USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 442 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 10 TYR OH : rot 148:sc= 0.326 USER MOD Set 1.2: A 34 LYS NZ :NH3+ 153:sc= 0.347 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 165:sc= 0 USER MOD Single : A 19 THR OG1 : rot 120:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0311 K(o=-0.031,f=-1) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc=-0.00326 USER MOD Single : A 26 SER OG : rot 34:sc= 1.07 USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.588 F(o=-1.3,f=-0.59) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.68 K(o=-1.7,f=-7!) USER MOD Single : A 49 SER OG : rot 20:sc= 0.0669 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.823 K(o=-0.82,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 9 3.802 -4.645 -1.206 1.00 0.00 N ATOM 78 CA GLY A 9 2.471 -4.104 -1.002 1.00 0.00 C ATOM 79 C GLY A 9 2.497 -2.666 -0.522 1.00 0.00 C ATOM 80 O GLY A 9 2.728 -2.403 0.658 1.00 0.00 O ATOM 0 HA2 GLY A 9 1.911 -4.162 -1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.940 -4.717 -0.274 1.00 0.00 H new ATOM 84 N TYR A 10 2.261 -1.734 -1.438 1.00 0.00 N ATOM 85 CA TYR A 10 2.263 -0.315 -1.103 1.00 0.00 C ATOM 86 C TYR A 10 1.054 0.390 -1.711 1.00 0.00 C ATOM 87 O TYR A 10 0.859 0.376 -2.927 1.00 0.00 O ATOM 88 CB TYR A 10 3.552 0.345 -1.594 1.00 0.00 C ATOM 89 CG TYR A 10 4.692 0.259 -0.604 1.00 0.00 C ATOM 90 CD1 TYR A 10 5.436 -0.907 -0.472 1.00 0.00 C ATOM 91 CD2 TYR A 10 5.023 1.342 0.200 1.00 0.00 C ATOM 92 CE1 TYR A 10 6.478 -0.991 0.432 1.00 0.00 C ATOM 93 CE2 TYR A 10 6.064 1.268 1.105 1.00 0.00 C ATOM 94 CZ TYR A 10 6.788 0.099 1.218 1.00 0.00 C ATOM 95 OH TYR A 10 7.825 0.021 2.119 1.00 0.00 O ATOM 0 H TYR A 10 2.066 -1.935 -2.419 1.00 0.00 H new ATOM 0 HA TYR A 10 2.207 -0.224 -0.018 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.858 -0.125 -2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.352 1.394 -1.815 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.196 -1.762 -1.086 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.457 2.258 0.116 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.046 -1.905 0.522 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.310 2.121 1.721 1.00 0.00 H new ATOM 0 HH TYR A 10 8.247 0.901 2.209 1.00 0.00 H new ATOM 105 N VAL A 11 0.245 1.007 -0.856 1.00 0.00 N ATOM 106 CA VAL A 11 -0.945 1.719 -1.307 1.00 0.00 C ATOM 107 C VAL A 11 -0.870 3.198 -0.944 1.00 0.00 C ATOM 108 O VAL A 11 -0.427 3.558 0.147 1.00 0.00 O ATOM 109 CB VAL A 11 -2.225 1.116 -0.698 1.00 0.00 C ATOM 110 CG1 VAL A 11 -2.340 -0.359 -1.049 1.00 0.00 C ATOM 111 CG2 VAL A 11 -2.242 1.316 0.810 1.00 0.00 C ATOM 0 H VAL A 11 0.392 1.028 0.153 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.984 1.615 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.086 1.634 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.250 -0.768 -0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.376 -0.473 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.476 -0.895 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.153 0.884 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.375 0.826 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.210 2.382 1.036 1.00 0.00 H new ATOM 121 N ILE A 12 -1.306 4.050 -1.865 1.00 0.00 N ATOM 122 CA ILE A 12 -1.290 5.490 -1.641 1.00 0.00 C ATOM 123 C ILE A 12 -2.684 6.009 -1.302 1.00 0.00 C ATOM 124 O ILE A 12 -3.689 5.443 -1.728 1.00 0.00 O ATOM 125 CB ILE A 12 -0.760 6.246 -2.874 1.00 0.00 C ATOM 126 CG1 ILE A 12 -0.341 7.666 -2.488 1.00 0.00 C ATOM 127 CG2 ILE A 12 -1.815 6.279 -3.970 1.00 0.00 C ATOM 128 CD1 ILE A 12 0.513 8.349 -3.533 1.00 0.00 C ATOM 0 H ILE A 12 -1.675 3.768 -2.773 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.622 5.671 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 12 0.115 5.720 -3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.235 8.265 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.209 7.631 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.425 6.817 -4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.069 5.260 -4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.708 6.784 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.773 9.351 -3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.424 7.772 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.042 8.416 -4.469 1.00 0.00 H new ATOM 140 N ALA A 13 -2.734 7.092 -0.533 1.00 0.00 N ATOM 141 CA ALA A 13 -4.004 7.690 -0.139 1.00 0.00 C ATOM 142 C ALA A 13 -4.585 8.538 -1.266 1.00 0.00 C ATOM 143 O ALA A 13 -3.940 9.469 -1.752 1.00 0.00 O ATOM 144 CB ALA A 13 -3.824 8.530 1.117 1.00 0.00 C ATOM 0 H ALA A 13 -1.911 7.573 -0.171 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.707 6.884 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.780 8.971 1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.461 7.899 1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.102 9.323 0.924 1.00 0.00 H new ATOM 150 N LEU A 14 -5.804 8.210 -1.678 1.00 0.00 N ATOM 151 CA LEU A 14 -6.472 8.941 -2.750 1.00 0.00 C ATOM 152 C LEU A 14 -7.080 10.238 -2.227 1.00 0.00 C ATOM 153 O LEU A 14 -7.190 11.223 -2.958 1.00 0.00 O ATOM 154 CB LEU A 14 -7.560 8.074 -3.384 1.00 0.00 C ATOM 155 CG LEU A 14 -7.083 6.797 -4.076 1.00 0.00 C ATOM 156 CD1 LEU A 14 -8.240 5.830 -4.271 1.00 0.00 C ATOM 157 CD2 LEU A 14 -6.430 7.126 -5.411 1.00 0.00 C ATOM 0 H LEU A 14 -6.351 7.443 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.727 9.189 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.274 7.798 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.099 8.679 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.340 6.318 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.880 4.927 -4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.663 5.569 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.007 6.300 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.096 6.205 -5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.152 7.629 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.574 7.780 -5.246 1.00 0.00 H new ATOM 169 N ARG A 15 -7.471 10.233 -0.957 1.00 0.00 N ATOM 170 CA ARG A 15 -8.067 11.410 -0.335 1.00 0.00 C ATOM 171 C ARG A 15 -7.417 11.699 1.015 1.00 0.00 C ATOM 172 O ARG A 15 -6.478 11.016 1.422 1.00 0.00 O ATOM 173 CB ARG A 15 -9.573 11.211 -0.157 1.00 0.00 C ATOM 174 CG ARG A 15 -9.941 9.873 0.464 1.00 0.00 C ATOM 175 CD ARG A 15 -11.366 9.879 0.996 1.00 0.00 C ATOM 176 NE ARG A 15 -11.458 10.516 2.307 1.00 0.00 N ATOM 177 CZ ARG A 15 -12.603 10.896 2.861 1.00 0.00 C ATOM 178 NH1 ARG A 15 -13.749 10.704 2.221 1.00 0.00 N ATOM 179 NH2 ARG A 15 -12.605 11.468 4.058 1.00 0.00 N ATOM 0 H ARG A 15 -7.386 9.427 -0.338 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.896 12.264 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.965 12.013 0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.060 11.297 -1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.832 9.083 -0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.250 9.645 1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.013 10.402 0.292 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.732 8.854 1.064 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.595 10.678 2.826 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.752 10.263 1.301 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.627 10.997 2.649 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.726 11.616 4.554 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.485 11.759 4.482 1.00 0.00 H new ATOM 193 N SER A 16 -7.924 12.717 1.703 1.00 0.00 N ATOM 194 CA SER A 16 -7.391 13.100 3.005 1.00 0.00 C ATOM 195 C SER A 16 -8.237 12.515 4.132 1.00 0.00 C ATOM 196 O SER A 16 -9.451 12.711 4.178 1.00 0.00 O ATOM 197 CB SER A 16 -7.339 14.624 3.130 1.00 0.00 C ATOM 198 OG SER A 16 -6.855 15.015 4.403 1.00 0.00 O ATOM 0 H SER A 16 -8.703 13.291 1.381 1.00 0.00 H new ATOM 0 HA SER A 16 -6.380 12.701 3.088 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.696 15.034 2.351 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.335 15.039 2.973 1.00 0.00 H new ATOM 0 HG SER A 16 -6.830 15.993 4.457 1.00 0.00 H new ATOM 204 N TYR A 17 -7.586 11.795 5.039 1.00 0.00 N ATOM 205 CA TYR A 17 -8.277 11.179 6.165 1.00 0.00 C ATOM 206 C TYR A 17 -7.917 11.876 7.474 1.00 0.00 C ATOM 207 O TYR A 17 -7.071 11.400 8.231 1.00 0.00 O ATOM 208 CB TYR A 17 -7.927 9.692 6.253 1.00 0.00 C ATOM 209 CG TYR A 17 -8.992 8.858 6.929 1.00 0.00 C ATOM 210 CD1 TYR A 17 -10.184 8.561 6.279 1.00 0.00 C ATOM 211 CD2 TYR A 17 -8.807 8.369 8.216 1.00 0.00 C ATOM 212 CE1 TYR A 17 -11.160 7.800 6.893 1.00 0.00 C ATOM 213 CE2 TYR A 17 -9.777 7.606 8.836 1.00 0.00 C ATOM 214 CZ TYR A 17 -10.952 7.324 8.171 1.00 0.00 C ATOM 215 OH TYR A 17 -11.922 6.566 8.786 1.00 0.00 O ATOM 0 H TYR A 17 -6.581 11.624 5.016 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.350 11.285 6.002 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.760 9.307 5.247 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.989 9.580 6.797 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.350 8.931 5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.889 8.589 8.741 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.081 7.579 6.375 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.616 7.232 9.836 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.538 6.115 9.567 1.00 0.00 H new ATOM 225 N ILE A 18 -8.565 13.007 7.732 1.00 0.00 N ATOM 226 CA ILE A 18 -8.316 13.769 8.948 1.00 0.00 C ATOM 227 C ILE A 18 -9.217 13.300 10.086 1.00 0.00 C ATOM 228 O ILE A 18 -10.438 13.456 10.031 1.00 0.00 O ATOM 229 CB ILE A 18 -8.535 15.277 8.723 1.00 0.00 C ATOM 230 CG1 ILE A 18 -7.528 15.814 7.704 1.00 0.00 C ATOM 231 CG2 ILE A 18 -8.420 16.032 10.039 1.00 0.00 C ATOM 232 CD1 ILE A 18 -6.134 15.254 7.880 1.00 0.00 C ATOM 0 H ILE A 18 -9.267 13.415 7.114 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.274 13.598 9.219 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.539 15.428 8.327 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.880 15.581 6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.487 16.900 7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.577 17.096 9.863 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.173 15.664 10.736 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.427 15.877 10.462 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.473 15.678 7.124 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.762 15.510 8.872 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.161 14.170 7.771 1.00 0.00 H new ATOM 244 N THR A 19 -8.608 12.726 11.118 1.00 0.00 N ATOM 245 CA THR A 19 -9.354 12.235 12.270 1.00 0.00 C ATOM 246 C THR A 19 -8.576 12.453 13.563 1.00 0.00 C ATOM 247 O THR A 19 -7.351 12.329 13.590 1.00 0.00 O ATOM 248 CB THR A 19 -9.684 10.737 12.128 1.00 0.00 C ATOM 249 OG1 THR A 19 -10.369 10.274 13.297 1.00 0.00 O ATOM 250 CG2 THR A 19 -8.416 9.921 11.921 1.00 0.00 C ATOM 0 H THR A 19 -7.599 12.589 11.180 1.00 0.00 H new ATOM 0 HA THR A 19 -10.284 12.802 12.310 1.00 0.00 H new ATOM 0 HB THR A 19 -10.326 10.610 11.256 1.00 0.00 H new ATOM 0 HG1 THR A 19 -11.252 9.933 13.045 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.674 8.866 11.823 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.911 10.257 11.015 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.754 10.055 12.776 1.00 0.00 H new ATOM 258 N ASP A 20 -9.294 12.777 14.632 1.00 0.00 N ATOM 259 CA ASP A 20 -8.671 13.010 15.930 1.00 0.00 C ATOM 260 C ASP A 20 -8.798 11.779 16.822 1.00 0.00 C ATOM 261 O ASP A 20 -8.990 11.895 18.032 1.00 0.00 O ATOM 262 CB ASP A 20 -9.307 14.220 16.615 1.00 0.00 C ATOM 263 CG ASP A 20 -9.143 15.494 15.810 1.00 0.00 C ATOM 264 OD1 ASP A 20 -9.963 15.729 14.899 1.00 0.00 O ATOM 265 OD2 ASP A 20 -8.194 16.256 16.090 1.00 0.00 O ATOM 0 H ASP A 20 -10.308 12.884 14.626 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.612 13.210 15.767 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.368 14.028 16.773 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.857 14.355 17.599 1.00 0.00 H new ATOM 270 N ASN A 21 -8.689 10.601 16.216 1.00 0.00 N ATOM 271 CA ASN A 21 -8.794 9.349 16.956 1.00 0.00 C ATOM 272 C ASN A 21 -7.548 8.492 16.753 1.00 0.00 C ATOM 273 O ASN A 21 -7.165 8.193 15.621 1.00 0.00 O ATOM 274 CB ASN A 21 -10.037 8.574 16.515 1.00 0.00 C ATOM 275 CG ASN A 21 -11.321 9.206 17.019 1.00 0.00 C ATOM 276 OD1 ASN A 21 -11.354 9.794 18.100 1.00 0.00 O ATOM 277 ND2 ASN A 21 -12.386 9.086 16.235 1.00 0.00 N ATOM 0 H ASN A 21 -8.528 10.487 15.215 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.881 9.588 18.016 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.063 8.523 15.426 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.972 7.549 16.881 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.278 9.490 16.521 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.312 8.590 15.347 1.00 0.00 H new ATOM 284 N CYS A 22 -6.921 8.099 17.856 1.00 0.00 N ATOM 285 CA CYS A 22 -5.718 7.276 17.799 1.00 0.00 C ATOM 286 C CYS A 22 -5.992 5.961 17.075 1.00 0.00 C ATOM 287 O CYS A 22 -5.191 5.515 16.254 1.00 0.00 O ATOM 288 CB CYS A 22 -5.199 6.996 19.211 1.00 0.00 C ATOM 289 SG CYS A 22 -4.337 8.392 19.970 1.00 0.00 S ATOM 0 H CYS A 22 -7.225 8.337 18.800 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.958 7.825 17.242 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.039 6.713 19.846 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.523 6.141 19.176 1.00 0.00 H new ATOM 0 HG CYS A 22 -3.938 8.060 21.162 1.00 0.00 H new ATOM 295 N SER A 23 -7.128 5.346 17.387 1.00 0.00 N ATOM 296 CA SER A 23 -7.505 4.079 16.770 1.00 0.00 C ATOM 297 C SER A 23 -7.312 4.133 15.258 1.00 0.00 C ATOM 298 O SER A 23 -6.784 3.199 14.654 1.00 0.00 O ATOM 299 CB SER A 23 -8.961 3.742 17.099 1.00 0.00 C ATOM 300 OG SER A 23 -9.835 4.762 16.648 1.00 0.00 O ATOM 0 H SER A 23 -7.803 5.704 18.063 1.00 0.00 H new ATOM 0 HA SER A 23 -6.859 3.299 17.173 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.232 2.794 16.634 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.073 3.612 18.175 1.00 0.00 H new ATOM 0 HG SER A 23 -10.759 4.522 16.869 1.00 0.00 H new ATOM 306 N LEU A 24 -7.745 5.233 14.651 1.00 0.00 N ATOM 307 CA LEU A 24 -7.620 5.411 13.209 1.00 0.00 C ATOM 308 C LEU A 24 -6.291 6.070 12.854 1.00 0.00 C ATOM 309 O LEU A 24 -5.582 6.571 13.727 1.00 0.00 O ATOM 310 CB LEU A 24 -8.780 6.256 12.677 1.00 0.00 C ATOM 311 CG LEU A 24 -10.185 5.735 12.983 1.00 0.00 C ATOM 312 CD1 LEU A 24 -11.232 6.770 12.602 1.00 0.00 C ATOM 313 CD2 LEU A 24 -10.438 4.424 12.254 1.00 0.00 C ATOM 0 H LEU A 24 -8.186 6.015 15.136 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.652 4.426 12.742 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.689 7.261 13.088 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.674 6.343 11.596 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.259 5.551 14.055 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.226 6.382 12.827 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.063 7.685 13.170 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.159 6.986 11.536 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.442 4.068 12.483 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.345 4.581 11.179 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.708 3.682 12.576 1.00 0.00 H new ATOM 325 N LEU A 25 -5.961 6.067 11.567 1.00 0.00 N ATOM 326 CA LEU A 25 -4.718 6.667 11.095 1.00 0.00 C ATOM 327 C LEU A 25 -4.975 8.037 10.475 1.00 0.00 C ATOM 328 O LEU A 25 -5.849 8.188 9.622 1.00 0.00 O ATOM 329 CB LEU A 25 -4.042 5.751 10.074 1.00 0.00 C ATOM 330 CG LEU A 25 -2.745 6.275 9.456 1.00 0.00 C ATOM 331 CD1 LEU A 25 -1.696 6.506 10.533 1.00 0.00 C ATOM 332 CD2 LEU A 25 -2.227 5.307 8.402 1.00 0.00 C ATOM 0 H LEU A 25 -6.537 5.656 10.832 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.057 6.795 11.952 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.831 4.796 10.556 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.750 5.552 9.269 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.955 7.229 8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.780 6.879 10.075 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.066 7.238 11.251 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.489 5.567 11.046 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.304 5.696 7.973 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.033 4.338 8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.973 5.193 7.615 1.00 0.00 H new ATOM 344 N SER A 26 -4.206 9.031 10.908 1.00 0.00 N ATOM 345 CA SER A 26 -4.352 10.388 10.396 1.00 0.00 C ATOM 346 C SER A 26 -3.335 10.665 9.293 1.00 0.00 C ATOM 347 O SER A 26 -2.179 10.990 9.565 1.00 0.00 O ATOM 348 CB SER A 26 -4.181 11.403 11.528 1.00 0.00 C ATOM 349 OG SER A 26 -2.846 11.418 12.004 1.00 0.00 O ATOM 0 H SER A 26 -3.476 8.922 11.612 1.00 0.00 H new ATOM 0 HA SER A 26 -5.353 10.486 9.976 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.455 12.397 11.174 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.859 11.158 12.346 1.00 0.00 H new ATOM 0 HG SER A 26 -2.231 11.250 11.259 1.00 0.00 H new ATOM 355 N PHE A 27 -3.775 10.533 8.046 1.00 0.00 N ATOM 356 CA PHE A 27 -2.904 10.767 6.900 1.00 0.00 C ATOM 357 C PHE A 27 -3.592 11.655 5.866 1.00 0.00 C ATOM 358 O PHE A 27 -4.819 11.754 5.835 1.00 0.00 O ATOM 359 CB PHE A 27 -2.500 9.438 6.259 1.00 0.00 C ATOM 360 CG PHE A 27 -3.641 8.724 5.590 1.00 0.00 C ATOM 361 CD1 PHE A 27 -4.237 9.252 4.457 1.00 0.00 C ATOM 362 CD2 PHE A 27 -4.116 7.525 6.096 1.00 0.00 C ATOM 363 CE1 PHE A 27 -5.287 8.598 3.841 1.00 0.00 C ATOM 364 CE2 PHE A 27 -5.165 6.865 5.484 1.00 0.00 C ATOM 365 CZ PHE A 27 -5.750 7.402 4.354 1.00 0.00 C ATOM 0 H PHE A 27 -4.729 10.265 7.803 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.009 11.278 7.254 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.716 9.621 5.524 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.074 8.789 7.024 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.877 10.185 4.050 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.661 7.101 6.979 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.745 9.022 2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.526 5.931 5.889 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.568 6.888 3.872 1.00 0.00 H new ATOM 375 N HIS A 28 -2.793 12.299 5.022 1.00 0.00 N ATOM 376 CA HIS A 28 -3.324 13.179 3.987 1.00 0.00 C ATOM 377 C HIS A 28 -3.255 12.510 2.618 1.00 0.00 C ATOM 378 O HIS A 28 -2.666 11.439 2.468 1.00 0.00 O ATOM 379 CB HIS A 28 -2.550 14.497 3.962 1.00 0.00 C ATOM 380 CG HIS A 28 -2.495 15.185 5.292 1.00 0.00 C ATOM 381 ND1 HIS A 28 -3.347 16.064 5.870 1.00 0.00 N flip ATOM 382 CD2 HIS A 28 -1.469 14.998 6.194 1.00 0.00 C flip ATOM 383 CE1 HIS A 28 -2.826 16.388 7.099 1.00 0.00 C flip ATOM 384 NE2 HIS A 28 -1.693 15.731 7.270 1.00 0.00 N flip ATOM 0 H HIS A 28 -1.776 12.228 5.034 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.369 13.384 4.220 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.533 14.305 3.619 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.011 15.166 3.235 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.616 14.353 6.044 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -3.270 17.069 7.810 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -1.093 15.781 8.093 1.00 0.00 H new ATOM 393 N ARG A 29 -3.862 13.147 1.622 1.00 0.00 N ATOM 394 CA ARG A 29 -3.872 12.612 0.266 1.00 0.00 C ATOM 395 C ARG A 29 -2.456 12.536 -0.299 1.00 0.00 C ATOM 396 O ARG A 29 -1.686 13.490 -0.200 1.00 0.00 O ATOM 397 CB ARG A 29 -4.748 13.479 -0.641 1.00 0.00 C ATOM 398 CG ARG A 29 -4.150 14.843 -0.942 1.00 0.00 C ATOM 399 CD ARG A 29 -5.019 15.631 -1.910 1.00 0.00 C ATOM 400 NE ARG A 29 -4.792 17.070 -1.803 1.00 0.00 N ATOM 401 CZ ARG A 29 -5.553 17.980 -2.400 1.00 0.00 C ATOM 402 NH1 ARG A 29 -6.585 17.603 -3.143 1.00 0.00 N ATOM 403 NH2 ARG A 29 -5.282 19.271 -2.256 1.00 0.00 N ATOM 0 H ARG A 29 -4.353 14.034 1.729 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.285 11.604 0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.919 12.951 -1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.722 13.614 -0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.036 15.404 -0.015 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.153 14.719 -1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.812 15.306 -2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.069 15.414 -1.713 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.006 17.394 -1.239 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.796 16.612 -3.257 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.168 18.304 -3.600 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.489 19.565 -1.686 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.867 19.969 -2.715 1.00 0.00 H new ATOM 417 N GLY A 30 -2.121 11.394 -0.891 1.00 0.00 N ATOM 418 CA GLY A 30 -0.799 11.214 -1.462 1.00 0.00 C ATOM 419 C GLY A 30 0.153 10.516 -0.511 1.00 0.00 C ATOM 420 O GLY A 30 1.024 9.758 -0.939 1.00 0.00 O ATOM 0 H GLY A 30 -2.742 10.590 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.880 10.634 -2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.388 12.186 -1.734 1.00 0.00 H new ATOM 424 N ASP A 31 -0.012 10.772 0.782 1.00 0.00 N ATOM 425 CA ASP A 31 0.841 10.162 1.797 1.00 0.00 C ATOM 426 C ASP A 31 0.884 8.646 1.631 1.00 0.00 C ATOM 427 O ASP A 31 -0.045 7.941 2.026 1.00 0.00 O ATOM 428 CB ASP A 31 0.339 10.520 3.197 1.00 0.00 C ATOM 429 CG ASP A 31 0.942 11.811 3.715 1.00 0.00 C ATOM 430 OD1 ASP A 31 2.181 11.873 3.853 1.00 0.00 O ATOM 431 OD2 ASP A 31 0.174 12.759 3.984 1.00 0.00 O ATOM 0 H ASP A 31 -0.728 11.397 1.153 1.00 0.00 H new ATOM 0 HA ASP A 31 1.851 10.552 1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.747 10.611 3.178 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.579 9.709 3.884 1.00 0.00 H new ATOM 436 N LEU A 32 1.968 8.152 1.042 1.00 0.00 N ATOM 437 CA LEU A 32 2.133 6.719 0.822 1.00 0.00 C ATOM 438 C LEU A 32 2.087 5.957 2.143 1.00 0.00 C ATOM 439 O LEU A 32 2.988 6.080 2.973 1.00 0.00 O ATOM 440 CB LEU A 32 3.456 6.442 0.106 1.00 0.00 C ATOM 441 CG LEU A 32 3.818 4.970 -0.089 1.00 0.00 C ATOM 442 CD1 LEU A 32 3.264 4.453 -1.408 1.00 0.00 C ATOM 443 CD2 LEU A 32 5.326 4.779 -0.031 1.00 0.00 C ATOM 0 H LEU A 32 2.745 8.722 0.708 1.00 0.00 H new ATOM 0 HA LEU A 32 1.310 6.375 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.423 6.920 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.258 6.921 0.668 1.00 0.00 H new ATOM 0 HG LEU A 32 3.368 4.396 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.532 3.403 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.179 4.553 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.684 5.032 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.565 3.725 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.798 5.366 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.697 5.109 0.939 1.00 0.00 H new ATOM 455 N ILE A 33 1.034 5.168 2.328 1.00 0.00 N ATOM 456 CA ILE A 33 0.873 4.383 3.546 1.00 0.00 C ATOM 457 C ILE A 33 1.652 3.075 3.464 1.00 0.00 C ATOM 458 O ILE A 33 1.388 2.235 2.604 1.00 0.00 O ATOM 459 CB ILE A 33 -0.609 4.069 3.821 1.00 0.00 C ATOM 460 CG1 ILE A 33 -1.419 5.363 3.913 1.00 0.00 C ATOM 461 CG2 ILE A 33 -0.749 3.258 5.101 1.00 0.00 C ATOM 462 CD1 ILE A 33 -2.884 5.185 3.579 1.00 0.00 C ATOM 0 H ILE A 33 0.280 5.055 1.650 1.00 0.00 H new ATOM 0 HA ILE A 33 1.266 4.986 4.365 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.999 3.477 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.331 5.766 4.922 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.988 6.101 3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.802 3.044 5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.200 2.322 5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.345 3.827 5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.396 6.143 3.665 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.982 4.812 2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.331 4.472 4.271 1.00 0.00 H new ATOM 474 N LYS A 34 2.614 2.908 4.365 1.00 0.00 N ATOM 475 CA LYS A 34 3.431 1.701 4.398 1.00 0.00 C ATOM 476 C LYS A 34 2.659 0.538 5.013 1.00 0.00 C ATOM 477 O LYS A 34 2.189 0.623 6.149 1.00 0.00 O ATOM 478 CB LYS A 34 4.715 1.951 5.192 1.00 0.00 C ATOM 479 CG LYS A 34 5.818 0.949 4.897 1.00 0.00 C ATOM 480 CD LYS A 34 6.844 0.902 6.017 1.00 0.00 C ATOM 481 CE LYS A 34 7.873 -0.193 5.785 1.00 0.00 C ATOM 482 NZ LYS A 34 9.016 0.285 4.959 1.00 0.00 N ATOM 0 H LYS A 34 2.847 3.594 5.083 1.00 0.00 H new ATOM 0 HA LYS A 34 3.690 1.440 3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.079 2.955 4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.485 1.922 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.384 -0.041 4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.311 1.214 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.347 1.866 6.091 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.339 0.732 6.968 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.244 -0.552 6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.397 -1.040 5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.865 -0.270 5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.788 0.170 3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.195 1.289 5.161 1.00 0.00 H new ATOM 496 N LEU A 35 2.534 -0.548 4.259 1.00 0.00 N ATOM 497 CA LEU A 35 1.820 -1.729 4.731 1.00 0.00 C ATOM 498 C LEU A 35 2.663 -2.510 5.734 1.00 0.00 C ATOM 499 O LEU A 35 3.758 -2.973 5.413 1.00 0.00 O ATOM 500 CB LEU A 35 1.447 -2.629 3.551 1.00 0.00 C ATOM 501 CG LEU A 35 0.131 -2.300 2.846 1.00 0.00 C ATOM 502 CD1 LEU A 35 -1.009 -2.226 3.850 1.00 0.00 C ATOM 503 CD2 LEU A 35 0.251 -0.993 2.075 1.00 0.00 C ATOM 0 H LEU A 35 2.918 -0.635 3.318 1.00 0.00 H new ATOM 0 HA LEU A 35 0.909 -1.398 5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.251 -2.583 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.398 -3.658 3.906 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.088 -3.098 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.937 -1.991 3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.110 -3.186 4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.798 -1.448 4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.695 -0.775 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.494 -0.185 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.040 -1.082 1.328 1.00 0.00 H new ATOM 515 N LEU A 36 2.144 -2.654 6.948 1.00 0.00 N ATOM 516 CA LEU A 36 2.848 -3.382 7.999 1.00 0.00 C ATOM 517 C LEU A 36 2.403 -4.840 8.044 1.00 0.00 C ATOM 518 O LEU A 36 1.251 -5.172 7.765 1.00 0.00 O ATOM 519 CB LEU A 36 2.603 -2.720 9.356 1.00 0.00 C ATOM 520 CG LEU A 36 3.237 -1.343 9.556 1.00 0.00 C ATOM 521 CD1 LEU A 36 2.669 -0.668 10.795 1.00 0.00 C ATOM 522 CD2 LEU A 36 4.751 -1.463 9.658 1.00 0.00 C ATOM 0 H LEU A 36 1.239 -2.277 7.229 1.00 0.00 H new ATOM 0 HA LEU A 36 3.914 -3.354 7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.527 -2.627 9.503 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.975 -3.386 10.135 1.00 0.00 H new ATOM 0 HG LEU A 36 2.999 -0.725 8.690 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.132 0.311 10.921 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.592 -0.548 10.682 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.876 -1.283 11.671 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.186 -0.474 9.800 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.009 -2.098 10.505 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.144 -1.904 8.742 1.00 0.00 H new ATOM 534 N PRO A 37 3.336 -5.733 8.405 1.00 0.00 N ATOM 535 CA PRO A 37 3.063 -7.170 8.497 1.00 0.00 C ATOM 536 C PRO A 37 2.144 -7.511 9.666 1.00 0.00 C ATOM 537 O PRO A 37 2.560 -7.484 10.824 1.00 0.00 O ATOM 538 CB PRO A 37 4.450 -7.782 8.711 1.00 0.00 C ATOM 539 CG PRO A 37 5.253 -6.692 9.334 1.00 0.00 C ATOM 540 CD PRO A 37 4.730 -5.408 8.751 1.00 0.00 C ATOM 0 HA PRO A 37 2.549 -7.545 7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.401 -8.657 9.359 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.889 -8.108 7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.147 -6.700 10.419 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.314 -6.816 9.117 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.785 -4.589 9.468 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.301 -5.103 7.874 1.00 0.00 H new ATOM 548 N VAL A 38 0.893 -7.834 9.354 1.00 0.00 N ATOM 549 CA VAL A 38 -0.084 -8.182 10.378 1.00 0.00 C ATOM 550 C VAL A 38 -0.696 -9.553 10.110 1.00 0.00 C ATOM 551 O VAL A 38 -1.011 -9.891 8.970 1.00 0.00 O ATOM 552 CB VAL A 38 -1.212 -7.135 10.457 1.00 0.00 C ATOM 553 CG1 VAL A 38 -1.783 -6.861 9.075 1.00 0.00 C ATOM 554 CG2 VAL A 38 -2.302 -7.599 11.412 1.00 0.00 C ATOM 0 H VAL A 38 0.533 -7.862 8.400 1.00 0.00 H new ATOM 0 HA VAL A 38 0.448 -8.204 11.329 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.795 -6.204 10.842 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.578 -6.119 9.150 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.995 -6.483 8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.186 -7.784 8.658 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.091 -6.848 11.456 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.718 -8.542 11.058 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.879 -7.739 12.407 1.00 0.00 H new ATOM 564 N ALA A 39 -0.862 -10.338 11.170 1.00 0.00 N ATOM 565 CA ALA A 39 -1.438 -11.671 11.050 1.00 0.00 C ATOM 566 C ALA A 39 -2.875 -11.604 10.544 1.00 0.00 C ATOM 567 O ALA A 39 -3.187 -12.101 9.461 1.00 0.00 O ATOM 568 CB ALA A 39 -1.381 -12.393 12.388 1.00 0.00 C ATOM 0 H ALA A 39 -0.606 -10.073 12.121 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.850 -12.230 10.323 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.815 -13.388 12.284 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.343 -12.482 12.710 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.944 -11.828 13.131 1.00 0.00 H new ATOM 574 N THR A 40 -3.748 -10.988 11.334 1.00 0.00 N ATOM 575 CA THR A 40 -5.153 -10.858 10.967 1.00 0.00 C ATOM 576 C THR A 40 -5.592 -9.398 10.982 1.00 0.00 C ATOM 577 O THR A 40 -5.127 -8.607 11.804 1.00 0.00 O ATOM 578 CB THR A 40 -6.058 -11.665 11.917 1.00 0.00 C ATOM 579 OG1 THR A 40 -7.405 -11.663 11.429 1.00 0.00 O ATOM 580 CG2 THR A 40 -6.023 -11.084 13.322 1.00 0.00 C ATOM 0 H THR A 40 -3.507 -10.571 12.233 1.00 0.00 H new ATOM 0 HA THR A 40 -5.254 -11.254 9.957 1.00 0.00 H new ATOM 0 HB THR A 40 -5.686 -12.689 11.955 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.974 -12.179 12.037 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.670 -11.671 13.975 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.002 -11.113 13.702 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.372 -10.052 13.298 1.00 0.00 H new ATOM 588 N LEU A 41 -6.491 -9.047 10.069 1.00 0.00 N ATOM 589 CA LEU A 41 -6.994 -7.681 9.977 1.00 0.00 C ATOM 590 C LEU A 41 -8.519 -7.661 9.981 1.00 0.00 C ATOM 591 O LEU A 41 -9.163 -8.708 9.923 1.00 0.00 O ATOM 592 CB LEU A 41 -6.468 -7.006 8.710 1.00 0.00 C ATOM 593 CG LEU A 41 -5.079 -6.373 8.813 1.00 0.00 C ATOM 594 CD1 LEU A 41 -4.476 -6.180 7.431 1.00 0.00 C ATOM 595 CD2 LEU A 41 -5.151 -5.047 9.556 1.00 0.00 C ATOM 0 H LEU A 41 -6.886 -9.689 9.382 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.639 -7.131 10.848 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.450 -7.745 7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.177 -6.233 8.414 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.434 -7.048 9.376 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.488 -5.729 7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.388 -7.146 6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.119 -5.526 6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.154 -4.611 9.620 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.812 -4.365 9.020 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.539 -5.214 10.561 1.00 0.00 H new ATOM 607 N GLU A 42 -9.091 -6.462 10.049 1.00 0.00 N ATOM 608 CA GLU A 42 -10.541 -6.308 10.059 1.00 0.00 C ATOM 609 C GLU A 42 -11.096 -6.294 8.638 1.00 0.00 C ATOM 610 O GLU A 42 -10.379 -6.052 7.666 1.00 0.00 O ATOM 611 CB GLU A 42 -10.933 -5.019 10.784 1.00 0.00 C ATOM 612 CG GLU A 42 -11.143 -5.200 12.278 1.00 0.00 C ATOM 613 CD GLU A 42 -9.849 -5.476 13.019 1.00 0.00 C ATOM 614 OE1 GLU A 42 -9.020 -4.549 13.133 1.00 0.00 O ATOM 615 OE2 GLU A 42 -9.665 -6.620 13.486 1.00 0.00 O ATOM 0 H GLU A 42 -8.573 -5.585 10.098 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.968 -7.159 10.589 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.157 -4.271 10.623 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.849 -4.628 10.342 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.608 -4.303 12.687 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.837 -6.024 12.447 1.00 0.00 H new ATOM 622 N PRO A 43 -12.405 -6.561 8.512 1.00 0.00 N ATOM 623 CA PRO A 43 -13.086 -6.586 7.214 1.00 0.00 C ATOM 624 C PRO A 43 -13.210 -5.197 6.598 1.00 0.00 C ATOM 625 O PRO A 43 -14.086 -4.418 6.970 1.00 0.00 O ATOM 626 CB PRO A 43 -14.470 -7.147 7.551 1.00 0.00 C ATOM 627 CG PRO A 43 -14.679 -6.804 8.985 1.00 0.00 C ATOM 628 CD PRO A 43 -13.320 -6.859 9.626 1.00 0.00 C ATOM 0 HA PRO A 43 -12.539 -7.175 6.478 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.241 -6.703 6.921 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.510 -8.225 7.392 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -15.120 -5.812 9.089 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.363 -7.508 9.459 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.225 -6.129 10.430 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -13.120 -7.839 10.060 1.00 0.00 H new ATOM 636 N GLY A 44 -12.327 -4.893 5.652 1.00 0.00 N ATOM 637 CA GLY A 44 -12.355 -3.597 4.999 1.00 0.00 C ATOM 638 C GLY A 44 -11.494 -2.571 5.708 1.00 0.00 C ATOM 639 O GLY A 44 -11.801 -1.379 5.696 1.00 0.00 O ATOM 0 H GLY A 44 -11.592 -5.521 5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.013 -3.705 3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.383 -3.237 4.957 1.00 0.00 H new ATOM 643 N TRP A 45 -10.416 -3.034 6.330 1.00 0.00 N ATOM 644 CA TRP A 45 -9.509 -2.148 7.050 1.00 0.00 C ATOM 645 C TRP A 45 -8.056 -2.465 6.713 1.00 0.00 C ATOM 646 O TRP A 45 -7.743 -3.560 6.248 1.00 0.00 O ATOM 647 CB TRP A 45 -9.734 -2.270 8.558 1.00 0.00 C ATOM 648 CG TRP A 45 -11.055 -1.723 9.007 1.00 0.00 C ATOM 649 CD1 TRP A 45 -12.242 -2.396 9.068 1.00 0.00 C ATOM 650 CD2 TRP A 45 -11.324 -0.391 9.457 1.00 0.00 C ATOM 651 NE1 TRP A 45 -13.233 -1.562 9.528 1.00 0.00 N ATOM 652 CE2 TRP A 45 -12.694 -0.326 9.775 1.00 0.00 C ATOM 653 CE3 TRP A 45 -10.539 0.753 9.624 1.00 0.00 C ATOM 654 CZ2 TRP A 45 -13.294 0.837 10.248 1.00 0.00 C ATOM 655 CZ3 TRP A 45 -11.136 1.908 10.093 1.00 0.00 C ATOM 656 CH2 TRP A 45 -12.503 1.943 10.402 1.00 0.00 C ATOM 0 H TRP A 45 -10.149 -4.018 6.350 1.00 0.00 H new ATOM 0 HA TRP A 45 -9.719 -1.124 6.740 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -9.667 -3.320 8.844 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -8.935 -1.745 9.081 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -12.381 -3.432 8.795 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -14.210 -1.821 9.664 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.485 0.735 9.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.347 0.866 10.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.539 2.799 10.224 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.940 2.860 10.768 1.00 0.00 H new ATOM 667 N GLN A 46 -7.174 -1.500 6.951 1.00 0.00 N ATOM 668 CA GLN A 46 -5.754 -1.678 6.672 1.00 0.00 C ATOM 669 C GLN A 46 -4.902 -1.154 7.824 1.00 0.00 C ATOM 670 O GLN A 46 -5.157 -0.074 8.356 1.00 0.00 O ATOM 671 CB GLN A 46 -5.374 -0.962 5.375 1.00 0.00 C ATOM 672 CG GLN A 46 -5.954 -1.611 4.129 1.00 0.00 C ATOM 673 CD GLN A 46 -5.509 -0.925 2.852 1.00 0.00 C ATOM 674 OE1 GLN A 46 -6.043 0.119 2.476 1.00 0.00 O ATOM 675 NE2 GLN A 46 -4.527 -1.510 2.177 1.00 0.00 N ATOM 0 H GLN A 46 -7.417 -0.587 7.336 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.563 -2.745 6.559 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.714 0.072 5.428 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.288 -0.936 5.289 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.655 -2.659 4.097 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.042 -1.592 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.113 -2.375 2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.186 -1.095 1.310 1.00 0.00 H new ATOM 684 N PHE A 47 -3.891 -1.927 8.204 1.00 0.00 N ATOM 685 CA PHE A 47 -3.002 -1.542 9.295 1.00 0.00 C ATOM 686 C PHE A 47 -1.605 -1.223 8.771 1.00 0.00 C ATOM 687 O PHE A 47 -0.946 -2.072 8.172 1.00 0.00 O ATOM 688 CB PHE A 47 -2.925 -2.659 10.337 1.00 0.00 C ATOM 689 CG PHE A 47 -2.172 -2.271 11.577 1.00 0.00 C ATOM 690 CD1 PHE A 47 -2.633 -1.251 12.393 1.00 0.00 C ATOM 691 CD2 PHE A 47 -1.003 -2.927 11.927 1.00 0.00 C ATOM 692 CE1 PHE A 47 -1.941 -0.891 13.534 1.00 0.00 C ATOM 693 CE2 PHE A 47 -0.307 -2.572 13.067 1.00 0.00 C ATOM 694 CZ PHE A 47 -0.777 -1.554 13.872 1.00 0.00 C ATOM 0 H PHE A 47 -3.666 -2.824 7.773 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.409 -0.646 9.763 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.936 -2.957 10.614 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.447 -3.530 9.889 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.544 -0.731 12.135 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.631 -3.725 11.302 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.310 -0.092 14.161 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.604 -3.091 13.328 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.236 -1.276 14.764 1.00 0.00 H new ATOM 704 N GLY A 48 -1.160 0.009 9.000 1.00 0.00 N ATOM 705 CA GLY A 48 0.155 0.420 8.545 1.00 0.00 C ATOM 706 C GLY A 48 0.610 1.717 9.183 1.00 0.00 C ATOM 707 O GLY A 48 -0.056 2.247 10.072 1.00 0.00 O ATOM 0 H GLY A 48 -1.687 0.730 9.493 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.876 -0.365 8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.141 0.537 7.461 1.00 0.00 H new ATOM 711 N SER A 49 1.749 2.230 8.729 1.00 0.00 N ATOM 712 CA SER A 49 2.296 3.471 9.265 1.00 0.00 C ATOM 713 C SER A 49 2.289 4.570 8.207 1.00 0.00 C ATOM 714 O SER A 49 2.633 4.334 7.049 1.00 0.00 O ATOM 715 CB SER A 49 3.721 3.247 9.775 1.00 0.00 C ATOM 716 OG SER A 49 4.174 4.358 10.529 1.00 0.00 O ATOM 0 H SER A 49 2.311 1.805 7.991 1.00 0.00 H new ATOM 0 HA SER A 49 1.666 3.787 10.096 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.753 2.348 10.391 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.390 3.079 8.931 1.00 0.00 H new ATOM 0 HG SER A 49 3.404 4.880 10.837 1.00 0.00 H new ATOM 722 N ALA A 50 1.895 5.772 8.614 1.00 0.00 N ATOM 723 CA ALA A 50 1.844 6.909 7.703 1.00 0.00 C ATOM 724 C ALA A 50 2.514 8.134 8.315 1.00 0.00 C ATOM 725 O ALA A 50 1.849 9.109 8.663 1.00 0.00 O ATOM 726 CB ALA A 50 0.403 7.223 7.331 1.00 0.00 C ATOM 0 H ALA A 50 1.606 5.984 9.569 1.00 0.00 H new ATOM 0 HA ALA A 50 2.391 6.643 6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.380 8.074 6.650 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.044 6.357 6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.161 7.464 8.232 1.00 0.00 H new ATOM 732 N GLY A 51 3.836 8.077 8.446 1.00 0.00 N ATOM 733 CA GLY A 51 4.574 9.188 9.018 1.00 0.00 C ATOM 734 C GLY A 51 4.991 8.930 10.452 1.00 0.00 C ATOM 735 O GLY A 51 4.824 9.787 11.319 1.00 0.00 O ATOM 0 H GLY A 51 4.409 7.281 8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.461 9.380 8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.960 10.087 8.978 1.00 0.00 H new ATOM 739 N GLY A 52 5.534 7.743 10.705 1.00 0.00 N ATOM 740 CA GLY A 52 5.967 7.395 12.045 1.00 0.00 C ATOM 741 C GLY A 52 4.829 6.884 12.907 1.00 0.00 C ATOM 742 O GLY A 52 5.035 6.051 13.790 1.00 0.00 O ATOM 0 H GLY A 52 5.682 7.016 10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.745 6.633 11.986 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.413 8.270 12.518 1.00 0.00 H new ATOM 746 N ARG A 53 3.624 7.385 12.652 1.00 0.00 N ATOM 747 CA ARG A 53 2.450 6.976 13.413 1.00 0.00 C ATOM 748 C ARG A 53 1.676 5.888 12.675 1.00 0.00 C ATOM 749 O ARG A 53 1.507 5.949 11.458 1.00 0.00 O ATOM 750 CB ARG A 53 1.540 8.178 13.672 1.00 0.00 C ATOM 751 CG ARG A 53 1.024 8.836 12.402 1.00 0.00 C ATOM 752 CD ARG A 53 0.688 10.301 12.631 1.00 0.00 C ATOM 753 NE ARG A 53 0.512 11.025 11.374 1.00 0.00 N ATOM 754 CZ ARG A 53 0.198 12.314 11.306 1.00 0.00 C ATOM 755 NH1 ARG A 53 0.027 13.017 12.417 1.00 0.00 N ATOM 756 NH2 ARG A 53 0.055 12.902 10.125 1.00 0.00 N ATOM 0 H ARG A 53 3.436 8.075 11.924 1.00 0.00 H new ATOM 0 HA ARG A 53 2.789 6.573 14.367 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.691 7.857 14.276 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.086 8.917 14.258 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.775 8.752 11.617 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.137 8.308 12.052 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.224 10.376 13.223 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.484 10.769 13.211 1.00 0.00 H new ATOM 0 HE ARG A 53 0.637 10.513 10.501 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.137 12.568 13.326 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.214 14.007 12.362 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.186 12.364 9.268 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.186 13.892 10.074 1.00 0.00 H new ATOM 770 N SER A 54 1.209 4.892 13.422 1.00 0.00 N ATOM 771 CA SER A 54 0.457 3.787 12.838 1.00 0.00 C ATOM 772 C SER A 54 -1.015 3.865 13.232 1.00 0.00 C ATOM 773 O SER A 54 -1.359 4.382 14.293 1.00 0.00 O ATOM 774 CB SER A 54 1.046 2.448 13.286 1.00 0.00 C ATOM 775 OG SER A 54 0.836 2.236 14.671 1.00 0.00 O ATOM 0 H SER A 54 1.338 4.828 14.432 1.00 0.00 H new ATOM 0 HA SER A 54 0.530 3.863 11.753 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.589 1.638 12.718 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.114 2.426 13.070 1.00 0.00 H new ATOM 0 HG SER A 54 1.220 1.373 14.932 1.00 0.00 H new ATOM 781 N GLY A 55 -1.881 3.346 12.366 1.00 0.00 N ATOM 782 CA GLY A 55 -3.306 3.366 12.639 1.00 0.00 C ATOM 783 C GLY A 55 -4.089 2.466 11.704 1.00 0.00 C ATOM 784 O GLY A 55 -3.516 1.833 10.816 1.00 0.00 O ATOM 0 H GLY A 55 -1.621 2.912 11.480 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.480 3.054 13.669 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.676 4.387 12.549 1.00 0.00 H new ATOM 788 N LEU A 56 -5.401 2.406 11.904 1.00 0.00 N ATOM 789 CA LEU A 56 -6.264 1.574 11.072 1.00 0.00 C ATOM 790 C LEU A 56 -7.129 2.433 10.156 1.00 0.00 C ATOM 791 O LEU A 56 -8.071 3.086 10.606 1.00 0.00 O ATOM 792 CB LEU A 56 -7.152 0.690 11.949 1.00 0.00 C ATOM 793 CG LEU A 56 -6.477 -0.534 12.570 1.00 0.00 C ATOM 794 CD1 LEU A 56 -7.313 -1.080 13.716 1.00 0.00 C ATOM 795 CD2 LEU A 56 -6.247 -1.607 11.516 1.00 0.00 C ATOM 0 H LEU A 56 -5.890 2.923 12.634 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.629 0.940 10.453 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.559 1.303 12.753 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.996 0.349 11.350 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.509 -0.230 12.967 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.817 -1.950 14.146 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.426 -0.312 14.482 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.296 -1.369 13.344 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.766 -2.471 11.975 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.203 -1.909 11.089 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.607 -1.211 10.728 1.00 0.00 H new ATOM 807 N PHE A 57 -6.804 2.427 8.867 1.00 0.00 N ATOM 808 CA PHE A 57 -7.552 3.206 7.887 1.00 0.00 C ATOM 809 C PHE A 57 -8.331 2.291 6.946 1.00 0.00 C ATOM 810 O PHE A 57 -7.955 1.144 6.701 1.00 0.00 O ATOM 811 CB PHE A 57 -6.604 4.096 7.080 1.00 0.00 C ATOM 812 CG PHE A 57 -5.574 3.327 6.304 1.00 0.00 C ATOM 813 CD1 PHE A 57 -4.457 2.806 6.938 1.00 0.00 C ATOM 814 CD2 PHE A 57 -5.722 3.123 4.942 1.00 0.00 C ATOM 815 CE1 PHE A 57 -3.506 2.098 6.226 1.00 0.00 C ATOM 816 CE2 PHE A 57 -4.776 2.416 4.225 1.00 0.00 C ATOM 817 CZ PHE A 57 -3.667 1.902 4.868 1.00 0.00 C ATOM 0 H PHE A 57 -6.028 1.892 8.477 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.261 3.835 8.425 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.189 4.703 6.389 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.098 4.783 7.758 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.328 2.955 8.000 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.588 3.522 4.434 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.639 1.699 6.731 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.904 2.265 3.163 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.927 1.348 4.310 1.00 0.00 H new ATOM 827 N PRO A 58 -9.445 2.808 6.407 1.00 0.00 N ATOM 828 CA PRO A 58 -10.301 2.055 5.486 1.00 0.00 C ATOM 829 C PRO A 58 -9.636 1.825 4.133 1.00 0.00 C ATOM 830 O PRO A 58 -8.958 2.707 3.606 1.00 0.00 O ATOM 831 CB PRO A 58 -11.531 2.954 5.330 1.00 0.00 C ATOM 832 CG PRO A 58 -11.035 4.328 5.623 1.00 0.00 C ATOM 833 CD PRO A 58 -9.954 4.167 6.655 1.00 0.00 C ATOM 0 HA PRO A 58 -10.529 1.058 5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.944 2.888 4.324 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.324 2.664 6.020 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.647 4.803 4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.839 4.962 5.996 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.172 4.917 6.538 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.346 4.271 7.667 1.00 0.00 H new ATOM 841 N ALA A 59 -9.834 0.635 3.576 1.00 0.00 N ATOM 842 CA ALA A 59 -9.255 0.290 2.284 1.00 0.00 C ATOM 843 C ALA A 59 -10.208 0.638 1.145 1.00 0.00 C ATOM 844 O ALA A 59 -10.225 -0.031 0.111 1.00 0.00 O ATOM 845 CB ALA A 59 -8.898 -1.189 2.243 1.00 0.00 C ATOM 0 H ALA A 59 -10.391 -0.107 4.000 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.345 0.876 2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.467 -1.432 1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.174 -1.410 3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.797 -1.785 2.400 1.00 0.00 H new ATOM 851 N ASP A 60 -11.000 1.686 1.342 1.00 0.00 N ATOM 852 CA ASP A 60 -11.956 2.123 0.330 1.00 0.00 C ATOM 853 C ASP A 60 -11.648 3.544 -0.131 1.00 0.00 C ATOM 854 O ASP A 60 -12.408 4.137 -0.896 1.00 0.00 O ATOM 855 CB ASP A 60 -13.381 2.049 0.880 1.00 0.00 C ATOM 856 CG ASP A 60 -13.917 0.631 0.912 1.00 0.00 C ATOM 857 OD1 ASP A 60 -14.031 0.016 -0.169 1.00 0.00 O ATOM 858 OD2 ASP A 60 -14.223 0.137 2.017 1.00 0.00 O ATOM 0 H ASP A 60 -10.999 2.249 2.193 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.871 1.456 -0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.400 2.464 1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.036 2.668 0.267 1.00 0.00 H new ATOM 863 N ILE A 61 -10.529 4.084 0.341 1.00 0.00 N ATOM 864 CA ILE A 61 -10.121 5.435 -0.023 1.00 0.00 C ATOM 865 C ILE A 61 -8.649 5.478 -0.418 1.00 0.00 C ATOM 866 O ILE A 61 -8.043 6.547 -0.482 1.00 0.00 O ATOM 867 CB ILE A 61 -10.360 6.426 1.131 1.00 0.00 C ATOM 868 CG1 ILE A 61 -9.248 6.305 2.175 1.00 0.00 C ATOM 869 CG2 ILE A 61 -11.720 6.179 1.768 1.00 0.00 C ATOM 870 CD1 ILE A 61 -9.413 7.248 3.346 1.00 0.00 C ATOM 0 H ILE A 61 -9.889 3.607 0.976 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.732 5.729 -0.876 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.347 7.439 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.219 5.280 2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.288 6.498 1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.874 6.887 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.502 6.310 1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.759 5.162 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.589 7.107 4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.412 8.277 2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.357 7.040 3.850 1.00 0.00 H new ATOM 882 N VAL A 62 -8.079 4.306 -0.683 1.00 0.00 N ATOM 883 CA VAL A 62 -6.678 4.209 -1.074 1.00 0.00 C ATOM 884 C VAL A 62 -6.508 3.301 -2.287 1.00 0.00 C ATOM 885 O VAL A 62 -7.249 2.334 -2.458 1.00 0.00 O ATOM 886 CB VAL A 62 -5.808 3.675 0.080 1.00 0.00 C ATOM 887 CG1 VAL A 62 -5.803 4.655 1.243 1.00 0.00 C ATOM 888 CG2 VAL A 62 -6.300 2.306 0.527 1.00 0.00 C ATOM 0 H VAL A 62 -8.566 3.411 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.350 5.217 -1.329 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.784 3.569 -0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.183 4.261 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.400 5.612 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.822 4.796 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.675 1.943 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.332 2.384 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.246 1.609 -0.309 1.00 0.00 H new ATOM 898 N GLN A 63 -5.527 3.620 -3.125 1.00 0.00 N ATOM 899 CA GLN A 63 -5.260 2.832 -4.323 1.00 0.00 C ATOM 900 C GLN A 63 -3.850 2.251 -4.289 1.00 0.00 C ATOM 901 O GLN A 63 -2.936 2.810 -3.682 1.00 0.00 O ATOM 902 CB GLN A 63 -5.440 3.692 -5.575 1.00 0.00 C ATOM 903 CG GLN A 63 -4.290 4.657 -5.821 1.00 0.00 C ATOM 904 CD GLN A 63 -4.255 5.171 -7.246 1.00 0.00 C ATOM 905 OE1 GLN A 63 -5.181 4.942 -8.024 1.00 0.00 O ATOM 906 NE2 GLN A 63 -3.182 5.871 -7.597 1.00 0.00 N ATOM 0 H GLN A 63 -4.904 4.418 -2.997 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.972 2.008 -4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.548 3.040 -6.441 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.367 4.259 -5.486 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.376 5.501 -5.136 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.347 4.158 -5.595 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.438 6.037 -6.920 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.103 6.242 -8.544 1.00 0.00 H new ATOM 915 N PRO A 64 -3.667 1.101 -4.955 1.00 0.00 N ATOM 916 CA PRO A 64 -2.371 0.419 -5.016 1.00 0.00 C ATOM 917 C PRO A 64 -1.354 1.182 -5.858 1.00 0.00 C ATOM 918 O PRO A 64 -1.711 1.844 -6.832 1.00 0.00 O ATOM 919 CB PRO A 64 -2.707 -0.923 -5.671 1.00 0.00 C ATOM 920 CG PRO A 64 -3.939 -0.658 -6.466 1.00 0.00 C ATOM 921 CD PRO A 64 -4.712 0.379 -5.700 1.00 0.00 C ATOM 0 HA PRO A 64 -1.913 0.326 -4.031 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.892 -1.268 -6.307 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.877 -1.697 -4.923 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.689 -0.300 -7.465 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.526 -1.568 -6.591 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.263 1.043 -6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.441 -0.077 -5.030 1.00 0.00 H new ATOM 929 N ALA A 65 -0.085 1.085 -5.475 1.00 0.00 N ATOM 930 CA ALA A 65 0.985 1.764 -6.197 1.00 0.00 C ATOM 931 C ALA A 65 2.269 0.942 -6.176 1.00 0.00 C ATOM 932 O ALA A 65 2.490 0.141 -5.268 1.00 0.00 O ATOM 933 CB ALA A 65 1.229 3.143 -5.602 1.00 0.00 C ATOM 0 H ALA A 65 0.227 0.543 -4.669 1.00 0.00 H new ATOM 0 HA ALA A 65 0.675 1.878 -7.236 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.030 3.639 -6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.318 3.737 -5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.514 3.042 -4.555 1.00 0.00 H new ATOM 939 N ALA A 66 3.112 1.145 -7.183 1.00 0.00 N ATOM 940 CA ALA A 66 4.375 0.424 -7.280 1.00 0.00 C ATOM 941 C ALA A 66 5.390 0.956 -6.274 1.00 0.00 C ATOM 942 O ALA A 66 5.527 2.167 -6.099 1.00 0.00 O ATOM 943 CB ALA A 66 4.930 0.518 -8.693 1.00 0.00 C ATOM 0 H ALA A 66 2.943 1.803 -7.944 1.00 0.00 H new ATOM 0 HA ALA A 66 4.185 -0.623 -7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.873 -0.025 -8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.217 0.082 -9.393 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.097 1.564 -8.949 1.00 0.00 H new ATOM 949 N ALA A 67 6.098 0.045 -5.615 1.00 0.00 N ATOM 950 CA ALA A 67 7.101 0.424 -4.628 1.00 0.00 C ATOM 951 C ALA A 67 8.143 1.357 -5.235 1.00 0.00 C ATOM 952 O ALA A 67 8.525 1.228 -6.398 1.00 0.00 O ATOM 953 CB ALA A 67 7.770 -0.816 -4.053 1.00 0.00 C ATOM 0 H ALA A 67 5.995 -0.961 -5.747 1.00 0.00 H new ATOM 0 HA ALA A 67 6.599 0.959 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.517 -0.518 -3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.020 -1.445 -3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.253 -1.374 -4.855 1.00 0.00 H new