USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 588 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 Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0579 USER MOD Single : A 37 GLN : amide:sc= 0.883 K(o=0.88,f=-9.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.1!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-1.8) USER MOD Single : A 77 HIS : no HE2:sc= -2.24 K(o=-2.2,f=-0.73) USER MOD Single : A 80 LYS NZ :NH3+ -165:sc=-0.000554 (180deg=-0.095) USER MOD Single : A 81 HIS : no HE2:sc= -1.26! C(o=-1.3!,f=-5.4!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 45:sc= 0.876 USER MOD Single : A 91 SER OG : rot -101:sc= 0.943 USER MOD Single : A 92 CYS SG : rot 180:sc= -1.85 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 98 SER OG : rot 180:sc= -0.24 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.931 K(o=-0.93,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -17.891 -0.323 6.962 1.00 0.00 N ATOM 81 CA ALA A 9 -17.968 -1.674 6.422 1.00 0.00 C ATOM 82 C ALA A 9 -17.153 -2.649 7.264 1.00 0.00 C ATOM 83 O ALA A 9 -16.460 -2.248 8.199 1.00 0.00 O ATOM 84 CB ALA A 9 -17.490 -1.693 4.978 1.00 0.00 C ATOM 0 HA ALA A 9 -19.010 -1.992 6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.553 -2.709 4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -18.118 -1.034 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.456 -1.350 4.932 1.00 0.00 H new ATOM 90 N ARG A 10 -17.241 -3.932 6.927 1.00 0.00 N ATOM 91 CA ARG A 10 -16.512 -4.965 7.654 1.00 0.00 C ATOM 92 C ARG A 10 -15.457 -5.615 6.764 1.00 0.00 C ATOM 93 O ARG A 10 -15.633 -5.720 5.549 1.00 0.00 O ATOM 94 CB ARG A 10 -17.479 -6.028 8.177 1.00 0.00 C ATOM 95 CG ARG A 10 -18.151 -5.649 9.487 1.00 0.00 C ATOM 96 CD ARG A 10 -17.342 -6.121 10.685 1.00 0.00 C ATOM 97 NE ARG A 10 -17.733 -7.461 11.115 1.00 0.00 N ATOM 98 CZ ARG A 10 -17.561 -7.915 12.352 1.00 0.00 C ATOM 99 NH1 ARG A 10 -17.009 -7.141 13.275 1.00 0.00 N ATOM 100 NH2 ARG A 10 -17.943 -9.147 12.666 1.00 0.00 N ATOM 0 H ARG A 10 -17.810 -4.281 6.155 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.009 -4.494 8.498 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.246 -6.211 7.425 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.937 -6.964 8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -18.275 -4.567 9.534 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -19.149 -6.086 9.525 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.282 -6.116 10.431 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.475 -5.422 11.511 1.00 0.00 H new ATOM 0 HE ARG A 10 -18.161 -8.082 10.429 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.715 -6.194 13.037 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.878 -7.492 14.224 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -18.369 -9.745 11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.811 -9.495 13.615 1.00 0.00 H new ATOM 114 N LEU A 11 -14.361 -6.050 7.375 1.00 0.00 N ATOM 115 CA LEU A 11 -13.277 -6.690 6.638 1.00 0.00 C ATOM 116 C LEU A 11 -13.642 -8.124 6.268 1.00 0.00 C ATOM 117 O LEU A 11 -13.873 -8.961 7.140 1.00 0.00 O ATOM 118 CB LEU A 11 -11.992 -6.676 7.469 1.00 0.00 C ATOM 119 CG LEU A 11 -10.724 -7.142 6.752 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.368 -6.186 5.624 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.569 -7.263 7.735 1.00 0.00 C ATOM 0 H LEU A 11 -14.199 -5.971 8.379 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.114 -6.128 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.828 -5.661 7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.143 -7.307 8.345 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.913 -8.126 6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.463 -6.533 5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.187 -6.149 4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.198 -5.190 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.675 -7.596 7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.379 -6.293 8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.824 -7.987 8.509 1.00 0.00 H new ATOM 133 N VAL A 12 -13.689 -8.400 4.969 1.00 0.00 N ATOM 134 CA VAL A 12 -14.023 -9.734 4.483 1.00 0.00 C ATOM 135 C VAL A 12 -12.765 -10.527 4.148 1.00 0.00 C ATOM 136 O VAL A 12 -12.667 -11.715 4.454 1.00 0.00 O ATOM 137 CB VAL A 12 -14.923 -9.668 3.235 1.00 0.00 C ATOM 138 CG1 VAL A 12 -15.076 -11.047 2.613 1.00 0.00 C ATOM 139 CG2 VAL A 12 -16.280 -9.079 3.588 1.00 0.00 C ATOM 0 H VAL A 12 -13.500 -7.718 4.234 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.564 -10.237 5.285 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.450 -9.016 2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.715 -10.980 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.096 -11.426 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.527 -11.725 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.903 -9.040 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.763 -9.703 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.148 -8.072 3.983 1.00 0.00 H new ATOM 149 N ALA A 13 -11.803 -9.861 3.516 1.00 0.00 N ATOM 150 CA ALA A 13 -10.549 -10.503 3.141 1.00 0.00 C ATOM 151 C ALA A 13 -9.355 -9.620 3.488 1.00 0.00 C ATOM 152 O ALA A 13 -8.836 -8.899 2.638 1.00 0.00 O ATOM 153 CB ALA A 13 -10.549 -10.834 1.656 1.00 0.00 C ATOM 0 H ALA A 13 -11.869 -8.878 3.253 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.460 -11.429 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.607 -11.313 1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.375 -11.510 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.665 -9.917 1.079 1.00 0.00 H new ATOM 159 N GLY A 14 -8.925 -9.682 4.745 1.00 0.00 N ATOM 160 CA GLY A 14 -7.795 -8.882 5.182 1.00 0.00 C ATOM 161 C GLY A 14 -6.617 -8.975 4.233 1.00 0.00 C ATOM 162 O GLY A 14 -6.654 -9.726 3.257 1.00 0.00 O ATOM 0 H GLY A 14 -9.338 -10.271 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.104 -7.841 5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.485 -9.209 6.174 1.00 0.00 H new ATOM 166 N LEU A 15 -5.569 -8.209 4.516 1.00 0.00 N ATOM 167 CA LEU A 15 -4.375 -8.206 3.679 1.00 0.00 C ATOM 168 C LEU A 15 -3.617 -9.524 3.807 1.00 0.00 C ATOM 169 O LEU A 15 -4.055 -10.437 4.506 1.00 0.00 O ATOM 170 CB LEU A 15 -3.462 -7.040 4.062 1.00 0.00 C ATOM 171 CG LEU A 15 -3.996 -5.641 3.756 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.373 -4.615 4.690 1.00 0.00 C ATOM 173 CD2 LEU A 15 -3.729 -5.274 2.303 1.00 0.00 C ATOM 0 H LEU A 15 -5.522 -7.582 5.319 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.689 -8.088 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.255 -7.102 5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.510 -7.165 3.545 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.074 -5.641 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.765 -3.625 4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.616 -4.868 5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.291 -4.616 4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.116 -4.275 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.656 -5.292 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.224 -5.992 1.649 1.00 0.00 H new ATOM 185 N GLU A 16 -2.477 -9.613 3.128 1.00 0.00 N ATOM 186 CA GLU A 16 -1.658 -10.819 3.168 1.00 0.00 C ATOM 187 C GLU A 16 -0.174 -10.467 3.215 1.00 0.00 C ATOM 188 O GLU A 16 0.206 -9.310 3.037 1.00 0.00 O ATOM 189 CB GLU A 16 -1.947 -11.698 1.949 1.00 0.00 C ATOM 190 CG GLU A 16 -3.398 -12.136 1.844 1.00 0.00 C ATOM 191 CD GLU A 16 -3.690 -12.884 0.558 1.00 0.00 C ATOM 192 OE1 GLU A 16 -3.884 -12.223 -0.483 1.00 0.00 O ATOM 193 OE2 GLU A 16 -3.723 -14.132 0.593 1.00 0.00 O ATOM 0 H GLU A 16 -2.100 -8.866 2.545 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.912 -11.371 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.675 -11.152 1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.311 -12.583 1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.644 -12.773 2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.043 -11.260 1.905 1.00 0.00 H new ATOM 200 N ASP A 17 0.659 -11.474 3.458 1.00 0.00 N ATOM 201 CA ASP A 17 2.101 -11.272 3.529 1.00 0.00 C ATOM 202 C ASP A 17 2.745 -11.468 2.160 1.00 0.00 C ATOM 203 O ASP A 17 2.332 -12.332 1.386 1.00 0.00 O ATOM 204 CB ASP A 17 2.723 -12.235 4.541 1.00 0.00 C ATOM 205 CG ASP A 17 2.439 -13.687 4.210 1.00 0.00 C ATOM 206 OD1 ASP A 17 1.435 -13.952 3.516 1.00 0.00 O ATOM 207 OD2 ASP A 17 3.221 -14.558 4.643 1.00 0.00 O ATOM 0 H ASP A 17 0.360 -12.437 3.609 1.00 0.00 H new ATOM 0 HA ASP A 17 2.284 -10.248 3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.801 -12.077 4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.338 -12.010 5.536 1.00 0.00 H new ATOM 212 N VAL A 18 3.759 -10.660 1.867 1.00 0.00 N ATOM 213 CA VAL A 18 4.460 -10.744 0.591 1.00 0.00 C ATOM 214 C VAL A 18 5.930 -10.370 0.747 1.00 0.00 C ATOM 215 O VAL A 18 6.287 -9.562 1.603 1.00 0.00 O ATOM 216 CB VAL A 18 3.817 -9.826 -0.464 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.550 -9.942 -1.792 1.00 0.00 C ATOM 218 CG2 VAL A 18 2.341 -10.157 -0.630 1.00 0.00 C ATOM 0 H VAL A 18 4.113 -9.940 2.496 1.00 0.00 H new ATOM 0 HA VAL A 18 4.385 -11.778 0.255 1.00 0.00 H new ATOM 0 HB VAL A 18 3.899 -8.795 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.081 -9.286 -2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.592 -9.651 -1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.503 -10.972 -2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.902 -9.498 -1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.234 -11.193 -0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.827 -10.017 0.321 1.00 0.00 H new ATOM 228 N GLN A 19 6.777 -10.964 -0.088 1.00 0.00 N ATOM 229 CA GLN A 19 8.209 -10.693 -0.042 1.00 0.00 C ATOM 230 C GLN A 19 8.814 -10.725 -1.442 1.00 0.00 C ATOM 231 O GLN A 19 8.665 -11.706 -2.172 1.00 0.00 O ATOM 232 CB GLN A 19 8.914 -11.712 0.854 1.00 0.00 C ATOM 233 CG GLN A 19 9.224 -13.026 0.155 1.00 0.00 C ATOM 234 CD GLN A 19 9.513 -14.151 1.130 1.00 0.00 C ATOM 235 OE1 GLN A 19 8.669 -14.508 1.952 1.00 0.00 O ATOM 236 NE2 GLN A 19 10.712 -14.716 1.042 1.00 0.00 N ATOM 0 H GLN A 19 6.497 -11.635 -0.803 1.00 0.00 H new ATOM 0 HA GLN A 19 8.351 -9.695 0.373 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.844 -11.278 1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.289 -11.912 1.724 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.381 -13.305 -0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.083 -12.890 -0.502 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.381 -14.388 0.345 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.964 -15.478 1.671 1.00 0.00 H new ATOM 245 N VAL A 20 9.497 -9.646 -1.812 1.00 0.00 N ATOM 246 CA VAL A 20 10.125 -9.551 -3.124 1.00 0.00 C ATOM 247 C VAL A 20 11.573 -9.088 -3.008 1.00 0.00 C ATOM 248 O VAL A 20 12.000 -8.611 -1.957 1.00 0.00 O ATOM 249 CB VAL A 20 9.359 -8.581 -4.044 1.00 0.00 C ATOM 250 CG1 VAL A 20 7.974 -9.125 -4.359 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.267 -7.203 -3.406 1.00 0.00 C ATOM 0 H VAL A 20 9.629 -8.825 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 20 10.100 -10.550 -3.560 1.00 0.00 H new ATOM 0 HB VAL A 20 9.908 -8.487 -4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.448 -8.426 -5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.067 -10.088 -4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.413 -9.251 -3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.723 -6.531 -4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.742 -7.277 -2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.271 -6.813 -3.237 1.00 0.00 H new ATOM 261 N TYR A 21 12.322 -9.232 -4.095 1.00 0.00 N ATOM 262 CA TYR A 21 13.724 -8.830 -4.115 1.00 0.00 C ATOM 263 C TYR A 21 13.862 -7.352 -4.467 1.00 0.00 C ATOM 264 O TYR A 21 12.914 -6.724 -4.939 1.00 0.00 O ATOM 265 CB TYR A 21 14.505 -9.680 -5.120 1.00 0.00 C ATOM 266 CG TYR A 21 14.767 -11.091 -4.645 1.00 0.00 C ATOM 267 CD1 TYR A 21 13.717 -11.969 -4.402 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.063 -11.547 -4.437 1.00 0.00 C ATOM 269 CE1 TYR A 21 13.951 -13.259 -3.967 1.00 0.00 C ATOM 270 CE2 TYR A 21 16.306 -12.835 -4.004 1.00 0.00 C ATOM 271 CZ TYR A 21 15.248 -13.688 -3.770 1.00 0.00 C ATOM 272 OH TYR A 21 15.486 -14.972 -3.338 1.00 0.00 O ATOM 0 H TYR A 21 11.983 -9.624 -4.973 1.00 0.00 H new ATOM 0 HA TYR A 21 14.135 -8.987 -3.118 1.00 0.00 H new ATOM 0 HB2 TYR A 21 13.952 -9.718 -6.058 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.457 -9.194 -5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.701 -11.637 -4.556 1.00 0.00 H new ATOM 0 HD2 TYR A 21 16.895 -10.882 -4.617 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.124 -13.928 -3.782 1.00 0.00 H new ATOM 0 HE2 TYR A 21 17.320 -13.173 -3.849 1.00 0.00 H new ATOM 0 HH TYR A 21 16.452 -15.114 -3.251 1.00 0.00 H new ATOM 282 N ASP A 22 15.049 -6.804 -4.233 1.00 0.00 N ATOM 283 CA ASP A 22 15.314 -5.400 -4.526 1.00 0.00 C ATOM 284 C ASP A 22 14.944 -5.066 -5.967 1.00 0.00 C ATOM 285 O ASP A 22 15.185 -5.856 -6.880 1.00 0.00 O ATOM 286 CB ASP A 22 16.787 -5.074 -4.276 1.00 0.00 C ATOM 287 CG ASP A 22 17.653 -5.337 -5.493 1.00 0.00 C ATOM 288 OD1 ASP A 22 17.574 -6.454 -6.045 1.00 0.00 O ATOM 289 OD2 ASP A 22 18.409 -4.427 -5.892 1.00 0.00 O ATOM 0 H ASP A 22 15.843 -7.310 -3.841 1.00 0.00 H new ATOM 0 HA ASP A 22 14.698 -4.794 -3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.880 -4.027 -3.987 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.151 -5.670 -3.439 1.00 0.00 H new ATOM 294 N GLY A 23 14.355 -3.891 -6.165 1.00 0.00 N ATOM 295 CA GLY A 23 13.959 -3.474 -7.498 1.00 0.00 C ATOM 296 C GLY A 23 12.633 -4.072 -7.923 1.00 0.00 C ATOM 297 O GLY A 23 11.898 -3.472 -8.706 1.00 0.00 O ATOM 0 H GLY A 23 14.145 -3.220 -5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.890 -2.387 -7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.731 -3.766 -8.211 1.00 0.00 H new ATOM 301 N GLU A 24 12.327 -5.257 -7.405 1.00 0.00 N ATOM 302 CA GLU A 24 11.081 -5.937 -7.739 1.00 0.00 C ATOM 303 C GLU A 24 9.877 -5.069 -7.386 1.00 0.00 C ATOM 304 O GLU A 24 10.026 -3.957 -6.879 1.00 0.00 O ATOM 305 CB GLU A 24 10.992 -7.276 -7.003 1.00 0.00 C ATOM 306 CG GLU A 24 12.153 -8.210 -7.296 1.00 0.00 C ATOM 307 CD GLU A 24 12.255 -8.571 -8.765 1.00 0.00 C ATOM 308 OE1 GLU A 24 11.199 -8.730 -9.412 1.00 0.00 O ATOM 309 OE2 GLU A 24 13.392 -8.694 -9.268 1.00 0.00 O ATOM 0 H GLU A 24 12.924 -5.766 -6.753 1.00 0.00 H new ATOM 0 HA GLU A 24 11.073 -6.120 -8.813 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.949 -7.089 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.060 -7.771 -7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.083 -7.739 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.038 -9.121 -6.709 1.00 0.00 H new ATOM 316 N ASP A 25 8.683 -5.585 -7.659 1.00 0.00 N ATOM 317 CA ASP A 25 7.452 -4.858 -7.371 1.00 0.00 C ATOM 318 C ASP A 25 6.563 -5.651 -6.418 1.00 0.00 C ATOM 319 O ASP A 25 6.383 -6.858 -6.580 1.00 0.00 O ATOM 320 CB ASP A 25 6.695 -4.561 -8.666 1.00 0.00 C ATOM 321 CG ASP A 25 7.602 -4.032 -9.759 1.00 0.00 C ATOM 322 OD1 ASP A 25 8.701 -3.539 -9.430 1.00 0.00 O ATOM 323 OD2 ASP A 25 7.214 -4.111 -10.943 1.00 0.00 O ATOM 0 H ASP A 25 8.542 -6.504 -8.079 1.00 0.00 H new ATOM 0 HA ASP A 25 7.719 -3.916 -6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.205 -5.470 -9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.910 -3.832 -8.465 1.00 0.00 H new ATOM 328 N ALA A 26 6.011 -4.965 -5.422 1.00 0.00 N ATOM 329 CA ALA A 26 5.141 -5.605 -4.444 1.00 0.00 C ATOM 330 C ALA A 26 3.672 -5.402 -4.799 1.00 0.00 C ATOM 331 O ALA A 26 3.310 -4.420 -5.449 1.00 0.00 O ATOM 332 CB ALA A 26 5.428 -5.067 -3.050 1.00 0.00 C ATOM 0 H ALA A 26 6.151 -3.966 -5.272 1.00 0.00 H new ATOM 0 HA ALA A 26 5.346 -6.675 -4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.771 -5.554 -2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.467 -5.270 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.253 -3.991 -3.032 1.00 0.00 H new ATOM 338 N VAL A 27 2.829 -6.336 -4.370 1.00 0.00 N ATOM 339 CA VAL A 27 1.399 -6.258 -4.643 1.00 0.00 C ATOM 340 C VAL A 27 0.583 -6.580 -3.396 1.00 0.00 C ATOM 341 O VAL A 27 0.891 -7.523 -2.666 1.00 0.00 O ATOM 342 CB VAL A 27 0.990 -7.221 -5.774 1.00 0.00 C ATOM 343 CG1 VAL A 27 -0.488 -7.067 -6.099 1.00 0.00 C ATOM 344 CG2 VAL A 27 1.844 -6.984 -7.010 1.00 0.00 C ATOM 0 H VAL A 27 3.112 -7.155 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 27 1.192 -5.234 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 27 1.158 -8.243 -5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.758 -7.755 -6.900 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.081 -7.292 -5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.686 -6.044 -6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.541 -7.673 -7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.711 -5.958 -7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.893 -7.151 -6.765 1.00 0.00 H new ATOM 354 N PHE A 28 -0.460 -5.792 -3.158 1.00 0.00 N ATOM 355 CA PHE A 28 -1.321 -5.992 -1.998 1.00 0.00 C ATOM 356 C PHE A 28 -2.771 -5.656 -2.333 1.00 0.00 C ATOM 357 O PHE A 28 -3.049 -4.666 -3.010 1.00 0.00 O ATOM 358 CB PHE A 28 -0.843 -5.132 -0.827 1.00 0.00 C ATOM 359 CG PHE A 28 0.536 -5.486 -0.346 1.00 0.00 C ATOM 360 CD1 PHE A 28 0.730 -6.551 0.518 1.00 0.00 C ATOM 361 CD2 PHE A 28 1.637 -4.753 -0.759 1.00 0.00 C ATOM 362 CE1 PHE A 28 1.998 -6.879 0.962 1.00 0.00 C ATOM 363 CE2 PHE A 28 2.906 -5.077 -0.319 1.00 0.00 C ATOM 364 CZ PHE A 28 3.087 -6.141 0.543 1.00 0.00 C ATOM 0 H PHE A 28 -0.730 -5.009 -3.753 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.267 -7.043 -1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.857 -4.084 -1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.545 -5.236 0.000 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.118 -7.132 0.849 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.502 -3.919 -1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.136 -7.712 1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.756 -4.498 -0.649 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.078 -6.395 0.888 1.00 0.00 H new ATOM 374 N SER A 29 -3.691 -6.487 -1.853 1.00 0.00 N ATOM 375 CA SER A 29 -5.112 -6.281 -2.105 1.00 0.00 C ATOM 376 C SER A 29 -5.955 -6.878 -0.982 1.00 0.00 C ATOM 377 O SER A 29 -5.490 -7.736 -0.230 1.00 0.00 O ATOM 378 CB SER A 29 -5.511 -6.904 -3.444 1.00 0.00 C ATOM 379 OG SER A 29 -5.310 -8.307 -3.433 1.00 0.00 O ATOM 0 H SER A 29 -3.478 -7.309 -1.288 1.00 0.00 H new ATOM 0 HA SER A 29 -5.296 -5.207 -2.143 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.558 -6.685 -3.653 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.925 -6.456 -4.246 1.00 0.00 H new ATOM 0 HG SER A 29 -5.574 -8.682 -4.299 1.00 0.00 H new ATOM 385 N LEU A 30 -7.196 -6.418 -0.873 1.00 0.00 N ATOM 386 CA LEU A 30 -8.105 -6.905 0.158 1.00 0.00 C ATOM 387 C LEU A 30 -9.549 -6.882 -0.334 1.00 0.00 C ATOM 388 O LEU A 30 -9.836 -6.387 -1.424 1.00 0.00 O ATOM 389 CB LEU A 30 -7.972 -6.059 1.425 1.00 0.00 C ATOM 390 CG LEU A 30 -8.374 -4.589 1.296 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.850 -4.410 1.614 1.00 0.00 C ATOM 392 CD2 LEU A 30 -7.521 -3.721 2.208 1.00 0.00 C ATOM 0 H LEU A 30 -7.596 -5.708 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.835 -7.936 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.580 -6.514 2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.936 -6.103 1.760 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.204 -4.275 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.118 -3.358 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.446 -5.002 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.045 -4.742 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.821 -2.678 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.658 -4.036 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.471 -3.826 1.933 1.00 0.00 H new ATOM 404 N ASP A 31 -10.454 -7.418 0.478 1.00 0.00 N ATOM 405 CA ASP A 31 -11.869 -7.455 0.127 1.00 0.00 C ATOM 406 C ASP A 31 -12.728 -6.940 1.278 1.00 0.00 C ATOM 407 O ASP A 31 -12.450 -7.215 2.446 1.00 0.00 O ATOM 408 CB ASP A 31 -12.288 -8.880 -0.240 1.00 0.00 C ATOM 409 CG ASP A 31 -11.377 -9.500 -1.282 1.00 0.00 C ATOM 410 OD1 ASP A 31 -10.148 -9.513 -1.063 1.00 0.00 O ATOM 411 OD2 ASP A 31 -11.894 -9.973 -2.316 1.00 0.00 O ATOM 0 H ASP A 31 -10.233 -7.833 1.383 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.021 -6.806 -0.735 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.284 -9.499 0.657 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.311 -8.870 -0.616 1.00 0.00 H new ATOM 416 N LEU A 32 -13.772 -6.191 0.941 1.00 0.00 N ATOM 417 CA LEU A 32 -14.671 -5.636 1.946 1.00 0.00 C ATOM 418 C LEU A 32 -16.101 -6.117 1.723 1.00 0.00 C ATOM 419 O LEU A 32 -16.487 -6.450 0.602 1.00 0.00 O ATOM 420 CB LEU A 32 -14.625 -4.107 1.912 1.00 0.00 C ATOM 421 CG LEU A 32 -13.237 -3.475 2.027 1.00 0.00 C ATOM 422 CD1 LEU A 32 -13.326 -1.963 1.886 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.588 -3.851 3.351 1.00 0.00 C ATOM 0 H LEU A 32 -14.017 -5.954 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.339 -5.982 2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.080 -3.770 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.244 -3.727 2.724 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.616 -3.859 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.329 -1.530 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.749 -1.713 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.964 -1.561 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.601 -3.393 3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.208 -3.495 4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.489 -4.935 3.413 1.00 0.00 H new ATOM 435 N SER A 33 -16.884 -6.150 2.796 1.00 0.00 N ATOM 436 CA SER A 33 -18.271 -6.593 2.718 1.00 0.00 C ATOM 437 C SER A 33 -19.108 -5.613 1.901 1.00 0.00 C ATOM 438 O SER A 33 -20.102 -5.994 1.281 1.00 0.00 O ATOM 439 CB SER A 33 -18.862 -6.739 4.122 1.00 0.00 C ATOM 440 OG SER A 33 -20.105 -7.418 4.083 1.00 0.00 O ATOM 0 H SER A 33 -16.581 -5.875 3.730 1.00 0.00 H new ATOM 0 HA SER A 33 -18.290 -7.563 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.165 -7.285 4.758 1.00 0.00 H new ATOM 0 HB3 SER A 33 -18.996 -5.754 4.568 1.00 0.00 H new ATOM 0 HG SER A 33 -20.462 -7.500 4.992 1.00 0.00 H new ATOM 446 N THR A 34 -18.700 -4.348 1.905 1.00 0.00 N ATOM 447 CA THR A 34 -19.411 -3.313 1.167 1.00 0.00 C ATOM 448 C THR A 34 -18.450 -2.249 0.647 1.00 0.00 C ATOM 449 O THR A 34 -17.278 -2.223 1.022 1.00 0.00 O ATOM 450 CB THR A 34 -20.484 -2.636 2.040 1.00 0.00 C ATOM 451 OG1 THR A 34 -21.377 -1.876 1.218 1.00 0.00 O ATOM 452 CG2 THR A 34 -19.843 -1.727 3.078 1.00 0.00 C ATOM 0 H THR A 34 -17.880 -4.016 2.412 1.00 0.00 H new ATOM 0 HA THR A 34 -19.896 -3.804 0.324 1.00 0.00 H new ATOM 0 HB THR A 34 -21.043 -3.415 2.559 1.00 0.00 H new ATOM 0 HG1 THR A 34 -22.057 -1.450 1.781 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.621 -1.260 3.683 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.187 -2.314 3.721 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.261 -0.954 2.575 1.00 0.00 H new ATOM 460 N ILE A 35 -18.955 -1.374 -0.216 1.00 0.00 N ATOM 461 CA ILE A 35 -18.140 -0.307 -0.784 1.00 0.00 C ATOM 462 C ILE A 35 -17.820 0.756 0.260 1.00 0.00 C ATOM 463 O ILE A 35 -18.655 1.085 1.103 1.00 0.00 O ATOM 464 CB ILE A 35 -18.843 0.361 -1.981 1.00 0.00 C ATOM 465 CG1 ILE A 35 -19.116 -0.668 -3.080 1.00 0.00 C ATOM 466 CG2 ILE A 35 -18.000 1.507 -2.519 1.00 0.00 C ATOM 467 CD1 ILE A 35 -20.476 -1.322 -2.972 1.00 0.00 C ATOM 0 H ILE A 35 -19.923 -1.383 -0.537 1.00 0.00 H new ATOM 0 HA ILE A 35 -17.213 -0.767 -1.127 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.797 0.765 -1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -19.032 -0.181 -4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -18.347 -1.440 -3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.510 1.969 -3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.852 2.250 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.032 1.125 -2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -20.600 -2.039 -3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -20.556 -1.838 -2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -21.253 -0.560 -3.039 1.00 0.00 H new ATOM 479 N ILE A 36 -16.605 1.291 0.199 1.00 0.00 N ATOM 480 CA ILE A 36 -16.175 2.320 1.138 1.00 0.00 C ATOM 481 C ILE A 36 -14.798 2.861 0.768 1.00 0.00 C ATOM 482 O ILE A 36 -14.065 2.244 -0.005 1.00 0.00 O ATOM 483 CB ILE A 36 -16.132 1.782 2.580 1.00 0.00 C ATOM 484 CG1 ILE A 36 -16.005 2.938 3.575 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.978 0.804 2.747 1.00 0.00 C ATOM 486 CD1 ILE A 36 -16.195 2.519 5.016 1.00 0.00 C ATOM 0 H ILE A 36 -15.901 1.029 -0.491 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.907 3.126 1.081 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.063 1.253 2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.022 3.395 3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.741 3.702 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.961 0.433 3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.108 -0.032 2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.038 1.310 2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.091 3.389 5.665 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.189 2.089 5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.442 1.777 5.281 1.00 0.00 H new ATOM 498 N GLN A 37 -14.454 4.017 1.325 1.00 0.00 N ATOM 499 CA GLN A 37 -13.164 4.642 1.054 1.00 0.00 C ATOM 500 C GLN A 37 -12.157 4.307 2.149 1.00 0.00 C ATOM 501 O GLN A 37 -12.496 4.278 3.331 1.00 0.00 O ATOM 502 CB GLN A 37 -13.323 6.158 0.937 1.00 0.00 C ATOM 503 CG GLN A 37 -13.339 6.874 2.278 1.00 0.00 C ATOM 504 CD GLN A 37 -14.711 6.874 2.923 1.00 0.00 C ATOM 505 OE1 GLN A 37 -15.371 5.838 3.003 1.00 0.00 O ATOM 506 NE2 GLN A 37 -15.147 8.039 3.387 1.00 0.00 N ATOM 0 H GLN A 37 -15.050 4.540 1.967 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.789 4.249 0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.507 6.555 0.333 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.249 6.378 0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.626 6.396 2.950 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.006 7.903 2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.566 8.873 3.299 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.063 8.100 3.831 1.00 0.00 H new ATOM 515 N GLY A 38 -10.915 4.054 1.747 1.00 0.00 N ATOM 516 CA GLY A 38 -9.877 3.725 2.706 1.00 0.00 C ATOM 517 C GLY A 38 -8.568 4.430 2.410 1.00 0.00 C ATOM 518 O GLY A 38 -8.480 5.224 1.473 1.00 0.00 O ATOM 0 H GLY A 38 -10.609 4.071 0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.213 3.995 3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.714 2.647 2.704 1.00 0.00 H new ATOM 522 N THR A 39 -7.547 4.141 3.211 1.00 0.00 N ATOM 523 CA THR A 39 -6.238 4.755 3.032 1.00 0.00 C ATOM 524 C THR A 39 -5.122 3.733 3.215 1.00 0.00 C ATOM 525 O THR A 39 -5.294 2.728 3.904 1.00 0.00 O ATOM 526 CB THR A 39 -6.022 5.916 4.021 1.00 0.00 C ATOM 527 OG1 THR A 39 -7.080 6.872 3.894 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.684 6.596 3.773 1.00 0.00 C ATOM 0 H THR A 39 -7.602 3.485 3.990 1.00 0.00 H new ATOM 0 HA THR A 39 -6.208 5.144 2.014 1.00 0.00 H new ATOM 0 HB THR A 39 -6.022 5.508 5.032 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.936 7.606 4.527 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.554 7.413 4.483 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.879 5.872 3.900 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.659 6.991 2.757 1.00 0.00 H new ATOM 536 N TRP A 40 -3.978 3.996 2.593 1.00 0.00 N ATOM 537 CA TRP A 40 -2.833 3.098 2.688 1.00 0.00 C ATOM 538 C TRP A 40 -1.741 3.699 3.567 1.00 0.00 C ATOM 539 O TRP A 40 -1.529 4.911 3.568 1.00 0.00 O ATOM 540 CB TRP A 40 -2.276 2.799 1.295 1.00 0.00 C ATOM 541 CG TRP A 40 -3.150 1.886 0.489 1.00 0.00 C ATOM 542 CD1 TRP A 40 -3.953 2.234 -0.559 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.311 0.474 0.669 1.00 0.00 C ATOM 544 NE1 TRP A 40 -4.603 1.123 -1.042 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.225 0.031 -0.307 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.769 -0.459 1.557 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.609 -1.303 -0.416 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -3.151 -1.782 1.448 1.00 0.00 C ATOM 549 CH2 TRP A 40 -4.063 -2.195 0.467 1.00 0.00 C ATOM 0 H TRP A 40 -3.819 4.823 2.018 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.170 2.167 3.144 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.146 3.737 0.755 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.288 2.350 1.395 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.062 3.235 -0.951 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.261 1.114 -1.822 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.064 -0.151 2.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.313 -1.622 -1.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.740 -2.511 2.131 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.340 -3.237 0.407 1.00 0.00 H new ATOM 560 N PHE A 41 -1.051 2.843 4.313 1.00 0.00 N ATOM 561 CA PHE A 41 0.019 3.290 5.197 1.00 0.00 C ATOM 562 C PHE A 41 1.343 2.629 4.827 1.00 0.00 C ATOM 563 O PHE A 41 1.373 1.646 4.084 1.00 0.00 O ATOM 564 CB PHE A 41 -0.330 2.978 6.654 1.00 0.00 C ATOM 565 CG PHE A 41 -1.215 4.010 7.292 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.391 4.409 6.678 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.871 4.581 8.507 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.207 5.358 7.263 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.683 5.531 9.097 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.853 5.919 8.475 1.00 0.00 C ATOM 0 H PHE A 41 -1.214 1.836 4.323 1.00 0.00 H new ATOM 0 HA PHE A 41 0.126 4.368 5.079 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.824 2.008 6.701 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.591 2.895 7.230 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.673 3.973 5.731 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.042 4.280 8.999 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.121 5.661 6.773 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.403 5.969 10.043 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.490 6.660 8.935 1.00 0.00 H new ATOM 580 N LEU A 42 2.437 3.174 5.349 1.00 0.00 N ATOM 581 CA LEU A 42 3.765 2.637 5.074 1.00 0.00 C ATOM 582 C LEU A 42 4.677 2.791 6.287 1.00 0.00 C ATOM 583 O LEU A 42 5.064 3.902 6.647 1.00 0.00 O ATOM 584 CB LEU A 42 4.382 3.345 3.865 1.00 0.00 C ATOM 585 CG LEU A 42 5.349 2.513 3.023 1.00 0.00 C ATOM 586 CD1 LEU A 42 4.631 1.325 2.402 1.00 0.00 C ATOM 587 CD2 LEU A 42 5.992 3.373 1.944 1.00 0.00 C ATOM 0 H LEU A 42 2.430 3.987 5.965 1.00 0.00 H new ATOM 0 HA LEU A 42 3.662 1.575 4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.574 3.690 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.909 4.231 4.218 1.00 0.00 H new ATOM 0 HG LEU A 42 6.136 2.135 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.336 0.745 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.219 0.696 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.823 1.682 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.677 2.764 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.218 3.781 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.542 4.191 2.410 1.00 0.00 H new ATOM 599 N ASN A 43 5.016 1.668 6.911 1.00 0.00 N ATOM 600 CA ASN A 43 5.884 1.678 8.084 1.00 0.00 C ATOM 601 C ASN A 43 5.241 2.452 9.230 1.00 0.00 C ATOM 602 O ASN A 43 5.898 3.244 9.904 1.00 0.00 O ATOM 603 CB ASN A 43 7.240 2.295 7.735 1.00 0.00 C ATOM 604 CG ASN A 43 8.069 1.398 6.835 1.00 0.00 C ATOM 605 OD1 ASN A 43 8.486 0.312 7.236 1.00 0.00 O ATOM 606 ND2 ASN A 43 8.311 1.851 5.610 1.00 0.00 N ATOM 0 H ASN A 43 4.704 0.740 6.625 1.00 0.00 H new ATOM 0 HA ASN A 43 6.033 0.647 8.404 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.083 3.255 7.242 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.793 2.494 8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.863 1.292 4.959 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.945 2.758 5.320 1.00 0.00 H new ATOM 613 N GLY A 44 3.950 2.216 9.446 1.00 0.00 N ATOM 614 CA GLY A 44 3.239 2.898 10.512 1.00 0.00 C ATOM 615 C GLY A 44 2.718 4.256 10.085 1.00 0.00 C ATOM 616 O GLY A 44 1.706 4.729 10.601 1.00 0.00 O ATOM 0 H GLY A 44 3.384 1.565 8.902 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.404 2.279 10.842 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.903 3.020 11.368 1.00 0.00 H new ATOM 620 N GLU A 45 3.412 4.884 9.141 1.00 0.00 N ATOM 621 CA GLU A 45 3.013 6.197 8.647 1.00 0.00 C ATOM 622 C GLU A 45 1.920 6.072 7.590 1.00 0.00 C ATOM 623 O GLU A 45 1.535 4.967 7.209 1.00 0.00 O ATOM 624 CB GLU A 45 4.220 6.935 8.065 1.00 0.00 C ATOM 625 CG GLU A 45 5.184 7.453 9.119 1.00 0.00 C ATOM 626 CD GLU A 45 5.928 6.338 9.827 1.00 0.00 C ATOM 627 OE1 GLU A 45 5.394 5.810 10.825 1.00 0.00 O ATOM 628 OE2 GLU A 45 7.043 5.992 9.384 1.00 0.00 O ATOM 0 H GLU A 45 4.252 4.505 8.703 1.00 0.00 H new ATOM 0 HA GLU A 45 2.617 6.768 9.487 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.756 6.264 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.867 7.773 7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.903 8.124 8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.632 8.040 9.853 1.00 0.00 H new ATOM 635 N GLU A 46 1.426 7.214 7.121 1.00 0.00 N ATOM 636 CA GLU A 46 0.376 7.232 6.108 1.00 0.00 C ATOM 637 C GLU A 46 0.922 7.713 4.767 1.00 0.00 C ATOM 638 O GLU A 46 1.949 8.391 4.709 1.00 0.00 O ATOM 639 CB GLU A 46 -0.778 8.132 6.554 1.00 0.00 C ATOM 640 CG GLU A 46 -1.970 8.105 5.612 1.00 0.00 C ATOM 641 CD GLU A 46 -3.149 8.899 6.141 1.00 0.00 C ATOM 642 OE1 GLU A 46 -3.040 10.139 6.225 1.00 0.00 O ATOM 643 OE2 GLU A 46 -4.181 8.278 6.470 1.00 0.00 O ATOM 0 H GLU A 46 1.735 8.137 7.425 1.00 0.00 H new ATOM 0 HA GLU A 46 0.007 6.214 5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.104 7.825 7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.416 9.157 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.672 8.506 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.276 7.072 5.449 1.00 0.00 H new ATOM 650 N LEU A 47 0.230 7.357 3.691 1.00 0.00 N ATOM 651 CA LEU A 47 0.644 7.751 2.349 1.00 0.00 C ATOM 652 C LEU A 47 -0.351 8.733 1.738 1.00 0.00 C ATOM 653 O LEU A 47 -1.427 8.967 2.289 1.00 0.00 O ATOM 654 CB LEU A 47 0.778 6.519 1.452 1.00 0.00 C ATOM 655 CG LEU A 47 1.947 5.585 1.766 1.00 0.00 C ATOM 656 CD1 LEU A 47 1.822 4.290 0.978 1.00 0.00 C ATOM 657 CD2 LEU A 47 3.272 6.269 1.464 1.00 0.00 C ATOM 0 H LEU A 47 -0.621 6.796 3.721 1.00 0.00 H new ATOM 0 HA LEU A 47 1.613 8.244 2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.147 5.945 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.874 6.855 0.419 1.00 0.00 H new ATOM 0 HG LEU A 47 1.919 5.344 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.663 3.638 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.890 3.791 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.824 4.512 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.093 5.590 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.309 6.540 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.364 7.168 2.073 1.00 0.00 H new ATOM 910 N ARG A 64 0.535 2.156 -7.095 1.00 0.00 N ATOM 911 CA ARG A 64 -0.707 2.140 -7.858 1.00 0.00 C ATOM 912 C ARG A 64 -1.890 1.787 -6.962 1.00 0.00 C ATOM 913 O ARG A 64 -2.048 0.637 -6.549 1.00 0.00 O ATOM 914 CB ARG A 64 -0.610 1.138 -9.010 1.00 0.00 C ATOM 915 CG ARG A 64 -1.611 1.394 -10.125 1.00 0.00 C ATOM 916 CD ARG A 64 -1.641 0.245 -11.121 1.00 0.00 C ATOM 917 NE ARG A 64 -2.755 0.362 -12.058 1.00 0.00 N ATOM 918 CZ ARG A 64 -3.282 -0.671 -12.706 1.00 0.00 C ATOM 919 NH1 ARG A 64 -2.799 -1.892 -12.518 1.00 0.00 N ATOM 920 NH2 ARG A 64 -4.294 -0.485 -13.543 1.00 0.00 N ATOM 0 HA ARG A 64 -0.866 3.138 -8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.398 1.169 -9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.763 0.132 -8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.604 1.534 -9.699 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.353 2.318 -10.642 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.703 0.221 -11.675 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.718 -0.700 -10.583 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.150 1.288 -12.224 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.021 -2.039 -11.875 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.205 -2.684 -13.017 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.669 0.452 -13.690 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.698 -1.279 -14.040 1.00 0.00 H new ATOM 934 N ILE A 65 -2.719 2.782 -6.665 1.00 0.00 N ATOM 935 CA ILE A 65 -3.887 2.576 -5.818 1.00 0.00 C ATOM 936 C ILE A 65 -5.151 2.417 -6.656 1.00 0.00 C ATOM 937 O ILE A 65 -5.542 3.326 -7.387 1.00 0.00 O ATOM 938 CB ILE A 65 -4.082 3.744 -4.833 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.883 3.848 -3.888 1.00 0.00 C ATOM 940 CG2 ILE A 65 -5.371 3.564 -4.045 1.00 0.00 C ATOM 941 CD1 ILE A 65 -2.836 5.145 -3.111 1.00 0.00 C ATOM 0 H ILE A 65 -2.603 3.739 -6.999 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.710 1.661 -5.253 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.154 4.671 -5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.911 3.014 -3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.965 3.747 -4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.494 4.398 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.217 3.535 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.327 2.631 -3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.960 5.149 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.777 5.983 -3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.737 5.239 -2.505 1.00 0.00 H new ATOM 953 N GLU A 66 -5.787 1.255 -6.542 1.00 0.00 N ATOM 954 CA GLU A 66 -7.009 0.977 -7.288 1.00 0.00 C ATOM 955 C GLU A 66 -8.139 0.565 -6.349 1.00 0.00 C ATOM 956 O GLU A 66 -7.987 -0.354 -5.545 1.00 0.00 O ATOM 957 CB GLU A 66 -6.762 -0.125 -8.321 1.00 0.00 C ATOM 958 CG GLU A 66 -5.627 0.184 -9.282 1.00 0.00 C ATOM 959 CD GLU A 66 -6.074 1.022 -10.463 1.00 0.00 C ATOM 960 OE1 GLU A 66 -6.676 2.093 -10.238 1.00 0.00 O ATOM 961 OE2 GLU A 66 -5.822 0.607 -11.614 1.00 0.00 O ATOM 0 H GLU A 66 -5.477 0.492 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.305 1.890 -7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.542 -1.057 -7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.676 -0.287 -8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.836 0.710 -8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.199 -0.750 -9.646 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.691 -2.457 -2.847 1.00 0.00 N ATOM 1015 CA LEU A 70 -15.040 -3.245 -1.806 1.00 0.00 C ATOM 1016 C LEU A 70 -13.829 -3.988 -2.361 1.00 0.00 C ATOM 1017 O LEU A 70 -13.543 -5.114 -1.958 1.00 0.00 O ATOM 1018 CB LEU A 70 -16.030 -4.241 -1.199 1.00 0.00 C ATOM 1019 CG LEU A 70 -17.113 -4.769 -2.141 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.454 -6.213 -1.806 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.356 -3.895 -2.068 1.00 0.00 C ATOM 0 HA LEU A 70 -14.698 -2.562 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.468 -5.091 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.517 -3.766 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.729 -4.735 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.226 -6.572 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.562 -6.831 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.818 -6.272 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -19.116 -4.286 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.742 -3.896 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -18.102 -2.876 -2.358 1.00 0.00 H new ATOM 1033 N GLN A 71 -13.122 -3.347 -3.286 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.940 -3.947 -3.894 1.00 0.00 C ATOM 1035 C GLN A 71 -10.789 -2.948 -3.948 1.00 0.00 C ATOM 1036 O GLN A 71 -10.739 -2.090 -4.830 1.00 0.00 O ATOM 1037 CB GLN A 71 -12.265 -4.446 -5.303 1.00 0.00 C ATOM 1038 CG GLN A 71 -11.409 -5.623 -5.744 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.874 -6.225 -7.055 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -12.914 -6.883 -7.115 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -11.106 -6.003 -8.115 1.00 0.00 N ATOM 0 H GLN A 71 -13.347 -2.414 -3.631 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.634 -4.792 -3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.315 -4.736 -5.344 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.133 -3.626 -6.009 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.374 -5.297 -5.846 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.427 -6.390 -4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.253 -5.452 -8.020 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.369 -6.383 -9.024 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.865 -3.065 -3.000 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.714 -2.172 -2.940 1.00 0.00 C ATOM 1052 C HIS A 72 -7.433 -2.912 -3.313 1.00 0.00 C ATOM 1053 O HIS A 72 -7.364 -4.138 -3.224 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.580 -1.571 -1.540 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.802 -0.835 -1.085 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -9.772 0.469 -0.636 1.00 0.00 N ATOM 1057 CD2 HIS A 72 -11.096 -1.226 -1.014 1.00 0.00 C ATOM 1058 CE1 HIS A 72 -10.994 0.847 -0.306 1.00 0.00 C ATOM 1059 NE2 HIS A 72 -11.816 -0.163 -0.526 1.00 0.00 N ATOM 0 H HIS A 72 -9.891 -3.770 -2.263 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.871 -1.368 -3.659 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.361 -2.369 -0.830 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.729 -0.890 -1.526 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.489 -2.193 -1.290 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.273 1.817 0.078 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -12.822 -0.155 -0.360 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.421 -2.159 -3.732 1.00 0.00 N ATOM 1068 CA ARG A 73 -5.143 -2.743 -4.121 1.00 0.00 C ATOM 1069 C ARG A 73 -4.050 -1.679 -4.168 1.00 0.00 C ATOM 1070 O ARG A 73 -4.285 -0.552 -4.606 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.264 -3.426 -5.484 1.00 0.00 C ATOM 1072 CG ARG A 73 -4.024 -4.207 -5.887 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.266 -5.027 -7.144 1.00 0.00 C ATOM 1074 NE ARG A 73 -5.312 -6.029 -6.952 1.00 0.00 N ATOM 1075 CZ ARG A 73 -6.604 -5.787 -7.138 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -7.009 -4.583 -7.519 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -7.496 -6.750 -6.942 1.00 0.00 N ATOM 0 H ARG A 73 -6.462 -1.143 -3.811 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.869 -3.487 -3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.119 -4.102 -5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.469 -2.671 -6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.197 -3.517 -6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.728 -4.867 -5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.546 -4.363 -7.962 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.340 -5.521 -7.438 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.034 -6.966 -6.659 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.327 -3.840 -7.670 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.002 -4.400 -7.661 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.189 -7.677 -6.648 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.488 -6.563 -7.085 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.857 -2.044 -3.713 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.727 -1.121 -3.703 1.00 0.00 C ATOM 1093 C LEU A 74 -0.453 -1.814 -4.175 1.00 0.00 C ATOM 1094 O LEU A 74 0.146 -2.601 -3.441 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.521 -0.553 -2.298 1.00 0.00 C ATOM 1096 CG LEU A 74 -0.207 0.194 -2.062 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -0.220 1.535 -2.780 1.00 0.00 C ATOM 1098 CD2 LEU A 74 0.037 0.387 -0.572 1.00 0.00 C ATOM 0 H LEU A 74 -2.647 -2.972 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.950 -0.305 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.346 0.125 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.583 -1.374 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 74 0.608 -0.405 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.722 2.053 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.348 1.373 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.044 2.141 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.976 0.920 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.781 0.965 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.091 -0.586 -0.083 1.00 0.00 H new ATOM 1110 N ILE A 75 -0.044 -1.516 -5.403 1.00 0.00 N ATOM 1111 CA ILE A 75 1.160 -2.108 -5.972 1.00 0.00 C ATOM 1112 C ILE A 75 2.344 -1.151 -5.870 1.00 0.00 C ATOM 1113 O ILE A 75 2.254 0.010 -6.272 1.00 0.00 O ATOM 1114 CB ILE A 75 0.954 -2.496 -7.448 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.207 -3.484 -7.581 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.231 -3.092 -8.022 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.549 -2.815 -7.780 1.00 0.00 C ATOM 0 H ILE A 75 -0.529 -0.868 -6.023 1.00 0.00 H new ATOM 0 HA ILE A 75 1.372 -3.008 -5.395 1.00 0.00 H new ATOM 0 HB ILE A 75 0.709 -1.597 -8.014 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.013 -4.149 -8.423 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.249 -4.106 -6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.070 -3.361 -9.066 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.036 -2.360 -7.956 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.504 -3.982 -7.456 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.325 -3.575 -7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.765 -2.171 -6.927 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.525 -2.216 -8.690 1.00 0.00 H new ATOM 1129 N LEU A 76 3.453 -1.647 -5.333 1.00 0.00 N ATOM 1130 CA LEU A 76 4.657 -0.837 -5.180 1.00 0.00 C ATOM 1131 C LEU A 76 5.769 -1.335 -6.097 1.00 0.00 C ATOM 1132 O LEU A 76 6.479 -2.286 -5.770 1.00 0.00 O ATOM 1133 CB LEU A 76 5.131 -0.862 -3.726 1.00 0.00 C ATOM 1134 CG LEU A 76 4.070 -0.552 -2.668 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.384 -1.277 -1.369 1.00 0.00 C ATOM 1136 CD2 LEU A 76 3.972 0.949 -2.435 1.00 0.00 C ATOM 0 H LEU A 76 3.544 -2.606 -4.996 1.00 0.00 H new ATOM 0 HA LEU A 76 4.413 0.188 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.546 -1.848 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.944 -0.144 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 76 3.106 -0.906 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.619 -1.045 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.402 -2.352 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.357 -0.955 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.213 1.151 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.935 1.328 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.698 1.445 -3.366 1.00 0.00 H new ATOM 1148 N HIS A 77 5.916 -0.685 -7.247 1.00 0.00 N ATOM 1149 CA HIS A 77 6.944 -1.060 -8.212 1.00 0.00 C ATOM 1150 C HIS A 77 8.286 -0.433 -7.847 1.00 0.00 C ATOM 1151 O HIS A 77 8.359 0.748 -7.509 1.00 0.00 O ATOM 1152 CB HIS A 77 6.533 -0.629 -9.620 1.00 0.00 C ATOM 1153 CG HIS A 77 5.055 -0.681 -9.855 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.432 -1.723 -10.510 1.00 0.00 N ATOM 1155 CD2 HIS A 77 4.073 0.188 -9.516 1.00 0.00 C ATOM 1156 CE1 HIS A 77 3.133 -1.492 -10.566 1.00 0.00 C ATOM 1157 NE2 HIS A 77 2.889 -0.339 -9.969 1.00 0.00 N ATOM 0 H HIS A 77 5.336 0.104 -7.534 1.00 0.00 H new ATOM 0 HA HIS A 77 7.051 -2.144 -8.189 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.885 0.387 -9.797 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.031 -1.270 -10.347 1.00 0.00 H new ATOM 0 HD1 HIS A 77 4.902 -2.544 -10.892 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.198 1.122 -8.988 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.396 -2.136 -11.022 1.00 0.00 H new ATOM 1166 N ALA A 78 9.345 -1.232 -7.916 1.00 0.00 N ATOM 1167 CA ALA A 78 10.685 -0.755 -7.594 1.00 0.00 C ATOM 1168 C ALA A 78 10.866 -0.603 -6.088 1.00 0.00 C ATOM 1169 O ALA A 78 11.230 0.468 -5.601 1.00 0.00 O ATOM 1170 CB ALA A 78 10.957 0.566 -8.297 1.00 0.00 C ATOM 0 H ALA A 78 9.302 -2.213 -8.192 1.00 0.00 H new ATOM 0 HA ALA A 78 11.403 -1.496 -7.946 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.961 0.911 -8.048 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.878 0.427 -9.375 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.228 1.308 -7.972 1.00 0.00 H new ATOM 1176 N VAL A 79 10.608 -1.680 -5.353 1.00 0.00 N ATOM 1177 CA VAL A 79 10.743 -1.666 -3.901 1.00 0.00 C ATOM 1178 C VAL A 79 12.209 -1.717 -3.485 1.00 0.00 C ATOM 1179 O VAL A 79 12.946 -2.623 -3.876 1.00 0.00 O ATOM 1180 CB VAL A 79 9.997 -2.849 -3.257 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.498 -2.723 -3.484 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.518 -4.169 -3.803 1.00 0.00 C ATOM 0 H VAL A 79 10.304 -2.574 -5.739 1.00 0.00 H new ATOM 0 HA VAL A 79 10.301 -0.733 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 79 10.180 -2.829 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.988 -3.568 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 79 8.139 -1.795 -3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.291 -2.716 -4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.979 -4.994 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.367 -4.201 -4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.582 -4.260 -3.582 1.00 0.00 H new ATOM 1192 N LYS A 80 12.627 -0.738 -2.690 1.00 0.00 N ATOM 1193 CA LYS A 80 14.005 -0.671 -2.218 1.00 0.00 C ATOM 1194 C LYS A 80 14.225 -1.619 -1.043 1.00 0.00 C ATOM 1195 O LYS A 80 13.336 -1.809 -0.211 1.00 0.00 O ATOM 1196 CB LYS A 80 14.355 0.760 -1.805 1.00 0.00 C ATOM 1197 CG LYS A 80 14.362 1.743 -2.963 1.00 0.00 C ATOM 1198 CD LYS A 80 12.957 2.212 -3.305 1.00 0.00 C ATOM 1199 CE LYS A 80 12.974 3.571 -3.988 1.00 0.00 C ATOM 1200 NZ LYS A 80 13.272 4.670 -3.028 1.00 0.00 N ATOM 0 H LYS A 80 12.031 0.020 -2.359 1.00 0.00 H new ATOM 0 HA LYS A 80 14.658 -0.977 -3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.639 1.099 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.337 0.763 -1.331 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.982 2.603 -2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.813 1.273 -3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.477 1.482 -3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.359 2.268 -2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.721 3.569 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.008 3.753 -4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.029 5.584 -3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.711 4.536 -2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.284 4.658 -2.790 1.00 0.00 H new ATOM 1214 N HIS A 81 15.414 -2.209 -0.979 1.00 0.00 N ATOM 1215 CA HIS A 81 15.750 -3.136 0.096 1.00 0.00 C ATOM 1216 C HIS A 81 15.878 -2.400 1.427 1.00 0.00 C ATOM 1217 O HIS A 81 15.470 -2.910 2.470 1.00 0.00 O ATOM 1218 CB HIS A 81 17.054 -3.868 -0.222 1.00 0.00 C ATOM 1219 CG HIS A 81 17.641 -4.586 0.954 1.00 0.00 C ATOM 1220 ND1 HIS A 81 17.046 -5.684 1.539 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.777 -4.357 1.653 1.00 0.00 C ATOM 1222 CE1 HIS A 81 17.790 -6.098 2.549 1.00 0.00 C ATOM 1223 NE2 HIS A 81 18.847 -5.311 2.639 1.00 0.00 N ATOM 0 H HIS A 81 16.161 -2.062 -1.658 1.00 0.00 H new ATOM 0 HA HIS A 81 14.944 -3.865 0.179 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.872 -4.586 -1.022 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.782 -3.149 -0.599 1.00 0.00 H new ATOM 0 HD1 HIS A 81 16.169 -6.110 1.239 1.00 0.00 H new ATOM 0 HD2 HIS A 81 19.495 -3.571 1.470 1.00 0.00 H new ATOM 0 HE1 HIS A 81 17.571 -6.938 3.192 1.00 0.00 H new ATOM 1232 N GLN A 82 16.448 -1.200 1.381 1.00 0.00 N ATOM 1233 CA GLN A 82 16.631 -0.396 2.584 1.00 0.00 C ATOM 1234 C GLN A 82 15.379 -0.426 3.455 1.00 0.00 C ATOM 1235 O GLN A 82 15.465 -0.403 4.683 1.00 0.00 O ATOM 1236 CB GLN A 82 16.972 1.048 2.211 1.00 0.00 C ATOM 1237 CG GLN A 82 15.809 1.807 1.592 1.00 0.00 C ATOM 1238 CD GLN A 82 16.104 3.284 1.418 1.00 0.00 C ATOM 1239 OE1 GLN A 82 16.675 3.700 0.410 1.00 0.00 O ATOM 1240 NE2 GLN A 82 15.714 4.086 2.402 1.00 0.00 N ATOM 0 H GLN A 82 16.791 -0.764 0.525 1.00 0.00 H new ATOM 0 HA GLN A 82 17.458 -0.822 3.153 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.306 1.576 3.104 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.808 1.046 1.511 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.571 1.371 0.622 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.926 1.688 2.221 1.00 0.00 H new ATOM 0 HE21 GLN A 82 15.244 3.698 3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.885 5.090 2.340 1.00 0.00 H new ATOM 1249 N ASP A 83 14.218 -0.478 2.811 1.00 0.00 N ATOM 1250 CA ASP A 83 12.948 -0.512 3.527 1.00 0.00 C ATOM 1251 C ASP A 83 12.554 -1.946 3.867 1.00 0.00 C ATOM 1252 O ASP A 83 11.371 -2.264 3.984 1.00 0.00 O ATOM 1253 CB ASP A 83 11.850 0.147 2.692 1.00 0.00 C ATOM 1254 CG ASP A 83 10.742 0.729 3.548 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.031 1.150 4.688 1.00 0.00 O ATOM 1256 OD2 ASP A 83 9.586 0.763 3.079 1.00 0.00 O ATOM 0 H ASP A 83 14.130 -0.498 1.795 1.00 0.00 H new ATOM 0 HA ASP A 83 13.069 0.043 4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.287 0.937 2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.428 -0.588 2.007 1.00 0.00 H new ATOM 1261 N SER A 84 13.554 -2.808 4.023 1.00 0.00 N ATOM 1262 CA SER A 84 13.312 -4.210 4.344 1.00 0.00 C ATOM 1263 C SER A 84 12.409 -4.339 5.567 1.00 0.00 C ATOM 1264 O SER A 84 12.832 -4.087 6.694 1.00 0.00 O ATOM 1265 CB SER A 84 14.636 -4.934 4.595 1.00 0.00 C ATOM 1266 OG SER A 84 15.310 -4.390 5.717 1.00 0.00 O ATOM 0 H SER A 84 14.539 -2.560 3.932 1.00 0.00 H new ATOM 0 HA SER A 84 12.810 -4.671 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.448 -5.995 4.759 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.270 -4.855 3.712 1.00 0.00 H new ATOM 0 HG SER A 84 14.671 -4.253 6.447 1.00 0.00 H new ATOM 1272 N GLY A 85 11.161 -4.733 5.334 1.00 0.00 N ATOM 1273 CA GLY A 85 10.216 -4.889 6.425 1.00 0.00 C ATOM 1274 C GLY A 85 9.220 -3.749 6.497 1.00 0.00 C ATOM 1275 O GLY A 85 8.887 -3.274 7.582 1.00 0.00 O ATOM 0 H GLY A 85 10.787 -4.947 4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.679 -5.830 6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.761 -4.952 7.367 1.00 0.00 H new ATOM 1279 N ALA A 86 8.745 -3.306 5.337 1.00 0.00 N ATOM 1280 CA ALA A 86 7.781 -2.215 5.273 1.00 0.00 C ATOM 1281 C ALA A 86 6.433 -2.638 5.847 1.00 0.00 C ATOM 1282 O ALA A 86 5.944 -3.733 5.566 1.00 0.00 O ATOM 1283 CB ALA A 86 7.619 -1.737 3.838 1.00 0.00 C ATOM 0 H ALA A 86 9.012 -3.686 4.429 1.00 0.00 H new ATOM 0 HA ALA A 86 8.161 -1.392 5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.896 -0.922 3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.579 -1.385 3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.265 -2.561 3.218 1.00 0.00 H new ATOM 1289 N LEU A 87 5.838 -1.765 6.652 1.00 0.00 N ATOM 1290 CA LEU A 87 4.546 -2.049 7.267 1.00 0.00 C ATOM 1291 C LEU A 87 3.409 -1.454 6.443 1.00 0.00 C ATOM 1292 O LEU A 87 3.059 -0.284 6.600 1.00 0.00 O ATOM 1293 CB LEU A 87 4.503 -1.493 8.691 1.00 0.00 C ATOM 1294 CG LEU A 87 3.618 -2.251 9.681 1.00 0.00 C ATOM 1295 CD1 LEU A 87 2.260 -2.548 9.064 1.00 0.00 C ATOM 1296 CD2 LEU A 87 4.296 -3.538 10.126 1.00 0.00 C ATOM 0 H LEU A 87 6.229 -0.855 6.894 1.00 0.00 H new ATOM 0 HA LEU A 87 4.418 -3.131 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.520 -1.475 9.083 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.160 -0.459 8.646 1.00 0.00 H new ATOM 0 HG LEU A 87 3.466 -1.622 10.558 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.644 -3.088 9.783 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.769 -1.612 8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.392 -3.157 8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.652 -4.064 10.830 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.479 -4.172 9.258 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.244 -3.302 10.609 1.00 0.00 H new ATOM 1308 N VAL A 88 2.832 -2.269 5.564 1.00 0.00 N ATOM 1309 CA VAL A 88 1.732 -1.825 4.717 1.00 0.00 C ATOM 1310 C VAL A 88 0.384 -2.155 5.349 1.00 0.00 C ATOM 1311 O VAL A 88 0.048 -3.322 5.543 1.00 0.00 O ATOM 1312 CB VAL A 88 1.804 -2.469 3.320 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.752 -1.868 2.400 1.00 0.00 C ATOM 1314 CG2 VAL A 88 3.196 -2.307 2.730 1.00 0.00 C ATOM 0 H VAL A 88 3.109 -3.240 5.421 1.00 0.00 H new ATOM 0 HA VAL A 88 1.827 -0.744 4.615 1.00 0.00 H new ATOM 0 HB VAL A 88 1.599 -3.535 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.818 -2.335 1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.239 -2.042 2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.922 -0.796 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.229 -2.768 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.433 -1.247 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.925 -2.790 3.380 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.384 -1.118 5.667 1.00 0.00 N ATOM 1325 CA GLY A 89 -1.687 -1.319 6.274 1.00 0.00 C ATOM 1326 C GLY A 89 -2.768 -0.485 5.615 1.00 0.00 C ATOM 1327 O GLY A 89 -2.492 0.586 5.073 1.00 0.00 O ATOM 0 H GLY A 89 -0.128 -0.142 5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.956 -2.373 6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.634 -1.068 7.333 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.002 -0.976 5.659 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.128 -0.270 5.059 1.00 0.00 C ATOM 1333 C PHE A 90 -6.092 0.227 6.133 1.00 0.00 C ATOM 1334 O PHE A 90 -6.838 -0.554 6.722 1.00 0.00 O ATOM 1335 CB PHE A 90 -5.866 -1.183 4.078 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.235 -0.686 3.711 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -8.343 -1.052 4.458 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -7.414 0.147 2.618 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -9.604 -0.597 4.122 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -8.672 0.606 2.278 1.00 0.00 C ATOM 1341 CZ PHE A 90 -9.769 0.233 3.031 1.00 0.00 C ATOM 0 H PHE A 90 -4.248 -1.860 6.104 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.738 0.592 4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.270 -1.286 3.171 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.954 -2.177 4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.220 -1.700 5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.560 0.441 2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -10.460 -0.890 4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -8.798 1.256 1.425 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.753 0.590 2.767 1.00 0.00 H new ATOM 1351 N SER A 91 -6.070 1.533 6.381 1.00 0.00 N ATOM 1352 CA SER A 91 -6.938 2.135 7.386 1.00 0.00 C ATOM 1353 C SER A 91 -8.197 2.709 6.743 1.00 0.00 C ATOM 1354 O SER A 91 -8.121 3.506 5.807 1.00 0.00 O ATOM 1355 CB SER A 91 -6.192 3.235 8.143 1.00 0.00 C ATOM 1356 OG SER A 91 -5.839 4.300 7.278 1.00 0.00 O ATOM 0 H SER A 91 -5.460 2.194 5.900 1.00 0.00 H new ATOM 0 HA SER A 91 -7.232 1.356 8.089 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.817 3.612 8.953 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.293 2.821 8.600 1.00 0.00 H new ATOM 0 HG SER A 91 -4.895 4.220 7.029 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.353 2.298 7.251 1.00 0.00 N ATOM 1363 CA CYS A 92 -10.630 2.770 6.727 1.00 0.00 C ATOM 1364 C CYS A 92 -11.687 2.812 7.826 1.00 0.00 C ATOM 1365 O CYS A 92 -11.591 2.121 8.840 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.100 1.869 5.584 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.196 0.528 6.105 1.00 0.00 S ATOM 0 H CYS A 92 -9.433 1.639 8.025 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.487 3.782 6.347 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -11.617 2.479 4.843 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.227 1.440 5.091 1.00 0.00 H new ATOM 0 HG CYS A 92 -12.541 -0.178 5.069 1.00 0.00 H new ATOM 1373 N PRO A 93 -12.719 3.644 7.622 1.00 0.00 N ATOM 1374 CA PRO A 93 -13.814 3.798 8.585 1.00 0.00 C ATOM 1375 C PRO A 93 -14.700 2.558 8.659 1.00 0.00 C ATOM 1376 O PRO A 93 -15.786 2.525 8.083 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.605 4.988 8.037 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.309 4.999 6.577 1.00 0.00 C ATOM 1379 CD PRO A 93 -12.898 4.498 6.436 1.00 0.00 C ATOM 0 HA PRO A 93 -13.445 3.945 9.600 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.673 4.873 8.224 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.297 5.920 8.511 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.006 4.361 6.033 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.409 6.004 6.166 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -12.762 3.936 5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.180 5.318 6.419 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.227 1.540 9.372 1.00 0.00 N ATOM 1388 CA GLY A 94 -14.990 0.313 9.507 1.00 0.00 C ATOM 1389 C GLY A 94 -14.105 -0.917 9.560 1.00 0.00 C ATOM 1390 O GLY A 94 -14.549 -1.994 9.958 1.00 0.00 O ATOM 0 H GLY A 94 -13.330 1.543 9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.594 0.362 10.413 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.681 0.224 8.668 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.848 -0.757 9.157 1.00 0.00 N ATOM 1395 CA VAL A 95 -11.898 -1.863 9.160 1.00 0.00 C ATOM 1396 C VAL A 95 -10.498 -1.384 9.528 1.00 0.00 C ATOM 1397 O VAL A 95 -10.100 -0.274 9.177 1.00 0.00 O ATOM 1398 CB VAL A 95 -11.846 -2.562 7.789 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -10.704 -3.565 7.743 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.174 -3.239 7.485 1.00 0.00 C ATOM 0 H VAL A 95 -12.464 0.128 8.824 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.244 -2.575 9.909 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.665 -1.808 7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -10.684 -4.049 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.759 -3.049 7.912 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.850 -4.318 8.518 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.119 -3.728 6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.388 -3.982 8.253 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -13.968 -2.493 7.471 1.00 0.00 H new ATOM 1410 N GLN A 96 -9.756 -2.230 10.236 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.400 -1.892 10.651 1.00 0.00 C ATOM 1412 C GLN A 96 -7.505 -3.127 10.643 1.00 0.00 C ATOM 1413 O GLN A 96 -7.638 -4.008 11.493 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.412 -1.265 12.047 1.00 0.00 C ATOM 1415 CG GLN A 96 -9.337 -0.065 12.167 1.00 0.00 C ATOM 1416 CD GLN A 96 -9.207 0.641 13.502 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -9.134 0.002 14.551 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -9.176 1.969 13.469 1.00 0.00 N ATOM 0 H GLN A 96 -10.071 -3.153 10.534 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.999 -1.170 9.940 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.714 -2.020 12.773 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.399 -0.960 12.308 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.118 0.640 11.365 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.368 -0.391 12.032 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.239 2.459 12.576 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.089 2.499 14.336 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.593 -3.184 9.679 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.675 -4.311 9.560 1.00 0.00 C ATOM 1429 C ASP A 97 -4.410 -3.904 8.811 1.00 0.00 C ATOM 1430 O ASP A 97 -4.348 -2.830 8.214 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.356 -5.477 8.842 1.00 0.00 C ATOM 1432 CG ASP A 97 -5.792 -6.822 9.259 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -4.735 -7.213 8.723 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -6.410 -7.483 10.120 1.00 0.00 O ATOM 0 H ASP A 97 -6.469 -2.463 8.968 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.394 -4.628 10.565 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.426 -5.454 9.051 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.239 -5.355 7.765 1.00 0.00 H new ATOM 1439 N SER A 98 -3.402 -4.770 8.848 1.00 0.00 N ATOM 1440 CA SER A 98 -2.136 -4.499 8.177 1.00 0.00 C ATOM 1441 C SER A 98 -1.413 -5.799 7.837 1.00 0.00 C ATOM 1442 O SER A 98 -1.863 -6.886 8.199 1.00 0.00 O ATOM 1443 CB SER A 98 -1.245 -3.622 9.058 1.00 0.00 C ATOM 1444 OG SER A 98 -1.900 -2.412 9.400 1.00 0.00 O ATOM 0 H SER A 98 -3.438 -5.665 9.336 1.00 0.00 H new ATOM 0 HA SER A 98 -2.351 -3.969 7.249 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.979 -4.164 9.965 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.315 -3.401 8.534 1.00 0.00 H new ATOM 0 HG SER A 98 -1.311 -1.869 9.965 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.288 -5.677 7.140 1.00 0.00 N ATOM 1451 CA ALA A 99 0.500 -6.841 6.753 1.00 0.00 C ATOM 1452 C ALA A 99 1.994 -6.550 6.853 1.00 0.00 C ATOM 1453 O ALA A 99 2.398 -5.455 7.242 1.00 0.00 O ATOM 1454 CB ALA A 99 0.139 -7.277 5.340 1.00 0.00 C ATOM 0 H ALA A 99 0.098 -4.785 6.832 1.00 0.00 H new ATOM 0 HA ALA A 99 0.267 -7.652 7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.735 -8.147 5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.919 -7.534 5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.343 -6.463 4.645 1.00 0.00 H new ATOM 1460 N ALA A 100 2.809 -7.539 6.499 1.00 0.00 N ATOM 1461 CA ALA A 100 4.258 -7.388 6.548 1.00 0.00 C ATOM 1462 C ALA A 100 4.873 -7.538 5.160 1.00 0.00 C ATOM 1463 O ALA A 100 4.628 -8.525 4.465 1.00 0.00 O ATOM 1464 CB ALA A 100 4.862 -8.402 7.507 1.00 0.00 C ATOM 0 H ALA A 100 2.490 -8.452 6.176 1.00 0.00 H new ATOM 0 HA ALA A 100 4.482 -6.384 6.909 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.945 -8.278 7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.454 -8.246 8.506 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.621 -9.410 7.170 1.00 0.00 H new ATOM 1470 N LEU A 101 5.671 -6.554 4.762 1.00 0.00 N ATOM 1471 CA LEU A 101 6.321 -6.577 3.456 1.00 0.00 C ATOM 1472 C LEU A 101 7.832 -6.726 3.603 1.00 0.00 C ATOM 1473 O LEU A 101 8.514 -5.816 4.074 1.00 0.00 O ATOM 1474 CB LEU A 101 5.996 -5.299 2.681 1.00 0.00 C ATOM 1475 CG LEU A 101 6.877 -5.009 1.465 1.00 0.00 C ATOM 1476 CD1 LEU A 101 6.451 -5.864 0.282 1.00 0.00 C ATOM 1477 CD2 LEU A 101 6.821 -3.531 1.106 1.00 0.00 C ATOM 0 H LEU A 101 5.884 -5.730 5.324 1.00 0.00 H new ATOM 0 HA LEU A 101 5.942 -7.436 2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.959 -5.353 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.068 -4.454 3.366 1.00 0.00 H new ATOM 0 HG LEU A 101 7.907 -5.262 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.089 -5.644 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.544 -6.918 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.414 -5.643 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.454 -3.343 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.793 -3.252 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.176 -2.938 1.949 1.00 0.00 H new ATOM 1489 N THR A 102 8.350 -7.880 3.193 1.00 0.00 N ATOM 1490 CA THR A 102 9.779 -8.149 3.277 1.00 0.00 C ATOM 1491 C THR A 102 10.467 -7.892 1.941 1.00 0.00 C ATOM 1492 O THR A 102 9.913 -8.187 0.881 1.00 0.00 O ATOM 1493 CB THR A 102 10.054 -9.601 3.712 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.409 -9.868 4.962 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.548 -9.854 3.841 1.00 0.00 C ATOM 0 H THR A 102 7.800 -8.643 2.799 1.00 0.00 H new ATOM 0 HA THR A 102 10.184 -7.470 4.028 1.00 0.00 H new ATOM 0 HB THR A 102 9.654 -10.268 2.948 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.587 -10.793 5.231 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.717 -10.886 4.149 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.031 -9.679 2.880 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.968 -9.179 4.587 1.00 0.00 H new ATOM 1503 N ILE A 103 11.675 -7.343 1.998 1.00 0.00 N ATOM 1504 CA ILE A 103 12.438 -7.049 0.792 1.00 0.00 C ATOM 1505 C ILE A 103 13.867 -7.570 0.904 1.00 0.00 C ATOM 1506 O ILE A 103 14.667 -7.052 1.681 1.00 0.00 O ATOM 1507 CB ILE A 103 12.477 -5.536 0.505 1.00 0.00 C ATOM 1508 CG1 ILE A 103 11.057 -4.972 0.429 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.231 -5.261 -0.787 1.00 0.00 C ATOM 1510 CD1 ILE A 103 10.985 -3.480 0.669 1.00 0.00 C ATOM 0 H ILE A 103 12.147 -7.093 2.867 1.00 0.00 H new ATOM 0 HA ILE A 103 11.933 -7.554 -0.031 1.00 0.00 H new ATOM 0 HB ILE A 103 13.002 -5.040 1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.639 -5.194 -0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.433 -5.480 1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.250 -4.188 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.252 -5.632 -0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.732 -5.766 -1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 103 9.948 -3.150 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.373 -3.252 1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.582 -2.962 -0.082 1.00 0.00 H new ATOM 1522 N GLN A 104 14.178 -8.598 0.120 1.00 0.00 N ATOM 1523 CA GLN A 104 15.511 -9.189 0.131 1.00 0.00 C ATOM 1524 C GLN A 104 16.391 -8.567 -0.948 1.00 0.00 C ATOM 1525 O GLN A 104 15.947 -8.350 -2.075 1.00 0.00 O ATOM 1526 CB GLN A 104 15.423 -10.702 -0.076 1.00 0.00 C ATOM 1527 CG GLN A 104 14.631 -11.419 1.006 1.00 0.00 C ATOM 1528 CD GLN A 104 15.293 -11.333 2.368 1.00 0.00 C ATOM 1529 OE1 GLN A 104 16.316 -10.667 2.533 1.00 0.00 O ATOM 1530 NE2 GLN A 104 14.711 -12.007 3.353 1.00 0.00 N ATOM 0 H GLN A 104 13.526 -9.038 -0.530 1.00 0.00 H new ATOM 0 HA GLN A 104 15.962 -8.988 1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 104 14.963 -10.902 -1.044 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.431 -11.115 -0.111 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.631 -10.989 1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.512 -12.467 0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 104 13.864 -12.546 3.171 1.00 0.00 H new ATOM 0 HE22 GLN A 104 15.111 -11.986 4.291 1.00 0.00 H new ATOM 1539 N GLU A 105 17.641 -8.284 -0.595 1.00 0.00 N ATOM 1540 CA GLU A 105 18.583 -7.686 -1.535 1.00 0.00 C ATOM 1541 C GLU A 105 19.288 -8.760 -2.357 1.00 0.00 C ATOM 1542 O GLU A 105 19.730 -9.777 -1.821 1.00 0.00 O ATOM 1543 CB GLU A 105 19.616 -6.840 -0.787 1.00 0.00 C ATOM 1544 CG GLU A 105 20.431 -7.628 0.224 1.00 0.00 C ATOM 1545 CD GLU A 105 21.477 -6.779 0.920 1.00 0.00 C ATOM 1546 OE1 GLU A 105 22.251 -6.098 0.216 1.00 0.00 O ATOM 1547 OE2 GLU A 105 21.521 -6.795 2.168 1.00 0.00 O ATOM 0 H GLU A 105 18.025 -8.459 0.334 1.00 0.00 H new ATOM 0 HA GLU A 105 18.021 -7.045 -2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.292 -6.384 -1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 105 19.104 -6.027 -0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.761 -8.057 0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 105 20.921 -8.461 -0.280 1.00 0.00 H new