USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 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 K(o=0,f=-0.94) 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 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.16! C(o=-5.2!,f=-4!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 72 HIS : no HE2:sc= -1.17 X(o=-1.2,f=-0.84) USER MOD Single : A 77 HIS : no HE2:sc= -0.773 K(o=-0.77,f=-0.2) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.926 X(o=-0.93,f=-1.3) USER MOD Single : A 82 GLN : amide:sc=-0.00703 K(o=-0.007,f=-1) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -103:sc= 0.982 USER MOD Single : A 92 CYS SG : rot 180:sc= -3.15! USER MOD Single : A 96 GLN : amide:sc= -2.74! C(o=-2.7!,f=-2.8!) USER MOD Single : A 98 SER OG : rot -160:sc= -0.0358 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.0263 K(o=-0.026,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -17.525 -0.537 6.434 1.00 0.00 N ATOM 81 CA ALA A 9 -17.476 -1.816 5.736 1.00 0.00 C ATOM 82 C ALA A 9 -16.884 -2.904 6.625 1.00 0.00 C ATOM 83 O ALA A 9 -16.261 -2.614 7.646 1.00 0.00 O ATOM 84 CB ALA A 9 -16.672 -1.686 4.451 1.00 0.00 C ATOM 0 HA ALA A 9 -18.497 -2.104 5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.644 -2.649 3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.140 -0.945 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.656 -1.371 4.688 1.00 0.00 H new ATOM 90 N ARG A 10 -17.084 -4.157 6.230 1.00 0.00 N ATOM 91 CA ARG A 10 -16.571 -5.289 6.992 1.00 0.00 C ATOM 92 C ARG A 10 -15.449 -5.992 6.234 1.00 0.00 C ATOM 93 O ARG A 10 -15.481 -6.090 5.006 1.00 0.00 O ATOM 94 CB ARG A 10 -17.697 -6.281 7.294 1.00 0.00 C ATOM 95 CG ARG A 10 -18.525 -5.909 8.513 1.00 0.00 C ATOM 96 CD ARG A 10 -19.379 -4.678 8.252 1.00 0.00 C ATOM 97 NE ARG A 10 -20.639 -5.015 7.595 1.00 0.00 N ATOM 98 CZ ARG A 10 -21.637 -5.649 8.201 1.00 0.00 C ATOM 99 NH1 ARG A 10 -21.522 -6.013 9.470 1.00 0.00 N ATOM 100 NH2 ARG A 10 -22.752 -5.920 7.536 1.00 0.00 N ATOM 0 H ARG A 10 -17.597 -4.414 5.387 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.169 -4.909 7.931 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.353 -6.348 6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.267 -7.271 7.446 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -19.166 -6.746 8.788 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -17.864 -5.722 9.360 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -19.586 -4.174 9.196 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.823 -3.976 7.631 1.00 0.00 H new ATOM 0 HE ARG A 10 -20.759 -4.749 6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -20.666 -5.807 9.984 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -22.290 -6.500 9.933 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -22.844 -5.642 6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -23.518 -6.407 8.002 1.00 0.00 H new ATOM 114 N LEU A 11 -14.458 -6.481 6.972 1.00 0.00 N ATOM 115 CA LEU A 11 -13.326 -7.175 6.370 1.00 0.00 C ATOM 116 C LEU A 11 -13.697 -8.609 6.005 1.00 0.00 C ATOM 117 O LEU A 11 -13.929 -9.443 6.880 1.00 0.00 O ATOM 118 CB LEU A 11 -12.133 -7.172 7.327 1.00 0.00 C ATOM 119 CG LEU A 11 -10.790 -7.594 6.729 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.374 -6.635 5.624 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.722 -7.661 7.810 1.00 0.00 C ATOM 0 H LEU A 11 -14.416 -6.409 7.989 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.052 -6.647 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.025 -6.168 7.738 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.361 -7.835 8.161 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.902 -8.588 6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.416 -6.950 5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.128 -6.638 4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.279 -5.629 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.773 -7.963 7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.610 -6.680 8.273 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.016 -8.388 8.567 1.00 0.00 H new ATOM 133 N VAL A 12 -13.749 -8.889 4.707 1.00 0.00 N ATOM 134 CA VAL A 12 -14.089 -10.223 4.226 1.00 0.00 C ATOM 135 C VAL A 12 -12.836 -11.065 4.011 1.00 0.00 C ATOM 136 O VAL A 12 -12.783 -12.229 4.405 1.00 0.00 O ATOM 137 CB VAL A 12 -14.883 -10.159 2.908 1.00 0.00 C ATOM 138 CG1 VAL A 12 -15.372 -11.544 2.511 1.00 0.00 C ATOM 139 CG2 VAL A 12 -16.048 -9.189 3.035 1.00 0.00 C ATOM 0 H VAL A 12 -13.560 -8.210 3.970 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.709 -10.688 4.993 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.221 -9.795 2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.931 -11.479 1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.517 -12.207 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.019 -11.940 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.598 -9.156 2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.712 -9.521 3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -15.669 -8.194 3.269 1.00 0.00 H new ATOM 149 N ALA A 13 -11.829 -10.467 3.383 1.00 0.00 N ATOM 150 CA ALA A 13 -10.575 -11.161 3.117 1.00 0.00 C ATOM 151 C ALA A 13 -9.377 -10.280 3.456 1.00 0.00 C ATOM 152 O ALA A 13 -8.769 -9.677 2.573 1.00 0.00 O ATOM 153 CB ALA A 13 -10.513 -11.603 1.663 1.00 0.00 C ATOM 0 H ALA A 13 -11.857 -9.504 3.049 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.536 -12.044 3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.571 -12.120 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.343 -12.277 1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.580 -10.730 1.014 1.00 0.00 H new ATOM 159 N GLY A 14 -9.044 -10.210 4.741 1.00 0.00 N ATOM 160 CA GLY A 14 -7.921 -9.398 5.173 1.00 0.00 C ATOM 161 C GLY A 14 -6.738 -9.497 4.230 1.00 0.00 C ATOM 162 O GLY A 14 -6.648 -10.428 3.429 1.00 0.00 O ATOM 0 H GLY A 14 -9.531 -10.701 5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.236 -8.357 5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.613 -9.710 6.171 1.00 0.00 H new ATOM 166 N LEU A 15 -5.829 -8.533 4.322 1.00 0.00 N ATOM 167 CA LEU A 15 -4.646 -8.513 3.468 1.00 0.00 C ATOM 168 C LEU A 15 -3.832 -9.792 3.636 1.00 0.00 C ATOM 169 O LEU A 15 -4.180 -10.660 4.437 1.00 0.00 O ATOM 170 CB LEU A 15 -3.778 -7.297 3.795 1.00 0.00 C ATOM 171 CG LEU A 15 -4.389 -5.931 3.477 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.869 -4.877 4.441 1.00 0.00 C ATOM 173 CD2 LEU A 15 -4.091 -5.535 2.039 1.00 0.00 C ATOM 0 H LEU A 15 -5.888 -7.755 4.979 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.977 -8.448 2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.534 -7.325 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.839 -7.389 3.249 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.470 -6.001 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.314 -3.912 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.135 -5.154 5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.785 -4.808 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.533 -4.561 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.012 -5.483 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.514 -6.277 1.362 1.00 0.00 H new ATOM 185 N GLU A 16 -2.746 -9.901 2.877 1.00 0.00 N ATOM 186 CA GLU A 16 -1.882 -11.074 2.944 1.00 0.00 C ATOM 187 C GLU A 16 -0.412 -10.667 2.955 1.00 0.00 C ATOM 188 O GLU A 16 -0.046 -9.608 2.444 1.00 0.00 O ATOM 189 CB GLU A 16 -2.157 -12.004 1.760 1.00 0.00 C ATOM 190 CG GLU A 16 -3.585 -12.520 1.710 1.00 0.00 C ATOM 191 CD GLU A 16 -3.834 -13.645 2.696 1.00 0.00 C ATOM 192 OE1 GLU A 16 -3.263 -13.597 3.806 1.00 0.00 O ATOM 193 OE2 GLU A 16 -4.599 -14.572 2.358 1.00 0.00 O ATOM 0 H GLU A 16 -2.444 -9.192 2.209 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.101 -11.603 3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.939 -11.473 0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.475 -12.853 1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.271 -11.700 1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.806 -12.870 0.702 1.00 0.00 H new ATOM 200 N ASP A 17 0.426 -11.515 3.541 1.00 0.00 N ATOM 201 CA ASP A 17 1.857 -11.245 3.618 1.00 0.00 C ATOM 202 C ASP A 17 2.507 -11.355 2.242 1.00 0.00 C ATOM 203 O ASP A 17 2.180 -12.247 1.460 1.00 0.00 O ATOM 204 CB ASP A 17 2.529 -12.214 4.592 1.00 0.00 C ATOM 205 CG ASP A 17 2.367 -13.662 4.172 1.00 0.00 C ATOM 206 OD1 ASP A 17 1.318 -14.260 4.493 1.00 0.00 O ATOM 207 OD2 ASP A 17 3.288 -14.197 3.520 1.00 0.00 O ATOM 0 H ASP A 17 0.139 -12.395 3.970 1.00 0.00 H new ATOM 0 HA ASP A 17 1.990 -10.226 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.590 -11.976 4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.105 -12.078 5.587 1.00 0.00 H new ATOM 212 N VAL A 18 3.427 -10.441 1.953 1.00 0.00 N ATOM 213 CA VAL A 18 4.123 -10.435 0.672 1.00 0.00 C ATOM 214 C VAL A 18 5.591 -10.064 0.845 1.00 0.00 C ATOM 215 O VAL A 18 5.950 -9.323 1.760 1.00 0.00 O ATOM 216 CB VAL A 18 3.469 -9.452 -0.317 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.160 -9.517 -1.671 1.00 0.00 C ATOM 218 CG2 VAL A 18 1.982 -9.743 -0.453 1.00 0.00 C ATOM 0 H VAL A 18 3.708 -9.695 2.589 1.00 0.00 H new ATOM 0 HA VAL A 18 4.053 -11.445 0.269 1.00 0.00 H new ATOM 0 HB VAL A 18 3.583 -8.441 0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.684 -8.816 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.212 -9.255 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.080 -10.527 -2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.536 -9.039 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.842 -10.760 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.501 -9.639 0.519 1.00 0.00 H new ATOM 228 N GLN A 19 6.436 -10.583 -0.040 1.00 0.00 N ATOM 229 CA GLN A 19 7.866 -10.306 0.016 1.00 0.00 C ATOM 230 C GLN A 19 8.479 -10.323 -1.381 1.00 0.00 C ATOM 231 O GLN A 19 8.216 -11.227 -2.175 1.00 0.00 O ATOM 232 CB GLN A 19 8.571 -11.330 0.907 1.00 0.00 C ATOM 233 CG GLN A 19 8.923 -12.623 0.188 1.00 0.00 C ATOM 234 CD GLN A 19 9.603 -13.628 1.096 1.00 0.00 C ATOM 235 OE1 GLN A 19 9.949 -13.318 2.236 1.00 0.00 O ATOM 236 NE2 GLN A 19 9.799 -14.842 0.594 1.00 0.00 N ATOM 0 H GLN A 19 6.155 -11.197 -0.804 1.00 0.00 H new ATOM 0 HA GLN A 19 8.001 -9.311 0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.483 -10.886 1.305 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.931 -11.560 1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.015 -13.065 -0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.577 -12.399 -0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.496 -15.056 -0.356 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.252 -15.560 1.159 1.00 0.00 H new ATOM 245 N VAL A 20 9.297 -9.317 -1.675 1.00 0.00 N ATOM 246 CA VAL A 20 9.947 -9.217 -2.976 1.00 0.00 C ATOM 247 C VAL A 20 11.351 -8.636 -2.845 1.00 0.00 C ATOM 248 O VAL A 20 11.662 -7.952 -1.870 1.00 0.00 O ATOM 249 CB VAL A 20 9.131 -8.343 -3.946 1.00 0.00 C ATOM 250 CG1 VAL A 20 7.729 -8.907 -4.124 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.077 -6.905 -3.451 1.00 0.00 C ATOM 0 H VAL A 20 9.525 -8.560 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 20 10.011 -10.229 -3.377 1.00 0.00 H new ATOM 0 HB VAL A 20 9.626 -8.351 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.168 -8.276 -4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.792 -9.918 -4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.222 -8.932 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.496 -6.302 -4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.607 -6.876 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.089 -6.506 -3.381 1.00 0.00 H new ATOM 261 N TYR A 21 12.194 -8.914 -3.833 1.00 0.00 N ATOM 262 CA TYR A 21 13.566 -8.420 -3.828 1.00 0.00 C ATOM 263 C TYR A 21 13.611 -6.930 -4.151 1.00 0.00 C ATOM 264 O TYR A 21 12.682 -6.385 -4.747 1.00 0.00 O ATOM 265 CB TYR A 21 14.414 -9.198 -4.836 1.00 0.00 C ATOM 266 CG TYR A 21 14.712 -10.618 -4.409 1.00 0.00 C ATOM 267 CD1 TYR A 21 13.684 -11.507 -4.121 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.020 -11.070 -4.293 1.00 0.00 C ATOM 269 CE1 TYR A 21 13.951 -12.805 -3.730 1.00 0.00 C ATOM 270 CE2 TYR A 21 16.297 -12.366 -3.904 1.00 0.00 C ATOM 271 CZ TYR A 21 15.259 -13.230 -3.624 1.00 0.00 C ATOM 272 OH TYR A 21 15.530 -14.522 -3.235 1.00 0.00 O ATOM 0 H TYR A 21 11.952 -9.479 -4.647 1.00 0.00 H new ATOM 0 HA TYR A 21 13.974 -8.568 -2.828 1.00 0.00 H new ATOM 0 HB2 TYR A 21 13.897 -9.217 -5.795 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.354 -8.669 -4.992 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.659 -11.178 -4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 21 16.835 -10.396 -4.511 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.140 -13.483 -3.509 1.00 0.00 H new ATOM 0 HE2 TYR A 21 17.320 -12.701 -3.820 1.00 0.00 H new ATOM 0 HH TYR A 21 16.500 -14.660 -3.212 1.00 0.00 H new ATOM 282 N ASP A 22 14.698 -6.278 -3.755 1.00 0.00 N ATOM 283 CA ASP A 22 14.867 -4.851 -4.003 1.00 0.00 C ATOM 284 C ASP A 22 14.644 -4.526 -5.477 1.00 0.00 C ATOM 285 O ASP A 22 15.018 -5.300 -6.357 1.00 0.00 O ATOM 286 CB ASP A 22 16.263 -4.398 -3.574 1.00 0.00 C ATOM 287 CG ASP A 22 16.595 -3.002 -4.064 1.00 0.00 C ATOM 288 OD1 ASP A 22 16.690 -2.813 -5.294 1.00 0.00 O ATOM 289 OD2 ASP A 22 16.762 -2.100 -3.216 1.00 0.00 O ATOM 0 H ASP A 22 15.476 -6.715 -3.261 1.00 0.00 H new ATOM 0 HA ASP A 22 14.123 -4.315 -3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.332 -4.424 -2.487 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.003 -5.100 -3.957 1.00 0.00 H new ATOM 294 N GLY A 23 14.031 -3.375 -5.738 1.00 0.00 N ATOM 295 CA GLY A 23 13.768 -2.969 -7.106 1.00 0.00 C ATOM 296 C GLY A 23 12.519 -3.614 -7.673 1.00 0.00 C ATOM 297 O GLY A 23 11.902 -3.082 -8.595 1.00 0.00 O ATOM 0 H GLY A 23 13.712 -2.717 -5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.663 -1.885 -7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.623 -3.230 -7.730 1.00 0.00 H new ATOM 301 N GLU A 24 12.148 -4.766 -7.122 1.00 0.00 N ATOM 302 CA GLU A 24 10.966 -5.486 -7.581 1.00 0.00 C ATOM 303 C GLU A 24 9.694 -4.709 -7.253 1.00 0.00 C ATOM 304 O GLU A 24 9.748 -3.628 -6.666 1.00 0.00 O ATOM 305 CB GLU A 24 10.907 -6.875 -6.942 1.00 0.00 C ATOM 306 CG GLU A 24 12.128 -7.731 -7.233 1.00 0.00 C ATOM 307 CD GLU A 24 12.325 -7.980 -8.716 1.00 0.00 C ATOM 308 OE1 GLU A 24 11.354 -8.391 -9.384 1.00 0.00 O ATOM 309 OE2 GLU A 24 13.453 -7.764 -9.208 1.00 0.00 O ATOM 0 H GLU A 24 12.649 -5.220 -6.358 1.00 0.00 H new ATOM 0 HA GLU A 24 11.036 -5.595 -8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.800 -6.765 -5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.017 -7.393 -7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.015 -7.242 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.029 -8.686 -6.718 1.00 0.00 H new ATOM 316 N ASP A 25 8.552 -5.267 -7.637 1.00 0.00 N ATOM 317 CA ASP A 25 7.265 -4.627 -7.384 1.00 0.00 C ATOM 318 C ASP A 25 6.445 -5.435 -6.384 1.00 0.00 C ATOM 319 O ASP A 25 6.329 -6.654 -6.502 1.00 0.00 O ATOM 320 CB ASP A 25 6.486 -4.466 -8.690 1.00 0.00 C ATOM 321 CG ASP A 25 6.690 -5.635 -9.634 1.00 0.00 C ATOM 322 OD1 ASP A 25 7.663 -5.603 -10.416 1.00 0.00 O ATOM 323 OD2 ASP A 25 5.876 -6.582 -9.591 1.00 0.00 O ATOM 0 H ASP A 25 8.490 -6.161 -8.125 1.00 0.00 H new ATOM 0 HA ASP A 25 7.454 -3.641 -6.959 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.424 -4.365 -8.466 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.797 -3.545 -9.184 1.00 0.00 H new ATOM 328 N ALA A 26 5.877 -4.746 -5.399 1.00 0.00 N ATOM 329 CA ALA A 26 5.066 -5.399 -4.379 1.00 0.00 C ATOM 330 C ALA A 26 3.580 -5.286 -4.703 1.00 0.00 C ATOM 331 O ALA A 26 3.135 -4.299 -5.288 1.00 0.00 O ATOM 332 CB ALA A 26 5.357 -4.801 -3.011 1.00 0.00 C ATOM 0 H ALA A 26 5.964 -3.736 -5.286 1.00 0.00 H new ATOM 0 HA ALA A 26 5.328 -6.457 -4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.744 -5.298 -2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.411 -4.940 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.124 -3.736 -3.022 1.00 0.00 H new ATOM 338 N VAL A 27 2.817 -6.305 -4.319 1.00 0.00 N ATOM 339 CA VAL A 27 1.380 -6.319 -4.569 1.00 0.00 C ATOM 340 C VAL A 27 0.601 -6.570 -3.282 1.00 0.00 C ATOM 341 O VAL A 27 0.921 -7.481 -2.518 1.00 0.00 O ATOM 342 CB VAL A 27 1.001 -7.395 -5.604 1.00 0.00 C ATOM 343 CG1 VAL A 27 -0.492 -7.357 -5.892 1.00 0.00 C ATOM 344 CG2 VAL A 27 1.804 -7.211 -6.882 1.00 0.00 C ATOM 0 H VAL A 27 3.169 -7.130 -3.834 1.00 0.00 H new ATOM 0 HA VAL A 27 1.117 -5.338 -4.964 1.00 0.00 H new ATOM 0 HB VAL A 27 1.241 -8.374 -5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.741 -8.124 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.045 -7.542 -4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.762 -6.377 -6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.523 -7.980 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.598 -6.227 -7.303 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.868 -7.294 -6.659 1.00 0.00 H new ATOM 354 N PHE A 28 -0.423 -5.756 -3.049 1.00 0.00 N ATOM 355 CA PHE A 28 -1.248 -5.889 -1.854 1.00 0.00 C ATOM 356 C PHE A 28 -2.704 -5.546 -2.157 1.00 0.00 C ATOM 357 O PHE A 28 -2.989 -4.604 -2.896 1.00 0.00 O ATOM 358 CB PHE A 28 -0.720 -4.983 -0.740 1.00 0.00 C ATOM 359 CG PHE A 28 0.698 -5.282 -0.345 1.00 0.00 C ATOM 360 CD1 PHE A 28 0.987 -6.344 0.497 1.00 0.00 C ATOM 361 CD2 PHE A 28 1.741 -4.501 -0.815 1.00 0.00 C ATOM 362 CE1 PHE A 28 2.291 -6.622 0.862 1.00 0.00 C ATOM 363 CE2 PHE A 28 3.047 -4.775 -0.454 1.00 0.00 C ATOM 364 CZ PHE A 28 3.322 -5.836 0.386 1.00 0.00 C ATOM 0 H PHE A 28 -0.701 -4.998 -3.672 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.199 -6.926 -1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.787 -3.945 -1.065 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.362 -5.085 0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.184 -6.961 0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.532 -3.669 -1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.503 -7.453 1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.852 -4.160 -0.829 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.342 -6.051 0.670 1.00 0.00 H new ATOM 374 N SER A 29 -3.620 -6.318 -1.581 1.00 0.00 N ATOM 375 CA SER A 29 -5.046 -6.100 -1.793 1.00 0.00 C ATOM 376 C SER A 29 -5.869 -6.818 -0.728 1.00 0.00 C ATOM 377 O SER A 29 -5.364 -7.688 -0.018 1.00 0.00 O ATOM 378 CB SER A 29 -5.457 -6.584 -3.184 1.00 0.00 C ATOM 379 OG SER A 29 -4.997 -7.904 -3.421 1.00 0.00 O ATOM 0 H SER A 29 -3.400 -7.100 -0.964 1.00 0.00 H new ATOM 0 HA SER A 29 -5.240 -5.030 -1.717 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.542 -6.551 -3.278 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.051 -5.913 -3.941 1.00 0.00 H new ATOM 0 HG SER A 29 -5.274 -8.191 -4.316 1.00 0.00 H new ATOM 385 N LEU A 30 -7.140 -6.447 -0.623 1.00 0.00 N ATOM 386 CA LEU A 30 -8.036 -7.056 0.355 1.00 0.00 C ATOM 387 C LEU A 30 -9.457 -7.148 -0.191 1.00 0.00 C ATOM 388 O LEU A 30 -9.755 -6.625 -1.266 1.00 0.00 O ATOM 389 CB LEU A 30 -8.029 -6.248 1.654 1.00 0.00 C ATOM 390 CG LEU A 30 -8.458 -4.785 1.538 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.954 -4.647 1.775 1.00 0.00 C ATOM 392 CD2 LEU A 30 -7.678 -3.921 2.518 1.00 0.00 C ATOM 0 H LEU A 30 -7.574 -5.728 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.679 -8.065 0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.686 -6.743 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.023 -6.278 2.072 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.238 -4.441 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.241 -3.599 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.496 -5.234 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.199 -5.009 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.996 -2.883 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.865 -4.265 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.613 -3.995 2.300 1.00 0.00 H new ATOM 404 N ASP A 31 -10.331 -7.813 0.556 1.00 0.00 N ATOM 405 CA ASP A 31 -11.722 -7.971 0.148 1.00 0.00 C ATOM 406 C ASP A 31 -12.667 -7.452 1.227 1.00 0.00 C ATOM 407 O ASP A 31 -12.372 -7.539 2.420 1.00 0.00 O ATOM 408 CB ASP A 31 -12.025 -9.440 -0.149 1.00 0.00 C ATOM 409 CG ASP A 31 -11.001 -10.068 -1.074 1.00 0.00 C ATOM 410 OD1 ASP A 31 -9.800 -9.764 -0.921 1.00 0.00 O ATOM 411 OD2 ASP A 31 -11.401 -10.861 -1.952 1.00 0.00 O ATOM 0 H ASP A 31 -10.101 -8.252 1.448 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.878 -7.386 -0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.055 -9.998 0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.014 -9.520 -0.600 1.00 0.00 H new ATOM 416 N LEU A 32 -13.803 -6.911 0.801 1.00 0.00 N ATOM 417 CA LEU A 32 -14.791 -6.376 1.731 1.00 0.00 C ATOM 418 C LEU A 32 -16.199 -6.814 1.341 1.00 0.00 C ATOM 419 O LEU A 32 -16.427 -7.283 0.226 1.00 0.00 O ATOM 420 CB LEU A 32 -14.712 -4.849 1.768 1.00 0.00 C ATOM 421 CG LEU A 32 -13.332 -4.255 2.057 1.00 0.00 C ATOM 422 CD1 LEU A 32 -13.366 -2.740 1.929 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.855 -4.665 3.442 1.00 0.00 C ATOM 0 H LEU A 32 -14.063 -6.831 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.569 -6.769 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.058 -4.464 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.407 -4.487 2.526 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.628 -4.645 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.376 -2.335 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.663 -2.467 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.083 -2.331 2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.872 -4.234 3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.560 -4.304 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.791 -5.752 3.498 1.00 0.00 H new ATOM 435 N SER A 33 -17.141 -6.655 2.265 1.00 0.00 N ATOM 436 CA SER A 33 -18.527 -7.036 2.018 1.00 0.00 C ATOM 437 C SER A 33 -19.355 -5.826 1.596 1.00 0.00 C ATOM 438 O SER A 33 -20.580 -5.903 1.488 1.00 0.00 O ATOM 439 CB SER A 33 -19.134 -7.672 3.270 1.00 0.00 C ATOM 440 OG SER A 33 -20.149 -8.600 2.929 1.00 0.00 O ATOM 0 H SER A 33 -16.970 -6.265 3.192 1.00 0.00 H new ATOM 0 HA SER A 33 -18.539 -7.764 1.207 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.354 -8.175 3.841 1.00 0.00 H new ATOM 0 HB3 SER A 33 -19.548 -6.895 3.912 1.00 0.00 H new ATOM 0 HG SER A 33 -20.520 -8.994 3.746 1.00 0.00 H new ATOM 446 N THR A 34 -18.678 -4.707 1.357 1.00 0.00 N ATOM 447 CA THR A 34 -19.349 -3.480 0.947 1.00 0.00 C ATOM 448 C THR A 34 -18.342 -2.420 0.516 1.00 0.00 C ATOM 449 O THR A 34 -17.213 -2.388 1.006 1.00 0.00 O ATOM 450 CB THR A 34 -20.222 -2.912 2.082 1.00 0.00 C ATOM 451 OG1 THR A 34 -20.930 -1.755 1.623 1.00 0.00 O ATOM 452 CG2 THR A 34 -19.370 -2.546 3.288 1.00 0.00 C ATOM 0 H THR A 34 -17.665 -4.626 1.441 1.00 0.00 H new ATOM 0 HA THR A 34 -19.987 -3.736 0.101 1.00 0.00 H new ATOM 0 HB THR A 34 -20.936 -3.680 2.381 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.484 -1.401 2.350 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.008 -2.147 4.077 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.855 -3.435 3.653 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.636 -1.794 3.000 1.00 0.00 H new ATOM 460 N ILE A 35 -18.758 -1.555 -0.403 1.00 0.00 N ATOM 461 CA ILE A 35 -17.892 -0.492 -0.898 1.00 0.00 C ATOM 462 C ILE A 35 -17.406 0.397 0.242 1.00 0.00 C ATOM 463 O ILE A 35 -18.091 0.559 1.252 1.00 0.00 O ATOM 464 CB ILE A 35 -18.612 0.381 -1.943 1.00 0.00 C ATOM 465 CG1 ILE A 35 -19.059 -0.473 -3.131 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.704 1.510 -2.407 1.00 0.00 C ATOM 467 CD1 ILE A 35 -20.017 0.239 -4.060 1.00 0.00 C ATOM 0 H ILE A 35 -19.689 -1.569 -0.820 1.00 0.00 H new ATOM 0 HA ILE A 35 -17.036 -0.976 -1.369 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.497 0.820 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -18.180 -0.783 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -19.534 -1.380 -2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.227 2.118 -3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.430 2.131 -1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.803 1.091 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -20.291 -0.426 -4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -20.913 0.525 -3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -19.538 1.132 -4.462 1.00 0.00 H new ATOM 479 N ILE A 36 -16.220 0.971 0.072 1.00 0.00 N ATOM 480 CA ILE A 36 -15.643 1.846 1.085 1.00 0.00 C ATOM 481 C ILE A 36 -14.349 2.482 0.590 1.00 0.00 C ATOM 482 O ILE A 36 -13.621 1.891 -0.207 1.00 0.00 O ATOM 483 CB ILE A 36 -15.360 1.083 2.393 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.191 2.064 3.555 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.120 0.215 2.241 1.00 0.00 C ATOM 486 CD1 ILE A 36 -15.064 1.389 4.903 1.00 0.00 C ATOM 0 H ILE A 36 -15.640 0.846 -0.758 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.377 2.628 1.282 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.209 0.435 2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.305 2.674 3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.045 2.741 3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -13.933 -0.318 3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.276 -0.504 1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.262 0.844 2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -14.947 2.145 5.679 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.960 0.801 5.101 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -14.193 0.734 4.901 1.00 0.00 H new ATOM 498 N GLN A 37 -14.067 3.689 1.071 1.00 0.00 N ATOM 499 CA GLN A 37 -12.859 4.405 0.678 1.00 0.00 C ATOM 500 C GLN A 37 -12.013 4.755 1.897 1.00 0.00 C ATOM 501 O GLN A 37 -12.101 5.860 2.430 1.00 0.00 O ATOM 502 CB GLN A 37 -13.222 5.678 -0.089 1.00 0.00 C ATOM 503 CG GLN A 37 -12.022 6.546 -0.429 1.00 0.00 C ATOM 504 CD GLN A 37 -12.408 7.814 -1.166 1.00 0.00 C ATOM 505 OE1 GLN A 37 -12.414 8.903 -0.591 1.00 0.00 O ATOM 506 NE2 GLN A 37 -12.733 7.678 -2.446 1.00 0.00 N ATOM 0 H GLN A 37 -14.658 4.191 1.733 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.275 3.753 0.029 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.734 5.403 -1.011 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.926 6.262 0.505 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.497 6.810 0.489 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.325 5.973 -1.041 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.714 6.756 -2.882 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.002 8.496 -2.994 1.00 0.00 H new ATOM 515 N GLY A 38 -11.192 3.805 2.334 1.00 0.00 N ATOM 516 CA GLY A 38 -10.342 4.032 3.488 1.00 0.00 C ATOM 517 C GLY A 38 -9.043 4.723 3.124 1.00 0.00 C ATOM 518 O GLY A 38 -8.990 5.499 2.169 1.00 0.00 O ATOM 0 H GLY A 38 -11.100 2.882 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.880 4.637 4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.121 3.078 3.966 1.00 0.00 H new ATOM 522 N THR A 39 -7.991 4.443 3.887 1.00 0.00 N ATOM 523 CA THR A 39 -6.687 5.046 3.642 1.00 0.00 C ATOM 524 C THR A 39 -5.568 4.026 3.823 1.00 0.00 C ATOM 525 O THR A 39 -5.603 3.209 4.742 1.00 0.00 O ATOM 526 CB THR A 39 -6.434 6.240 4.581 1.00 0.00 C ATOM 527 OG1 THR A 39 -7.317 7.318 4.250 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.991 6.712 4.481 1.00 0.00 C ATOM 0 H THR A 39 -8.017 3.802 4.680 1.00 0.00 H new ATOM 0 HA THR A 39 -6.691 5.399 2.611 1.00 0.00 H new ATOM 0 HB THR A 39 -6.623 5.915 5.604 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.151 8.073 4.852 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.837 7.556 5.153 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.322 5.898 4.761 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.779 7.020 3.457 1.00 0.00 H new ATOM 536 N TRP A 40 -4.576 4.082 2.941 1.00 0.00 N ATOM 537 CA TRP A 40 -3.445 3.163 3.004 1.00 0.00 C ATOM 538 C TRP A 40 -2.350 3.709 3.914 1.00 0.00 C ATOM 539 O TRP A 40 -2.166 4.921 4.021 1.00 0.00 O ATOM 540 CB TRP A 40 -2.884 2.914 1.603 1.00 0.00 C ATOM 541 CG TRP A 40 -3.702 1.950 0.798 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.724 2.256 -0.055 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.569 0.525 0.774 1.00 0.00 C ATOM 544 NE1 TRP A 40 -5.233 1.106 -0.609 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.541 0.031 -0.118 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.721 -0.382 1.416 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.688 -1.329 -0.380 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -2.868 -1.731 1.155 1.00 0.00 C ATOM 549 CH2 TRP A 40 -3.845 -2.194 0.263 1.00 0.00 C ATOM 0 H TRP A 40 -4.532 4.753 2.174 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.799 2.219 3.418 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.824 3.863 1.069 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.867 2.532 1.689 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.080 3.254 -0.263 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -6.002 1.060 -1.278 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.964 -0.035 2.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.441 -1.688 -1.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.219 -2.441 1.647 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.934 -3.255 0.080 1.00 0.00 H new ATOM 560 N PHE A 41 -1.626 2.807 4.569 1.00 0.00 N ATOM 561 CA PHE A 41 -0.549 3.199 5.470 1.00 0.00 C ATOM 562 C PHE A 41 0.713 2.387 5.196 1.00 0.00 C ATOM 563 O PHE A 41 0.655 1.169 5.022 1.00 0.00 O ATOM 564 CB PHE A 41 -0.982 3.015 6.926 1.00 0.00 C ATOM 565 CG PHE A 41 -1.765 4.175 7.471 1.00 0.00 C ATOM 566 CD1 PHE A 41 -3.096 4.352 7.127 1.00 0.00 C ATOM 567 CD2 PHE A 41 -1.171 5.089 8.326 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.819 5.419 7.626 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.889 6.158 8.828 1.00 0.00 C ATOM 570 CZ PHE A 41 -3.215 6.323 8.479 1.00 0.00 C ATOM 0 H PHE A 41 -1.766 1.800 4.492 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.327 4.252 5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.585 2.111 7.005 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.097 2.863 7.543 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.574 3.648 6.461 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.135 4.965 8.604 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.855 5.546 7.349 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.413 6.864 9.493 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.778 7.156 8.872 1.00 0.00 H new ATOM 580 N LEU A 42 1.852 3.070 5.159 1.00 0.00 N ATOM 581 CA LEU A 42 3.129 2.413 4.905 1.00 0.00 C ATOM 582 C LEU A 42 4.098 2.641 6.061 1.00 0.00 C ATOM 583 O LEU A 42 4.241 3.760 6.552 1.00 0.00 O ATOM 584 CB LEU A 42 3.742 2.930 3.602 1.00 0.00 C ATOM 585 CG LEU A 42 4.702 1.979 2.888 1.00 0.00 C ATOM 586 CD1 LEU A 42 5.923 1.704 3.753 1.00 0.00 C ATOM 587 CD2 LEU A 42 3.997 0.679 2.529 1.00 0.00 C ATOM 0 H LEU A 42 1.917 4.078 5.302 1.00 0.00 H new ATOM 0 HA LEU A 42 2.946 1.342 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.932 3.179 2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.274 3.857 3.817 1.00 0.00 H new ATOM 0 HG LEU A 42 5.035 2.455 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.595 1.025 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.441 2.640 3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.608 1.249 4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.696 0.014 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.634 0.199 3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.155 0.892 1.870 1.00 0.00 H new ATOM 599 N ASN A 43 4.761 1.572 6.490 1.00 0.00 N ATOM 600 CA ASN A 43 5.718 1.656 7.588 1.00 0.00 C ATOM 601 C ASN A 43 5.136 2.444 8.757 1.00 0.00 C ATOM 602 O ASN A 43 5.848 3.181 9.439 1.00 0.00 O ATOM 603 CB ASN A 43 7.016 2.312 7.112 1.00 0.00 C ATOM 604 CG ASN A 43 7.899 1.352 6.339 1.00 0.00 C ATOM 605 OD1 ASN A 43 8.199 0.254 6.807 1.00 0.00 O ATOM 606 ND2 ASN A 43 8.320 1.764 5.148 1.00 0.00 N ATOM 0 H ASN A 43 4.653 0.638 6.095 1.00 0.00 H new ATOM 0 HA ASN A 43 5.934 0.643 7.927 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.777 3.169 6.482 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.565 2.693 7.973 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.917 1.161 4.582 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.046 2.683 4.800 1.00 0.00 H new ATOM 613 N GLY A 44 3.836 2.284 8.984 1.00 0.00 N ATOM 614 CA GLY A 44 3.180 2.986 10.072 1.00 0.00 C ATOM 615 C GLY A 44 2.649 4.341 9.650 1.00 0.00 C ATOM 616 O GLY A 44 1.706 4.858 10.248 1.00 0.00 O ATOM 0 H GLY A 44 3.225 1.681 8.434 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.358 2.378 10.449 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.884 3.115 10.894 1.00 0.00 H new ATOM 620 N GLU A 45 3.257 4.919 8.619 1.00 0.00 N ATOM 621 CA GLU A 45 2.840 6.224 8.120 1.00 0.00 C ATOM 622 C GLU A 45 1.655 6.090 7.169 1.00 0.00 C ATOM 623 O GLU A 45 1.284 4.985 6.775 1.00 0.00 O ATOM 624 CB GLU A 45 4.003 6.918 7.408 1.00 0.00 C ATOM 625 CG GLU A 45 4.918 7.688 8.345 1.00 0.00 C ATOM 626 CD GLU A 45 4.287 8.969 8.855 1.00 0.00 C ATOM 627 OE1 GLU A 45 4.448 10.014 8.191 1.00 0.00 O ATOM 628 OE2 GLU A 45 3.632 8.927 9.918 1.00 0.00 O ATOM 0 H GLU A 45 4.040 4.504 8.113 1.00 0.00 H new ATOM 0 HA GLU A 45 2.532 6.829 8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.590 6.170 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.603 7.603 6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.180 7.054 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.846 7.926 7.826 1.00 0.00 H new ATOM 635 N GLU A 46 1.064 7.224 6.805 1.00 0.00 N ATOM 636 CA GLU A 46 -0.080 7.233 5.901 1.00 0.00 C ATOM 637 C GLU A 46 0.351 7.589 4.481 1.00 0.00 C ATOM 638 O GLU A 46 1.307 8.339 4.280 1.00 0.00 O ATOM 639 CB GLU A 46 -1.136 8.227 6.390 1.00 0.00 C ATOM 640 CG GLU A 46 -2.425 8.191 5.585 1.00 0.00 C ATOM 641 CD GLU A 46 -2.405 9.149 4.410 1.00 0.00 C ATOM 642 OE1 GLU A 46 -1.300 9.502 3.950 1.00 0.00 O ATOM 643 OE2 GLU A 46 -3.497 9.544 3.949 1.00 0.00 O ATOM 0 H GLU A 46 1.358 8.148 7.122 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.511 6.232 5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.364 8.017 7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.721 9.234 6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.593 7.178 5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.263 8.438 6.237 1.00 0.00 H new ATOM 650 N LEU A 47 -0.361 7.045 3.500 1.00 0.00 N ATOM 651 CA LEU A 47 -0.053 7.304 2.098 1.00 0.00 C ATOM 652 C LEU A 47 -1.005 8.343 1.514 1.00 0.00 C ATOM 653 O LEU A 47 -2.212 8.117 1.429 1.00 0.00 O ATOM 654 CB LEU A 47 -0.136 6.008 1.289 1.00 0.00 C ATOM 655 CG LEU A 47 0.972 4.985 1.545 1.00 0.00 C ATOM 656 CD1 LEU A 47 0.577 3.623 0.996 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.281 5.453 0.926 1.00 0.00 C ATOM 0 H LEU A 47 -1.155 6.422 3.650 1.00 0.00 H new ATOM 0 HA LEU A 47 0.962 7.696 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.095 5.534 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.129 6.264 0.229 1.00 0.00 H new ATOM 0 HG LEU A 47 1.115 4.892 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.377 2.908 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.337 3.285 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.407 3.699 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.059 4.714 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.152 5.574 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.571 6.407 1.366 1.00 0.00 H new ATOM 910 N ARG A 64 0.600 2.405 -7.223 1.00 0.00 N ATOM 911 CA ARG A 64 -0.709 2.416 -7.865 1.00 0.00 C ATOM 912 C ARG A 64 -1.799 1.990 -6.885 1.00 0.00 C ATOM 913 O ARG A 64 -1.770 0.880 -6.353 1.00 0.00 O ATOM 914 CB ARG A 64 -0.712 1.489 -9.082 1.00 0.00 C ATOM 915 CG ARG A 64 -1.882 1.722 -10.023 1.00 0.00 C ATOM 916 CD ARG A 64 -2.075 0.551 -10.974 1.00 0.00 C ATOM 917 NE ARG A 64 -1.099 0.562 -12.060 1.00 0.00 N ATOM 918 CZ ARG A 64 -0.934 -0.446 -12.910 1.00 0.00 C ATOM 919 NH1 ARG A 64 -1.677 -1.538 -12.800 1.00 0.00 N ATOM 920 NH2 ARG A 64 -0.024 -0.362 -13.872 1.00 0.00 N ATOM 0 HA ARG A 64 -0.916 3.435 -8.192 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.219 1.624 -9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.733 0.454 -8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.792 1.874 -9.443 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.713 2.634 -10.596 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.990 -0.384 -10.420 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.082 0.584 -11.391 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.512 1.388 -12.172 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.377 -1.606 -12.062 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.548 -2.310 -13.454 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.550 0.477 -13.960 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.102 -1.136 -14.524 1.00 0.00 H new ATOM 934 N ILE A 65 -2.758 2.880 -6.652 1.00 0.00 N ATOM 935 CA ILE A 65 -3.856 2.596 -5.737 1.00 0.00 C ATOM 936 C ILE A 65 -5.174 2.445 -6.490 1.00 0.00 C ATOM 937 O ILE A 65 -5.829 3.434 -6.818 1.00 0.00 O ATOM 938 CB ILE A 65 -4.008 3.704 -4.678 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.790 3.725 -3.753 1.00 0.00 C ATOM 940 CG2 ILE A 65 -5.285 3.500 -3.877 1.00 0.00 C ATOM 941 CD1 ILE A 65 -2.816 4.852 -2.744 1.00 0.00 C ATOM 0 H ILE A 65 -2.797 3.803 -7.084 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.615 1.658 -5.237 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.072 4.666 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.731 2.775 -3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.887 3.810 -4.357 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.378 4.291 -3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.144 3.530 -4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.250 2.533 -3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.922 4.805 -2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.844 5.808 -3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.701 4.757 -2.115 1.00 0.00 H new ATOM 953 N GLU A 66 -5.556 1.201 -6.760 1.00 0.00 N ATOM 954 CA GLU A 66 -6.796 0.921 -7.474 1.00 0.00 C ATOM 955 C GLU A 66 -7.927 0.608 -6.498 1.00 0.00 C ATOM 956 O GLU A 66 -7.850 -0.352 -5.732 1.00 0.00 O ATOM 957 CB GLU A 66 -6.602 -0.251 -8.439 1.00 0.00 C ATOM 958 CG GLU A 66 -5.492 -0.027 -9.453 1.00 0.00 C ATOM 959 CD GLU A 66 -5.884 0.957 -10.538 1.00 0.00 C ATOM 960 OE1 GLU A 66 -6.598 1.933 -10.226 1.00 0.00 O ATOM 961 OE2 GLU A 66 -5.475 0.751 -11.700 1.00 0.00 O ATOM 0 H GLU A 66 -5.025 0.371 -6.495 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.066 1.810 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.382 -1.151 -7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.537 -0.432 -8.970 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.604 0.340 -8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.225 -0.980 -9.911 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.740 -2.681 -3.194 1.00 0.00 N ATOM 1015 CA LEU A 70 -15.279 -3.524 -2.097 1.00 0.00 C ATOM 1016 C LEU A 70 -14.014 -4.281 -2.487 1.00 0.00 C ATOM 1017 O LEU A 70 -13.835 -5.442 -2.118 1.00 0.00 O ATOM 1018 CB LEU A 70 -16.374 -4.512 -1.691 1.00 0.00 C ATOM 1019 CG LEU A 70 -17.341 -4.933 -2.798 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.816 -6.361 -2.577 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.525 -3.979 -2.862 1.00 0.00 C ATOM 0 HA LEU A 70 -15.048 -2.880 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.898 -5.408 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.952 -4.070 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.814 -4.891 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.503 -6.643 -3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.959 -7.034 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -18.327 -6.430 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -19.203 -4.293 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -19.053 -3.989 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -18.168 -2.970 -3.068 1.00 0.00 H new ATOM 1033 N GLN A 71 -13.138 -3.616 -3.234 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.889 -4.226 -3.672 1.00 0.00 C ATOM 1035 C GLN A 71 -10.779 -3.185 -3.769 1.00 0.00 C ATOM 1036 O GLN A 71 -10.785 -2.336 -4.661 1.00 0.00 O ATOM 1037 CB GLN A 71 -12.080 -4.913 -5.026 1.00 0.00 C ATOM 1038 CG GLN A 71 -11.121 -6.068 -5.263 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.547 -6.953 -6.418 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -12.292 -6.526 -7.300 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -11.074 -8.194 -6.419 1.00 0.00 N ATOM 0 H GLN A 71 -13.271 -2.655 -3.548 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.599 -4.971 -2.932 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.103 -5.281 -5.096 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.951 -4.176 -5.819 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.125 -5.673 -5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.051 -6.669 -4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.459 -8.506 -5.667 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.326 -8.835 -7.171 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.826 -3.256 -2.845 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.708 -2.319 -2.826 1.00 0.00 C ATOM 1052 C HIS A 72 -7.408 -3.016 -3.217 1.00 0.00 C ATOM 1053 O HIS A 72 -7.299 -4.239 -3.133 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.565 -1.690 -1.440 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.790 -0.956 -0.986 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -9.890 0.419 -0.996 1.00 0.00 N ATOM 1057 CD2 HIS A 72 -10.971 -1.414 -0.509 1.00 0.00 C ATOM 1058 CE1 HIS A 72 -11.078 0.775 -0.543 1.00 0.00 C ATOM 1059 NE2 HIS A 72 -11.754 -0.319 -0.241 1.00 0.00 N ATOM 0 H HIS A 72 -9.805 -3.952 -2.100 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.913 -1.534 -3.554 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.331 -2.472 -0.717 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.721 -1.001 -1.448 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -9.160 1.061 -1.305 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.246 -2.449 -0.366 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.436 1.788 -0.437 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.427 -2.229 -3.646 1.00 0.00 N ATOM 1068 CA ARG A 73 -5.136 -2.771 -4.052 1.00 0.00 C ATOM 1069 C ARG A 73 -4.080 -1.671 -4.115 1.00 0.00 C ATOM 1070 O ARG A 73 -4.342 -0.571 -4.605 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.253 -3.459 -5.414 1.00 0.00 C ATOM 1072 CG ARG A 73 -4.015 -4.250 -5.805 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.289 -5.160 -6.992 1.00 0.00 C ATOM 1074 NE ARG A 73 -4.532 -4.404 -8.217 1.00 0.00 N ATOM 1075 CZ ARG A 73 -5.174 -4.897 -9.271 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -5.635 -6.140 -9.248 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -5.357 -4.147 -10.349 1.00 0.00 N ATOM 0 H ARG A 73 -6.501 -1.215 -3.721 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.828 -3.505 -3.307 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.113 -4.129 -5.401 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.448 -2.705 -6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.205 -3.563 -6.051 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.680 -4.847 -4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.440 -5.827 -7.140 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.154 -5.787 -6.776 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.190 -3.444 -8.267 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.497 -6.720 -8.420 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.127 -6.516 -10.058 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.005 -3.190 -10.370 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.850 -4.527 -11.157 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.886 -1.975 -3.617 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.790 -1.012 -3.616 1.00 0.00 C ATOM 1093 C LEU A 74 -0.491 -1.665 -4.076 1.00 0.00 C ATOM 1094 O LEU A 74 0.187 -2.336 -3.298 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.608 -0.418 -2.218 1.00 0.00 C ATOM 1096 CG LEU A 74 -0.298 0.331 -1.972 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -0.348 1.713 -2.604 1.00 0.00 C ATOM 1098 CD2 LEU A 74 -0.014 0.434 -0.481 1.00 0.00 C ATOM 0 H LEU A 74 -2.652 -2.880 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.041 -0.213 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.435 0.265 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.684 -1.225 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 74 0.512 -0.230 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.593 2.232 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.504 1.616 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.169 2.283 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.922 0.970 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.826 0.972 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.066 -0.566 -0.056 1.00 0.00 H new ATOM 1110 N ILE A 75 -0.151 -1.463 -5.345 1.00 0.00 N ATOM 1111 CA ILE A 75 1.069 -2.030 -5.907 1.00 0.00 C ATOM 1112 C ILE A 75 2.231 -1.047 -5.803 1.00 0.00 C ATOM 1113 O ILE A 75 2.119 0.109 -6.213 1.00 0.00 O ATOM 1114 CB ILE A 75 0.877 -2.425 -7.383 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.482 -3.100 -7.580 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.002 -3.344 -7.836 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.575 -2.145 -8.006 1.00 0.00 C ATOM 0 H ILE A 75 -0.702 -0.912 -6.003 1.00 0.00 H new ATOM 0 HA ILE A 75 1.299 -2.923 -5.326 1.00 0.00 H new ATOM 0 HB ILE A 75 0.905 -1.522 -7.992 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.384 -3.885 -8.330 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.776 -3.584 -6.649 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.852 -3.614 -8.881 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.957 -2.831 -7.727 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.003 -4.246 -7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.510 -2.692 -8.127 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.701 -1.374 -7.246 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.302 -1.679 -8.953 1.00 0.00 H new ATOM 1129 N LEU A 76 3.346 -1.515 -5.254 1.00 0.00 N ATOM 1130 CA LEU A 76 4.531 -0.679 -5.097 1.00 0.00 C ATOM 1131 C LEU A 76 5.646 -1.134 -6.033 1.00 0.00 C ATOM 1132 O LEU A 76 6.386 -2.069 -5.725 1.00 0.00 O ATOM 1133 CB LEU A 76 5.018 -0.717 -3.647 1.00 0.00 C ATOM 1134 CG LEU A 76 3.980 -0.367 -2.581 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.470 -0.782 -1.202 1.00 0.00 C ATOM 1136 CD2 LEU A 76 3.666 1.122 -2.611 1.00 0.00 C ATOM 0 H LEU A 76 3.455 -2.469 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 76 4.260 0.345 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.400 -1.717 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.857 -0.028 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 76 3.064 -0.916 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.718 -0.525 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.644 -1.858 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.400 -0.261 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.925 1.353 -1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.576 1.690 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.271 1.391 -3.591 1.00 0.00 H new ATOM 1148 N HIS A 77 5.763 -0.465 -7.175 1.00 0.00 N ATOM 1149 CA HIS A 77 6.790 -0.798 -8.155 1.00 0.00 C ATOM 1150 C HIS A 77 8.116 -0.131 -7.801 1.00 0.00 C ATOM 1151 O HIS A 77 8.161 1.061 -7.501 1.00 0.00 O ATOM 1152 CB HIS A 77 6.348 -0.370 -9.555 1.00 0.00 C ATOM 1153 CG HIS A 77 4.867 -0.446 -9.765 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.247 -1.520 -10.368 1.00 0.00 N ATOM 1155 CD2 HIS A 77 3.882 0.426 -9.447 1.00 0.00 C ATOM 1156 CE1 HIS A 77 2.944 -1.304 -10.413 1.00 0.00 C ATOM 1157 NE2 HIS A 77 2.697 -0.131 -9.860 1.00 0.00 N ATOM 0 H HIS A 77 5.159 0.311 -7.445 1.00 0.00 H new ATOM 0 HA HIS A 77 6.932 -1.879 -8.142 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.680 0.652 -9.735 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.844 -1.001 -10.292 1.00 0.00 H new ATOM 0 HD1 HIS A 77 4.720 -2.351 -10.724 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.005 1.382 -8.959 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.207 -1.973 -10.831 1.00 0.00 H new ATOM 1166 N ALA A 78 9.193 -0.910 -7.837 1.00 0.00 N ATOM 1167 CA ALA A 78 10.519 -0.394 -7.521 1.00 0.00 C ATOM 1168 C ALA A 78 10.676 -0.166 -6.021 1.00 0.00 C ATOM 1169 O ALA A 78 11.015 0.933 -5.582 1.00 0.00 O ATOM 1170 CB ALA A 78 10.779 0.897 -8.283 1.00 0.00 C ATOM 0 H ALA A 78 9.173 -1.900 -8.082 1.00 0.00 H new ATOM 0 HA ALA A 78 11.254 -1.138 -7.828 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.773 1.271 -8.037 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.718 0.706 -9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.032 1.641 -8.004 1.00 0.00 H new ATOM 1176 N VAL A 79 10.427 -1.212 -5.239 1.00 0.00 N ATOM 1177 CA VAL A 79 10.542 -1.125 -3.788 1.00 0.00 C ATOM 1178 C VAL A 79 12.000 -1.021 -3.357 1.00 0.00 C ATOM 1179 O VAL A 79 12.907 -1.400 -4.098 1.00 0.00 O ATOM 1180 CB VAL A 79 9.901 -2.346 -3.101 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.392 -2.333 -3.288 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.502 -3.636 -3.638 1.00 0.00 C ATOM 0 H VAL A 79 10.145 -2.129 -5.586 1.00 0.00 H new ATOM 0 HA VAL A 79 10.011 -0.224 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 79 10.111 -2.292 -2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.957 -3.203 -2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.979 -1.424 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.157 -2.363 -4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 79 10.038 -4.488 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.325 -3.701 -4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.575 -3.645 -3.446 1.00 0.00 H new ATOM 1192 N LYS A 80 12.220 -0.504 -2.153 1.00 0.00 N ATOM 1193 CA LYS A 80 13.569 -0.351 -1.620 1.00 0.00 C ATOM 1194 C LYS A 80 13.817 -1.329 -0.477 1.00 0.00 C ATOM 1195 O LYS A 80 12.891 -1.707 0.242 1.00 0.00 O ATOM 1196 CB LYS A 80 13.787 1.084 -1.134 1.00 0.00 C ATOM 1197 CG LYS A 80 13.280 2.138 -2.103 1.00 0.00 C ATOM 1198 CD LYS A 80 14.142 2.209 -3.352 1.00 0.00 C ATOM 1199 CE LYS A 80 15.540 2.716 -3.037 1.00 0.00 C ATOM 1200 NZ LYS A 80 16.218 3.263 -4.245 1.00 0.00 N ATOM 0 H LYS A 80 11.481 -0.184 -1.527 1.00 0.00 H new ATOM 0 HA LYS A 80 14.276 -0.569 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.286 1.214 -0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.852 1.243 -0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.251 1.911 -2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.270 3.111 -1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.206 1.221 -3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.672 2.867 -4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.482 3.490 -2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.136 1.903 -2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.168 3.598 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.297 2.518 -4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.663 4.056 -4.626 1.00 0.00 H new ATOM 1214 N HIS A 81 15.072 -1.735 -0.313 1.00 0.00 N ATOM 1215 CA HIS A 81 15.442 -2.668 0.745 1.00 0.00 C ATOM 1216 C HIS A 81 15.506 -1.961 2.095 1.00 0.00 C ATOM 1217 O HIS A 81 15.193 -2.550 3.130 1.00 0.00 O ATOM 1218 CB HIS A 81 16.790 -3.319 0.433 1.00 0.00 C ATOM 1219 CG HIS A 81 17.301 -4.197 1.533 1.00 0.00 C ATOM 1220 ND1 HIS A 81 16.788 -5.450 1.795 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.285 -3.998 2.440 1.00 0.00 C ATOM 1222 CE1 HIS A 81 17.434 -5.983 2.817 1.00 0.00 C ATOM 1223 NE2 HIS A 81 18.348 -5.122 3.226 1.00 0.00 N ATOM 0 H HIS A 81 15.850 -1.432 -0.899 1.00 0.00 H new ATOM 0 HA HIS A 81 14.677 -3.442 0.796 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.696 -3.910 -0.478 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.523 -2.538 0.233 1.00 0.00 H new ATOM 0 HD2 HIS A 81 18.906 -3.119 2.529 1.00 0.00 H new ATOM 0 HE1 HIS A 81 17.247 -6.957 3.245 1.00 0.00 H new ATOM 0 HE2 HIS A 81 18.996 -5.268 4.000 1.00 0.00 H new ATOM 1232 N GLN A 82 15.913 -0.696 2.077 1.00 0.00 N ATOM 1233 CA GLN A 82 16.019 0.090 3.300 1.00 0.00 C ATOM 1234 C GLN A 82 14.710 0.060 4.082 1.00 0.00 C ATOM 1235 O GLN A 82 14.690 0.304 5.288 1.00 0.00 O ATOM 1236 CB GLN A 82 16.398 1.535 2.972 1.00 0.00 C ATOM 1237 CG GLN A 82 15.401 2.234 2.062 1.00 0.00 C ATOM 1238 CD GLN A 82 15.515 3.744 2.122 1.00 0.00 C ATOM 1239 OE1 GLN A 82 16.470 4.285 2.680 1.00 0.00 O ATOM 1240 NE2 GLN A 82 14.537 4.435 1.547 1.00 0.00 N ATOM 0 H GLN A 82 16.175 -0.194 1.229 1.00 0.00 H new ATOM 0 HA GLN A 82 16.801 -0.351 3.918 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.486 2.098 3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.379 1.546 2.498 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.557 1.902 1.036 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.390 1.938 2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.764 3.946 1.096 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.559 5.455 1.557 1.00 0.00 H new ATOM 1249 N ASP A 83 13.619 -0.240 3.386 1.00 0.00 N ATOM 1250 CA ASP A 83 12.305 -0.303 4.015 1.00 0.00 C ATOM 1251 C ASP A 83 11.873 -1.750 4.230 1.00 0.00 C ATOM 1252 O ASP A 83 10.680 -2.053 4.271 1.00 0.00 O ATOM 1253 CB ASP A 83 11.270 0.430 3.159 1.00 0.00 C ATOM 1254 CG ASP A 83 11.615 1.892 2.959 1.00 0.00 C ATOM 1255 OD1 ASP A 83 12.109 2.521 3.918 1.00 0.00 O ATOM 1256 OD2 ASP A 83 11.390 2.409 1.844 1.00 0.00 O ATOM 0 H ASP A 83 13.618 -0.443 2.386 1.00 0.00 H new ATOM 0 HA ASP A 83 12.372 0.185 4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.195 -0.059 2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.291 0.352 3.632 1.00 0.00 H new ATOM 1261 N SER A 84 12.851 -2.640 4.364 1.00 0.00 N ATOM 1262 CA SER A 84 12.572 -4.057 4.569 1.00 0.00 C ATOM 1263 C SER A 84 11.466 -4.249 5.602 1.00 0.00 C ATOM 1264 O SER A 84 11.197 -3.363 6.412 1.00 0.00 O ATOM 1265 CB SER A 84 13.838 -4.787 5.020 1.00 0.00 C ATOM 1266 OG SER A 84 14.255 -4.343 6.299 1.00 0.00 O ATOM 0 H SER A 84 13.843 -2.405 4.334 1.00 0.00 H new ATOM 0 HA SER A 84 12.237 -4.477 3.621 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.652 -5.861 5.047 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.635 -4.620 4.296 1.00 0.00 H new ATOM 0 HG SER A 84 15.065 -4.826 6.565 1.00 0.00 H new ATOM 1272 N GLY A 85 10.827 -5.414 5.567 1.00 0.00 N ATOM 1273 CA GLY A 85 9.757 -5.703 6.504 1.00 0.00 C ATOM 1274 C GLY A 85 8.887 -4.493 6.781 1.00 0.00 C ATOM 1275 O GLY A 85 8.601 -4.178 7.936 1.00 0.00 O ATOM 0 H GLY A 85 11.031 -6.163 4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.139 -6.508 6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.185 -6.061 7.440 1.00 0.00 H new ATOM 1279 N ALA A 86 8.467 -3.812 5.720 1.00 0.00 N ATOM 1280 CA ALA A 86 7.625 -2.630 5.855 1.00 0.00 C ATOM 1281 C ALA A 86 6.236 -3.001 6.364 1.00 0.00 C ATOM 1282 O ALA A 86 5.892 -4.180 6.457 1.00 0.00 O ATOM 1283 CB ALA A 86 7.524 -1.899 4.524 1.00 0.00 C ATOM 0 H ALA A 86 8.696 -4.059 4.757 1.00 0.00 H new ATOM 0 HA ALA A 86 8.086 -1.967 6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.892 -1.018 4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.519 -1.592 4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.089 -2.562 3.777 1.00 0.00 H new ATOM 1289 N LEU A 87 5.442 -1.988 6.692 1.00 0.00 N ATOM 1290 CA LEU A 87 4.089 -2.208 7.192 1.00 0.00 C ATOM 1291 C LEU A 87 3.051 -1.680 6.207 1.00 0.00 C ATOM 1292 O LEU A 87 2.879 -0.470 6.059 1.00 0.00 O ATOM 1293 CB LEU A 87 3.910 -1.529 8.551 1.00 0.00 C ATOM 1294 CG LEU A 87 2.957 -2.220 9.527 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.611 -2.476 8.867 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.562 -3.522 10.031 1.00 0.00 C ATOM 0 H LEU A 87 5.711 -1.007 6.621 1.00 0.00 H new ATOM 0 HA LEU A 87 3.941 -3.282 7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.888 -1.448 9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.552 -0.513 8.383 1.00 0.00 H new ATOM 0 HG LEU A 87 2.801 -1.561 10.381 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.946 -2.968 9.576 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.172 -1.528 8.556 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.749 -3.115 7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.870 -4.000 10.724 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.748 -4.187 9.188 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.502 -3.313 10.542 1.00 0.00 H new ATOM 1308 N VAL A 88 2.360 -2.596 5.535 1.00 0.00 N ATOM 1309 CA VAL A 88 1.337 -2.223 4.566 1.00 0.00 C ATOM 1310 C VAL A 88 -0.057 -2.572 5.077 1.00 0.00 C ATOM 1311 O VAL A 88 -0.431 -3.743 5.139 1.00 0.00 O ATOM 1312 CB VAL A 88 1.565 -2.921 3.212 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.616 -2.370 2.160 1.00 0.00 C ATOM 1314 CG2 VAL A 88 3.013 -2.765 2.771 1.00 0.00 C ATOM 0 H VAL A 88 2.491 -3.602 5.644 1.00 0.00 H new ATOM 0 HA VAL A 88 1.411 -1.144 4.427 1.00 0.00 H new ATOM 0 HB VAL A 88 1.357 -3.984 3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.792 -2.875 1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.414 -2.538 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.788 -1.300 2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.157 -3.264 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.250 -1.706 2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.671 -3.213 3.516 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.821 -1.548 5.441 1.00 0.00 N ATOM 1325 CA GLY A 89 -2.166 -1.767 5.942 1.00 0.00 C ATOM 1326 C GLY A 89 -3.149 -0.731 5.434 1.00 0.00 C ATOM 1327 O GLY A 89 -2.762 0.383 5.081 1.00 0.00 O ATOM 0 H GLY A 89 -0.533 -0.570 5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.504 -2.760 5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.152 -1.747 7.032 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.426 -1.098 5.395 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.468 -0.193 4.924 1.00 0.00 C ATOM 1333 C PHE A 90 -6.472 0.104 6.034 1.00 0.00 C ATOM 1334 O PHE A 90 -7.292 -0.744 6.387 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.188 -0.795 3.716 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.547 -0.205 3.473 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -7.682 1.011 2.822 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -8.690 -0.865 3.894 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -8.932 1.557 2.597 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -9.942 -0.324 3.672 1.00 0.00 C ATOM 1341 CZ PHE A 90 -10.063 0.889 3.022 1.00 0.00 C ATOM 0 H PHE A 90 -4.764 -2.016 5.684 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.995 0.743 4.626 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.574 -0.650 2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.288 -1.871 3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.801 1.538 2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.601 -1.814 4.402 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.024 2.506 2.089 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.825 -0.849 4.006 1.00 0.00 H new ATOM 0 HZ PHE A 90 -11.040 1.314 2.847 1.00 0.00 H new ATOM 1351 N SER A 91 -6.402 1.314 6.579 1.00 0.00 N ATOM 1352 CA SER A 91 -7.302 1.722 7.652 1.00 0.00 C ATOM 1353 C SER A 91 -8.611 2.265 7.085 1.00 0.00 C ATOM 1354 O SER A 91 -8.609 3.119 6.198 1.00 0.00 O ATOM 1355 CB SER A 91 -6.635 2.783 8.530 1.00 0.00 C ATOM 1356 OG SER A 91 -6.421 3.983 7.807 1.00 0.00 O ATOM 0 H SER A 91 -5.732 2.029 6.296 1.00 0.00 H new ATOM 0 HA SER A 91 -7.525 0.845 8.260 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.260 2.985 9.400 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.683 2.405 8.903 1.00 0.00 H new ATOM 0 HG SER A 91 -5.475 4.052 7.560 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.726 1.762 7.604 1.00 0.00 N ATOM 1363 CA CYS A 92 -11.043 2.195 7.151 1.00 0.00 C ATOM 1364 C CYS A 92 -12.018 2.284 8.320 1.00 0.00 C ATOM 1365 O CYS A 92 -11.841 1.646 9.358 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.583 1.231 6.093 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.633 -0.082 6.758 1.00 0.00 S ATOM 0 H CYS A 92 -9.744 1.054 8.338 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.941 3.187 6.711 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.152 1.798 5.356 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.743 0.778 5.567 1.00 0.00 H new ATOM 0 HG CYS A 92 -13.042 -0.844 5.787 1.00 0.00 H new ATOM 1373 N PRO A 93 -13.072 3.096 8.151 1.00 0.00 N ATOM 1374 CA PRO A 93 -14.096 3.290 9.182 1.00 0.00 C ATOM 1375 C PRO A 93 -14.959 2.049 9.381 1.00 0.00 C ATOM 1376 O PRO A 93 -16.079 1.972 8.878 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.938 4.444 8.633 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.749 4.383 7.157 1.00 0.00 C ATOM 1379 CD PRO A 93 -13.346 3.887 6.939 1.00 0.00 C ATOM 0 HA PRO A 93 -13.658 3.492 10.159 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.988 4.331 8.903 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.607 5.402 9.035 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.476 3.713 6.698 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.891 5.365 6.705 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.270 3.280 6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.641 4.711 6.829 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.431 1.078 10.120 1.00 0.00 N ATOM 1388 CA GLY A 94 -15.167 -0.147 10.374 1.00 0.00 C ATOM 1389 C GLY A 94 -14.267 -1.365 10.425 1.00 0.00 C ATOM 1390 O GLY A 94 -14.649 -2.406 10.959 1.00 0.00 O ATOM 0 H GLY A 94 -13.506 1.118 10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.703 -0.056 11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.916 -0.285 9.594 1.00 0.00 H new ATOM 1394 N VAL A 95 -13.067 -1.236 9.867 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.109 -2.336 9.851 1.00 0.00 C ATOM 1396 C VAL A 95 -10.692 -1.833 10.100 1.00 0.00 C ATOM 1397 O VAL A 95 -10.352 -0.705 9.745 1.00 0.00 O ATOM 1398 CB VAL A 95 -12.146 -3.092 8.510 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -11.023 -4.116 8.444 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.499 -3.760 8.313 1.00 0.00 C ATOM 0 H VAL A 95 -12.735 -0.381 9.420 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.395 -3.018 10.652 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.999 -2.374 7.703 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -11.065 -4.641 7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.063 -3.609 8.538 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.136 -4.833 9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.508 -4.290 7.360 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.677 -4.467 9.123 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.282 -3.002 8.314 1.00 0.00 H new ATOM 1410 N GLN A 96 -9.869 -2.679 10.712 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.487 -2.320 11.009 1.00 0.00 C ATOM 1412 C GLN A 96 -7.565 -3.524 10.846 1.00 0.00 C ATOM 1413 O GLN A 96 -7.567 -4.436 11.673 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.376 -1.765 12.430 1.00 0.00 C ATOM 1415 CG GLN A 96 -6.954 -1.751 12.968 1.00 0.00 C ATOM 1416 CD GLN A 96 -6.597 -3.025 13.707 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -5.610 -3.688 13.384 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -7.398 -3.374 14.707 1.00 0.00 N ATOM 0 H GLN A 96 -10.135 -3.617 11.012 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.178 -1.551 10.302 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.772 -0.750 12.447 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.001 -2.362 13.094 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.258 -1.608 12.141 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.832 -0.900 13.638 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.205 -2.795 14.940 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.207 -4.221 15.242 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.779 -3.520 9.775 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.851 -4.611 9.504 1.00 0.00 C ATOM 1429 C ASP A 97 -4.609 -4.102 8.780 1.00 0.00 C ATOM 1430 O ASP A 97 -4.588 -2.978 8.278 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.534 -5.695 8.670 1.00 0.00 C ATOM 1432 CG ASP A 97 -5.934 -7.068 8.900 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -5.288 -7.265 9.950 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -6.111 -7.946 8.029 1.00 0.00 O ATOM 0 H ASP A 97 -6.766 -2.773 9.080 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.543 -5.038 10.459 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.596 -5.721 8.913 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.455 -5.440 7.613 1.00 0.00 H new ATOM 1439 N SER A 98 -3.575 -4.935 8.730 1.00 0.00 N ATOM 1440 CA SER A 98 -2.327 -4.567 8.072 1.00 0.00 C ATOM 1441 C SER A 98 -1.558 -5.809 7.631 1.00 0.00 C ATOM 1442 O SER A 98 -1.936 -6.934 7.957 1.00 0.00 O ATOM 1443 CB SER A 98 -1.461 -3.723 9.008 1.00 0.00 C ATOM 1444 OG SER A 98 -0.959 -4.503 10.080 1.00 0.00 O ATOM 0 H SER A 98 -3.577 -5.870 9.138 1.00 0.00 H new ATOM 0 HA SER A 98 -2.572 -3.979 7.187 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.631 -3.290 8.449 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.048 -2.893 9.402 1.00 0.00 H new ATOM 0 HG SER A 98 -0.689 -3.914 10.815 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.477 -5.596 6.889 1.00 0.00 N ATOM 1451 CA ALA A 99 0.347 -6.696 6.405 1.00 0.00 C ATOM 1452 C ALA A 99 1.831 -6.382 6.562 1.00 0.00 C ATOM 1453 O ALA A 99 2.205 -5.259 6.897 1.00 0.00 O ATOM 1454 CB ALA A 99 0.021 -6.999 4.949 1.00 0.00 C ATOM 0 H ALA A 99 -0.151 -4.671 6.610 1.00 0.00 H new ATOM 0 HA ALA A 99 0.123 -7.576 7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.644 -7.823 4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.030 -7.276 4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.215 -6.115 4.341 1.00 0.00 H new ATOM 1460 N ALA A 100 2.672 -7.382 6.320 1.00 0.00 N ATOM 1461 CA ALA A 100 4.115 -7.212 6.434 1.00 0.00 C ATOM 1462 C ALA A 100 4.795 -7.367 5.078 1.00 0.00 C ATOM 1463 O ALA A 100 4.613 -8.374 4.392 1.00 0.00 O ATOM 1464 CB ALA A 100 4.687 -8.209 7.430 1.00 0.00 C ATOM 0 H ALA A 100 2.378 -8.319 6.044 1.00 0.00 H new ATOM 0 HA ALA A 100 4.309 -6.202 6.795 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.766 -8.070 7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.232 -8.049 8.407 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.474 -9.223 7.093 1.00 0.00 H new ATOM 1470 N LEU A 101 5.578 -6.364 4.696 1.00 0.00 N ATOM 1471 CA LEU A 101 6.285 -6.388 3.420 1.00 0.00 C ATOM 1472 C LEU A 101 7.773 -6.652 3.628 1.00 0.00 C ATOM 1473 O LEU A 101 8.522 -5.763 4.035 1.00 0.00 O ATOM 1474 CB LEU A 101 6.089 -5.064 2.680 1.00 0.00 C ATOM 1475 CG LEU A 101 7.103 -4.754 1.579 1.00 0.00 C ATOM 1476 CD1 LEU A 101 6.811 -5.579 0.336 1.00 0.00 C ATOM 1477 CD2 LEU A 101 7.095 -3.268 1.250 1.00 0.00 C ATOM 0 H LEU A 101 5.739 -5.524 5.252 1.00 0.00 H new ATOM 0 HA LEU A 101 5.871 -7.197 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.092 -5.061 2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.117 -4.255 3.410 1.00 0.00 H new ATOM 0 HG LEU A 101 8.096 -5.020 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.543 -5.345 -0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.869 -6.639 0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.811 -5.345 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.823 -3.065 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.102 -2.976 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.355 -2.697 2.141 1.00 0.00 H new ATOM 1489 N THR A 102 8.197 -7.880 3.342 1.00 0.00 N ATOM 1490 CA THR A 102 9.595 -8.261 3.497 1.00 0.00 C ATOM 1491 C THR A 102 10.364 -8.066 2.195 1.00 0.00 C ATOM 1492 O THR A 102 9.886 -8.428 1.120 1.00 0.00 O ATOM 1493 CB THR A 102 9.731 -9.728 3.946 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.256 -9.875 5.288 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.179 -10.187 3.862 1.00 0.00 C ATOM 0 H THR A 102 7.592 -8.627 3.002 1.00 0.00 H new ATOM 0 HA THR A 102 10.017 -7.614 4.266 1.00 0.00 H new ATOM 0 HB THR A 102 9.131 -10.347 3.279 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.344 -10.811 5.566 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.251 -11.226 4.184 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.529 -10.101 2.833 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.796 -9.563 4.509 1.00 0.00 H new ATOM 1503 N ILE A 103 11.559 -7.493 2.300 1.00 0.00 N ATOM 1504 CA ILE A 103 12.395 -7.252 1.130 1.00 0.00 C ATOM 1505 C ILE A 103 13.817 -7.754 1.358 1.00 0.00 C ATOM 1506 O ILE A 103 14.409 -7.512 2.409 1.00 0.00 O ATOM 1507 CB ILE A 103 12.443 -5.755 0.771 1.00 0.00 C ATOM 1508 CG1 ILE A 103 11.026 -5.204 0.601 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.256 -5.541 -0.497 1.00 0.00 C ATOM 1510 CD1 ILE A 103 10.935 -3.705 0.781 1.00 0.00 C ATOM 0 H ILE A 103 11.969 -7.187 3.182 1.00 0.00 H new ATOM 0 HA ILE A 103 11.946 -7.802 0.303 1.00 0.00 H new ATOM 0 HB ILE A 103 12.927 -5.216 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.660 -5.465 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.367 -5.689 1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.281 -4.478 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.273 -5.902 -0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.797 -6.089 -1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 103 9.902 -3.384 0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.270 -3.438 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.567 -3.211 0.043 1.00 0.00 H new ATOM 1522 N GLN A 104 14.358 -8.453 0.365 1.00 0.00 N ATOM 1523 CA GLN A 104 15.711 -8.988 0.457 1.00 0.00 C ATOM 1524 C GLN A 104 16.626 -8.336 -0.575 1.00 0.00 C ATOM 1525 O GLN A 104 16.424 -8.488 -1.779 1.00 0.00 O ATOM 1526 CB GLN A 104 15.697 -10.504 0.259 1.00 0.00 C ATOM 1527 CG GLN A 104 14.796 -11.238 1.239 1.00 0.00 C ATOM 1528 CD GLN A 104 15.281 -11.128 2.672 1.00 0.00 C ATOM 1529 OE1 GLN A 104 16.448 -10.826 2.923 1.00 0.00 O ATOM 1530 NE2 GLN A 104 14.385 -11.372 3.620 1.00 0.00 N ATOM 0 H GLN A 104 13.880 -8.662 -0.512 1.00 0.00 H new ATOM 0 HA GLN A 104 16.097 -8.762 1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.371 -10.726 -0.757 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.714 -10.884 0.358 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.785 -10.835 1.169 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.740 -12.290 0.958 1.00 0.00 H new ATOM 0 HE21 GLN A 104 13.428 -11.619 3.366 1.00 0.00 H new ATOM 0 HE22 GLN A 104 14.653 -11.312 4.602 1.00 0.00 H new ATOM 1539 N GLU A 105 17.630 -7.611 -0.094 1.00 0.00 N ATOM 1540 CA GLU A 105 18.575 -6.936 -0.976 1.00 0.00 C ATOM 1541 C GLU A 105 19.103 -7.892 -2.042 1.00 0.00 C ATOM 1542 O GLU A 105 19.543 -8.999 -1.734 1.00 0.00 O ATOM 1543 CB GLU A 105 19.740 -6.361 -0.168 1.00 0.00 C ATOM 1544 CG GLU A 105 20.237 -7.288 0.928 1.00 0.00 C ATOM 1545 CD GLU A 105 21.499 -6.778 1.597 1.00 0.00 C ATOM 1546 OE1 GLU A 105 22.109 -5.827 1.064 1.00 0.00 O ATOM 1547 OE2 GLU A 105 21.875 -7.328 2.653 1.00 0.00 O ATOM 0 H GLU A 105 17.810 -7.476 0.901 1.00 0.00 H new ATOM 0 HA GLU A 105 18.050 -6.120 -1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.565 -6.137 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 105 19.430 -5.417 0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.456 -7.408 1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 105 20.428 -8.274 0.505 1.00 0.00 H new