USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 424 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 16 TYR OH : rot 39:sc= 0.607 USER MOD Set 1.2: A 42 MET CE :methyl -163:sc= -0.422 (180deg=-1.04) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 154:sc= -3.01! (180deg=-3.82!) USER MOD Single : A 11 THR OG1 : rot 138:sc= 0.612 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 25 CYS SG : rot 27:sc= 0.128 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -3.95! C(o=-3.9!,f=-10!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 38 ASN : amide:sc= -4.7! C(o=-4.7!,f=-16!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -1.21! C(o=-1.2!,f=-2.6!) USER MOD Single : A 43 CYS SG : rot 180:sc= -2.39! USER MOD Single : A 46 TYR OH : rot 180:sc= -0.217 USER MOD Single : A 47 GLN : amide:sc= -2.02 K(o=-2,f=-3!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 2.221 5.769 -6.952 1.00 0.00 N ATOM 67 CA SER A 8 2.527 6.934 -6.130 1.00 0.00 C ATOM 68 C SER A 8 3.297 6.528 -4.878 1.00 0.00 C ATOM 69 O SER A 8 2.843 5.688 -4.099 1.00 0.00 O ATOM 70 CB SER A 8 1.238 7.659 -5.738 1.00 0.00 C ATOM 71 OG SER A 8 0.678 8.340 -6.847 1.00 0.00 O ATOM 0 HA SER A 8 3.151 7.609 -6.716 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.518 6.941 -5.347 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.446 8.370 -4.938 1.00 0.00 H new ATOM 0 HG SER A 8 -0.146 8.794 -6.571 1.00 0.00 H new ATOM 77 N THR A 9 4.467 7.130 -4.689 1.00 0.00 N ATOM 78 CA THR A 9 5.303 6.832 -3.533 1.00 0.00 C ATOM 79 C THR A 9 4.813 7.574 -2.295 1.00 0.00 C ATOM 80 O THR A 9 4.742 8.803 -2.284 1.00 0.00 O ATOM 81 CB THR A 9 6.775 7.204 -3.792 1.00 0.00 C ATOM 82 OG1 THR A 9 7.203 6.664 -5.047 1.00 0.00 O ATOM 83 CG2 THR A 9 7.669 6.683 -2.678 1.00 0.00 C ATOM 0 H THR A 9 4.857 7.828 -5.323 1.00 0.00 H new ATOM 0 HA THR A 9 5.233 5.758 -3.361 1.00 0.00 H new ATOM 0 HB THR A 9 6.853 8.291 -3.819 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.139 6.906 -5.205 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.704 6.958 -2.883 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.359 7.119 -1.729 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.586 5.598 -2.623 1.00 0.00 H new ATOM 91 N MET A 10 4.478 6.821 -1.253 1.00 0.00 N ATOM 92 CA MET A 10 3.997 7.409 -0.008 1.00 0.00 C ATOM 93 C MET A 10 4.899 7.024 1.160 1.00 0.00 C ATOM 94 O MET A 10 5.427 5.913 1.210 1.00 0.00 O ATOM 95 CB MET A 10 2.561 6.960 0.272 1.00 0.00 C ATOM 96 CG MET A 10 1.603 7.236 -0.876 1.00 0.00 C ATOM 97 SD MET A 10 0.850 8.871 -0.776 1.00 0.00 S ATOM 98 CE MET A 10 -0.456 8.569 0.412 1.00 0.00 C ATOM 0 H MET A 10 4.531 5.802 -1.246 1.00 0.00 H new ATOM 0 HA MET A 10 4.017 8.493 -0.117 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.559 5.892 0.487 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.199 7.466 1.167 1.00 0.00 H new ATOM 0 HG2 MET A 10 2.139 7.144 -1.821 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.819 6.479 -0.879 1.00 0.00 H new ATOM 0 HE1 MET A 10 -0.705 9.499 0.924 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.338 8.192 -0.105 1.00 0.00 H new ATOM 0 HE3 MET A 10 -0.121 7.832 1.142 1.00 0.00 H new ATOM 108 N THR A 11 5.072 7.949 2.099 1.00 0.00 N ATOM 109 CA THR A 11 5.912 7.707 3.265 1.00 0.00 C ATOM 110 C THR A 11 5.066 7.474 4.512 1.00 0.00 C ATOM 111 O THR A 11 4.198 8.280 4.846 1.00 0.00 O ATOM 112 CB THR A 11 6.871 8.885 3.522 1.00 0.00 C ATOM 113 OG1 THR A 11 7.663 9.135 2.355 1.00 0.00 O ATOM 114 CG2 THR A 11 7.780 8.594 4.706 1.00 0.00 C ATOM 0 H THR A 11 4.641 8.873 2.074 1.00 0.00 H new ATOM 0 HA THR A 11 6.497 6.812 3.053 1.00 0.00 H new ATOM 0 HB THR A 11 6.274 9.768 3.751 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.727 10.101 2.204 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.448 9.440 4.868 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.175 8.433 5.598 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.369 7.700 4.501 1.00 0.00 H new ATOM 122 N VAL A 12 5.326 6.365 5.198 1.00 0.00 N ATOM 123 CA VAL A 12 4.590 6.027 6.410 1.00 0.00 C ATOM 124 C VAL A 12 4.714 7.130 7.455 1.00 0.00 C ATOM 125 O VAL A 12 5.789 7.698 7.648 1.00 0.00 O ATOM 126 CB VAL A 12 5.088 4.702 7.018 1.00 0.00 C ATOM 127 CG1 VAL A 12 4.259 4.328 8.237 1.00 0.00 C ATOM 128 CG2 VAL A 12 5.051 3.592 5.978 1.00 0.00 C ATOM 0 H VAL A 12 6.040 5.686 4.935 1.00 0.00 H new ATOM 0 HA VAL A 12 3.544 5.917 6.124 1.00 0.00 H new ATOM 0 HB VAL A 12 6.121 4.836 7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.626 3.389 8.652 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.341 5.114 8.988 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.215 4.212 7.946 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.406 2.663 6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.028 3.458 5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.692 3.859 5.138 1.00 0.00 H new ATOM 138 N ILE A 13 3.607 7.428 8.127 1.00 0.00 N ATOM 139 CA ILE A 13 3.592 8.463 9.153 1.00 0.00 C ATOM 140 C ILE A 13 3.390 7.860 10.539 1.00 0.00 C ATOM 141 O ILE A 13 3.872 8.395 11.538 1.00 0.00 O ATOM 142 CB ILE A 13 2.485 9.501 8.891 1.00 0.00 C ATOM 143 CG1 ILE A 13 1.132 8.805 8.726 1.00 0.00 C ATOM 144 CG2 ILE A 13 2.815 10.328 7.657 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.046 9.751 8.788 1.00 0.00 C ATOM 0 H ILE A 13 2.709 6.967 7.979 1.00 0.00 H new ATOM 0 HA ILE A 13 4.561 8.960 9.113 1.00 0.00 H new ATOM 0 HB ILE A 13 2.426 10.171 9.748 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.117 8.281 7.771 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.023 8.051 9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.023 11.057 7.485 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.760 10.848 7.810 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.898 9.672 6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.971 9.188 8.664 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.056 10.257 9.753 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.039 10.490 7.992 1.00 0.00 H new ATOM 157 N LYS A 14 2.676 6.741 10.593 1.00 0.00 N ATOM 158 CA LYS A 14 2.411 6.061 11.855 1.00 0.00 C ATOM 159 C LYS A 14 2.654 4.561 11.727 1.00 0.00 C ATOM 160 O LYS A 14 2.392 3.967 10.680 1.00 0.00 O ATOM 161 CB LYS A 14 0.971 6.318 12.305 1.00 0.00 C ATOM 162 CG LYS A 14 0.628 7.793 12.430 1.00 0.00 C ATOM 163 CD LYS A 14 -0.875 8.011 12.496 1.00 0.00 C ATOM 164 CE LYS A 14 -1.231 9.482 12.342 1.00 0.00 C ATOM 165 NZ LYS A 14 -2.705 9.693 12.292 1.00 0.00 N ATOM 0 H LYS A 14 2.270 6.285 9.776 1.00 0.00 H new ATOM 0 HA LYS A 14 3.096 6.460 12.603 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.288 5.854 11.593 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.807 5.832 13.267 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.096 8.202 13.326 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.039 8.337 11.579 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.363 7.433 11.711 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.256 7.641 13.448 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.811 10.046 13.175 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.777 9.872 11.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.907 10.708 12.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.103 9.175 11.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.136 9.344 13.172 1.00 0.00 H new ATOM 179 N ASP A 15 3.154 3.953 12.797 1.00 0.00 N ATOM 180 CA ASP A 15 3.430 2.521 12.804 1.00 0.00 C ATOM 181 C ASP A 15 2.163 1.722 12.513 1.00 0.00 C ATOM 182 O ASP A 15 1.052 2.187 12.767 1.00 0.00 O ATOM 183 CB ASP A 15 4.015 2.099 14.153 1.00 0.00 C ATOM 184 CG ASP A 15 3.342 2.796 15.319 1.00 0.00 C ATOM 185 OD1 ASP A 15 2.094 2.807 15.364 1.00 0.00 O ATOM 186 OD2 ASP A 15 4.063 3.329 16.187 1.00 0.00 O ATOM 0 H ASP A 15 3.377 4.429 13.671 1.00 0.00 H new ATOM 0 HA ASP A 15 4.158 2.313 12.020 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.911 1.020 14.269 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.082 2.320 14.168 1.00 0.00 H new ATOM 191 N TYR A 16 2.339 0.519 11.977 1.00 0.00 N ATOM 192 CA TYR A 16 1.210 -0.343 11.648 1.00 0.00 C ATOM 193 C TYR A 16 1.606 -1.814 11.728 1.00 0.00 C ATOM 194 O TYR A 16 2.732 -2.184 11.394 1.00 0.00 O ATOM 195 CB TYR A 16 0.685 -0.019 10.248 1.00 0.00 C ATOM 196 CG TYR A 16 -0.307 -1.033 9.724 1.00 0.00 C ATOM 197 CD1 TYR A 16 0.121 -2.161 9.035 1.00 0.00 C ATOM 198 CD2 TYR A 16 -1.672 -0.862 9.917 1.00 0.00 C ATOM 199 CE1 TYR A 16 -0.781 -3.089 8.553 1.00 0.00 C ATOM 200 CE2 TYR A 16 -2.582 -1.786 9.440 1.00 0.00 C ATOM 201 CZ TYR A 16 -2.132 -2.898 8.759 1.00 0.00 C ATOM 202 OH TYR A 16 -3.035 -3.819 8.282 1.00 0.00 O ATOM 0 H TYR A 16 3.252 0.119 11.761 1.00 0.00 H new ATOM 0 HA TYR A 16 0.420 -0.159 12.376 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.213 0.964 10.264 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.527 0.043 9.559 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.178 -2.315 8.874 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.028 0.008 10.449 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.431 -3.959 8.018 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.640 -1.638 9.600 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.674 -4.722 8.400 1.00 0.00 H new ATOM 212 N TYR A 17 0.672 -2.647 12.172 1.00 0.00 N ATOM 213 CA TYR A 17 0.923 -4.078 12.298 1.00 0.00 C ATOM 214 C TYR A 17 0.137 -4.863 11.252 1.00 0.00 C ATOM 215 O TYR A 17 -1.040 -4.595 11.013 1.00 0.00 O ATOM 216 CB TYR A 17 0.550 -4.561 13.701 1.00 0.00 C ATOM 217 CG TYR A 17 0.830 -3.546 14.785 1.00 0.00 C ATOM 218 CD1 TYR A 17 -0.074 -2.526 15.059 1.00 0.00 C ATOM 219 CD2 TYR A 17 1.997 -3.605 15.535 1.00 0.00 C ATOM 220 CE1 TYR A 17 0.178 -1.595 16.048 1.00 0.00 C ATOM 221 CE2 TYR A 17 2.257 -2.680 16.528 1.00 0.00 C ATOM 222 CZ TYR A 17 1.344 -1.677 16.780 1.00 0.00 C ATOM 223 OH TYR A 17 1.600 -0.752 17.767 1.00 0.00 O ATOM 0 H TYR A 17 -0.265 -2.357 12.451 1.00 0.00 H new ATOM 0 HA TYR A 17 1.986 -4.251 12.132 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.510 -4.816 13.719 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.101 -5.475 13.920 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.989 -2.460 14.489 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.714 -4.388 15.339 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.534 -0.808 16.247 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.169 -2.742 17.103 1.00 0.00 H new ATOM 0 HH TYR A 17 2.462 -0.952 18.187 1.00 0.00 H new ATOM 233 N ALA A 18 0.798 -5.835 10.631 1.00 0.00 N ATOM 234 CA ALA A 18 0.163 -6.661 9.612 1.00 0.00 C ATOM 235 C ALA A 18 -0.735 -7.719 10.245 1.00 0.00 C ATOM 236 O ALA A 18 -0.252 -8.717 10.783 1.00 0.00 O ATOM 237 CB ALA A 18 1.216 -7.317 8.732 1.00 0.00 C ATOM 0 H ALA A 18 1.773 -6.069 10.816 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.460 -6.016 8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.727 -7.931 7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.813 -6.547 8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.863 -7.944 9.345 1.00 0.00 H new ATOM 243 N LEU A 19 -2.043 -7.496 10.178 1.00 0.00 N ATOM 244 CA LEU A 19 -3.008 -8.430 10.746 1.00 0.00 C ATOM 245 C LEU A 19 -3.271 -9.589 9.790 1.00 0.00 C ATOM 246 O LEU A 19 -3.339 -10.747 10.203 1.00 0.00 O ATOM 247 CB LEU A 19 -4.319 -7.709 11.064 1.00 0.00 C ATOM 248 CG LEU A 19 -4.379 -6.990 12.412 1.00 0.00 C ATOM 249 CD1 LEU A 19 -4.390 -7.994 13.554 1.00 0.00 C ATOM 250 CD2 LEU A 19 -3.208 -6.029 12.556 1.00 0.00 C ATOM 0 H LEU A 19 -2.459 -6.676 9.736 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.588 -8.832 11.668 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.509 -6.979 10.277 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.129 -8.437 11.027 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.304 -6.414 12.454 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.433 -7.463 14.505 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.262 -8.642 13.461 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.483 -8.598 13.516 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.267 -5.526 13.521 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.272 -6.584 12.492 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.245 -5.288 11.758 1.00 0.00 H new ATOM 262 N LYS A 20 -3.417 -9.270 8.508 1.00 0.00 N ATOM 263 CA LYS A 20 -3.669 -10.284 7.491 1.00 0.00 C ATOM 264 C LYS A 20 -2.359 -10.850 6.950 1.00 0.00 C ATOM 265 O LYS A 20 -1.283 -10.328 7.237 1.00 0.00 O ATOM 266 CB LYS A 20 -4.493 -9.692 6.345 1.00 0.00 C ATOM 267 CG LYS A 20 -5.937 -9.408 6.718 1.00 0.00 C ATOM 268 CD LYS A 20 -6.748 -10.688 6.823 1.00 0.00 C ATOM 269 CE LYS A 20 -7.996 -10.490 7.671 1.00 0.00 C ATOM 270 NZ LYS A 20 -8.583 -11.787 8.105 1.00 0.00 N ATOM 0 H LYS A 20 -3.365 -8.317 8.149 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.231 -11.095 7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.024 -8.766 6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.473 -10.381 5.501 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.970 -8.876 7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.385 -8.753 5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.034 -11.022 5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.132 -11.475 7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.748 -9.892 8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.737 -9.929 7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.431 -11.609 8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.843 -12.347 7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.885 -12.312 8.670 1.00 0.00 H new ATOM 284 N GLU A 21 -2.461 -11.919 6.166 1.00 0.00 N ATOM 285 CA GLU A 21 -1.283 -12.553 5.586 1.00 0.00 C ATOM 286 C GLU A 21 -0.723 -11.716 4.439 1.00 0.00 C ATOM 287 O GLU A 21 0.466 -11.782 4.132 1.00 0.00 O ATOM 288 CB GLU A 21 -1.628 -13.957 5.085 1.00 0.00 C ATOM 289 CG GLU A 21 -2.817 -13.991 4.139 1.00 0.00 C ATOM 290 CD GLU A 21 -4.140 -14.118 4.870 1.00 0.00 C ATOM 291 OE1 GLU A 21 -4.504 -15.252 5.248 1.00 0.00 O ATOM 292 OE2 GLU A 21 -4.811 -13.083 5.065 1.00 0.00 O ATOM 0 H GLU A 21 -3.345 -12.363 5.918 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.522 -12.628 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.759 -14.376 4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.837 -14.598 5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.824 -13.082 3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.705 -14.828 3.450 1.00 0.00 H new ATOM 299 N ASN A 22 -1.590 -10.929 3.811 1.00 0.00 N ATOM 300 CA ASN A 22 -1.183 -10.079 2.698 1.00 0.00 C ATOM 301 C ASN A 22 -0.576 -8.773 3.204 1.00 0.00 C ATOM 302 O ASN A 22 0.283 -8.183 2.550 1.00 0.00 O ATOM 303 CB ASN A 22 -2.379 -9.781 1.792 1.00 0.00 C ATOM 304 CG ASN A 22 -2.635 -10.890 0.790 1.00 0.00 C ATOM 305 OD1 ASN A 22 -2.595 -12.072 1.131 1.00 0.00 O ATOM 306 ND2 ASN A 22 -2.900 -10.512 -0.456 1.00 0.00 N ATOM 0 H ASN A 22 -2.578 -10.862 4.054 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.426 -10.613 2.124 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.269 -9.636 2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.204 -8.847 1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.081 -11.213 -1.174 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.923 -9.520 -0.694 1.00 0.00 H new ATOM 313 N GLU A 23 -1.031 -8.330 4.372 1.00 0.00 N ATOM 314 CA GLU A 23 -0.533 -7.094 4.965 1.00 0.00 C ATOM 315 C GLU A 23 0.876 -7.286 5.519 1.00 0.00 C ATOM 316 O GLU A 23 1.238 -8.377 5.961 1.00 0.00 O ATOM 317 CB GLU A 23 -1.470 -6.623 6.078 1.00 0.00 C ATOM 318 CG GLU A 23 -2.864 -6.266 5.590 1.00 0.00 C ATOM 319 CD GLU A 23 -3.921 -6.443 6.662 1.00 0.00 C ATOM 320 OE1 GLU A 23 -3.575 -6.354 7.858 1.00 0.00 O ATOM 321 OE2 GLU A 23 -5.096 -6.670 6.305 1.00 0.00 O ATOM 0 H GLU A 23 -1.742 -8.808 4.926 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.498 -6.335 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.548 -7.407 6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.031 -5.753 6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.871 -5.232 5.246 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.115 -6.889 4.731 1.00 0.00 H new ATOM 328 N ILE A 24 1.667 -6.218 5.490 1.00 0.00 N ATOM 329 CA ILE A 24 3.035 -6.268 5.990 1.00 0.00 C ATOM 330 C ILE A 24 3.239 -5.282 7.135 1.00 0.00 C ATOM 331 O ILE A 24 2.431 -4.375 7.338 1.00 0.00 O ATOM 332 CB ILE A 24 4.053 -5.960 4.875 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.700 -4.642 4.183 1.00 0.00 C ATOM 334 CG2 ILE A 24 4.096 -7.099 3.868 1.00 0.00 C ATOM 335 CD1 ILE A 24 4.422 -4.437 2.870 1.00 0.00 C ATOM 0 H ILE A 24 1.384 -5.308 5.126 1.00 0.00 H new ATOM 0 HA ILE A 24 3.201 -7.282 6.353 1.00 0.00 H new ATOM 0 HB ILE A 24 5.042 -5.860 5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.625 -4.610 4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.937 -3.815 4.852 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.820 -6.867 3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.390 -8.020 4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.110 -7.228 3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.123 -3.483 2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.498 -4.436 3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.165 -5.244 2.184 1.00 0.00 H new ATOM 347 N CYS A 25 4.323 -5.466 7.880 1.00 0.00 N ATOM 348 CA CYS A 25 4.634 -4.592 9.006 1.00 0.00 C ATOM 349 C CYS A 25 5.447 -3.385 8.549 1.00 0.00 C ATOM 350 O CYS A 25 6.423 -3.523 7.812 1.00 0.00 O ATOM 351 CB CYS A 25 5.404 -5.363 10.079 1.00 0.00 C ATOM 352 SG CYS A 25 6.978 -6.047 9.511 1.00 0.00 S ATOM 0 H CYS A 25 5.001 -6.212 7.725 1.00 0.00 H new ATOM 0 HA CYS A 25 3.694 -4.236 9.428 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.592 -4.700 10.923 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.778 -6.176 10.446 1.00 0.00 H new ATOM 0 HG CYS A 25 7.441 -5.321 8.537 1.00 0.00 H new ATOM 358 N VAL A 26 5.035 -2.200 8.989 1.00 0.00 N ATOM 359 CA VAL A 26 5.724 -0.967 8.625 1.00 0.00 C ATOM 360 C VAL A 26 5.788 -0.005 9.805 1.00 0.00 C ATOM 361 O VAL A 26 5.009 -0.114 10.752 1.00 0.00 O ATOM 362 CB VAL A 26 5.031 -0.266 7.441 1.00 0.00 C ATOM 363 CG1 VAL A 26 4.862 -1.227 6.275 1.00 0.00 C ATOM 364 CG2 VAL A 26 3.687 0.303 7.873 1.00 0.00 C ATOM 0 H VAL A 26 4.228 -2.068 9.598 1.00 0.00 H new ATOM 0 HA VAL A 26 6.736 -1.244 8.331 1.00 0.00 H new ATOM 0 HB VAL A 26 5.661 0.560 7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.371 -0.713 5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.840 -1.582 5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.254 -2.075 6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.211 0.795 7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.048 -0.505 8.230 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.839 1.027 8.674 1.00 0.00 H new ATOM 374 N SER A 27 6.723 0.939 9.741 1.00 0.00 N ATOM 375 CA SER A 27 6.892 1.920 10.807 1.00 0.00 C ATOM 376 C SER A 27 7.024 3.327 10.233 1.00 0.00 C ATOM 377 O SER A 27 7.484 3.508 9.106 1.00 0.00 O ATOM 378 CB SER A 27 8.124 1.582 11.649 1.00 0.00 C ATOM 379 OG SER A 27 7.959 2.012 12.989 1.00 0.00 O ATOM 0 H SER A 27 7.374 1.045 8.963 1.00 0.00 H new ATOM 0 HA SER A 27 6.007 1.887 11.442 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.299 0.506 11.628 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.005 2.057 11.217 1.00 0.00 H new ATOM 0 HG SER A 27 8.759 1.783 13.507 1.00 0.00 H new ATOM 385 N GLN A 28 6.618 4.320 11.018 1.00 0.00 N ATOM 386 CA GLN A 28 6.691 5.712 10.588 1.00 0.00 C ATOM 387 C GLN A 28 8.051 6.021 9.972 1.00 0.00 C ATOM 388 O GLN A 28 9.091 5.755 10.573 1.00 0.00 O ATOM 389 CB GLN A 28 6.429 6.647 11.770 1.00 0.00 C ATOM 390 CG GLN A 28 6.826 8.090 11.504 1.00 0.00 C ATOM 391 CD GLN A 28 8.305 8.338 11.726 1.00 0.00 C ATOM 392 OE1 GLN A 28 9.107 8.256 10.795 1.00 0.00 O ATOM 393 NE2 GLN A 28 8.675 8.644 12.964 1.00 0.00 N ATOM 0 H GLN A 28 6.235 4.187 11.954 1.00 0.00 H new ATOM 0 HA GLN A 28 5.925 5.872 9.830 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.369 6.611 12.023 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.977 6.283 12.639 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.568 8.351 10.478 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.249 8.747 12.155 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.977 8.701 13.705 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.657 8.822 13.173 1.00 0.00 H new ATOM 402 N GLY A 29 8.035 6.584 8.767 1.00 0.00 N ATOM 403 CA GLY A 29 9.273 6.920 8.089 1.00 0.00 C ATOM 404 C GLY A 29 9.495 6.088 6.841 1.00 0.00 C ATOM 405 O GLY A 29 10.019 6.582 5.844 1.00 0.00 O ATOM 0 H GLY A 29 7.187 6.813 8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.261 7.976 7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.109 6.774 8.773 1.00 0.00 H new ATOM 409 N GLU A 30 9.096 4.821 6.898 1.00 0.00 N ATOM 410 CA GLU A 30 9.257 3.919 5.764 1.00 0.00 C ATOM 411 C GLU A 30 8.672 4.531 4.494 1.00 0.00 C ATOM 412 O GLU A 30 7.762 5.358 4.553 1.00 0.00 O ATOM 413 CB GLU A 30 8.583 2.576 6.053 1.00 0.00 C ATOM 414 CG GLU A 30 9.476 1.594 6.793 1.00 0.00 C ATOM 415 CD GLU A 30 9.160 0.150 6.456 1.00 0.00 C ATOM 416 OE1 GLU A 30 8.053 -0.313 6.804 1.00 0.00 O ATOM 417 OE2 GLU A 30 10.020 -0.518 5.844 1.00 0.00 O ATOM 0 H GLU A 30 8.660 4.397 7.716 1.00 0.00 H new ATOM 0 HA GLU A 30 10.324 3.757 5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.682 2.750 6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.266 2.128 5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.518 1.801 6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.365 1.745 7.867 1.00 0.00 H new ATOM 424 N VAL A 31 9.202 4.119 3.347 1.00 0.00 N ATOM 425 CA VAL A 31 8.733 4.626 2.063 1.00 0.00 C ATOM 426 C VAL A 31 8.358 3.484 1.125 1.00 0.00 C ATOM 427 O VAL A 31 9.194 2.648 0.781 1.00 0.00 O ATOM 428 CB VAL A 31 9.800 5.504 1.383 1.00 0.00 C ATOM 429 CG1 VAL A 31 9.300 6.005 0.036 1.00 0.00 C ATOM 430 CG2 VAL A 31 10.186 6.667 2.284 1.00 0.00 C ATOM 0 H VAL A 31 9.956 3.436 3.281 1.00 0.00 H new ATOM 0 HA VAL A 31 7.849 5.231 2.265 1.00 0.00 H new ATOM 0 HB VAL A 31 10.689 4.897 1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.067 6.624 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.078 5.155 -0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.396 6.596 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.941 7.277 1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.306 7.276 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.589 6.283 3.221 1.00 0.00 H new ATOM 440 N VAL A 32 7.094 3.454 0.714 1.00 0.00 N ATOM 441 CA VAL A 32 6.607 2.415 -0.185 1.00 0.00 C ATOM 442 C VAL A 32 5.949 3.021 -1.420 1.00 0.00 C ATOM 443 O VAL A 32 5.931 4.240 -1.589 1.00 0.00 O ATOM 444 CB VAL A 32 5.597 1.490 0.520 1.00 0.00 C ATOM 445 CG1 VAL A 32 6.245 0.798 1.709 1.00 0.00 C ATOM 446 CG2 VAL A 32 4.369 2.277 0.954 1.00 0.00 C ATOM 0 H VAL A 32 6.389 4.138 0.990 1.00 0.00 H new ATOM 0 HA VAL A 32 7.474 1.828 -0.489 1.00 0.00 H new ATOM 0 HB VAL A 32 5.279 0.723 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.516 0.149 2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.091 0.201 1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.594 1.547 2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.665 1.609 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.668 3.067 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.893 2.720 0.079 1.00 0.00 H new ATOM 456 N GLN A 33 5.411 2.162 -2.279 1.00 0.00 N ATOM 457 CA GLN A 33 4.752 2.613 -3.498 1.00 0.00 C ATOM 458 C GLN A 33 3.385 1.954 -3.655 1.00 0.00 C ATOM 459 O GLN A 33 3.279 0.729 -3.714 1.00 0.00 O ATOM 460 CB GLN A 33 5.623 2.305 -4.718 1.00 0.00 C ATOM 461 CG GLN A 33 6.724 3.327 -4.952 1.00 0.00 C ATOM 462 CD GLN A 33 7.852 2.783 -5.806 1.00 0.00 C ATOM 463 OE1 GLN A 33 7.665 1.838 -6.574 1.00 0.00 O ATOM 464 NE2 GLN A 33 9.032 3.378 -5.678 1.00 0.00 N ATOM 0 H GLN A 33 5.419 1.150 -2.153 1.00 0.00 H new ATOM 0 HA GLN A 33 4.609 3.691 -3.425 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.073 1.320 -4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.989 2.256 -5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.300 4.208 -5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.124 3.651 -3.991 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.142 4.158 -5.030 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.828 3.055 -6.228 1.00 0.00 H new ATOM 473 N VAL A 34 2.342 2.774 -3.722 1.00 0.00 N ATOM 474 CA VAL A 34 0.982 2.271 -3.873 1.00 0.00 C ATOM 475 C VAL A 34 0.788 1.610 -5.233 1.00 0.00 C ATOM 476 O VAL A 34 1.344 2.056 -6.237 1.00 0.00 O ATOM 477 CB VAL A 34 -0.055 3.398 -3.710 1.00 0.00 C ATOM 478 CG1 VAL A 34 -1.465 2.857 -3.895 1.00 0.00 C ATOM 479 CG2 VAL A 34 0.094 4.066 -2.351 1.00 0.00 C ATOM 0 H VAL A 34 2.413 3.790 -3.674 1.00 0.00 H new ATOM 0 HA VAL A 34 0.830 1.531 -3.087 1.00 0.00 H new ATOM 0 HB VAL A 34 0.125 4.148 -4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.184 3.667 -3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.562 2.429 -4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.660 2.087 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.646 4.860 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.059 3.328 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.094 4.490 -2.262 1.00 0.00 H new ATOM 489 N LEU A 35 -0.005 0.544 -5.259 1.00 0.00 N ATOM 490 CA LEU A 35 -0.273 -0.179 -6.497 1.00 0.00 C ATOM 491 C LEU A 35 -1.767 -0.193 -6.807 1.00 0.00 C ATOM 492 O LEU A 35 -2.173 -0.053 -7.960 1.00 0.00 O ATOM 493 CB LEU A 35 0.252 -1.613 -6.397 1.00 0.00 C ATOM 494 CG LEU A 35 1.723 -1.763 -6.008 1.00 0.00 C ATOM 495 CD1 LEU A 35 2.136 -3.226 -6.040 1.00 0.00 C ATOM 496 CD2 LEU A 35 2.606 -0.937 -6.932 1.00 0.00 C ATOM 0 H LEU A 35 -0.473 0.162 -4.437 1.00 0.00 H new ATOM 0 HA LEU A 35 0.243 0.335 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.353 -2.150 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.099 -2.103 -7.359 1.00 0.00 H new ATOM 0 HG LEU A 35 1.850 -1.393 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.186 -3.314 -5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.525 -3.792 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.994 -3.622 -7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.649 -1.056 -6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.476 -1.277 -7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.326 0.114 -6.859 1.00 0.00 H new ATOM 508 N ALA A 36 -2.580 -0.361 -5.768 1.00 0.00 N ATOM 509 CA ALA A 36 -4.028 -0.388 -5.929 1.00 0.00 C ATOM 510 C ALA A 36 -4.731 -0.344 -4.576 1.00 0.00 C ATOM 511 O ALA A 36 -4.086 -0.238 -3.533 1.00 0.00 O ATOM 512 CB ALA A 36 -4.450 -1.628 -6.704 1.00 0.00 C ATOM 0 H ALA A 36 -2.260 -0.480 -4.807 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.323 0.497 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.534 -1.635 -6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.983 -1.618 -7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.136 -2.520 -6.162 1.00 0.00 H new ATOM 518 N VAL A 37 -6.058 -0.425 -4.601 1.00 0.00 N ATOM 519 CA VAL A 37 -6.849 -0.394 -3.377 1.00 0.00 C ATOM 520 C VAL A 37 -7.901 -1.497 -3.375 1.00 0.00 C ATOM 521 O VAL A 37 -8.476 -1.822 -4.413 1.00 0.00 O ATOM 522 CB VAL A 37 -7.546 0.967 -3.193 1.00 0.00 C ATOM 523 CG1 VAL A 37 -8.539 0.907 -2.042 1.00 0.00 C ATOM 524 CG2 VAL A 37 -6.518 2.065 -2.964 1.00 0.00 C ATOM 0 H VAL A 37 -6.607 -0.513 -5.456 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.158 -0.554 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.096 1.200 -4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.022 1.877 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.294 0.149 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.014 0.652 -1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.028 3.020 -2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.939 1.840 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.850 2.123 -3.823 1.00 0.00 H new ATOM 534 N ASN A 38 -8.149 -2.069 -2.201 1.00 0.00 N ATOM 535 CA ASN A 38 -9.134 -3.136 -2.063 1.00 0.00 C ATOM 536 C ASN A 38 -10.410 -2.617 -1.407 1.00 0.00 C ATOM 537 O ASN A 38 -10.484 -1.458 -1.002 1.00 0.00 O ATOM 538 CB ASN A 38 -8.556 -4.288 -1.240 1.00 0.00 C ATOM 539 CG ASN A 38 -8.314 -3.902 0.207 1.00 0.00 C ATOM 540 OD1 ASN A 38 -8.660 -2.799 0.632 1.00 0.00 O ATOM 541 ND2 ASN A 38 -7.718 -4.810 0.970 1.00 0.00 N ATOM 0 H ASN A 38 -7.682 -1.812 -1.332 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.382 -3.499 -3.060 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.240 -5.136 -1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.618 -4.615 -1.688 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.529 -4.607 1.952 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.449 -5.711 0.575 1.00 0.00 H new ATOM 548 N GLN A 39 -11.411 -3.485 -1.305 1.00 0.00 N ATOM 549 CA GLN A 39 -12.684 -3.115 -0.698 1.00 0.00 C ATOM 550 C GLN A 39 -12.518 -2.847 0.794 1.00 0.00 C ATOM 551 O GLN A 39 -13.437 -2.360 1.452 1.00 0.00 O ATOM 552 CB GLN A 39 -13.719 -4.220 -0.918 1.00 0.00 C ATOM 553 CG GLN A 39 -13.429 -5.490 -0.135 1.00 0.00 C ATOM 554 CD GLN A 39 -14.497 -6.549 -0.323 1.00 0.00 C ATOM 555 OE1 GLN A 39 -15.224 -6.887 0.612 1.00 0.00 O ATOM 556 NE2 GLN A 39 -14.599 -7.078 -1.537 1.00 0.00 N ATOM 0 H GLN A 39 -11.365 -4.449 -1.635 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.033 -2.200 -1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -14.703 -3.846 -0.636 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.762 -4.460 -1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.465 -5.892 -0.447 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.346 -5.248 0.924 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.976 -6.768 -2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.301 -7.794 -1.724 1.00 0.00 H new ATOM 565 N GLN A 40 -11.341 -3.170 1.321 1.00 0.00 N ATOM 566 CA GLN A 40 -11.056 -2.965 2.736 1.00 0.00 C ATOM 567 C GLN A 40 -10.403 -1.606 2.969 1.00 0.00 C ATOM 568 O GLN A 40 -9.721 -1.398 3.971 1.00 0.00 O ATOM 569 CB GLN A 40 -10.148 -4.078 3.262 1.00 0.00 C ATOM 570 CG GLN A 40 -10.906 -5.299 3.758 1.00 0.00 C ATOM 571 CD GLN A 40 -9.996 -6.482 4.022 1.00 0.00 C ATOM 572 OE1 GLN A 40 -8.967 -6.353 4.685 1.00 0.00 O ATOM 573 NE2 GLN A 40 -10.373 -7.646 3.504 1.00 0.00 N ATOM 0 H GLN A 40 -10.570 -3.574 0.789 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.001 -2.991 3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.464 -4.382 2.470 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.538 -3.684 4.075 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.439 -5.044 4.674 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.657 -5.581 3.020 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.234 -7.707 2.961 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.801 -8.478 3.650 1.00 0.00 H new ATOM 582 N ASN A 41 -10.616 -0.685 2.035 1.00 0.00 N ATOM 583 CA ASN A 41 -10.047 0.653 2.138 1.00 0.00 C ATOM 584 C ASN A 41 -8.534 0.588 2.327 1.00 0.00 C ATOM 585 O ASN A 41 -7.930 1.498 2.894 1.00 0.00 O ATOM 586 CB ASN A 41 -10.685 1.414 3.302 1.00 0.00 C ATOM 587 CG ASN A 41 -10.142 2.823 3.439 1.00 0.00 C ATOM 588 OD1 ASN A 41 -9.594 3.384 2.491 1.00 0.00 O ATOM 589 ND2 ASN A 41 -10.293 3.402 4.625 1.00 0.00 N ATOM 0 H ASN A 41 -11.178 -0.841 1.199 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.257 1.182 1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.764 1.456 3.157 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.509 0.868 4.229 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.948 4.350 4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.754 2.899 5.383 1.00 0.00 H new ATOM 596 N MET A 42 -7.929 -0.494 1.848 1.00 0.00 N ATOM 597 CA MET A 42 -6.487 -0.677 1.963 1.00 0.00 C ATOM 598 C MET A 42 -5.777 -0.208 0.696 1.00 0.00 C ATOM 599 O MET A 42 -6.421 0.145 -0.293 1.00 0.00 O ATOM 600 CB MET A 42 -6.158 -2.146 2.232 1.00 0.00 C ATOM 601 CG MET A 42 -6.805 -2.692 3.495 1.00 0.00 C ATOM 602 SD MET A 42 -6.145 -1.941 4.995 1.00 0.00 S ATOM 603 CE MET A 42 -4.652 -2.904 5.226 1.00 0.00 C ATOM 0 H MET A 42 -8.415 -1.257 1.377 1.00 0.00 H new ATOM 0 HA MET A 42 -6.135 -0.074 2.800 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.481 -2.744 1.380 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.077 -2.260 2.309 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.881 -2.521 3.451 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.656 -3.771 3.538 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.293 -2.779 6.248 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.866 -3.957 5.043 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.887 -2.563 4.528 1.00 0.00 H new ATOM 613 N CYS A 43 -4.449 -0.208 0.734 1.00 0.00 N ATOM 614 CA CYS A 43 -3.652 0.218 -0.411 1.00 0.00 C ATOM 615 C CYS A 43 -2.459 -0.709 -0.618 1.00 0.00 C ATOM 616 O CYS A 43 -1.531 -0.734 0.191 1.00 0.00 O ATOM 617 CB CYS A 43 -3.169 1.656 -0.215 1.00 0.00 C ATOM 618 SG CYS A 43 -4.461 2.904 -0.419 1.00 0.00 S ATOM 0 H CYS A 43 -3.902 -0.498 1.545 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.282 0.172 -1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.741 1.751 0.783 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.368 1.859 -0.926 1.00 0.00 H new ATOM 0 HG CYS A 43 -3.955 4.087 -0.232 1.00 0.00 H new ATOM 624 N LEU A 44 -2.490 -1.471 -1.706 1.00 0.00 N ATOM 625 CA LEU A 44 -1.412 -2.402 -2.019 1.00 0.00 C ATOM 626 C LEU A 44 -0.100 -1.658 -2.250 1.00 0.00 C ATOM 627 O LEU A 44 0.148 -1.139 -3.338 1.00 0.00 O ATOM 628 CB LEU A 44 -1.768 -3.227 -3.257 1.00 0.00 C ATOM 629 CG LEU A 44 -0.807 -4.365 -3.604 1.00 0.00 C ATOM 630 CD1 LEU A 44 -0.726 -5.363 -2.459 1.00 0.00 C ATOM 631 CD2 LEU A 44 -1.241 -5.057 -4.887 1.00 0.00 C ATOM 0 H LEU A 44 -3.250 -1.462 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.284 -3.071 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.763 -3.649 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.827 -2.554 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 44 0.185 -3.942 -3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.038 -6.166 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.367 -4.859 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.715 -5.781 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.546 -5.864 -5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.243 -5.467 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.246 -4.337 -5.705 1.00 0.00 H new ATOM 643 N VAL A 45 0.737 -1.611 -1.219 1.00 0.00 N ATOM 644 CA VAL A 45 2.025 -0.934 -1.310 1.00 0.00 C ATOM 645 C VAL A 45 3.168 -1.938 -1.409 1.00 0.00 C ATOM 646 O VAL A 45 3.128 -3.004 -0.793 1.00 0.00 O ATOM 647 CB VAL A 45 2.265 -0.019 -0.095 1.00 0.00 C ATOM 648 CG1 VAL A 45 1.256 1.119 -0.076 1.00 0.00 C ATOM 649 CG2 VAL A 45 2.201 -0.820 1.197 1.00 0.00 C ATOM 0 H VAL A 45 0.546 -2.034 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 45 2.000 -0.326 -2.214 1.00 0.00 H new ATOM 0 HB VAL A 45 3.262 0.412 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.441 1.755 0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.355 1.709 -0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.247 0.710 -0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.373 -0.157 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.218 -1.282 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.966 -1.596 1.182 1.00 0.00 H new ATOM 659 N TYR A 46 4.187 -1.592 -2.188 1.00 0.00 N ATOM 660 CA TYR A 46 5.341 -2.463 -2.369 1.00 0.00 C ATOM 661 C TYR A 46 6.484 -2.055 -1.444 1.00 0.00 C ATOM 662 O TYR A 46 7.080 -0.991 -1.610 1.00 0.00 O ATOM 663 CB TYR A 46 5.811 -2.426 -3.825 1.00 0.00 C ATOM 664 CG TYR A 46 6.990 -3.330 -4.104 1.00 0.00 C ATOM 665 CD1 TYR A 46 8.278 -2.958 -3.739 1.00 0.00 C ATOM 666 CD2 TYR A 46 6.816 -4.557 -4.732 1.00 0.00 C ATOM 667 CE1 TYR A 46 9.358 -3.781 -3.993 1.00 0.00 C ATOM 668 CE2 TYR A 46 7.890 -5.387 -4.989 1.00 0.00 C ATOM 669 CZ TYR A 46 9.159 -4.994 -4.618 1.00 0.00 C ATOM 670 OH TYR A 46 10.233 -5.818 -4.871 1.00 0.00 O ATOM 0 H TYR A 46 4.237 -0.714 -2.704 1.00 0.00 H new ATOM 0 HA TYR A 46 5.039 -3.479 -2.116 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.983 -2.713 -4.473 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.079 -1.402 -4.085 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.438 -2.009 -3.248 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.824 -4.867 -5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.353 -3.476 -3.704 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.737 -6.338 -5.478 1.00 0.00 H new ATOM 0 HH TYR A 46 9.922 -6.634 -5.315 1.00 0.00 H new ATOM 680 N GLN A 47 6.782 -2.909 -0.471 1.00 0.00 N ATOM 681 CA GLN A 47 7.853 -2.638 0.481 1.00 0.00 C ATOM 682 C GLN A 47 9.163 -3.270 0.023 1.00 0.00 C ATOM 683 O GLN A 47 9.338 -4.488 0.058 1.00 0.00 O ATOM 684 CB GLN A 47 7.477 -3.164 1.868 1.00 0.00 C ATOM 685 CG GLN A 47 8.628 -3.142 2.860 1.00 0.00 C ATOM 686 CD GLN A 47 8.161 -2.976 4.292 1.00 0.00 C ATOM 687 OE1 GLN A 47 8.136 -1.866 4.825 1.00 0.00 O ATOM 688 NE2 GLN A 47 7.787 -4.081 4.925 1.00 0.00 N ATOM 0 H GLN A 47 6.298 -3.794 -0.321 1.00 0.00 H new ATOM 0 HA GLN A 47 7.991 -1.558 0.535 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.656 -2.566 2.264 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.110 -4.186 1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.196 -4.068 2.772 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.306 -2.327 2.606 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.824 -4.981 4.446 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.463 -4.031 5.891 1.00 0.00 H new ATOM 697 N PRO A 48 10.106 -2.425 -0.419 1.00 0.00 N ATOM 698 CA PRO A 48 11.416 -2.879 -0.893 1.00 0.00 C ATOM 699 C PRO A 48 12.288 -3.415 0.237 1.00 0.00 C ATOM 700 O PRO A 48 12.044 -3.132 1.410 1.00 0.00 O ATOM 701 CB PRO A 48 12.035 -1.613 -1.491 1.00 0.00 C ATOM 702 CG PRO A 48 11.364 -0.490 -0.778 1.00 0.00 C ATOM 703 CD PRO A 48 9.965 -0.961 -0.489 1.00 0.00 C ATOM 0 HA PRO A 48 11.330 -3.704 -1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.114 -1.590 -1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.863 -1.558 -2.566 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.891 -0.242 0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.354 0.411 -1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.587 -0.548 0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.270 -0.661 -1.273 1.00 0.00 H new ATOM 711 N ALA A 49 13.305 -4.192 -0.123 1.00 0.00 N ATOM 712 CA ALA A 49 14.214 -4.765 0.861 1.00 0.00 C ATOM 713 C ALA A 49 14.416 -3.819 2.040 1.00 0.00 C ATOM 714 O ALA A 49 14.752 -2.649 1.858 1.00 0.00 O ATOM 715 CB ALA A 49 15.550 -5.098 0.214 1.00 0.00 C ATOM 0 H ALA A 49 13.519 -4.439 -1.089 1.00 0.00 H new ATOM 0 HA ALA A 49 13.767 -5.684 1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.219 -5.525 0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.396 -5.818 -0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.994 -4.189 -0.193 1.00 0.00 H new ATOM 787 N ALA A 55 12.447 -7.408 0.140 1.00 0.00 N ATOM 788 CA ALA A 55 11.514 -7.001 -0.903 1.00 0.00 C ATOM 789 C ALA A 55 10.237 -7.834 -0.854 1.00 0.00 C ATOM 790 O ALA A 55 10.270 -9.049 -1.046 1.00 0.00 O ATOM 791 CB ALA A 55 12.169 -7.116 -2.272 1.00 0.00 C ATOM 0 HA ALA A 55 11.244 -5.960 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.461 -6.809 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.048 -6.472 -2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.468 -8.149 -2.446 1.00 0.00 H new ATOM 797 N ALA A 56 9.114 -7.172 -0.595 1.00 0.00 N ATOM 798 CA ALA A 56 7.827 -7.852 -0.522 1.00 0.00 C ATOM 799 C ALA A 56 6.675 -6.857 -0.618 1.00 0.00 C ATOM 800 O ALA A 56 6.791 -5.715 -0.177 1.00 0.00 O ATOM 801 CB ALA A 56 7.727 -8.655 0.766 1.00 0.00 C ATOM 0 H ALA A 56 9.070 -6.166 -0.432 1.00 0.00 H new ATOM 0 HA ALA A 56 7.755 -8.534 -1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.761 -9.158 0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.524 -9.398 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.825 -7.986 1.621 1.00 0.00 H new ATOM 807 N GLU A 57 5.564 -7.300 -1.199 1.00 0.00 N ATOM 808 CA GLU A 57 4.392 -6.447 -1.355 1.00 0.00 C ATOM 809 C GLU A 57 3.395 -6.680 -0.223 1.00 0.00 C ATOM 810 O GLU A 57 3.178 -7.814 0.204 1.00 0.00 O ATOM 811 CB GLU A 57 3.718 -6.708 -2.704 1.00 0.00 C ATOM 812 CG GLU A 57 3.010 -5.491 -3.276 1.00 0.00 C ATOM 813 CD GLU A 57 2.386 -5.764 -4.631 1.00 0.00 C ATOM 814 OE1 GLU A 57 3.101 -5.643 -5.647 1.00 0.00 O ATOM 815 OE2 GLU A 57 1.183 -6.097 -4.674 1.00 0.00 O ATOM 0 H GLU A 57 5.451 -8.244 -1.569 1.00 0.00 H new ATOM 0 HA GLU A 57 4.723 -5.409 -1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.469 -7.049 -3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.997 -7.517 -2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.235 -5.166 -2.582 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.721 -4.670 -3.366 1.00 0.00 H new ATOM 822 N GLY A 58 2.792 -5.598 0.260 1.00 0.00 N ATOM 823 CA GLY A 58 1.827 -5.705 1.338 1.00 0.00 C ATOM 824 C GLY A 58 0.755 -4.636 1.265 1.00 0.00 C ATOM 825 O GLY A 58 0.949 -3.596 0.636 1.00 0.00 O ATOM 0 H GLY A 58 2.955 -4.649 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.358 -6.688 1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.345 -5.631 2.294 1.00 0.00 H new ATOM 829 N TRP A 59 -0.379 -4.892 1.907 1.00 0.00 N ATOM 830 CA TRP A 59 -1.487 -3.944 1.910 1.00 0.00 C ATOM 831 C TRP A 59 -1.504 -3.131 3.200 1.00 0.00 C ATOM 832 O TRP A 59 -1.366 -3.680 4.293 1.00 0.00 O ATOM 833 CB TRP A 59 -2.817 -4.681 1.739 1.00 0.00 C ATOM 834 CG TRP A 59 -2.957 -5.352 0.407 1.00 0.00 C ATOM 835 CD1 TRP A 59 -2.330 -6.493 -0.006 1.00 0.00 C ATOM 836 CD2 TRP A 59 -3.774 -4.923 -0.687 1.00 0.00 C ATOM 837 NE1 TRP A 59 -2.708 -6.799 -1.291 1.00 0.00 N ATOM 838 CE2 TRP A 59 -3.594 -5.851 -1.731 1.00 0.00 C ATOM 839 CE3 TRP A 59 -4.642 -3.846 -0.886 1.00 0.00 C ATOM 840 CZ2 TRP A 59 -4.250 -5.733 -2.954 1.00 0.00 C ATOM 841 CZ3 TRP A 59 -5.292 -3.729 -2.100 1.00 0.00 C ATOM 842 CH2 TRP A 59 -5.094 -4.669 -3.121 1.00 0.00 C ATOM 0 H TRP A 59 -0.555 -5.748 2.432 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.349 -3.260 1.073 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.914 -5.429 2.526 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.636 -3.973 1.869 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.639 -7.070 0.590 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.382 -7.601 -1.830 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.802 -3.118 -0.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.098 -6.455 -3.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.964 -2.900 -2.265 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.618 -4.551 -4.058 1.00 0.00 H new ATOM 853 N VAL A 60 -1.675 -1.820 3.066 1.00 0.00 N ATOM 854 CA VAL A 60 -1.711 -0.931 4.222 1.00 0.00 C ATOM 855 C VAL A 60 -2.773 0.148 4.052 1.00 0.00 C ATOM 856 O VAL A 60 -3.104 0.559 2.939 1.00 0.00 O ATOM 857 CB VAL A 60 -0.345 -0.260 4.456 1.00 0.00 C ATOM 858 CG1 VAL A 60 0.770 -1.294 4.433 1.00 0.00 C ATOM 859 CG2 VAL A 60 -0.099 0.824 3.418 1.00 0.00 C ATOM 0 H VAL A 60 -1.791 -1.349 2.168 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.958 -1.546 5.087 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.354 0.207 5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.727 -0.800 4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.599 -2.031 5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.783 -1.793 3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.871 1.287 3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.110 0.383 2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.881 1.580 3.489 1.00 0.00 H new ATOM 869 N PRO A 61 -3.323 0.621 5.180 1.00 0.00 N ATOM 870 CA PRO A 61 -4.356 1.661 5.183 1.00 0.00 C ATOM 871 C PRO A 61 -3.810 3.021 4.763 1.00 0.00 C ATOM 872 O PRO A 61 -2.937 3.582 5.423 1.00 0.00 O ATOM 873 CB PRO A 61 -4.819 1.698 6.641 1.00 0.00 C ATOM 874 CG PRO A 61 -3.655 1.191 7.421 1.00 0.00 C ATOM 875 CD PRO A 61 -2.977 0.177 6.541 1.00 0.00 C ATOM 0 HA PRO A 61 -5.155 1.444 4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.089 2.709 6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.699 1.074 6.793 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.974 2.002 7.678 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.980 0.739 8.358 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.898 0.166 6.698 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.338 -0.832 6.739 1.00 0.00 H new ATOM 883 N GLY A 62 -4.332 3.548 3.659 1.00 0.00 N ATOM 884 CA GLY A 62 -3.885 4.840 3.170 1.00 0.00 C ATOM 885 C GLY A 62 -3.816 5.883 4.268 1.00 0.00 C ATOM 886 O GLY A 62 -3.111 6.884 4.139 1.00 0.00 O ATOM 0 H GLY A 62 -5.056 3.103 3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.901 4.732 2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.563 5.184 2.389 1.00 0.00 H new ATOM 890 N SER A 63 -4.550 5.649 5.351 1.00 0.00 N ATOM 891 CA SER A 63 -4.573 6.580 6.474 1.00 0.00 C ATOM 892 C SER A 63 -3.161 6.852 6.983 1.00 0.00 C ATOM 893 O SER A 63 -2.800 7.995 7.264 1.00 0.00 O ATOM 894 CB SER A 63 -5.437 6.023 7.607 1.00 0.00 C ATOM 895 OG SER A 63 -6.697 5.593 7.122 1.00 0.00 O ATOM 0 H SER A 63 -5.136 4.824 5.475 1.00 0.00 H new ATOM 0 HA SER A 63 -5.003 7.520 6.127 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.923 5.188 8.084 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.579 6.788 8.370 1.00 0.00 H new ATOM 0 HG SER A 63 -7.230 5.240 7.865 1.00 0.00 H new ATOM 901 N ILE A 64 -2.366 5.793 7.100 1.00 0.00 N ATOM 902 CA ILE A 64 -0.994 5.916 7.574 1.00 0.00 C ATOM 903 C ILE A 64 -0.031 6.155 6.415 1.00 0.00 C ATOM 904 O ILE A 64 1.157 5.845 6.507 1.00 0.00 O ATOM 905 CB ILE A 64 -0.549 4.660 8.345 1.00 0.00 C ATOM 906 CG1 ILE A 64 -0.400 3.474 7.389 1.00 0.00 C ATOM 907 CG2 ILE A 64 -1.545 4.335 9.449 1.00 0.00 C ATOM 908 CD1 ILE A 64 0.414 2.335 7.961 1.00 0.00 C ATOM 0 H ILE A 64 -2.650 4.840 6.873 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.969 6.773 8.247 1.00 0.00 H new ATOM 0 HB ILE A 64 0.420 4.858 8.803 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.391 3.105 7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.069 3.818 6.467 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.216 3.445 9.985 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.606 5.174 10.142 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.527 4.154 9.012 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.478 1.530 7.229 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.417 2.689 8.200 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.065 1.964 8.867 1.00 0.00 H new ATOM 920 N LEU A 65 -0.552 6.711 5.326 1.00 0.00 N ATOM 921 CA LEU A 65 0.262 6.994 4.149 1.00 0.00 C ATOM 922 C LEU A 65 0.069 8.435 3.688 1.00 0.00 C ATOM 923 O LEU A 65 -1.045 8.958 3.700 1.00 0.00 O ATOM 924 CB LEU A 65 -0.095 6.032 3.014 1.00 0.00 C ATOM 925 CG LEU A 65 0.255 4.562 3.246 1.00 0.00 C ATOM 926 CD1 LEU A 65 -0.298 3.698 2.123 1.00 0.00 C ATOM 927 CD2 LEU A 65 1.762 4.385 3.364 1.00 0.00 C ATOM 0 H LEU A 65 -1.533 6.974 5.234 1.00 0.00 H new ATOM 0 HA LEU A 65 1.309 6.855 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.166 6.105 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.411 6.367 2.108 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.203 4.243 4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.039 2.655 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.382 3.801 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.131 4.018 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.993 3.333 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.241 4.722 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.133 4.974 4.203 1.00 0.00 H new ATOM 939 N ALA A 66 1.162 9.072 3.280 1.00 0.00 N ATOM 940 CA ALA A 66 1.113 10.451 2.811 1.00 0.00 C ATOM 941 C ALA A 66 1.894 10.617 1.512 1.00 0.00 C ATOM 942 O ALA A 66 2.811 9.854 1.208 1.00 0.00 O ATOM 943 CB ALA A 66 1.655 11.391 3.878 1.00 0.00 C ATOM 0 H ALA A 66 2.092 8.654 3.265 1.00 0.00 H new ATOM 0 HA ALA A 66 0.071 10.705 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.612 12.418 3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.053 11.301 4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.689 11.128 4.103 1.00 0.00 H new ATOM 949 N PRO A 67 1.522 11.637 0.724 1.00 0.00 N ATOM 950 CA PRO A 67 2.175 11.927 -0.556 1.00 0.00 C ATOM 951 C PRO A 67 3.595 12.453 -0.377 1.00 0.00 C ATOM 952 O PRO A 67 3.798 13.626 -0.064 1.00 0.00 O ATOM 953 CB PRO A 67 1.280 13.003 -1.175 1.00 0.00 C ATOM 954 CG PRO A 67 0.620 13.662 -0.013 1.00 0.00 C ATOM 955 CD PRO A 67 0.438 12.587 1.023 1.00 0.00 C ATOM 0 HA PRO A 67 2.279 11.034 -1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.864 13.717 -1.756 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.546 12.566 -1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.232 14.477 0.373 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.339 14.093 -0.301 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.521 12.986 2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.542 12.116 0.945 1.00 0.00 H new ATOM 963 N PHE A 68 4.575 11.578 -0.578 1.00 0.00 N ATOM 964 CA PHE A 68 5.977 11.955 -0.438 1.00 0.00 C ATOM 965 C PHE A 68 6.412 12.865 -1.583 1.00 0.00 C ATOM 966 O PHE A 68 5.739 12.954 -2.610 1.00 0.00 O ATOM 967 CB PHE A 68 6.861 10.707 -0.398 1.00 0.00 C ATOM 968 CG PHE A 68 8.315 11.009 -0.172 1.00 0.00 C ATOM 969 CD1 PHE A 68 8.722 11.724 0.943 1.00 0.00 C ATOM 970 CD2 PHE A 68 9.274 10.579 -1.074 1.00 0.00 C ATOM 971 CE1 PHE A 68 10.059 12.004 1.155 1.00 0.00 C ATOM 972 CE2 PHE A 68 10.612 10.855 -0.868 1.00 0.00 C ATOM 973 CZ PHE A 68 11.005 11.569 0.247 1.00 0.00 C ATOM 0 H PHE A 68 4.424 10.603 -0.838 1.00 0.00 H new ATOM 0 HA PHE A 68 6.089 12.501 0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.508 10.047 0.394 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.753 10.164 -1.337 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.986 12.067 1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.972 10.022 -1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.363 12.562 2.028 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.350 10.513 -1.578 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.050 11.787 0.409 1.00 0.00 H new