00 C ATOM 36 C LEU A 3 6.845 -1.333 7.282 1.00 0.00 C ATOM 37 O LEU A 3 7.775 -1.179 6.486 1.00 0.00 O ATOM 38 CB LEU A 3 7.063 0.513 8.963 1.00 0.00 C ATOM 39 CG LEU A 3 7.244 1.004 10.410 1.00 0.00 C ATOM 40 CD1 LEU A 3 7.299 2.529 10.457 1.00 0.00 C ATOM 41 CD2 LEU A 3 6.129 0.475 11.308 1.00 0.00 C ATOM 0 H LEU A 3 9.105 -1.231 8.949 1.00 0.00 H new ATOM 0 HA LEU A 3 6.172 -1.428 9.317 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.878 0.912 8.359 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.139 0.935 8.569 1.00 0.00 H new ATOM 0 HG LEU A 3 8.191 0.615 10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.427 2.857 11.489 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.138 2.881 9.857 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.371 2.939 10.059 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.279 0.836 12.326 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.166 0.826 10.937 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.144 -0.615 11.304 1.00 0.00 H new ATOM 53 N ILE A 4 5.650 -1.783 6.911 1.00 0.00 N ATOM 54 CA ILE A 4 5.309 -2.008 5.503 1.00 0.00 C ATOM 55 C ILE A 4 4.382 -0.900 4.985 1.00 0.00 C ATOM 56 O ILE A 4 3.553 -0.370 5.729 1.00 0.00 O ATOM 57 CB ILE A 4 4.651 -3.393 5.278 1.00 0.00 C ATOM 58 CG1 ILE A 4 3.395 -3.553 6.155 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.660 -4.507 5.555 1.00 0.00 C ATOM 60 CD1 ILE A 4 2.702 -4.893 6.006 1.00 0.00 C ATOM 0 H ILE A 4 4.898 -2.001 7.565 1.00 0.00 H new ATOM 0 HA ILE A 4 6.243 -1.987 4.942 1.00 0.00 H new ATOM 0 HB ILE A 4 4.338 -3.464 4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.674 -3.415 7.199 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.688 -2.761 5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.186 -5.475 5.394 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.511 -4.403 4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.003 -4.439 6.587 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.828 -4.925 6.656 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.389 -5.028 4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.390 -5.691 6.284 1.00 0.00 H new ATOM 72 N TYR A 5 4.530 -0.547 3.711 1.00 0.00 N ATOM 73 CA TYR A 5 3.814 0.600 3.143 1.00 0.00 C ATOM 74 C TYR A 5 3.097 0.244 1.836 1.00 0.00 C ATOM 75 O TYR A 5 3.374 -0.781 1.215 1.00 0.00 O ATOM 76 CB TYR A 5 4.795 1.749 2.873 1.00 0.00 C ATOM 77 CG TYR A 5 5.667 2.117 4.060 1.00 0.00 C ATOM 78 CD1 TYR A 5 6.898 1.501 4.256 1.00 0.00 C ATOM 79 CD2 TYR A 5 5.264 3.078 4.980 1.00 0.00 C ATOM 80 CE1 TYR A 5 7.700 1.834 5.328 1.00 0.00 C ATOM 81 CE2 TYR A 5 6.063 3.415 6.056 1.00 0.00 C ATOM 82 CZ TYR A 5 7.278 2.788 6.225 1.00 0.00 C ATOM 83 OH TYR A 5 8.081 3.124 7.290 1.00 0.00 O ATOM 0 H TYR A 5 5.136 -1.035 3.051 1.00 0.00 H new ATOM 0 HA TYR A 5 3.063 0.902 3.873 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.437 1.474 2.036 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.230 2.629 2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.232 0.749 3.557 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.311 3.569 4.852 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.655 1.348 5.462 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.737 4.166 6.761 1.00 0.00 H new ATOM 0 HH TYR A 5 7.701 3.899 7.754 1.00 0.00 H new ATOM 93 N LYS A 6 2.173 1.110 1.431 1.00 0.00 N ATOM 94 CA LYS A 6 1.505 0.994 0.133 1.00 0.00 C ATOM 95 C LYS A 6 0.961 2.355 -0.324 1.00 0.00 C ATOM 96 O LYS A 6 -0.020 2.861 0.221 1.00 0.00 O ATOM 97 CB LYS A 6 0.371 -0.040 0.196 1.00 0.00 C ATOM 98 CG LYS A 6 -0.409 -0.178 -1.112 1.00 0.00 C ATOM 99 CD LYS A 6 -1.443 -1.300 -1.046 1.00 0.00 C ATOM 100 CE LYS A 6 -0.787 -2.677 -1.004 1.00 0.00 C ATOM 101 NZ LYS A 6 0.016 -2.953 -2.229 1.00 0.00 N ATOM 0 H LYS A 6 1.866 1.908 1.987 1.00 0.00 H new ATOM 0 HA LYS A 6 2.242 0.656 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.790 -1.010 0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.319 0.239 0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.910 0.764 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.285 -0.373 -1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.066 -1.168 -0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.102 -1.238 -1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.144 -2.745 -0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.556 -3.441 -0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.430 -3.905 -2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.598 -2.897 -3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.778 -2.249 -2.311 1.00 0.00 H new ATOM 115 N ILE A 7 1.619 2.951 -1.315 1.00 0.00 N ATOM 116 CA ILE A 7 1.196 4.241 -1.867 1.00 0.00 C ATOM 117 C ILE A 7 0.190 4.045 -3.014 1.00 0.00 C ATOM 118 O ILE A 7 0.372 3.182 -3.875 1.00 0.00 O ATOM 119 CB ILE A 7 2.413 5.064 -2.371 1.00 0.00 C ATOM 120 CG1 ILE A 7 3.451 5.219 -1.244 1.00 0.00 C ATOM 121 CG2 ILE A 7 1.966 6.435 -2.884 1.00 0.00 C ATOM 122 CD1 ILE A 7 4.710 5.956 -1.657 1.00 0.00 C ATOM 0 H ILE A 7 2.452 2.561 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 7 0.711 4.795 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 7 2.875 4.528 -3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.990 5.749 -0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.726 4.229 -0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.835 6.994 -3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.265 6.304 -3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.480 6.984 -2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.388 6.022 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.198 5.417 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.450 6.960 -1.993 1.00 0.00 H new ATOM 134 N LEU A 8 -0.873 4.845 -3.013 1.00 0.00 N ATOM 135 CA LEU A 8 -1.940 4.721 -4.012 1.00 0.00 C ATOM 136 C LEU A 8 -2.642 6.067 -4.249 1.00 0.00 C ATOM 137 O LEU A 8 -2.466 7.017 -3.484 1.00 0.00 O ATOM 138 CB LEU A 8 -2.971 3.659 -3.573 1.00 0.00 C ATOM 139 CG LEU A 8 -3.852 4.022 -2.351 1.00 0.00 C ATOM 140 CD1 LEU A 8 -4.903 2.941 -2.099 1.00 0.00 C ATOM 141 CD2 LEU A 8 -3.005 4.236 -1.095 1.00 0.00 C ATOM 0 H LEU A 8 -1.022 5.589 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.481 4.406 -4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.627 3.449 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.437 2.736 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.360 4.959 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.510 3.217 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.543 2.844 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.407 1.990 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.654 4.489 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.457 3.322 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.300 5.049 -1.266 1.00 0.00 H new ATOM 153 N SER A 9 -3.436 6.143 -5.314 1.00 0.00 N ATOM 154 CA SER A 9 -4.226 7.348 -5.603 1.00 0.00 C ATOM 155 C SER A 9 -5.441 7.446 -4.676 1.00 0.00 C ATOM 156 O SER A 9 -5.990 6.429 -4.242 1.00 0.00 O ATOM 157 CB SER A 9 -4.703 7.358 -7.062 1.00 0.00 C ATOM 158 OG SER A 9 -5.563 8.464 -7.311 1.00 0.00 O ATOM 0 H SER A 9 -3.553 5.390 -5.992 1.00 0.00 H new ATOM 0 HA SER A 9 -3.577 8.207 -5.433 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.842 7.405 -7.729 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.227 6.428 -7.283 1.00 0.00 H new ATOM 0 HG SER A 9 -5.852 8.449 -8.247 1.00 0.00 H new ATOM 164 N ARG A 10 -5.870 8.670 -4.391 1.00 0.00 N ATOM 165 CA ARG A 10 -7.022 8.901 -3.516 1.00 0.00 C ATOM 166 C ARG A 10 -8.268 8.177 -4.050 1.00 0.00 C ATOM 167 O ARG A 10 -9.080 7.660 -3.282 1.00 0.00 O ATOM 168 CB ARG A 10 -7.297 10.403 -3.387 1.00 0.00 C ATOM 169 CG ARG A 10 -8.280 10.757 -2.278 1.00 0.00 C ATOM 170 CD ARG A 10 -7.730 10.380 -0.907 1.00 0.00 C ATOM 171 NE ARG A 10 -8.710 10.563 0.155 1.00 0.00 N ATOM 172 CZ ARG A 10 -8.426 11.038 1.338 1.00 0.00 C ATOM 173 NH1 ARG A 10 -7.225 11.435 1.626 1.00 0.00 N ATOM 174 NH2 ARG A 10 -9.348 11.119 2.233 1.00 0.00 N ATOM 0 H ARG A 10 -5.439 9.521 -4.752 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.789 8.499 -2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.355 10.920 -3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.685 10.774 -4.335 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.492 11.826 -2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.224 10.240 -2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.405 9.340 -0.923 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.849 10.986 -0.693 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.678 10.304 -0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.487 11.378 0.924 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.019 11.804 2.554 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.297 10.813 2.017 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.130 11.489 3.158 1.00 0.00 H new ATOM 188 N ALA A 11 -8.393 8.129 -5.378 1.00 0.00 N ATOM 189 CA ALA A 11 -9.488 7.409 -6.035 1.00 0.00 C ATOM 190 C ALA A 11 -9.506 5.926 -5.630 1.00 0.00 C ATOM 191 O ALA A 11 -10.571 5.330 -5.448 1.00 0.00 O ATOM 192 CB ALA A 11 -9.360 7.544 -7.548 1.00 0.00 C ATOM 0 H ALA A 11 -7.746 8.583 -6.023 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.430 7.852 -5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.176 7.007 -8.032 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.405 8.597 -7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.408 7.124 -7.871 1.00 0.00 H new ATOM 198 N GLU A 12 -8.318 5.344 -5.479 1.00 0.00 N ATOM 199 CA GLU A 12 -8.179 3.940 -5.084 1.00 0.00 C ATOM 200 C GLU A 12 -8.460 3.756 -3.582 1.00 0.00 C ATOM 201 O GLU A 12 -9.094 2.782 -3.171 1.00 0.00 O ATOM 202 CB GLU A 12 -6.766 3.440 -5.436 1.00 0.00 C ATOM 203 CG GLU A 12 -6.424 3.574 -6.920 1.00 0.00 C ATOM 204 CD GLU A 12 -4.990 3.170 -7.244 1.00 0.00 C ATOM 205 OE1 GLU A 12 -4.745 1.974 -7.508 1.00 0.00 O ATOM 206 OE2 GLU A 12 -4.105 4.051 -7.253 1.00 0.00 O ATOM 0 H GLU A 12 -7.431 5.825 -5.625 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.914 3.350 -5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.035 3.999 -4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.676 2.394 -5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.109 2.957 -7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.583 4.606 -7.231 1.00 0.00 H new ATOM 213 N TRP A 13 -8.005 4.710 -2.766 1.00 0.00 N ATOM 214 CA TRP A 13 -8.188 4.642 -1.313 1.00 0.00 C ATOM 215 C TRP A 13 -9.665 4.824 -0.908 1.00 0.00 C ATOM 216 O TRP A 13 -10.198 4.046 -0.114 1.00 0.00 O ATOM 217 CB TRP A 13 -7.303 5.695 -0.630 1.00 0.00 C ATOM 218 CG TRP A 13 -7.376 5.688 0.871 1.00 0.00 C ATOM 219 CD1 TRP A 13 -7.471 6.780 1.681 1.00 0.00 C ATOM 220 CD2 TRP A 13 -7.362 4.545 1.740 1.00 0.00 C ATOM 221 NE1 TRP A 13 -7.510 6.391 2.999 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.445 5.025 3.060 1.00 0.00 C ATOM 223 CE3 TRP A 13 -7.286 3.163 1.532 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -7.454 4.175 4.163 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -7.296 2.321 2.628 1.00 0.00 C ATOM 226 CH2 TRP A 13 -7.380 2.830 3.929 1.00 0.00 C ATOM 0 H TRP A 13 -7.506 5.540 -3.087 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.888 3.648 -0.981 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.268 5.533 -0.932 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.590 6.683 -0.991 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.510 7.803 1.337 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.577 7.018 3.801 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -7.221 2.761 0.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.517 4.565 5.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -7.238 1.253 2.478 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.386 2.146 4.765 1.00 0.00 H new ATOM 237 N ASP A 14 -10.324 5.850 -1.449 1.00 0.00 N ATOM 238 CA ASP A 14 -11.756 6.059 -1.196 1.00 0.00 C ATOM 239 C ASP A 14 -12.598 4.875 -1.699 1.00 0.00 C ATOM 240 O ASP A 14 -13.580 4.484 -1.062 1.00 0.00 O ATOM 241 CB ASP A 14 -12.236 7.372 -1.828 1.00 0.00 C ATOM 242 CG ASP A 14 -11.864 8.579 -0.983 1.00 0.00 C ATOM 243 OD1 ASP A 14 -12.513 8.792 0.062 1.00 0.00 O ATOM 244 OD2 ASP A 14 -10.930 9.315 -1.349 1.00 0.00 O ATOM 0 H ASP A 14 -9.896 6.545 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.891 6.126 -0.117 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.800 7.477 -2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.318 7.339 -1.956 1.00 0.00 H new ATOM 249 N ALA A 15 -12.212 4.306 -2.837 1.00 0.00 N ATOM 250 CA ALA A 15 -12.863 3.094 -3.347 1.00 0.00 C ATOM 251 C ALA A 15 -12.740 1.947 -2.335 1.00 0.00 C ATOM 252 O ALA A 15 -13.712 1.246 -2.047 1.00 0.00 O ATOM 253 CB ALA A 15 -12.263 2.688 -4.687 1.00 0.00 C ATOM 0 H ALA A 15 -11.456 4.659 -3.424 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.921 3.311 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.758 1.787 -5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.403 3.494 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.198 2.492 -4.564 1.00 0.00 H new ATOM 259 N ALA A 16 -11.536 1.777 -1.790 1.00 0.00 N ATOM 260 CA ALA A 16 -11.281 0.772 -0.754 1.00 0.00 C ATOM 261 C ALA A 16 -12.186 0.980 0.469 1.00 0.00 C ATOM 262 O ALA A 16 -12.878 0.062 0.906 1.00 0.00 O ATOM 263 CB ALA A 16 -9.816 0.816 -0.337 1.00 0.00 C ATOM 0 H ALA A 16 -10.716 2.325 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.509 -0.208 -1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.634 0.066 0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.185 0.609 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.579 1.805 0.056 1.00 0.00 H new ATOM 269 N LYS A 17 -12.179 2.198 1.012 1.00 0.00 N ATOM 270 CA LYS A 17 -13.007 2.533 2.179 1.00 0.00 C ATOM 271 C LYS A 17 -14.507 2.379 1.874 1.00 0.00 C ATOM 272 O LYS A 17 -15.311 2.111 2.770 1.00 0.00 O ATOM 273 CB LYS A 17 -12.700 3.961 2.658 1.00 0.00 C ATOM 274 CG LYS A 17 -11.255 4.152 3.112 1.00 0.00 C ATOM 275 CD LYS A 17 -10.990 5.542 3.698 1.00 0.00 C ATOM 276 CE LYS A 17 -11.090 6.662 2.659 1.00 0.00 C ATOM 277 NZ LYS A 17 -12.495 7.061 2.373 1.00 0.00 N ATOM 0 H LYS A 17 -11.611 2.971 0.665 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.759 1.831 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.915 4.661 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.368 4.211 3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.012 3.397 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.589 3.988 2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.703 5.734 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.996 5.557 4.145 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.536 7.531 3.014 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.614 6.336 1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.530 8.078 2.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.850 6.522 1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.088 6.863 3.204 1.00 0.00 H new ATOM 291 N ALA A 18 -14.878 2.544 0.604 1.00 0.00 N ATOM 292 CA ALA A 18 -16.267 2.354 0.171 1.00 0.00 C ATOM 293 C ALA A 18 -16.692 0.878 0.278 1.00 0.00 C ATOM 294 O ALA A 18 -17.726 0.556 0.872 1.00 0.00 O ATOM 295 CB ALA A 18 -16.450 2.861 -1.256 1.00 0.00 C ATOM 0 H ALA A 18 -14.238 2.809 -0.145 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.908 2.933 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.485 2.714 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.206 3.922 -1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.790 2.309 -1.926 1.00 0.00 H new ATOM 301 N GLN A 19 -15.887 -0.018 -0.297 1.00 0.00 N ATOM 302 CA GLN A 19 -16.160 -1.462 -0.222 1.00 0.00 C ATOM 303 C GLN A 19 -15.547 -2.105 1.034 1.00 0.00 C ATOM 304 O GLN A 19 -15.625 -3.321 1.221 1.00 0.00 O ATOM 305 CB GLN A 19 -15.655 -2.181 -1.484 1.00 0.00 C ATOM 306 CG GLN A 19 -14.179 -1.958 -1.804 1.00 0.00 C ATOM 307 CD GLN A 19 -13.743 -2.676 -3.076 1.00 0.00 C ATOM 308 OE1 GLN A 19 -14.533 -2.872 -3.996 1.00 0.00 O ATOM 309 NE2 GLN A 19 -12.488 -3.071 -3.145 1.00 0.00 N ATOM 0 H GLN A 19 -15.044 0.225 -0.818 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.242 -1.576 -0.156 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.829 -3.251 -1.369 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.250 -1.851 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.991 -0.890 -1.911 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.573 -2.306 -0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.854 -2.895 -2.365 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.150 -3.553 -3.978 1.00 0.00 H new ATOM 318 N GLY A 20 -14.934 -1.289 1.889 1.00 0.00 N ATOM 319 CA GLY A 20 -14.381 -1.780 3.152 1.00 0.00 C ATOM 320 C GLY A 20 -13.095 -2.591 2.995 1.00 0.00 C ATOM 321 O GLY A 20 -12.504 -3.033 3.985 1.00 0.00 O ATOM 0 H GLY A 20 -14.807 -0.289 1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.185 -0.930 3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.129 -2.398 3.649 1.00 0.00 H new ATOM 325 N ARG A 21 -12.645 -2.773 1.755 1.00 0.00 N ATOM 326 CA ARG A 21 -11.438 -3.560 1.476 1.00 0.00 C ATOM 327 C ARG A 21 -10.706 -3.045 0.229 1.00 0.00 C ATOM 328 O ARG A 21 -11.325 -2.518 -0.692 1.00 0.00 O ATOM 329 CB ARG A 21 -11.811 -5.043 1.303 1.00 0.00 C ATOM 330 CG ARG A 21 -12.823 -5.308 0.187 1.00 0.00 C ATOM 331 CD ARG A 21 -13.311 -6.755 0.197 1.00 0.00 C ATOM 332 NE ARG A 21 -14.043 -7.075 1.423 1.00 0.00 N ATOM 333 CZ ARG A 21 -14.056 -8.250 1.993 1.00 0.00 C ATOM 334 NH1 ARG A 21 -13.395 -9.240 1.482 1.00 0.00 N ATOM 335 NH2 ARG A 21 -14.744 -8.428 3.072 1.00 0.00 N ATOM 0 H ARG A 21 -13.096 -2.388 0.925 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.760 -3.454 2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.904 -5.613 1.099 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -12.217 -5.416 2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.674 -4.636 0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.367 -5.085 -0.778 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.955 -6.927 -0.666 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.458 -7.427 0.097 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.581 -6.328 1.863 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.857 -9.106 0.626 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.412 -10.153 1.936 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.273 -7.653 3.473 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.759 -9.343 3.522 1.00 0.00 H new ATOM 349 N PHE A 22 -9.384 -3.191 0.211 1.00 0.00 N ATOM 350 CA PHE A 22 -8.574 -2.762 -0.932 1.00 0.00 C ATOM 351 C PHE A 22 -7.987 -3.958 -1.699 1.00 0.00 C ATOM 352 O PHE A 22 -7.430 -4.892 -1.110 1.00 0.00 O ATOM 353 CB PHE A 22 -7.437 -1.836 -0.478 1.00 0.00 C ATOM 354 CG PHE A 22 -6.590 -1.335 -1.627 1.00 0.00 C ATOM 355 CD1 PHE A 22 -7.114 -0.446 -2.558 1.00 0.00 C ATOM 356 CD2 PHE A 22 -5.275 -1.756 -1.779 1.00 0.00 C ATOM 357 CE1 PHE A 22 -6.348 0.009 -3.614 1.00 0.00 C ATOM 358 CE2 PHE A 22 -4.504 -1.300 -2.834 1.00 0.00 C ATOM 359 CZ PHE A 22 -5.041 -0.417 -3.751 1.00 0.00 C ATOM 0 H PHE A 22 -8.848 -3.603 0.974 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.237 -2.217 -1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.860 -0.983 0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.802 -2.369 0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.134 -0.106 -2.455 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.850 -2.447 -1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.770 0.697 -4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.483 -1.634 -2.940 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.440 -0.060 -4.574 1.00 0.00 H new ATOM 369 N GLU A 23 -8.120 -3.913 -3.019 1.00 0.00 N ATOM 370 CA GLU A 23 -7.527 -4.915 -3.906 1.00 0.00 C ATOM 371 C GLU A 23 -6.318 -4.318 -4.643 1.00 0.00 C ATOM 372 O GLU A 23 -6.407 -3.228 -5.209 1.00 0.00 O ATOM 373 CB GLU A 23 -8.590 -5.411 -4.897 1.00 0.00 C ATOM 374 CG GLU A 23 -9.792 -6.056 -4.210 1.00 0.00 C ATOM 375 CD GLU A 23 -10.957 -6.314 -5.152 1.00 0.00 C ATOM 376 OE1 GLU A 23 -10.972 -7.368 -5.822 1.00 0.00 O ATOM 377 OE2 GLU A 23 -11.875 -5.470 -5.213 1.00 0.00 O ATOM 0 H GLU A 23 -8.640 -3.184 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.176 -5.764 -3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.932 -4.573 -5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.137 -6.133 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.482 -6.999 -3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.127 -5.411 -3.398 1.00 0.00 H new ATOM 384 N GLY A 24 -5.195 -5.039 -4.619 1.00 0.00 N ATOM 385 CA GLY A 24 -3.931 -4.522 -5.153 1.00 0.00 C ATOM 386 C GLY A 24 -4.040 -3.889 -6.539 1.00 0.00 C ATOM 387 O GLY A 24 -3.933 -2.671 -6.681 1.00 0.00 O ATOM 0 H GLY A 24 -5.134 -5.982 -4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.534 -3.781 -4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.209 -5.337 -5.196 1.00 0.00 H new ATOM 391 N SER A 25 -4.247 -4.721 -7.553 1.00 0.00 N ATOM 392 CA SER A 25 -4.348 -4.265 -8.947 1.00 0.00 C ATOM 393 C SER A 25 -4.572 -5.459 -9.877 1.00 0.00 C ATOM 394 O SER A 25 -4.262 -6.596 -9.517 1.00 0.00 O ATOM 395 CB SER A 25 -3.073 -3.516 -9.375 1.00 0.00 C ATOM 396 OG SER A 25 -3.166 -3.054 -10.713 1.00 0.00 O ATOM 0 H SER A 25 -4.350 -5.729 -7.440 1.00 0.00 H new ATOM 0 HA SER A 25 -5.195 -3.583 -9.017 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.905 -2.671 -8.708 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.211 -4.176 -9.276 1.00 0.00 H new ATOM 0 HG SER A 25 -2.342 -2.581 -10.954 1.00 0.00 H new ATOM 402 N ALA A 26 -5.095 -5.208 -11.073 1.00 0.00 N ATOM 403 CA ALA A 26 -5.330 -6.280 -12.046 1.00 0.00 C ATOM 404 C ALA A 26 -4.040 -7.063 -12.336 1.00 0.00 C ATOM 405 O ALA A 26 -3.996 -8.283 -12.178 1.00 0.00 O ATOM 406 CB ALA A 26 -5.912 -5.707 -13.333 1.00 0.00 C ATOM 0 H ALA A 26 -5.364 -4.278 -11.395 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.050 -6.976 -11.615 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.081 -6.514 -14.046 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.858 -5.210 -13.115 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.214 -4.987 -13.759 1.00 0.00 H new ATOM 412 N VAL A 27 -2.988 -6.350 -12.745 1.00 0.00 N ATOM 413 CA VAL A 27 -1.678 -6.969 -12.999 1.00 0.00 C ATOM 414 C VAL A 27 -1.075 -7.582 -11.717 1.00 0.00 C ATOM 415 O VAL A 27 -0.396 -8.609 -11.767 1.00 0.00 O ATOM 416 CB VAL A 27 -0.677 -5.946 -13.605 1.00 0.00 C ATOM 417 CG1 VAL A 27 -0.411 -4.790 -12.640 1.00 0.00 C ATOM 418 CG2 VAL A 27 0.629 -6.637 -14.003 1.00 0.00 C ATOM 0 H VAL A 27 -3.014 -5.344 -12.908 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.847 -7.770 -13.719 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.130 -5.528 -14.504 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.293 -4.092 -13.093 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.346 -4.273 -12.425 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.010 -5.179 -11.713 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.315 -5.903 -14.425 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.082 -7.093 -13.123 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.421 -7.408 -14.745 1.00 0.00 H new ATOM 428 N ASP A 28 -1.348 -6.955 -10.573 1.00 0.00 N ATOM 429 CA ASP A 28 -0.838 -7.424 -9.278 1.00 0.00 C ATOM 430 C ASP A 28 -1.378 -8.830 -8.964 1.00 0.00 C ATOM 431 O ASP A 28 -0.615 -9.787 -8.797 1.00 0.00 O ATOM 432 CB ASP A 28 -1.243 -6.427 -8.176 1.00 0.00 C ATOM 433 CG ASP A 28 -0.377 -6.512 -6.932 1.00 0.00 C ATOM 434 OD1 ASP A 28 0.428 -7.457 -6.817 1.00 0.00 O ATOM 435 OD2 ASP A 28 -0.481 -5.612 -6.069 1.00 0.00 O ATOM 0 H ASP A 28 -1.923 -6.115 -10.514 1.00 0.00 H new ATOM 0 HA ASP A 28 0.250 -7.484 -9.321 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.191 -5.415 -8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.282 -6.607 -7.899 1.00 0.00 H new ATOM 440 N LEU A 29 -2.703 -8.951 -8.919 1.00 0.00 N ATOM 441 CA LEU A 29 -3.358 -10.243 -8.687 1.00 0.00 C ATOM 442 C LEU A 29 -3.068 -11.231 -9.832 1.00 0.00 C ATOM 443 O LEU A 29 -2.945 -12.435 -9.608 1.00 0.00 O ATOM 444 CB LEU A 29 -4.878 -10.054 -8.512 1.00 0.00 C ATOM 445 CG LEU A 29 -5.341 -9.568 -7.123 1.00 0.00 C ATOM 446 CD1 LEU A 29 -4.920 -10.556 -6.037 1.00 0.00 C ATOM 447 CD2 LEU A 29 -4.804 -8.169 -6.816 1.00 0.00 C ATOM 0 H LEU A 29 -3.348 -8.170 -9.040 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.949 -10.664 -7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.224 -9.340 -9.259 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.370 -11.003 -8.726 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.430 -9.512 -7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.256 -10.194 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.368 -11.529 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.834 -10.651 -6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.148 -7.855 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.714 -8.186 -6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.167 -7.467 -7.567 1.00 0.00 H new ATOM 459 N ALA A 30 -2.947 -10.712 -11.052 1.00 0.00 N ATOM 460 CA ALA A 30 -2.643 -11.543 -12.224 1.00 0.00 C ATOM 461 C ALA A 30 -1.254 -12.201 -12.122 1.00 0.00 C ATOM 462 O ALA A 30 -1.072 -13.354 -12.528 1.00 0.00 O ATOM 463 CB ALA A 30 -2.742 -10.713 -13.500 1.00 0.00 C ATOM 0 H ALA A 30 -3.054 -9.719 -11.259 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.382 -12.344 -12.257 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.514 -11.341 -14.361 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.752 -10.315 -13.598 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.030 -9.889 -13.454 1.00 0.00 H new ATOM 469 N ASP A 31 -0.275 -11.471 -11.582 1.00 0.00 N ATOM 470 CA ASP A 31 1.082 -12.005 -11.422 1.00 0.00 C ATOM 471 C ASP A 31 1.146 -12.985 -10.241 1.00 0.00 C ATOM 472 O ASP A 31 1.883 -13.971 -10.280 1.00 0.00 O ATOM 473 CB ASP A 31 2.092 -10.866 -11.227 1.00 0.00 C ATOM 474 CG ASP A 31 3.533 -11.347 -11.327 1.00 0.00 C ATOM 475 OD1 ASP A 31 4.072 -11.390 -12.455 1.00 0.00 O ATOM 476 OD2 ASP A 31 4.134 -11.688 -10.282 1.00 0.00 O ATOM 0 H ASP A 31 -0.394 -10.514 -11.250 1.00 0.00 H new ATOM 0 HA ASP A 31 1.342 -12.546 -12.332 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.916 -10.095 -11.977 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.932 -10.405 -10.252 1.00 0.00 H new ATOM 481 N GLY A 32 0.369 -12.713 -9.193 1.00 0.00 N ATOM 482 CA GLY A 32 0.325 -13.625 -8.059 1.00 0.00 C ATOM 483 C GLY A 32 -0.307 -13.040 -6.798 1.00 0.00 C ATOM 484 O GLY A 32 -1.398 -13.452 -6.393 1.00 0.00 O ATOM 0 H GLY A 32 -0.224 -11.888 -9.108 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.231 -14.517 -8.348 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.341 -13.944 -7.826 1.00 0.00 H new ATOM 488 N PHE A 33 0.370 -12.075 -6.173 1.00 0.00 N ATOM 489 CA PHE A 33 -0.002 -11.628 -4.817 1.00 0.00 C ATOM 490 C PHE A 33 0.239 -10.122 -4.628 1.00 0.00 C ATOM 491 O PHE A 33 1.248 -9.589 -5.088 1.00 0.00 O ATOM 492 CB PHE A 33 0.800 -12.414 -3.764 1.00 0.00 C ATOM 493 CG PHE A 33 0.723 -13.914 -3.935 1.00 0.00 C ATOM 494 CD1 PHE A 33 -0.435 -14.606 -3.610 1.00 0.00 C ATOM 495 CD2 PHE A 33 1.805 -14.628 -4.440 1.00 0.00 C ATOM 496 CE1 PHE A 33 -0.512 -15.977 -3.782 1.00 0.00 C ATOM 497 CE2 PHE A 33 1.731 -15.997 -4.616 1.00 0.00 C ATOM 498 CZ PHE A 33 0.572 -16.673 -4.285 1.00 0.00 C ATOM 0 H PHE A 33 1.172 -11.588 -6.574 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.067 -11.819 -4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.844 -12.105 -3.811 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.434 -12.151 -2.771 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.286 -14.069 -3.218 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.715 -14.106 -4.698 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.419 -16.503 -3.523 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.578 -16.538 -5.012 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.513 -17.743 -4.419 1.00 0.00 H new ATOM 508 N ILE A 34 -0.669 -9.462 -3.905 1.00 0.00 N ATOM 509 CA ILE A 34 -0.642 -8.000 -3.740 1.00 0.00 C ATOM 510 C ILE A 34 0.738 -7.475 -3.286 1.00 0.00 C ATOM 511 O ILE A 34 1.131 -7.651 -2.134 1.00 0.00 O ATOM 512 CB ILE A 34 -1.715 -7.536 -2.719 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.115 -8.016 -3.146 1.00 0.00 C ATOM 514 CG2 ILE A 34 -1.692 -6.015 -2.561 1.00 0.00 C ATOM 515 CD1 ILE A 34 -4.217 -7.649 -2.169 1.00 0.00 C ATOM 0 H ILE A 34 -1.440 -9.919 -3.419 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.857 -7.584 -4.724 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.480 -7.982 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.352 -7.591 -4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.096 -9.099 -3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.452 -5.712 -1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.710 -5.701 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.897 -5.546 -3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.172 -8.022 -2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.006 -8.096 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.266 -6.565 -2.066 1.00 0.00 H new ATOM 527 N HIS A 35 1.467 -6.826 -4.195 1.00 0.00 N ATOM 528 CA HIS A 35 2.770 -6.238 -3.859 1.00 0.00 C ATOM 529 C HIS A 35 2.610 -4.878 -3.155 1.00 0.00 C ATOM 530 O HIS A 35 1.896 -3.992 -3.629 1.00 0.00 O ATOM 531 CB HIS A 35 3.663 -6.109 -5.112 1.00 0.00 C ATOM 532 CG HIS A 35 3.024 -5.430 -6.294 1.00 0.00 C ATOM 533 ND1 HIS A 35 2.417 -4.193 -6.227 1.00 0.00 N ATOM 534 CD2 HIS A 35 2.919 -5.820 -7.591 1.00 0.00 C ATOM 535 CE1 HIS A 35 1.969 -3.856 -7.420 1.00 0.00 C ATOM 536 NE2 HIS A 35 2.260 -4.821 -8.263 1.00 0.00 N ATOM 0 H HIS A 35 1.182 -6.693 -5.165 1.00 0.00 H new ATOM 0 HA HIS A 35 3.264 -6.915 -3.162 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.563 -5.557 -4.841 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.980 -7.107 -5.415 1.00 0.00 H new ATOM 0 HD1 HIS A 35 2.328 -3.626 -5.384 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.286 -6.744 -8.014 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.450 -2.941 -7.664 1.00 0.00 H new ATOM 545 N LEU A 36 3.258 -4.727 -2.001 1.00 0.00 N ATOM 546 CA LEU A 36 3.182 -3.484 -1.220 1.00 0.00 C ATOM 547 C LEU A 36 4.299 -2.497 -1.588 1.00 0.00 C ATOM 548 O LEU A 36 4.038 -1.313 -1.796 1.00 0.00 O ATOM 549 CB LEU A 36 3.229 -3.786 0.289 1.00 0.00 C ATOM 550 CG LEU A 36 1.972 -4.452 0.881 1.00 0.00 C ATOM 551 CD1 LEU A 36 1.788 -5.878 0.361 1.00 0.00 C ATOM 552 CD2 LEU A 36 2.025 -4.437 2.405 1.00 0.00 C ATOM 0 H LEU A 36 3.844 -5.449 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 36 2.229 -3.015 -1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.085 -4.432 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.407 -2.852 0.822 1.00 0.00 H new ATOM 0 HG LEU A 36 1.108 -3.872 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.891 -6.313 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.687 -5.859 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.655 -6.480 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.129 -4.912 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.906 -4.982 2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.078 -3.407 2.757 1.00 0.00 H new ATOM 564 N SER A 37 5.528 -3.006 -1.678 1.00 0.00 N ATOM 565 CA SER A 37 6.727 -2.170 -1.895 1.00 0.00 C ATOM 566 C SER A 37 6.993 -1.263 -0.681 1.00 0.00 C ATOM 567 O SER A 37 6.402 -0.195 -0.544 1.00 0.00 O ATOM 568 CB SER A 37 6.605 -1.323 -3.176 1.00 0.00 C ATOM 569 OG SER A 37 6.469 -2.142 -4.330 1.00 0.00 O ATOM 0 H SER A 37 5.729 -4.003 -1.604 1.00 0.00 H new ATOM 0 HA SER A 37 7.573 -2.846 -2.018 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.743 -0.660 -3.095 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.486 -0.689 -3.280 1.00 0.00 H new ATOM 0 HG SER A 37 6.081 -1.616 -5.060 1.00 0.00 H new ATOM 575 N ALA A 38 7.890 -1.701 0.204 1.00 0.00 N ATOM 576 CA ALA A 38 8.156 -0.982 1.458 1.00 0.00 C ATOM 577 C ALA A 38 9.506 -0.243 1.445 1.00 0.00 C ATOM 578 O ALA A 38 10.421 -0.596 0.694 1.00 0.00 O ATOM 579 CB ALA A 38 8.101 -1.958 2.630 1.00 0.00 C ATOM 0 H ALA A 38 8.445 -2.548 0.079 1.00 0.00 H new ATOM 0 HA ALA A 38 7.382 -0.222 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.299 -1.423 3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.112 -2.414 2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.853 -2.735 2.492 1.00 0.00 H new ATOM 585 N GLY A 39 9.606 0.796 2.278 1.00 0.00 N ATOM 586 CA GLY A 39 10.860 1.525 2.455 1.00 0.00 C ATOM 587 C GLY A 39 11.422 2.114 1.163 1.00 0.00 C ATOM 588 O GLY A 39 10.770 2.920 0.495 1.00 0.00 O ATOM 0 H GLY A 39 8.832 1.150 2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.702 2.331 3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.601 0.854 2.889 1.00 0.00 H new ATOM 592 N GLU A 40 12.630 1.690 0.804 1.00 0.00 N ATOM 593 CA GLU A 40 13.313 2.189 -0.398 1.00 0.00 C ATOM 594 C GLU A 40 12.486 1.898 -1.663 1.00 0.00 C ATOM 595 O GLU A 40 12.380 2.735 -2.561 1.00 0.00 O ATOM 596 CB GLU A 40 14.711 1.555 -0.530 1.00 0.00 C ATOM 597 CG GLU A 40 15.670 1.879 0.620 1.00 0.00 C ATOM 598 CD GLU A 40 15.252 1.255 1.945 1.00 0.00 C ATOM 599 OE1 GLU A 40 15.276 0.008 2.057 1.00 0.00 O ATOM 600 OE2 GLU A 40 14.895 2.002 2.880 1.00 0.00 O ATOM 0 H GLU A 40 13.164 0.997 1.329 1.00 0.00 H new ATOM 0 HA GLU A 40 13.422 3.269 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.600 0.473 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.160 1.889 -1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 40 16.669 1.529 0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 40 15.732 2.961 0.739 1.00 0.00 H new ATOM 607 N GLN A 41 11.883 0.712 -1.710 1.00 0.00 N ATOM 608 CA GLN A 41 11.048 0.309 -2.846 1.00 0.00 C ATOM 609 C GLN A 41 9.769 1.157 -2.922 1.00 0.00 C ATOM 610 O GLN A 41 9.231 1.388 -4.004 1.00 0.00 O ATOM 611 CB GLN A 41 10.705 -1.186 -2.747 1.00 0.00 C ATOM 612 CG GLN A 41 11.931 -2.095 -2.787 1.00 0.00 C ATOM 613 CD GLN A 41 11.575 -3.571 -2.713 1.00 0.00 C ATOM 614 OE1 GLN A 41 11.349 -4.216 -3.726 1.00 0.00 O ATOM 615 NE2 GLN A 41 11.527 -4.120 -1.515 1.00 0.00 N ATOM 0 H GLN A 41 11.956 0.010 -0.974 1.00 0.00 H new ATOM 0 HA GLN A 41 11.612 0.478 -3.763 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.160 -1.365 -1.820 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.038 -1.453 -3.566 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.487 -1.906 -3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.591 -1.843 -1.957 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.721 -3.556 -0.687 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.296 -5.109 -1.416 1.00 0.00 H new ATOM 624 N ALA A 42 9.298 1.632 -1.768 1.00 0.00 N ATOM 625 CA ALA A 42 8.132 2.526 -1.715 1.00 0.00 C ATOM 626 C ALA A 42 8.454 3.885 -2.355 1.00 0.00 C ATOM 627 O ALA A 42 7.721 4.373 -3.218 1.00 0.00 O ATOM 628 CB ALA A 42 7.668 2.711 -0.272 1.00 0.00 C ATOM 0 H ALA A 42 9.703 1.415 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 42 7.324 2.066 -2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.804 3.375 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.393 1.744 0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.475 3.146 0.317 1.00 0.00 H new ATOM 634 N GLN A 43 9.563 4.488 -1.924 1.00 0.00 N ATOM 635 CA GLN A 43 10.051 5.743 -2.510 1.00 0.00 C ATOM 636 C GLN A 43 10.291 5.596 -4.021 1.00 0.00 C ATOM 637 O GLN A 43 9.855 6.433 -4.816 1.00 0.00 O ATOM 638 CB GLN A 43 11.348 6.182 -1.803 1.00 0.00 C ATOM 639 CG GLN A 43 12.125 7.297 -2.513 1.00 0.00 C ATOM 640 CD GLN A 43 11.338 8.589 -2.694 1.00 0.00 C ATOM 641 OE1 GLN A 43 10.450 8.894 -1.770 1.00 0.00 O flip ATOM 642 NE2 GLN A 43 11.543 9.319 -3.655 1.00 0.00 N flip ATOM 0 H GLN A 43 10.145 4.127 -1.168 1.00 0.00 H new ATOM 0 HA GLN A 43 9.287 6.507 -2.366 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.100 6.517 -0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.000 5.314 -1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.030 7.513 -1.945 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.441 6.937 -3.492 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.237 9.057 -4.355 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.020 10.189 -3.755 1.00 0.00 H new ATOM 651 N GLU A 44 10.974 4.522 -4.412 1.00 0.00 N ATOM 652 CA GLU A 44 11.274 4.279 -5.823 1.00 0.00 C ATOM 653 C GLU A 44 9.984 4.125 -6.651 1.00 0.00 C ATOM 654 O GLU A 44 9.829 4.758 -7.695 1.00 0.00 O ATOM 655 CB GLU A 44 12.163 3.039 -5.980 1.00 0.00 C ATOM 656 CG GLU A 44 12.732 2.873 -7.386 1.00 0.00 C ATOM 657 CD GLU A 44 13.586 1.625 -7.538 1.00 0.00 C ATOM 658 OE1 GLU A 44 14.674 1.564 -6.927 1.00 0.00 O ATOM 659 OE2 GLU A 44 13.177 0.704 -8.274 1.00 0.00 O ATOM 0 H GLU A 44 11.329 3.809 -3.775 1.00 0.00 H new ATOM 0 HA GLU A 44 11.815 5.146 -6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.986 3.099 -5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.584 2.152 -5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.911 2.834 -8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.331 3.749 -7.635 1.00 0.00 H new ATOM 666 N THR A 45 9.048 3.297 -6.172 1.00 0.00 N ATOM 667 CA THR A 45 7.755 3.110 -6.861 1.00 0.00 C ATOM 668 C THR A 45 6.979 4.428 -6.948 1.00 0.00 C ATOM 669 O THR A 45 6.322 4.712 -7.952 1.00 0.00 O ATOM 670 CB THR A 45 6.858 2.055 -6.168 1.00 0.00 C ATOM 671 OG1 THR A 45 7.541 0.795 -6.097 1.00 0.00 O ATOM 672 CG2 THR A 45 5.539 1.874 -6.920 1.00 0.00 C ATOM 0 H THR A 45 9.155 2.748 -5.319 1.00 0.00 H new ATOM 0 HA THR A 45 8.001 2.753 -7.861 1.00 0.00 H new ATOM 0 HB THR A 45 6.640 2.412 -5.161 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.208 0.824 -5.379 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.929 1.127 -6.411 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.003 2.823 -6.948 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.743 1.543 -7.938 1.00 0.00 H new ATOM 680 N ALA A 46 7.059 5.231 -5.889 1.00 0.00 N ATOM 681 CA ALA A 46 6.449 6.560 -5.880 1.00 0.00 C ATOM 682 C ALA A 46 7.009 7.422 -7.017 1.00 0.00 C ATOM 683 O ALA A 46 6.272 8.150 -7.677 1.00 0.00 O ATOM 684 CB ALA A 46 6.672 7.241 -4.533 1.00 0.00 C ATOM 0 H ALA A 46 7.541 4.984 -5.025 1.00 0.00 H new ATOM 0 HA ALA A 46 5.376 6.445 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.212 8.229 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.222 6.640 -3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.742 7.341 -4.349 1.00 0.00 H new ATOM 690 N ALA A 47 8.320 7.325 -7.242 1.00 0.00 N ATOM 691 CA ALA A 47 8.981 8.053 -8.334 1.00 0.00 C ATOM 692 C ALA A 47 8.635 7.463 -9.714 1.00 0.00 C ATOM 693 O ALA A 47 8.704 8.158 -10.729 1.00 0.00 O ATOM 694 CB ALA A 47 10.493 8.058 -8.125 1.00 0.00 C ATOM 0 H ALA A 47 8.949 6.749 -6.683 1.00 0.00 H new ATOM 0 HA ALA A 47 8.611 9.078 -8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 47 10.971 8.600 -8.941 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.728 8.545 -7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.861 7.032 -8.106 1.00 0.00 H new ATOM 700 N LYS A 48 8.286 6.177 -9.749 1.00 0.00 N ATOM 701 CA LYS A 48 7.876 5.517 -10.985 1.00 0.00 C ATOM 702 C LYS A 48 6.456 5.930 -11.405 1.00 0.00 C ATOM 703 O LYS A 48 6.260 6.639 -12.392 1.00 0.00 O ATOM 704 CB LYS A 48 7.897 3.995 -10.803 1.00 0.00 C ATOM 705 CG LYS A 48 9.246 3.400 -10.422 1.00 0.00 C ATOM 706 CD LYS A 48 9.165 1.879 -10.284 1.00 0.00 C ATOM 707 CE LYS A 48 10.426 1.290 -9.662 1.00 0.00 C ATOM 708 NZ LYS A 48 11.643 1.551 -10.476 1.00 0.00 N ATOM 0 H LYS A 48 8.280 5.570 -8.929 1.00 0.00 H new ATOM 0 HA LYS A 48 8.580 5.821 -11.759 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.172 3.728 -10.035 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.564 3.531 -11.731 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.987 3.659 -11.178 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.585 3.835 -9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.303 1.617 -9.671 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.005 1.435 -11.266 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.564 1.708 -8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.298 0.214 -9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.481 1.204 -9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.563 1.058 -11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.737 2.573 -10.642 1.00 0.00 H new ATOM 722 N TRP A 49 5.473 5.480 -10.625 1.00 0.00 N ATOM 723 CA TRP A 49 4.058 5.609 -10.984 1.00 0.00 C ATOM 724 C TRP A 49 3.537 7.042 -10.804 1.00 0.00 C ATOM 725 O TRP A 49 3.108 7.694 -11.760 1.00 0.00 O ATOM 726 CB TRP A 49 3.223 4.649 -10.133 1.00 0.00 C ATOM 727 CG TRP A 49 3.600 3.204 -10.287 1.00 0.00 C ATOM 728 CD1 TRP A 49 4.578 2.670 -11.083 1.00 0.00 C ATOM 729 CD2 TRP A 49 2.989 2.106 -9.619 1.00 0.00 C ATOM 730 NE1 TRP A 49 4.614 1.304 -10.933 1.00 0.00 N ATOM 731 CE2 TRP A 49 3.643 0.934 -10.037 1.00 0.00 C ATOM 732 CE3 TRP A 49 1.955 2.012 -8.700 1.00 0.00 C ATOM 733 CZ2 TRP A 49 3.283 -0.328 -9.562 1.00 0.00 C ATOM 734 CZ3 TRP A 49 1.594 0.766 -8.225 1.00 0.00 C ATOM 735 CH2 TRP A 49 2.258 -0.392 -8.655 1.00 0.00 C ATOM 0 H TRP A 49 5.633 5.018 -9.730 1.00 0.00 H new ATOM 0 HA TRP A 49 3.965 5.358 -12.041 1.00 0.00 H new ATOM 0 HB2 TRP A 49 3.324 4.929 -9.084 1.00 0.00 H new ATOM 0 HB3 TRP A 49 2.172 4.769 -10.396 1.00 0.00 H new ATOM 0 HD1 TRP A 49 5.226 3.239 -11.733 1.00 0.00 H new ATOM 0 HE1 TRP A 49 5.256 0.670 -11.409 1.00 0.00 H new ATOM 0 HE3 TRP A 49 1.440 2.899 -8.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 3.793 -1.220 -9.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.788 0.682 -7.511 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.956 -1.352 -8.264 1.00 0.00 H new ATOM 746 N PHE A 50 3.600 7.532 -9.571 1.00 0.00 N ATOM 747 CA PHE A 50 2.968 8.803 -9.203 1.00 0.00 C ATOM 748 C PHE A 50 3.858 10.000 -9.561 1.00 0.00 C ATOM 749 O PHE A 50 3.503 10.813 -10.416 1.00 0.00 O ATOM 750 CB PHE A 50 2.637 8.792 -7.706 1.00 0.00 C ATOM 751 CG PHE A 50 1.891 7.548 -7.284 1.00 0.00 C ATOM 752 CD1 PHE A 50 0.526 7.428 -7.507 1.00 0.00 C ATOM 753 CD2 PHE A 50 2.561 6.493 -6.681 1.00 0.00 C ATOM 754 CE1 PHE A 50 -0.152 6.281 -7.141 1.00 0.00 C ATOM 755 CE2 PHE A 50 1.886 5.345 -6.311 1.00 0.00 C ATOM 756 CZ PHE A 50 0.528 5.240 -6.542 1.00 0.00 C ATOM 0 H PHE A 50 4.084 7.069 -8.802 1.00 0.00 H new ATOM 0 HA PHE A 50 2.046 8.912 -9.774 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.561 8.869 -7.133 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.038 9.670 -7.464 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.012 8.241 -7.972 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.623 6.570 -6.499 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.213 6.199 -7.324 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.419 4.531 -5.842 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.001 4.344 -6.254 1.00 0.00 H new ATOM 766 N ARG A 51 4.995 10.097 -8.880 1.00 0.00 N ATOM 767 CA ARG A 51 6.044 11.079 -9.186 1.00 0.00 C ATOM 768 C ARG A 51 5.648 12.522 -8.830 1.00 0.00 C ATOM 769 O ARG A 51 6.239 13.130 -7.945 1.00 0.00 O ATOM 770 CB ARG A 51 6.452 10.957 -10.661 1.00 0.00 C ATOM 771 CG ARG A 51 7.484 11.981 -11.118 1.00 0.00 C ATOM 772 CD ARG A 51 8.060 11.616 -12.479 1.00 0.00 C ATOM 773 NE ARG A 51 8.715 10.307 -12.447 1.00 0.00 N ATOM 774 CZ ARG A 51 9.266 9.728 -13.476 1.00 0.00 C ATOM 775 NH1 ARG A 51 9.222 10.281 -14.643 1.00 0.00 N ATOM 776 NH2 ARG A 51 9.842 8.577 -13.336 1.00 0.00 N ATOM 0 H ARG A 51 5.222 9.492 -8.091 1.00 0.00 H new ATOM 0 HA ARG A 51 6.901 10.848 -8.553 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.850 9.957 -10.833 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.561 11.056 -11.281 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.023 12.967 -11.168 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.288 12.042 -10.385 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.263 11.608 -13.223 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.777 12.376 -12.788 1.00 0.00 H new ATOM 0 HE ARG A 51 8.742 9.813 -11.555 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.753 11.179 -14.765 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.656 9.820 -15.443 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.864 8.125 -12.422 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.274 8.122 -14.140 1.00 0.00 H new ATOM 790 N GLY A 52 4.652 13.052 -9.517 1.00 0.00 N ATOM 791 CA GLY A 52 4.226 14.431 -9.300 1.00 0.00 C ATOM 792 C GLY A 52 2.747 14.643 -9.611 1.00 0.00 C ATOM 793 O GLY A 52 2.385 15.478 -10.443 1.00 0.00 O ATOM 0 H GLY A 52 4.121 12.552 -10.230 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.419 14.708 -8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.824 15.095 -9.925 1.00 0.00 H new ATOM 797 N GLN A 53 1.893 13.865 -8.954 1.00 0.00 N ATOM 798 CA GLN A 53 0.439 13.981 -9.122 1.00 0.00 C ATOM 799 C GLN A 53 -0.183 14.786 -7.967 1.00 0.00 C ATOM 800 O GLN A 53 0.527 15.475 -7.240 1.00 0.00 O ATOM 801 CB GLN A 53 -0.185 12.586 -9.218 1.00 0.00 C ATOM 802 CG GLN A 53 0.314 11.774 -10.412 1.00 0.00 C ATOM 803 CD GLN A 53 -0.325 10.397 -10.505 1.00 0.00 C ATOM 804 OE1 GLN A 53 0.383 9.444 -11.077 1.00 0.00 O flip ATOM 805 NE2 GLN A 53 -1.456 10.195 -10.081 1.00 0.00 N flip ATOM 0 H GLN A 53 2.180 13.141 -8.295 1.00 0.00 H new ATOM 0 HA GLN A 53 0.233 14.520 -10.047 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.029 12.037 -8.301 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.268 12.685 -9.284 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.110 12.326 -11.330 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.396 11.662 -10.341 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.979 10.953 -9.643 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.875 9.269 -10.166 1.00 0.00 H new ATOM 814 N ALA A 54 -1.504 14.717 -7.803 1.00 0.00 N ATOM 815 CA ALA A 54 -2.193 15.540 -6.795 1.00 0.00 C ATOM 816 C ALA A 54 -2.584 14.761 -5.527 1.00 0.00 C ATOM 817 O ALA A 54 -2.053 14.994 -4.439 1.00 0.00 O ATOM 818 CB ALA A 54 -3.437 16.178 -7.409 1.00 0.00 C ATOM 0 H ALA A 54 -2.117 14.109 -8.346 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.482 16.306 -6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.942 16.786 -6.658 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.146 16.808 -8.250 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.112 15.397 -7.758 1.00 0.00 H new ATOM 824 N ASN A 55 -3.513 13.831 -5.682 1.00 0.00 N ATOM 825 CA ASN A 55 -4.167 13.177 -4.554 1.00 0.00 C ATOM 826 C ASN A 55 -3.520 11.822 -4.229 1.00 0.00 C ATOM 827 O ASN A 55 -4.110 10.759 -4.417 1.00 0.00 O ATOM 828 CB ASN A 55 -5.670 13.046 -4.846 1.00 0.00 C ATOM 829 CG ASN A 55 -5.972 12.375 -6.180 1.00 0.00 C ATOM 830 OD1 ASN A 55 -5.143 12.337 -7.082 1.00 0.00 O ATOM 831 ND2 ASN A 55 -7.181 11.881 -6.332 1.00 0.00 N ATOM 0 H ASN A 55 -3.837 13.506 -6.593 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.038 13.792 -3.663 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.139 12.474 -4.046 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.122 14.038 -4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.449 11.452 -7.218 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.851 11.926 -5.564 1.00 0.00 H new ATOM 838 N LEU A 56 -2.284 11.891 -3.752 1.00 0.00 N ATOM 839 CA LEU A 56 -1.500 10.695 -3.402 1.00 0.00 C ATOM 840 C LEU A 56 -1.609 10.333 -1.905 1.00 0.00 C ATOM 841 O LEU A 56 -1.305 11.146 -1.029 1.00 0.00 O ATOM 842 CB LEU A 56 -0.028 10.917 -3.772 1.00 0.00 C ATOM 843 CG LEU A 56 0.213 11.376 -5.219 1.00 0.00 C ATOM 844 CD1 LEU A 56 1.705 11.444 -5.533 1.00 0.00 C ATOM 845 CD2 LEU A 56 -0.515 10.457 -6.197 1.00 0.00 C ATOM 0 H LEU A 56 -1.791 12.770 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.912 9.860 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.394 11.660 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.518 9.988 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.191 12.382 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.845 11.771 -6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.187 12.152 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.150 10.457 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.334 10.795 -7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.146 9.438 -6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.585 10.481 -5.991 1.00 0.00 H new ATOM 857 N VAL A 57 -2.016 9.093 -1.630 1.00 0.00 N ATOM 858 CA VAL A 57 -2.166 8.592 -0.257 1.00 0.00 C ATOM 859 C VAL A 57 -1.099 7.532 0.070 1.00 0.00 C ATOM 860 O VAL A 57 -0.660 6.788 -0.808 1.00 0.00 O ATOM 861 CB VAL A 57 -3.568 7.965 -0.044 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.786 7.582 1.422 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.659 8.912 -0.528 1.00 0.00 C ATOM 0 H VAL A 57 -2.251 8.407 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.042 9.447 0.408 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.622 7.051 -0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.778 7.145 1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.031 6.856 1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.705 8.472 2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.635 8.454 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.603 9.847 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.521 9.114 -1.590 1.00 0.00 H new ATOM 873 N LEU A 58 -0.690 7.465 1.335 1.00 0.00 N ATOM 874 CA LEU A 58 0.289 6.470 1.788 1.00 0.00 C ATOM 875 C LEU A 58 -0.294 5.606 2.922 1.00 0.00 C ATOM 876 O LEU A 58 -0.657 6.118 3.984 1.00 0.00 O ATOM 877 CB LEU A 58 1.584 7.180 2.245 1.00 0.00 C ATOM 878 CG LEU A 58 2.780 6.266 2.615 1.00 0.00 C ATOM 879 CD1 LEU A 58 4.093 7.038 2.517 1.00 0.00 C ATOM 880 CD2 LEU A 58 2.630 5.688 4.025 1.00 0.00 C ATOM 0 H LEU A 58 -1.021 8.090 2.070 1.00 0.00 H new ATOM 0 HA LEU A 58 0.528 5.807 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.903 7.854 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.347 7.799 3.111 1.00 0.00 H new ATOM 0 HG LEU A 58 2.791 5.440 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.922 6.381 2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.227 7.400 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.069 7.885 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.486 5.052 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.582 6.502 4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.715 5.098 4.081 1.00 0.00 H new ATOM 892 N LEU A 59 -0.390 4.299 2.680 1.00 0.00 N ATOM 893 CA LEU A 59 -0.831 3.342 3.705 1.00 0.00 C ATOM 894 C LEU A 59 0.375 2.796 4.489 1.00 0.00 C ATOM 895 O LEU A 59 1.369 2.375 3.895 1.00 0.00 O ATOM 896 CB LEU A 59 -1.596 2.177 3.056 1.00 0.00 C ATOM 897 CG LEU A 59 -2.784 2.574 2.161 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.479 1.333 1.599 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.772 3.452 2.924 1.00 0.00 C ATOM 0 H LEU A 59 -0.168 3.873 1.780 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.494 3.864 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.895 1.594 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.963 1.523 3.847 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.397 3.154 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.315 1.638 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.770 0.756 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.848 0.719 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.602 3.719 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.152 2.906 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.269 4.359 3.260 1.00 0.00 H new ATOM 911 N ALA A 60 0.281 2.804 5.816 1.00 0.00 N ATOM 912 CA ALA A 60 1.374 2.339 6.682 1.00 0.00 C ATOM 913 C ALA A 60 0.880 1.310 7.709 1.00 0.00 C ATOM 914 O ALA A 60 -0.061 1.570 8.465 1.00 0.00 O ATOM 915 CB ALA A 60 2.022 3.522 7.393 1.00 0.00 C ATOM 0 H ALA A 60 -0.543 3.128 6.322 1.00 0.00 H new ATOM 0 HA ALA A 60 2.115 1.850 6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.830 3.165 8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.423 4.215 6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.277 4.033 8.003 1.00 0.00 H new ATOM 921 N VAL A 61 1.515 0.141 7.730 1.00 0.00 N ATOM 922 CA VAL A 61 1.150 -0.931 8.664 1.00 0.00 C ATOM 923 C VAL A 61 2.396 -1.520 9.346 1.00 0.00 C ATOM 924 O VAL A 61 3.408 -1.788 8.693 1.00 0.00 O ATOM 925 CB VAL A 61 0.381 -2.076 7.944 1.00 0.00 C ATOM 926 CG1 VAL A 61 -0.017 -3.178 8.928 1.00 0.00 C ATOM 927 CG2 VAL A 61 -0.846 -1.536 7.206 1.00 0.00 C ATOM 0 H VAL A 61 2.290 -0.093 7.109 1.00 0.00 H new ATOM 0 HA VAL A 61 0.501 -0.484 9.417 1.00 0.00 H new ATOM 0 HB VAL A 61 1.053 -2.513 7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.553 -3.964 8.396 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.879 -3.596 9.388 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.661 -2.760 9.702 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.364 -2.358 6.712 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.519 -1.059 7.919 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.530 -0.806 6.461 1.00 0.00 H new ATOM 937 N GLU A 62 2.321 -1.708 10.663 1.00 0.00 N ATOM 938 CA GLU A 62 3.402 -2.354 11.417 1.00 0.00 C ATOM 939 C GLU A 62 3.413 -3.871 11.163 1.00 0.00 C ATOM 940 O GLU A 62 2.356 -4.501 11.125 1.00 0.00 O ATOM 941 CB GLU A 62 3.260 -2.073 12.927 1.00 0.00 C ATOM 942 CG GLU A 62 3.457 -0.608 13.326 1.00 0.00 C ATOM 943 CD GLU A 62 2.330 0.312 12.868 1.00 0.00 C ATOM 944 OE1 GLU A 62 1.329 0.436 13.601 1.00 0.00 O ATOM 945 OE2 GLU A 62 2.450 0.927 11.787 1.00 0.00 O ATOM 0 H GLU A 62 1.524 -1.423 11.233 1.00 0.00 H new ATOM 0 HA GLU A 62 4.347 -1.935 11.072 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.270 -2.394 13.251 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.985 -2.683 13.466 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.546 -0.545 14.411 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.398 -0.251 12.908 1.00 0.00 H new ATOM 952 N ALA A 63 4.611 -4.443 10.997 1.00 0.00 N ATOM 953 CA ALA A 63 4.767 -5.873 10.682 1.00 0.00 C ATOM 954 C ALA A 63 3.929 -6.777 11.603 1.00 0.00 C ATOM 955 O ALA A 63 2.952 -7.375 11.167 1.00 0.00 O ATOM 956 CB ALA A 63 6.240 -6.265 10.752 1.00 0.00 C ATOM 0 H ALA A 63 5.493 -3.937 11.076 1.00 0.00 H new ATOM 0 HA ALA A 63 4.395 -6.023 9.668 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.346 -7.324 10.518 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.808 -5.675 10.032 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.620 -6.076 11.756 1.00 0.00 H new ATOM 962 N GLU A 64 4.326 -6.874 12.874 1.00 0.00 N ATOM 963 CA GLU A 64 3.596 -7.670 13.871 1.00 0.00 C ATOM 964 C GLU A 64 3.529 -9.178 13.508 1.00 0.00 C ATOM 965 O GLU A 64 3.888 -9.588 12.403 1.00 0.00 O ATOM 966 CB GLU A 64 2.180 -7.093 14.085 1.00 0.00 C ATOM 967 CG GLU A 64 2.178 -5.690 14.688 1.00 0.00 C ATOM 968 CD GLU A 64 0.841 -5.311 15.308 1.00 0.00 C ATOM 969 OE1 GLU A 64 -0.049 -4.817 14.583 1.00 0.00 O ATOM 970 OE2 GLU A 64 0.673 -5.508 16.533 1.00 0.00 O ATOM 0 H GLU A 64 5.155 -6.408 13.242 1.00 0.00 H new ATOM 0 HA GLU A 64 4.155 -7.602 14.804 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.658 -7.069 13.129 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.619 -7.761 14.738 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.956 -5.626 15.449 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.431 -4.967 13.913 1.00 0.00 H new ATOM 977 N PRO A 65 3.103 -10.032 14.469 1.00 0.00 N ATOM 978 CA PRO A 65 2.918 -11.492 14.253 1.00 0.00 C ATOM 979 C PRO A 65 2.041 -11.904 13.038 1.00 0.00 C ATOM 980 O PRO A 65 1.759 -13.089 12.863 1.00 0.00 O ATOM 981 CB PRO A 65 2.238 -11.944 15.553 1.00 0.00 C ATOM 982 CG PRO A 65 2.714 -10.980 16.583 1.00 0.00 C ATOM 983 CD PRO A 65 2.843 -9.657 15.877 1.00 0.00 C ATOM 0 HA PRO A 65 3.880 -11.952 14.024 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.152 -11.921 15.461 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.514 -12.967 15.810 1.00 0.00 H new ATOM 0 HG2 PRO A 65 2.009 -10.914 17.412 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.670 -11.295 17.001 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.934 -9.063 15.971 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.657 -9.061 16.289 1.00 0.00 H new ATOM 991 N LEU A 66 1.611 -10.957 12.200 1.00 0.00 N ATOM 992 CA LEU A 66 0.802 -11.293 11.016 1.00 0.00 C ATOM 993 C LEU A 66 1.685 -11.606 9.795 1.00 0.00 C ATOM 994 O LEU A 66 1.187 -11.765 8.677 1.00 0.00 O ATOM 995 CB LEU A 66 -0.202 -10.158 10.706 1.00 0.00 C ATOM 996 CG LEU A 66 0.388 -8.747 10.473 1.00 0.00 C ATOM 997 CD1 LEU A 66 1.009 -8.613 9.079 1.00 0.00 C ATOM 998 CD2 LEU A 66 -0.680 -7.677 10.693 1.00 0.00 C ATOM 0 H LEU A 66 1.804 -9.962 12.313 1.00 0.00 H new ATOM 0 HA LEU A 66 0.237 -12.197 11.242 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.769 -10.439 9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.911 -10.097 11.532 1.00 0.00 H new ATOM 0 HG LEU A 66 1.186 -8.600 11.201 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.412 -7.608 8.955 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.812 -9.342 8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.246 -8.794 8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.247 -6.691 10.525 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.503 -7.836 9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.053 -7.740 11.715 1.00 0.00 H new ATOM 1010 N GLY A 67 2.994 -11.741 10.022 1.00 0.00 N ATOM 1011 CA GLY A 67 3.943 -11.965 8.932 1.00 0.00 C ATOM 1012 C GLY A 67 3.871 -13.359 8.304 1.00 0.00 C ATOM 1013 O GLY A 67 4.865 -13.856 7.772 1.00 0.00 O ATOM 0 H GLY A 67 3.419 -11.699 10.948 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.767 -11.221 8.155 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.953 -11.801 9.307 1.00 0.00 H new ATOM 1017 N GLU A 68 2.704 -13.997 8.364 1.00 0.00 N ATOM 1018 CA GLU A 68 2.481 -15.270 7.672 1.00 0.00 C ATOM 1019 C GLU A 68 1.718 -15.035 6.359 1.00 0.00 C ATOM 1020 O GLU A 68 1.950 -15.712 5.356 1.00 0.00 O ATOM 1021 CB GLU A 68 1.705 -16.241 8.574 1.00 0.00 C ATOM 1022 CG GLU A 68 1.546 -17.640 7.982 1.00 0.00 C ATOM 1023 CD GLU A 68 0.872 -18.613 8.937 1.00 0.00 C ATOM 1024 OE1 GLU A 68 1.560 -19.154 9.827 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -0.350 -18.838 8.803 1.00 0.00 O ATOM 0 H GLU A 68 1.896 -13.655 8.884 1.00 0.00 H new ATOM 0 HA GLU A 68 3.449 -15.713 7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.217 -16.319 9.533 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.717 -15.826 8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.962 -17.576 7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.528 -18.027 7.709 1.00 0.00 H new ATOM 1032 N ASP A 69 0.804 -14.063 6.379 1.00 0.00 N ATOM 1033 CA ASP A 69 0.069 -13.658 5.176 1.00 0.00 C ATOM 1034 C ASP A 69 0.928 -12.752 4.281 1.00 0.00 C ATOM 1035 O ASP A 69 0.583 -12.486 3.130 1.00 0.00 O ATOM 1036 CB ASP A 69 -1.216 -12.928 5.574 1.00 0.00 C ATOM 1037 CG ASP A 69 -2.101 -13.783 6.463 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -1.892 -13.783 7.693 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -3.006 -14.462 5.933 1.00 0.00 O ATOM 0 H ASP A 69 0.553 -13.539 7.218 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.182 -14.556 4.611 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.962 -12.005 6.095 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.767 -12.647 4.676 1.00 0.00 H new ATOM 1044 N LEU A 70 2.042 -12.277 4.833 1.00 0.00 N ATOM 1045 CA LEU A 70 2.976 -11.408 4.109 1.00 0.00 C ATOM 1046 C LEU A 70 4.327 -12.116 3.893 1.00 0.00 C ATOM 1047 O LEU A 70 4.872 -12.716 4.819 1.00 0.00 O ATOM 1048 CB LEU A 70 3.198 -10.107 4.900 1.00 0.00 C ATOM 1049 CG LEU A 70 4.150 -9.090 4.249 1.00 0.00 C ATOM 1050 CD1 LEU A 70 3.550 -8.517 2.967 1.00 0.00 C ATOM 1051 CD2 LEU A 70 4.496 -7.978 5.234 1.00 0.00 C ATOM 0 H LEU A 70 2.325 -12.481 5.791 1.00 0.00 H new ATOM 0 HA LEU A 70 2.544 -11.176 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.232 -9.627 5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.587 -10.363 5.885 1.00 0.00 H new ATOM 0 HG LEU A 70 5.070 -9.609 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.245 -7.801 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.366 -9.325 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.610 -8.016 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.171 -7.267 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.584 -7.465 5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.981 -8.407 6.111 1.00 0.00 H new ATOM 1063 N LYS A 71 4.868 -12.041 2.677 1.00 0.00 N ATOM 1064 CA LYS A 71 6.169 -12.656 2.373 1.00 0.00 C ATOM 1065 C LYS A 71 7.042 -11.727 1.516 1.00 0.00 C ATOM 1066 O LYS A 71 6.572 -11.134 0.544 1.00 0.00 O ATOM 1067 CB LYS A 71 5.964 -13.991 1.644 1.00 0.00 C ATOM 1068 CG LYS A 71 7.253 -14.776 1.403 1.00 0.00 C ATOM 1069 CD LYS A 71 7.010 -16.001 0.527 1.00 0.00 C ATOM 1070 CE LYS A 71 6.022 -16.977 1.157 1.00 0.00 C ATOM 1071 NZ LYS A 71 5.584 -18.015 0.188 1.00 0.00 N ATOM 0 H LYS A 71 4.432 -11.564 1.888 1.00 0.00 H new ATOM 0 HA LYS A 71 6.683 -12.831 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.279 -14.608 2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.484 -13.799 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.990 -14.129 0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.673 -15.089 2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.632 -15.681 -0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.957 -16.511 0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.484 -17.456 2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.153 -16.430 1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.095 -18.780 0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.936 -17.591 -0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.414 -18.402 -0.305 1.00 0.00 H new ATOM 1085 N TRP A 72 8.314 -11.598 1.885 1.00 0.00 N ATOM 1086 CA TRP A 72 9.266 -10.790 1.117 1.00 0.00 C ATOM 1087 C TRP A 72 9.848 -11.601 -0.054 1.00 0.00 C ATOM 1088 O TRP A 72 10.872 -12.274 0.087 1.00 0.00 O ATOM 1089 CB TRP A 72 10.398 -10.292 2.031 1.00 0.00 C ATOM 1090 CG TRP A 72 9.914 -9.502 3.213 1.00 0.00 C ATOM 1091 CD1 TRP A 72 9.526 -9.996 4.428 1.00 0.00 C ATOM 1092 CD2 TRP A 72 9.773 -8.080 3.296 1.00 0.00 C ATOM 1093 NE1 TRP A 72 9.143 -8.968 5.253 1.00 0.00 N ATOM 1094 CE2 TRP A 72 9.288 -7.783 4.583 1.00 0.00 C ATOM 1095 CE3 TRP A 72 10.006 -7.028 2.406 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.037 -6.480 5.002 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.758 -5.734 2.823 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.275 -5.470 4.110 1.00 0.00 C ATOM 0 H TRP A 72 8.713 -12.042 2.712 1.00 0.00 H new ATOM 0 HA TRP A 72 8.736 -9.929 0.709 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.970 -11.149 2.387 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.080 -9.674 1.447 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.522 -11.042 4.699 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.805 -9.070 6.210 1.00 0.00 H new ATOM 0 HE3 TRP A 72 10.374 -7.223 1.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.668 -6.273 5.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.940 -4.913 2.145 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.086 -4.448 4.405 1.00 0.00 H new ATOM 1109 N GLU A 73 9.181 -11.548 -1.206 1.00 0.00 N ATOM 1110 CA GLU A 73 9.573 -12.360 -2.366 1.00 0.00 C ATOM 1111 C GLU A 73 10.457 -11.575 -3.351 1.00 0.00 C ATOM 1112 O GLU A 73 10.032 -10.574 -3.928 1.00 0.00 O ATOM 1113 CB GLU A 73 8.319 -12.882 -3.083 1.00 0.00 C ATOM 1114 CG GLU A 73 7.424 -13.745 -2.197 1.00 0.00 C ATOM 1115 CD GLU A 73 6.253 -14.361 -2.948 1.00 0.00 C ATOM 1116 OE1 GLU A 73 6.462 -15.368 -3.650 1.00 0.00 O ATOM 1117 OE2 GLU A 73 5.124 -13.840 -2.843 1.00 0.00 O ATOM 0 H GLU A 73 8.367 -10.954 -1.365 1.00 0.00 H new ATOM 0 HA GLU A 73 10.163 -13.199 -1.998 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.742 -12.034 -3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.624 -13.463 -3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.022 -14.541 -1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.042 -13.138 -1.376 1.00 0.00 H new ATOM 1124 N ALA A 74 11.691 -12.045 -3.536 1.00 0.00 N ATOM 1125 CA ALA A 74 12.634 -11.420 -4.471 1.00 0.00 C ATOM 1126 C ALA A 74 12.499 -12.024 -5.876 1.00 0.00 C ATOM 1127 O ALA A 74 12.802 -13.200 -6.088 1.00 0.00 O ATOM 1128 CB ALA A 74 14.065 -11.573 -3.958 1.00 0.00 C ATOM 0 H ALA A 74 12.064 -12.860 -3.049 1.00 0.00 H new ATOM 0 HA ALA A 74 12.396 -10.358 -4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.755 -11.105 -4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.156 -11.091 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.306 -12.632 -3.863 1.00 0.00 H new ATOM 1134 N SER A 75 12.053 -11.218 -6.837 1.00 0.00 N ATOM 1135 CA SER A 75 11.805 -11.706 -8.207 1.00 0.00 C ATOM 1136 C SER A 75 12.697 -11.015 -9.254 1.00 0.00 C ATOM 1137 O SER A 75 12.272 -10.786 -10.389 1.00 0.00 O ATOM 1138 CB SER A 75 10.326 -11.507 -8.573 1.00 0.00 C ATOM 1139 OG SER A 75 9.479 -12.287 -7.744 1.00 0.00 O ATOM 0 H SER A 75 11.854 -10.227 -6.701 1.00 0.00 H new ATOM 0 HA SER A 75 12.056 -12.767 -8.219 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.064 -10.454 -8.475 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.168 -11.779 -9.617 1.00 0.00 H new ATOM 0 HG SER A 75 8.545 -12.138 -7.999 1.00 0.00 H new ATOM 1145 N ARG A 76 13.942 -10.716 -8.888 1.00 0.00 N ATOM 1146 CA ARG A 76 14.882 -10.073 -9.820 1.00 0.00 C ATOM 1147 C ARG A 76 16.336 -10.179 -9.324 1.00 0.00 C ATOM 1148 O ARG A 76 17.264 -10.339 -10.118 1.00 0.00 O ATOM 1149 CB ARG A 76 14.511 -8.594 -10.033 1.00 0.00 C ATOM 1150 CG ARG A 76 15.194 -7.964 -11.247 1.00 0.00 C ATOM 1151 CD ARG A 76 14.853 -6.483 -11.401 1.00 0.00 C ATOM 1152 NE ARG A 76 15.303 -5.949 -12.687 1.00 0.00 N ATOM 1153 CZ ARG A 76 16.412 -5.278 -12.871 1.00 0.00 C ATOM 1154 NH1 ARG A 76 17.228 -5.061 -11.888 1.00 0.00 N ATOM 1155 NH2 ARG A 76 16.705 -4.829 -14.047 1.00 0.00 N ATOM 0 H ARG A 76 14.326 -10.904 -7.962 1.00 0.00 H new ATOM 0 HA ARG A 76 14.807 -10.602 -10.770 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.430 -8.512 -10.150 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.779 -8.028 -9.141 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.274 -8.078 -11.153 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.894 -8.499 -12.148 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.775 -6.347 -11.309 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.316 -5.918 -10.592 1.00 0.00 H new ATOM 0 HE ARG A 76 14.709 -6.112 -13.500 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.010 -5.415 -10.956 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.089 -4.537 -12.046 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.073 -4.998 -14.829 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.568 -4.306 -14.193 1.00 0.00 H new ATOM 1169 N GLY A 77 16.525 -10.086 -8.009 1.00 0.00 N ATOM 1170 CA GLY A 77 17.864 -10.163 -7.430 1.00 0.00 C ATOM 1171 C GLY A 77 18.068 -9.197 -6.267 1.00 0.00 C ATOM 1172 O GLY A 77 18.288 -8.002 -6.473 1.00 0.00 O ATOM 0 H GLY A 77 15.775 -9.958 -7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.047 -11.181 -7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.601 -9.951 -8.204 1.00 0.00 H new ATOM 1176 N GLY A 78 17.983 -9.711 -5.040 1.00 0.00 N ATOM 1177 CA GLY A 78 18.199 -8.882 -3.854 1.00 0.00 C ATOM 1178 C GLY A 78 16.962 -8.091 -3.427 1.00 0.00 C ATOM 1179 O GLY A 78 16.615 -8.057 -2.244 1.00 0.00 O ATOM 0 H GLY A 78 17.768 -10.688 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.516 -9.519 -3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.015 -8.186 -4.051 1.00 0.00 H new ATOM 1183 N ALA A 79 16.306 -7.436 -4.382 1.00 0.00 N ATOM 1184 CA ALA A 79 15.083 -6.674 -4.099 1.00 0.00 C ATOM 1185 C ALA A 79 13.915 -7.603 -3.718 1.00 0.00 C ATOM 1186 O ALA A 79 13.334 -8.273 -4.574 1.00 0.00 O ATOM 1187 CB ALA A 79 14.708 -5.810 -5.300 1.00 0.00 C ATOM 0 H ALA A 79 16.597 -7.415 -5.359 1.00 0.00 H new ATOM 0 HA ALA A 79 15.283 -6.026 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.800 -5.251 -5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 79 15.519 -5.114 -5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.537 -6.447 -6.168 1.00 0.00 H new ATOM 1193 N ARG A 80 13.591 -7.650 -2.427 1.00 0.00 N ATOM 1194 CA ARG A 80 12.508 -8.502 -1.923 1.00 0.00 C ATOM 1195 C ARG A 80 11.177 -7.736 -1.858 1.00 0.00 C ATOM 1196 O ARG A 80 10.984 -6.870 -1.000 1.00 0.00 O ATOM 1197 CB ARG A 80 12.869 -9.052 -0.535 1.00 0.00 C ATOM 1198 CG ARG A 80 14.041 -10.031 -0.539 1.00 0.00 C ATOM 1199 CD ARG A 80 14.410 -10.478 0.872 1.00 0.00 C ATOM 1200 NE ARG A 80 14.904 -9.363 1.683 1.00 0.00 N ATOM 1201 CZ ARG A 80 14.411 -9.007 2.839 1.00 0.00 C ATOM 1202 NH1 ARG A 80 13.436 -9.666 3.381 1.00 0.00 N ATOM 1203 NH2 ARG A 80 14.914 -7.991 3.458 1.00 0.00 N ATOM 0 H ARG A 80 14.064 -7.106 -1.705 1.00 0.00 H new ATOM 0 HA ARG A 80 12.384 -9.333 -2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.109 -8.217 0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 80 11.995 -9.549 -0.114 1.00 0.00 H new ATOM 0 HG2 ARG A 80 13.785 -10.903 -1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 80 14.905 -9.562 -1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 80 13.537 -10.919 1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 80 15.172 -11.255 0.820 1.00 0.00 H new ATOM 0 HE ARG A 80 15.690 -8.825 1.319 1.00 0.00 H new ATOM 0 HH11 ARG A 80 13.041 -10.477 2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.063 -9.374 4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 80 15.690 -7.474 3.044 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.536 -7.706 4.361 1.00 0.00 H new ATOM 1217 N PHE A 81 10.261 -8.064 -2.765 1.00 0.00 N ATOM 1218 CA PHE A 81 8.957 -7.403 -2.831 1.00 0.00 C ATOM 1219 C PHE A 81 7.953 -8.040 -1.850 1.00 0.00 C ATOM 1220 O PHE A 81 7.576 -9.205 -2.006 1.00 0.00 O ATOM 1221 CB PHE A 81 8.401 -7.483 -4.259 1.00 0.00 C ATOM 1222 CG PHE A 81 9.279 -6.823 -5.294 1.00 0.00 C ATOM 1223 CD1 PHE A 81 10.291 -7.537 -5.926 1.00 0.00 C ATOM 1224 CD2 PHE A 81 9.095 -5.489 -5.632 1.00 0.00 C ATOM 1225 CE1 PHE A 81 11.094 -6.934 -6.874 1.00 0.00 C ATOM 1226 CE2 PHE A 81 9.898 -4.883 -6.581 1.00 0.00 C ATOM 1227 CZ PHE A 81 10.899 -5.605 -7.200 1.00 0.00 C ATOM 0 H PHE A 81 10.398 -8.789 -3.470 1.00 0.00 H new ATOM 0 HA PHE A 81 9.096 -6.360 -2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.264 -8.531 -4.527 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.416 -7.017 -4.282 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.451 -8.575 -5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 81 8.316 -4.918 -5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 81 11.874 -7.501 -7.361 1.00 0.00 H new ATOM 0 HE2 PHE A 81 9.742 -3.846 -6.838 1.00 0.00 H new ATOM 0 HZ PHE A 81 11.529 -5.132 -7.938 1.00 0.00 H new ATOM 1237 N PRO A 82 7.503 -7.287 -0.824 1.00 0.00 N ATOM 1238 CA PRO A 82 6.497 -7.778 0.134 1.00 0.00 C ATOM 1239 C PRO A 82 5.140 -8.046 -0.534 1.00 0.00 C ATOM 1240 O PRO A 82 4.465 -7.119 -0.988 1.00 0.00 O ATOM 1241 CB PRO A 82 6.381 -6.637 1.159 1.00 0.00 C ATOM 1242 CG PRO A 82 6.882 -5.425 0.445 1.00 0.00 C ATOM 1243 CD PRO A 82 7.936 -5.912 -0.515 1.00 0.00 C ATOM 0 HA PRO A 82 6.789 -8.730 0.577 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.350 -6.504 1.487 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.975 -6.844 2.049 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.073 -4.923 -0.086 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.298 -4.703 1.147 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.981 -5.293 -1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.929 -5.894 -0.065 1.00 0.00 H new ATOM 1251 N HIS A 83 4.762 -9.321 -0.618 1.00 0.00 N ATOM 1252 CA HIS A 83 3.479 -9.722 -1.212 1.00 0.00 C ATOM 1253 C HIS A 83 2.476 -10.171 -0.140 1.00 0.00 C ATOM 1254 O HIS A 83 2.816 -10.944 0.758 1.00 0.00 O ATOM 1255 CB HIS A 83 3.687 -10.860 -2.221 1.00 0.00 C ATOM 1256 CG HIS A 83 4.561 -10.501 -3.384 1.00 0.00 C ATOM 1257 ND1 HIS A 83 5.162 -11.443 -4.187 1.00 0.00 N ATOM 1258 CD2 HIS A 83 4.920 -9.300 -3.892 1.00 0.00 C ATOM 1259 CE1 HIS A 83 5.850 -10.844 -5.134 1.00 0.00 C ATOM 1260 NE2 HIS A 83 5.721 -9.543 -4.980 1.00 0.00 N ATOM 0 H HIS A 83 5.327 -10.101 -0.281 1.00 0.00 H new ATOM 0 HA HIS A 83 3.072 -8.849 -1.723 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.124 -11.714 -1.703 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.715 -11.179 -2.597 1.00 0.00 H new ATOM 0 HD1 HIS A 83 5.085 -12.453 -4.066 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.631 -8.331 -3.513 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.423 -11.335 -5.906 1.00 0.00 H new ATOM 1269 N LEU A 84 1.242 -9.685 -0.243 1.00 0.00 N ATOM 1270 CA LEU A 84 0.170 -10.080 0.674 1.00 0.00 C ATOM 1271 C LEU A 84 -0.732 -11.139 0.016 1.00 0.00 C ATOM 1272 O LEU A 84 -1.338 -10.894 -1.031 1.00 0.00 O ATOM 1273 CB LEU A 84 -0.653 -8.849 1.081 1.00 0.00 C ATOM 1274 CG LEU A 84 -1.716 -9.088 2.169 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -1.078 -9.574 3.467 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -2.525 -7.819 2.417 1.00 0.00 C ATOM 0 H LEU A 84 0.956 -9.013 -0.955 1.00 0.00 H new ATOM 0 HA LEU A 84 0.613 -10.515 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.032 -8.076 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.149 -8.457 0.193 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.389 -9.867 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.854 -9.734 4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.551 -10.510 3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.373 -8.825 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.271 -8.008 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.859 -7.021 2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.024 -7.520 1.495 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.821 -12.311 0.639 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.545 -13.455 0.062 1.00 0.00 C ATOM 1290 C TYR A 85 -3.074 -13.362 0.246 1.00 0.00 C ATOM 1291 O TYR A 85 -3.802 -14.298 -0.091 1.00 0.00 O ATOM 1292 CB TYR A 85 -1.010 -14.760 0.673 1.00 0.00 C ATOM 1293 CG TYR A 85 0.404 -15.102 0.229 1.00 0.00 C ATOM 1294 CD1 TYR A 85 1.494 -14.339 0.640 1.00 0.00 C ATOM 1295 CD2 TYR A 85 0.646 -16.181 -0.615 1.00 0.00 C ATOM 1296 CE1 TYR A 85 2.776 -14.642 0.221 1.00 0.00 C ATOM 1297 CE2 TYR A 85 1.924 -16.486 -1.038 1.00 0.00 C ATOM 1298 CZ TYR A 85 2.984 -15.717 -0.618 1.00 0.00 C ATOM 1299 OH TYR A 85 4.259 -16.023 -1.040 1.00 0.00 O ATOM 0 H TYR A 85 -0.400 -12.500 1.549 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.366 -13.442 -1.013 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.032 -14.679 1.760 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.676 -15.579 0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.335 -13.497 1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.181 -16.791 -0.945 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.611 -14.040 0.549 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.091 -17.326 -1.696 1.00 0.00 H new ATOM 0 HH TYR A 85 4.264 -16.132 -2.014 1.00 0.00 H new ATOM 1309 N ARG A 86 -3.558 -12.229 0.753 1.00 0.00 N ATOM 1310 CA ARG A 86 -5.000 -12.023 0.951 1.00 0.00 C ATOM 1311 C ARG A 86 -5.390 -10.551 0.705 1.00 0.00 C ATOM 1312 O ARG A 86 -4.549 -9.658 0.815 1.00 0.00 O ATOM 1313 CB ARG A 86 -5.412 -12.453 2.373 1.00 0.00 C ATOM 1314 CG ARG A 86 -4.829 -11.589 3.493 1.00 0.00 C ATOM 1315 CD ARG A 86 -5.264 -12.083 4.871 1.00 0.00 C ATOM 1316 NE ARG A 86 -4.829 -11.195 5.952 1.00 0.00 N ATOM 1317 CZ ARG A 86 -4.694 -11.574 7.198 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -4.898 -12.806 7.537 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -4.344 -10.724 8.106 1.00 0.00 N ATOM 0 H ARG A 86 -2.978 -11.439 1.035 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.531 -12.640 0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.499 -12.432 2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.102 -13.486 2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.741 -11.597 3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.148 -10.555 3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.350 -12.173 4.894 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.858 -13.080 5.040 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.619 -10.224 5.720 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.166 -13.491 6.831 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.790 -13.092 8.510 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.171 -9.751 7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.241 -11.026 9.075 1.00 0.00 H new ATOM 1333 N PRO A 87 -6.666 -10.281 0.348 1.00 0.00 N ATOM 1334 CA PRO A 87 -7.165 -8.904 0.150 1.00 0.00 C ATOM 1335 C PRO A 87 -6.899 -7.986 1.358 1.00 0.00 C ATOM 1336 O PRO A 87 -7.123 -8.369 2.510 1.00 0.00 O ATOM 1337 CB PRO A 87 -8.675 -9.103 -0.062 1.00 0.00 C ATOM 1338 CG PRO A 87 -8.798 -10.490 -0.597 1.00 0.00 C ATOM 1339 CD PRO A 87 -7.719 -11.287 0.088 1.00 0.00 C ATOM 0 HA PRO A 87 -6.663 -8.409 -0.681 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -9.225 -8.988 0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -9.077 -8.371 -0.762 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.784 -10.905 -0.388 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.669 -10.505 -1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.079 -11.741 1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.354 -12.097 -0.544 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.440 -6.766 1.088 1.00 0.00 N ATOM 1348 CA LEU A 88 -6.083 -5.823 2.149 1.00 0.00 C ATOM 1349 C LEU A 88 -7.330 -5.127 2.718 1.00 0.00 C ATOM 1350 O LEU A 88 -7.748 -4.076 2.232 1.00 0.00 O ATOM 1351 CB LEU A 88 -5.085 -4.781 1.614 1.00 0.00 C ATOM 1352 CG LEU A 88 -4.597 -3.736 2.636 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -3.845 -4.404 3.785 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -3.726 -2.683 1.951 1.00 0.00 C ATOM 0 H LEU A 88 -6.306 -6.406 0.143 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.614 -6.383 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.217 -5.307 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.549 -4.256 0.779 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.470 -3.236 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.511 -3.644 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.506 -5.107 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.980 -4.938 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.390 -1.953 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.860 -3.166 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.306 -2.178 1.178 1.00 0.00 H new ATOM 1366 N LEU A 89 -7.944 -5.736 3.730 1.00 0.00 N ATOM 1367 CA LEU A 89 -9.095 -5.129 4.408 1.00 0.00 C ATOM 1368 C LEU A 89 -8.697 -3.791 5.053 1.00 0.00 C ATOM 1369 O LEU A 89 -7.598 -3.665 5.597 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.648 -6.084 5.481 1.00 0.00 C ATOM 1371 CG LEU A 89 -10.022 -7.494 4.990 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -10.549 -8.347 6.144 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -11.047 -7.420 3.860 1.00 0.00 C ATOM 0 H LEU A 89 -7.668 -6.646 4.100 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.871 -4.943 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.905 -6.180 6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.532 -5.628 5.926 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.121 -7.968 4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.807 -9.339 5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.781 -8.434 6.912 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.435 -7.876 6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.297 -8.428 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.948 -6.922 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.629 -6.857 3.026 1.00 0.00 H new ATOM 1385 N VAL A 90 -9.585 -2.797 5.008 1.00 0.00 N ATOM 1386 CA VAL A 90 -9.286 -1.480 5.589 1.00 0.00 C ATOM 1387 C VAL A 90 -8.953 -1.597 7.089 1.00 0.00 C ATOM 1388 O VAL A 90 -8.199 -0.792 7.637 1.00 0.00 O ATOM 1389 CB VAL A 90 -10.457 -0.481 5.382 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -10.164 0.865 6.049 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -10.737 -0.284 3.892 1.00 0.00 C ATOM 0 H VAL A 90 -10.508 -2.873 4.581 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.412 -1.093 5.065 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.343 -0.905 5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.003 1.542 5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.020 0.717 7.119 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.261 1.296 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.560 0.419 3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.846 0.110 3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.005 -1.240 3.443 1.00 0.00 H new ATOM 1401 N SER A 91 -9.499 -2.624 7.741 1.00 0.00 N ATOM 1402 CA SER A 91 -9.210 -2.895 9.160 1.00 0.00 C ATOM 1403 C SER A 91 -7.735 -3.289 9.387 1.00 0.00 C ATOM 1404 O SER A 91 -7.204 -3.140 10.489 1.00 0.00 O ATOM 1405 CB SER A 91 -10.133 -4.002 9.694 1.00 0.00 C ATOM 1406 OG SER A 91 -9.898 -4.254 11.071 1.00 0.00 O ATOM 0 H SER A 91 -10.146 -3.286 7.313 1.00 0.00 H new ATOM 0 HA SER A 91 -9.396 -1.971 9.707 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.173 -3.712 9.548 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.974 -4.917 9.123 1.00 0.00 H new ATOM 0 HG SER A 91 -10.501 -4.961 11.382 1.00 0.00 H new ATOM 1412 N GLU A 92 -7.079 -3.800 8.343 1.00 0.00 N ATOM 1413 CA GLU A 92 -5.639 -4.118 8.401 1.00 0.00 C ATOM 1414 C GLU A 92 -4.777 -2.853 8.279 1.00 0.00 C ATOM 1415 O GLU A 92 -3.611 -2.844 8.676 1.00 0.00 O ATOM 1416 CB GLU A 92 -5.253 -5.124 7.296 1.00 0.00 C ATOM 1417 CG GLU A 92 -5.182 -6.579 7.762 1.00 0.00 C ATOM 1418 CD GLU A 92 -6.470 -7.075 8.400 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -7.378 -7.503 7.663 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -6.571 -7.060 9.647 1.00 0.00 O ATOM 0 H GLU A 92 -7.516 -4.005 7.445 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.447 -4.570 9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.978 -5.050 6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.284 -4.839 6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.940 -7.214 6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.367 -6.683 8.479 1.00 0.00 H new ATOM 1427 N VAL A 93 -5.352 -1.792 7.725 1.00 0.00 N ATOM 1428 CA VAL A 93 -4.638 -0.523 7.573 1.00 0.00 C ATOM 1429 C VAL A 93 -4.561 0.228 8.913 1.00 0.00 C ATOM 1430 O VAL A 93 -5.434 1.035 9.241 1.00 0.00 O ATOM 1431 CB VAL A 93 -5.306 0.382 6.505 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -4.455 1.622 6.224 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -5.568 -0.405 5.221 1.00 0.00 C ATOM 0 H VAL A 93 -6.309 -1.782 7.373 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.628 -0.761 7.240 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.264 0.720 6.899 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.947 2.238 5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.335 2.197 7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.475 1.316 5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.037 0.247 4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.624 -0.780 4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.230 -1.244 5.437 1.00 0.00 H new ATOM 1443 N THR A 94 -3.523 -0.069 9.693 1.00 0.00 N ATOM 1444 CA THR A 94 -3.338 0.548 11.015 1.00 0.00 C ATOM 1445 C THR A 94 -3.218 2.075 10.928 1.00 0.00 C ATOM 1446 O THR A 94 -3.889 2.800 11.666 1.00 0.00 O ATOM 1447 CB THR A 94 -2.093 -0.025 11.742 1.00 0.00 C ATOM 1448 OG1 THR A 94 -2.253 -1.440 11.942 1.00 0.00 O ATOM 1449 CG2 THR A 94 -1.877 0.650 13.095 1.00 0.00 C ATOM 0 H THR A 94 -2.793 -0.734 9.436 1.00 0.00 H new ATOM 0 HA THR A 94 -4.231 0.304 11.591 1.00 0.00 H new ATOM 0 HB THR A 94 -1.223 0.170 11.115 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.463 -1.797 12.400 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.997 0.225 13.577 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.729 1.720 12.948 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.751 0.488 13.726 1.00 0.00 H new ATOM 1457 N ARG A 95 -2.369 2.563 10.023 1.00 0.00 N ATOM 1458 CA ARG A 95 -2.164 4.008 9.847 1.00 0.00 C ATOM 1459 C ARG A 95 -2.180 4.399 8.358 1.00 0.00 C ATOM 1460 O ARG A 95 -1.782 3.615 7.501 1.00 0.00 O ATOM 1461 CB ARG A 95 -0.835 4.435 10.491 1.00 0.00 C ATOM 1462 CG ARG A 95 -0.793 4.240 12.006 1.00 0.00 C ATOM 1463 CD ARG A 95 0.553 4.648 12.599 1.00 0.00 C ATOM 1464 NE ARG A 95 1.643 3.778 12.155 1.00 0.00 N ATOM 1465 CZ ARG A 95 2.878 4.171 11.984 1.00 0.00 C ATOM 1466 NH1 ARG A 95 3.212 5.411 12.175 1.00 0.00 N ATOM 1467 NH2 ARG A 95 3.781 3.319 11.623 1.00 0.00 N ATOM 0 H ARG A 95 -1.810 1.982 9.398 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.986 4.527 10.340 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.023 3.866 10.038 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -0.653 5.485 10.264 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.586 4.827 12.469 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.991 3.195 12.242 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.775 5.677 12.317 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.491 4.622 13.687 1.00 0.00 H new ATOM 0 HE ARG A 95 1.424 2.800 11.966 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.507 6.091 12.462 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.179 5.706 12.038 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.529 2.342 11.472 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.745 3.624 11.489 1.00 0.00 H new ATOM 1481 N GLU A 96 -2.651 5.609 8.057 1.00 0.00 N ATOM 1482 CA GLU A 96 -2.661 6.120 6.676 1.00 0.00 C ATOM 1483 C GLU A 96 -2.717 7.658 6.641 1.00 0.00 C ATOM 1484 O GLU A 96 -3.202 8.292 7.579 1.00 0.00 O ATOM 1485 CB GLU A 96 -3.825 5.501 5.868 1.00 0.00 C ATOM 1486 CG GLU A 96 -5.183 5.489 6.577 1.00 0.00 C ATOM 1487 CD GLU A 96 -5.864 6.850 6.642 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -6.258 7.381 5.580 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -6.023 7.389 7.759 1.00 0.00 O ATOM 0 H GLU A 96 -3.032 6.257 8.747 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.725 5.819 6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.928 6.050 4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.560 4.476 5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.842 4.789 6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.048 5.114 7.591 1.00 0.00 H new ATOM 1496 N ALA A 97 -2.196 8.250 5.565 1.00 0.00 N ATOM 1497 CA ALA A 97 -2.169 9.713 5.417 1.00 0.00 C ATOM 1498 C ALA A 97 -1.769 10.136 3.996 1.00 0.00 C ATOM 1499 O ALA A 97 -1.039 9.421 3.309 1.00 0.00 O ATOM 1500 CB ALA A 97 -1.205 10.329 6.431 1.00 0.00 C ATOM 0 H ALA A 97 -1.786 7.742 4.781 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.179 10.079 5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.194 11.412 6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.530 10.079 7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.202 9.936 6.265 1.00 0.00 H new ATOM 1506 N ASP A 98 -2.252 11.299 3.559 1.00 0.00 N ATOM 1507 CA ASP A 98 -1.842 11.870 2.270 1.00 0.00 C ATOM 1508 C ASP A 98 -0.404 12.413 2.365 1.00 0.00 C ATOM 1509 O ASP A 98 -0.098 13.224 3.240 1.00 0.00 O ATOM 1510 CB ASP A 98 -2.804 12.987 1.851 1.00 0.00 C ATOM 1511 CG ASP A 98 -4.252 12.523 1.807 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -4.659 11.904 0.802 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -4.999 12.790 2.775 1.00 0.00 O ATOM 0 H ASP A 98 -2.926 11.865 4.075 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.872 11.085 1.515 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.714 13.820 2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.516 13.361 0.869 1.00 0.00 H new ATOM 1518 N LEU A 99 0.474 11.979 1.464 1.00 0.00 N ATOM 1519 CA LEU A 99 1.912 12.279 1.583 1.00 0.00 C ATOM 1520 C LEU A 99 2.281 13.709 1.128 1.00 0.00 C ATOM 1521 O LEU A 99 1.443 14.462 0.629 1.00 0.00 O ATOM 1522 CB LEU A 99 2.739 11.219 0.829 1.00 0.00 C ATOM 1523 CG LEU A 99 2.314 10.919 -0.625 1.00 0.00 C ATOM 1524 CD1 LEU A 99 2.645 12.080 -1.559 1.00 0.00 C ATOM 1525 CD2 LEU A 99 2.969 9.629 -1.118 1.00 0.00 C ATOM 0 H LEU A 99 0.225 11.422 0.647 1.00 0.00 H new ATOM 0 HA LEU A 99 2.158 12.237 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.780 11.541 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.698 10.288 1.395 1.00 0.00 H new ATOM 0 HG LEU A 99 1.232 10.789 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.331 11.832 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.121 12.976 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.720 12.262 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.659 9.433 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.053 9.734 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.663 8.799 -0.481 1.00 0.00 H new ATOM 1537 N ASP A 100 3.553 14.068 1.316 1.00 0.00 N ATOM 1538 CA ASP A 100 4.060 15.408 0.983 1.00 0.00 C ATOM 1539 C ASP A 100 4.965 15.379 -0.266 1.00 0.00 C ATOM 1540 O ASP A 100 5.898 14.577 -0.350 1.00 0.00 O ATOM 1541 CB ASP A 100 4.823 15.964 2.194 1.00 0.00 C ATOM 1542 CG ASP A 100 5.528 17.277 1.905 1.00 0.00 C ATOM 1543 OD1 ASP A 100 4.842 18.301 1.717 1.00 0.00 O ATOM 1544 OD2 ASP A 100 6.775 17.296 1.871 1.00 0.00 O ATOM 0 H ASP A 100 4.261 13.443 1.702 1.00 0.00 H new ATOM 0 HA ASP A 100 3.216 16.057 0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.126 16.107 3.020 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.558 15.229 2.521 1.00 0.00 H new ATOM 1549 N LEU A 101 4.684 16.257 -1.233 1.00 0.00 N ATOM 1550 CA LEU A 101 5.453 16.311 -2.487 1.00 0.00 C ATOM 1551 C LEU A 101 6.551 17.387 -2.441 1.00 0.00 C ATOM 1552 O LEU A 101 6.421 18.398 -1.746 1.00 0.00 O ATOM 1553 CB LEU A 101 4.524 16.599 -3.674 1.00 0.00 C ATOM 1554 CG LEU A 101 3.393 15.582 -3.906 1.00 0.00 C ATOM 1555 CD1 LEU A 101 2.574 15.972 -5.132 1.00 0.00 C ATOM 1556 CD2 LEU A 101 3.946 14.168 -4.062 1.00 0.00 C ATOM 0 H LEU A 101 3.930 16.942 -1.175 1.00 0.00 H new ATOM 0 HA LEU A 101 5.927 15.337 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.077 17.583 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.129 16.653 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 101 2.744 15.593 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.777 15.244 -5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.139 16.960 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.220 15.992 -6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.123 13.472 -4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.624 14.134 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.486 13.887 -3.158 1.00 0.00 H new ATOM 1568 N ASP A 102 7.622 17.169 -3.199 1.00 0.00 N ATOM 1569 CA ASP A 102 8.721 18.136 -3.295 1.00 0.00 C ATOM 1570 C ASP A 102 8.433 19.190 -4.381 1.00 0.00 C ATOM 1571 O ASP A 102 7.441 19.091 -5.105 1.00 0.00 O ATOM 1572 CB ASP A 102 10.021 17.387 -3.615 1.00 0.00 C ATOM 1573 CG ASP A 102 11.240 18.287 -3.607 1.00 0.00 C ATOM 1574 OD1 ASP A 102 11.723 18.630 -2.515 1.00 0.00 O ATOM 1575 OD2 ASP A 102 11.703 18.676 -4.695 1.00 0.00 O ATOM 0 H ASP A 102 7.756 16.328 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 102 8.821 18.656 -2.342 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.162 16.587 -2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.931 16.915 -4.594 1.00 0.00 H new ATOM 1580 N ALA A 103 9.303 20.193 -4.498 1.00 0.00 N ATOM 1581 CA ALA A 103 9.206 21.184 -5.575 1.00 0.00 C ATOM 1582 C ALA A 103 9.297 20.517 -6.961 1.00 0.00 C ATOM 1583 O ALA A 103 8.773 21.036 -7.948 1.00 0.00 O ATOM 1584 CB ALA A 103 10.301 22.231 -5.416 1.00 0.00 C ATOM 0 H ALA A 103 10.085 20.343 -3.860 1.00 0.00 H new ATOM 0 HA ALA A 103 8.233 21.670 -5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.223 22.964 -6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.188 22.733 -4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.277 21.747 -5.460 1.00 0.00 H new ATOM 1590 N ASP A 104 9.960 19.360 -7.020 1.00 0.00 N ATOM 1591 CA ASP A 104 10.057 18.574 -8.254 1.00 0.00 C ATOM 1592 C ASP A 104 8.987 17.469 -8.291 1.00 0.00 C ATOM 1593 O ASP A 104 9.008 16.591 -9.154 1.00 0.00 O ATOM 1594 CB ASP A 104 11.453 17.951 -8.377 1.00 0.00 C ATOM 1595 CG ASP A 104 12.548 18.999 -8.466 1.00 0.00 C ATOM 1596 OD1 ASP A 104 12.506 19.826 -9.397 1.00 0.00 O ATOM 1597 OD2 ASP A 104 13.455 19.004 -7.609 1.00 0.00 O ATOM 0 H ASP A 104 10.441 18.944 -6.223 1.00 0.00 H new ATOM 0 HA ASP A 104 9.887 19.246 -9.096 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.638 17.308 -7.517 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.488 17.316 -9.263 1.00 0.00 H new ATOM 1602 N GLY A 105 8.055 17.520 -7.342 1.00 0.00 N ATOM 1603 CA GLY A 105 6.981 16.539 -7.285 1.00 0.00 C ATOM 1604 C GLY A 105 7.284 15.351 -6.375 1.00 0.00 C ATOM 1605 O GLY A 105 6.388 14.824 -5.725 1.00 0.00 O ATOM 0 H GLY A 105 8.024 18.227 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.071 17.029 -6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.781 16.173 -8.292 1.00 0.00 H new ATOM 1609 N VAL A 106 8.551 14.946 -6.313 1.00 0.00 N ATOM 1610 CA VAL A 106 8.955 13.732 -5.586 1.00 0.00 C ATOM 1611 C VAL A 106 8.480 13.739 -4.119 1.00 0.00 C ATOM 1612 O VAL A 106 8.792 14.660 -3.362 1.00 0.00 O ATOM 1613 CB VAL A 106 10.495 13.547 -5.615 1.00 0.00 C ATOM 1614 CG1 VAL A 106 10.917 12.297 -4.833 1.00 0.00 C ATOM 1615 CG2 VAL A 106 11.001 13.487 -7.056 1.00 0.00 C ATOM 0 H VAL A 106 9.324 15.441 -6.759 1.00 0.00 H new ATOM 0 HA VAL A 106 8.474 12.900 -6.100 1.00 0.00 H new ATOM 0 HB VAL A 106 10.949 14.410 -5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 106 12.001 12.193 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.597 12.392 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.452 11.416 -5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 106 12.083 13.357 -7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 106 10.534 12.647 -7.571 1.00 0.00 H new ATOM 0 HG23 VAL A 106 10.747 14.414 -7.570 1.00 0.00 H new ATOM 1625 N PRO A 107 7.707 12.717 -3.700 1.00 0.00 N ATOM 1626 CA PRO A 107 7.267 12.587 -2.300 1.00 0.00 C ATOM 1627 C PRO A 107 8.452 12.479 -1.324 1.00 0.00 C ATOM 1628 O PRO A 107 9.096 11.428 -1.224 1.00 0.00 O ATOM 1629 CB PRO A 107 6.438 11.290 -2.298 1.00 0.00 C ATOM 1630 CG PRO A 107 6.050 11.077 -3.726 1.00 0.00 C ATOM 1631 CD PRO A 107 7.186 11.627 -4.546 1.00 0.00 C ATOM 0 HA PRO A 107 6.706 13.460 -1.967 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.020 10.450 -1.918 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.559 11.384 -1.660 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.893 10.019 -3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.116 11.589 -3.958 1.00 0.00 H new ATOM 0 HD2 PRO A 107 7.945 10.870 -4.743 1.00 0.00 H new ATOM 0 HD3 PRO A 107 6.845 11.995 -5.514 1.00 0.00 H new ATOM 1639 N GLN A 108 8.743 13.570 -0.612 1.00 0.00 N ATOM 1640 CA GLN A 108 9.883 13.612 0.315 1.00 0.00 C ATOM 1641 C GLN A 108 9.583 12.865 1.619 1.00 0.00 C ATOM 1642 O GLN A 108 9.441 13.465 2.685 1.00 0.00 O ATOM 1643 CB GLN A 108 10.296 15.064 0.609 1.00 0.00 C ATOM 1644 CG GLN A 108 10.943 15.764 -0.582 1.00 0.00 C ATOM 1645 CD GLN A 108 12.223 15.080 -1.044 1.00 0.00 C ATOM 1646 OE1 GLN A 108 12.950 14.486 -0.251 1.00 0.00 O ATOM 1647 NE2 GLN A 108 12.509 15.147 -2.329 1.00 0.00 N ATOM 0 H GLN A 108 8.207 14.437 -0.657 1.00 0.00 H new ATOM 0 HA GLN A 108 10.716 13.105 -0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.416 15.628 0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 108 10.992 15.073 1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.234 15.794 -1.409 1.00 0.00 H new ATOM 0 HG3 GLN A 108 11.165 16.797 -0.314 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.887 15.647 -2.964 1.00 0.00 H new ATOM 0 HE22 GLN A 108 13.352 14.699 -2.688 1.00 0.00 H new ATOM 1656 N LEU A 109 9.464 11.547 1.517 1.00 0.00 N ATOM 1657 CA LEU A 109 9.256 10.697 2.688 1.00 0.00 C ATOM 1658 C LEU A 109 10.567 10.023 3.138 1.00 0.00 C ATOM 1659 O LEU A 109 10.563 9.190 4.044 1.00 0.00 O ATOM 1660 CB LEU A 109 8.143 9.661 2.425 1.00 0.00 C ATOM 1661 CG LEU A 109 8.261 8.850 1.123 1.00 0.00 C ATOM 1662 CD1 LEU A 109 9.438 7.884 1.173 1.00 0.00 C ATOM 1663 CD2 LEU A 109 6.963 8.105 0.829 1.00 0.00 C ATOM 0 H LEU A 109 9.508 11.040 0.633 1.00 0.00 H new ATOM 0 HA LEU A 109 8.928 11.334 3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.120 8.963 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.185 10.182 2.418 1.00 0.00 H new ATOM 0 HG LEU A 109 8.444 9.554 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.492 7.327 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 109 10.362 8.444 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.303 7.189 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.070 7.539 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.742 7.422 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.148 8.821 0.724 1.00 0.00 H new ATOM 1675 N GLY A 110 11.684 10.379 2.500 1.00 0.00 N ATOM 1676 CA GLY A 110 12.980 9.820 2.883 1.00 0.00 C ATOM 1677 C GLY A 110 13.311 10.067 4.353 1.00 0.00 C ATOM 1678 O GLY A 110 13.687 9.146 5.078 1.00 0.00 O ATOM 0 H GLY A 110 11.717 11.043 1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.981 8.747 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.760 10.258 2.260 1.00 0.00 H new ATOM 1682 N ASP A 111 13.163 11.317 4.785 1.00 0.00 N ATOM 1683 CA ASP A 111 13.322 11.692 6.198 1.00 0.00 C ATOM 1684 C ASP A 111 12.151 11.162 7.047 1.00 0.00 C ATOM 1685 O ASP A 111 12.250 11.046 8.271 1.00 0.00 O ATOM 1686 CB ASP A 111 13.400 13.217 6.318 1.00 0.00 C ATOM 1687 CG ASP A 111 14.469 13.812 5.418 1.00 0.00 C ATOM 1688 OD1 ASP A 111 14.266 13.840 4.185 1.00 0.00 O ATOM 1689 OD2 ASP A 111 15.521 14.244 5.933 1.00 0.00 O ATOM 0 H ASP A 111 12.931 12.099 4.173 1.00 0.00 H new ATOM 0 HA ASP A 111 14.243 11.245 6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 111 12.432 13.649 6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 111 13.608 13.488 7.353 1.00 0.00 H new ATOM 1694 N HIS A 112 11.049 10.847 6.371 1.00 0.00 N ATOM 1695 CA HIS A 112 9.831 10.324 7.004 1.00 0.00 C ATOM 1696 C HIS A 112 9.986 8.838 7.375 1.00 0.00 C ATOM 1697 O HIS A 112 9.382 8.361 8.336 1.00 0.00 O ATOM 1698 CB HIS A 112 8.665 10.515 6.021 1.00 0.00 C ATOM 1699 CG HIS A 112 7.333 9.996 6.471 1.00 0.00 C ATOM 1700 ND1 HIS A 112 6.698 10.411 7.620 1.00 0.00 N ATOM 1701 CD2 HIS A 112 6.500 9.101 5.886 1.00 0.00 C ATOM 1702 CE1 HIS A 112 5.535 9.794 7.726 1.00 0.00 C ATOM 1703 NE2 HIS A 112 5.389 8.993 6.686 1.00 0.00 N ATOM 0 H HIS A 112 10.971 10.947 5.359 1.00 0.00 H new ATOM 0 HA HIS A 112 9.640 10.866 7.930 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.565 11.580 5.810 1.00 0.00 H new ATOM 0 HB3 HIS A 112 8.924 10.027 5.082 1.00 0.00 H new ATOM 0 HD2 HIS A 112 6.677 8.571 4.962 1.00 0.00 H new ATOM 0 HE1 HIS A 112 4.823 9.923 8.528 1.00 0.00 H new ATOM 0 HE2 HIS A 112 4.584 8.393 6.507 1.00 0.00 H new ATOM 1712 N LEU A 113 10.794 8.115 6.599 1.00 0.00 N ATOM 1713 CA LEU A 113 11.028 6.682 6.825 1.00 0.00 C ATOM 1714 C LEU A 113 12.407 6.439 7.470 1.00 0.00 C ATOM 1715 O LEU A 113 12.899 7.277 8.228 1.00 0.00 O ATOM 1716 CB LEU A 113 10.917 5.917 5.496 1.00 0.00 C ATOM 1717 CG LEU A 113 9.607 6.123 4.715 1.00 0.00 C ATOM 1718 CD1 LEU A 113 9.519 5.152 3.539 1.00 0.00 C ATOM 1719 CD2 LEU A 113 8.394 5.984 5.629 1.00 0.00 C ATOM 0 H LEU A 113 11.302 8.499 5.802 1.00 0.00 H new ATOM 0 HA LEU A 113 10.267 6.315 7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.750 6.212 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.033 4.853 5.700 1.00 0.00 H new ATOM 0 HG LEU A 113 9.609 7.138 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.585 5.316 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.360 5.319 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.549 4.128 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.483 6.135 5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.383 4.987 6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.448 6.731 6.421 1.00 0.00 H new ATOM 1731 N ALA A 114 13.020 5.288 7.176 1.00 0.00 N ATOM 1732 CA ALA A 114 14.316 4.927 7.759 1.00 0.00 C ATOM 1733 C ALA A 114 15.418 5.936 7.385 1.00 0.00 C ATOM 1734 O ALA A 114 15.740 6.115 6.210 1.00 0.00 O ATOM 1735 CB ALA A 114 14.717 3.521 7.318 1.00 0.00 C ATOM 0 H ALA A 114 12.639 4.590 6.537 1.00 0.00 H new ATOM 0 HA ALA A 114 14.206 4.950 8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.681 3.263 7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 114 13.964 2.807 7.651 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.793 3.488 6.231 1.00 0.00 H new ATOM 1741 N LEU A 115 15.990 6.588 8.396 1.00 0.00 N ATOM 1742 CA LEU A 115 17.078 7.558 8.193 1.00 0.00 C ATOM 1743 C LEU A 115 18.443 6.841 8.129 1.00 0.00 C ATOM 1744 O LEU A 115 19.471 7.448 7.804 1.00 0.00 O ATOM 1745 CB LEU A 115 17.037 8.600 9.333 1.00 0.00 C ATOM 1746 CG LEU A 115 17.997 9.808 9.211 1.00 0.00 C ATOM 1747 CD1 LEU A 115 17.379 11.054 9.843 1.00 0.00 C ATOM 1748 CD2 LEU A 115 19.344 9.516 9.872 1.00 0.00 C ATOM 0 H LEU A 115 15.720 6.465 9.372 1.00 0.00 H new ATOM 0 HA LEU A 115 16.943 8.071 7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 115 16.019 8.982 9.407 1.00 0.00 H new ATOM 0 HB3 LEU A 115 17.254 8.087 10.270 1.00 0.00 H new ATOM 0 HG LEU A 115 18.162 9.987 8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 115 18.070 11.892 9.747 1.00 0.00 H new ATOM 0 HD12 LEU A 115 16.445 11.294 9.336 1.00 0.00 H new ATOM 0 HD13 LEU A 115 17.181 10.867 10.898 1.00 0.00 H new ATOM 0 HD21 LEU A 115 19.996 10.384 9.769 1.00 0.00 H new ATOM 0 HD22 LEU A 115 19.191 9.300 10.929 1.00 0.00 H new ATOM 0 HD23 LEU A 115 19.807 8.655 9.389 1.00 0.00 H new ATOM 1760 N GLU A 116 18.431 5.535 8.422 1.00 0.00 N ATOM 1761 CA GLU A 116 19.644 4.698 8.425 1.00 0.00 C ATOM 1762 C GLU A 116 20.582 5.088 9.576 1.00 0.00 C ATOM 1763 O GLU A 116 20.603 4.448 10.632 1.00 0.00 O ATOM 1764 CB GLU A 116 20.412 4.814 7.093 1.00 0.00 C ATOM 1765 CG GLU A 116 19.584 4.544 5.844 1.00 0.00 C ATOM 1766 CD GLU A 116 20.320 4.968 4.582 1.00 0.00 C ATOM 1767 OE1 GLU A 116 21.066 4.145 4.014 1.00 0.00 O ATOM 1768 OE2 GLU A 116 20.187 6.147 4.179 1.00 0.00 O ATOM 0 H GLU A 116 17.581 5.025 8.664 1.00 0.00 H new ATOM 0 HA GLU A 116 19.315 3.667 8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 116 20.834 5.817 7.021 1.00 0.00 H new ATOM 0 HB3 GLU A 116 21.250 4.117 7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 116 19.346 3.482 5.787 1.00 0.00 H new ATOM 0 HG3 GLU A 116 18.637 5.080 5.911 1.00 0.00 H new TER 1775 GLU A 116