USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 CYS SG : rot 180:sc= 1.37 USER MOD Set 1.2: A 87 CYS SG : rot -65:sc= -2.09! USER MOD Set 1.3: A 105 CYS SG : rot 146:sc= -0.717 USER MOD Set 1.4: A 108 CYS SG : rot 148:sc= 0.704 USER MOD Set 2.1: A 80 THR OG1 : rot -47:sc= 0.471 USER MOD Set 2.2: A 83 THR OG1 : rot 102:sc= 0.257 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 145:sc= -0.384 (180deg=-2.68!) USER MOD Single : A 20 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.12) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.182 F(o=-1.4,f=-0.18) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 63 GLN : amide:sc= -1.63! C(o=-1.6!,f=-1.5!) USER MOD Single : A 78 SER OG : rot -19:sc= 0.0648 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -160:sc= 0.153 (180deg=-0.0202) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 172:sc= 0.544 (180deg=0.512) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -103:sc= 1.83 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 11.347 8.626 -10.311 1.00 0.00 N ATOM 97 CA ASN A 8 11.956 9.978 -10.425 1.00 0.00 C ATOM 98 C ASN A 8 11.317 10.978 -9.444 1.00 0.00 C ATOM 99 O ASN A 8 11.318 12.190 -9.689 1.00 0.00 O ATOM 100 CB ASN A 8 11.894 10.498 -11.896 1.00 0.00 C ATOM 101 CG ASN A 8 12.658 9.591 -12.865 1.00 0.00 C ATOM 102 OD1 ASN A 8 12.102 8.639 -13.420 1.00 0.00 O ATOM 103 ND2 ASN A 8 13.940 9.865 -13.058 1.00 0.00 N ATOM 0 HA ASN A 8 13.006 9.889 -10.148 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.853 10.567 -12.211 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.308 11.505 -11.941 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.498 9.281 -13.681 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.369 10.660 -12.584 1.00 0.00 H new ATOM 110 N VAL A 9 10.813 10.436 -8.314 1.00 0.00 N ATOM 111 CA VAL A 9 10.153 11.202 -7.239 1.00 0.00 C ATOM 112 C VAL A 9 11.002 12.400 -6.776 1.00 0.00 C ATOM 113 O VAL A 9 10.458 13.472 -6.554 1.00 0.00 O ATOM 114 CB VAL A 9 9.838 10.281 -5.999 1.00 0.00 C ATOM 115 CG1 VAL A 9 9.261 11.073 -4.812 1.00 0.00 C ATOM 116 CG2 VAL A 9 8.890 9.130 -6.372 1.00 0.00 C ATOM 0 H VAL A 9 10.855 9.435 -8.122 1.00 0.00 H new ATOM 0 HA VAL A 9 9.221 11.581 -7.658 1.00 0.00 H new ATOM 0 HB VAL A 9 10.793 9.859 -5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.061 10.393 -3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.979 11.829 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.333 11.558 -5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.697 8.518 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.950 9.539 -6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.350 8.516 -7.147 1.00 0.00 H new ATOM 126 N GLU A 10 12.334 12.193 -6.651 1.00 0.00 N ATOM 127 CA GLU A 10 13.270 13.230 -6.149 1.00 0.00 C ATOM 128 C GLU A 10 13.329 14.450 -7.101 1.00 0.00 C ATOM 129 O GLU A 10 13.429 15.604 -6.647 1.00 0.00 O ATOM 130 CB GLU A 10 14.691 12.637 -5.951 1.00 0.00 C ATOM 131 CG GLU A 10 15.671 13.586 -5.215 1.00 0.00 C ATOM 132 CD GLU A 10 17.132 13.110 -5.233 1.00 0.00 C ATOM 133 OE1 GLU A 10 17.519 12.295 -4.365 1.00 0.00 O ATOM 134 OE2 GLU A 10 17.903 13.548 -6.121 1.00 0.00 O ATOM 0 H GLU A 10 12.788 11.312 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 10 12.893 13.572 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.611 11.707 -5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.108 12.385 -6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.616 14.574 -5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.347 13.694 -4.180 1.00 0.00 H new ATOM 141 N SER A 11 13.264 14.173 -8.418 1.00 0.00 N ATOM 142 CA SER A 11 13.230 15.210 -9.470 1.00 0.00 C ATOM 143 C SER A 11 11.959 16.066 -9.326 1.00 0.00 C ATOM 144 O SER A 11 11.996 17.304 -9.414 1.00 0.00 O ATOM 145 CB SER A 11 13.281 14.546 -10.867 1.00 0.00 C ATOM 146 OG SER A 11 14.381 13.656 -10.964 1.00 0.00 O ATOM 0 H SER A 11 13.233 13.221 -8.784 1.00 0.00 H new ATOM 0 HA SER A 11 14.099 15.859 -9.360 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.353 14.005 -11.051 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.360 15.314 -11.636 1.00 0.00 H new ATOM 0 HG SER A 11 14.393 13.246 -11.854 1.00 0.00 H new ATOM 152 N TYR A 12 10.841 15.368 -9.058 1.00 0.00 N ATOM 153 CA TYR A 12 9.528 15.993 -8.865 1.00 0.00 C ATOM 154 C TYR A 12 9.470 16.732 -7.520 1.00 0.00 C ATOM 155 O TYR A 12 8.861 17.783 -7.431 1.00 0.00 O ATOM 156 CB TYR A 12 8.401 14.940 -8.981 1.00 0.00 C ATOM 157 CG TYR A 12 8.373 14.209 -10.338 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.386 14.923 -11.542 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.315 12.816 -10.415 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.372 14.272 -12.759 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.298 12.166 -11.628 1.00 0.00 C ATOM 162 CZ TYR A 12 8.313 12.897 -12.797 1.00 0.00 C ATOM 163 OH TYR A 12 8.279 12.246 -14.009 1.00 0.00 O ATOM 0 H TYR A 12 10.827 14.352 -8.970 1.00 0.00 H new ATOM 0 HA TYR A 12 9.376 16.730 -9.653 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.519 14.205 -8.185 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.440 15.430 -8.822 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.407 16.003 -11.518 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.283 12.237 -9.504 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.407 14.839 -13.678 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.273 11.087 -11.664 1.00 0.00 H new ATOM 0 HH TYR A 12 8.240 11.278 -13.860 1.00 0.00 H new ATOM 173 N GLU A 13 10.168 16.190 -6.508 1.00 0.00 N ATOM 174 CA GLU A 13 10.175 16.687 -5.126 1.00 0.00 C ATOM 175 C GLU A 13 10.685 18.139 -5.084 1.00 0.00 C ATOM 176 O GLU A 13 10.021 19.047 -4.549 1.00 0.00 O ATOM 177 CB GLU A 13 11.085 15.720 -4.286 1.00 0.00 C ATOM 178 CG GLU A 13 10.832 15.667 -2.769 1.00 0.00 C ATOM 179 CD GLU A 13 11.247 16.933 -2.012 1.00 0.00 C ATOM 180 OE1 GLU A 13 12.440 17.293 -2.077 1.00 0.00 O ATOM 181 OE2 GLU A 13 10.391 17.579 -1.370 1.00 0.00 O ATOM 0 H GLU A 13 10.760 15.369 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 13 9.170 16.699 -4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.968 14.712 -4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.124 16.007 -4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.771 15.487 -2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.372 14.816 -2.353 1.00 0.00 H new ATOM 188 N LYS A 14 11.864 18.344 -5.693 1.00 0.00 N ATOM 189 CA LYS A 14 12.498 19.662 -5.762 1.00 0.00 C ATOM 190 C LYS A 14 11.678 20.623 -6.641 1.00 0.00 C ATOM 191 O LYS A 14 11.390 21.728 -6.199 1.00 0.00 O ATOM 192 CB LYS A 14 13.961 19.565 -6.272 1.00 0.00 C ATOM 193 CG LYS A 14 14.137 18.894 -7.653 1.00 0.00 C ATOM 194 CD LYS A 14 15.530 19.129 -8.302 1.00 0.00 C ATOM 195 CE LYS A 14 15.713 20.538 -8.922 1.00 0.00 C ATOM 196 NZ LYS A 14 15.720 21.641 -7.918 1.00 0.00 N ATOM 0 H LYS A 14 12.398 17.603 -6.147 1.00 0.00 H new ATOM 0 HA LYS A 14 12.526 20.064 -4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.379 20.571 -6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.547 19.010 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.974 17.821 -7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.367 19.268 -8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.301 18.974 -7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.688 18.380 -9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.649 20.561 -9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.911 20.716 -9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.381 22.384 -8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.764 22.042 -7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.020 21.268 -6.995 1.00 0.00 H new ATOM 210 N ILE A 15 11.269 20.185 -7.868 1.00 0.00 N ATOM 211 CA ILE A 15 10.607 21.088 -8.845 1.00 0.00 C ATOM 212 C ILE A 15 9.242 21.576 -8.301 1.00 0.00 C ATOM 213 O ILE A 15 8.816 22.691 -8.594 1.00 0.00 O ATOM 214 CB ILE A 15 10.460 20.428 -10.279 1.00 0.00 C ATOM 215 CG1 ILE A 15 10.118 21.499 -11.373 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.410 19.292 -10.289 1.00 0.00 C ATOM 217 CD1 ILE A 15 10.033 20.963 -12.793 1.00 0.00 C ATOM 0 H ILE A 15 11.386 19.226 -8.196 1.00 0.00 H new ATOM 0 HA ILE A 15 11.254 21.956 -8.973 1.00 0.00 H new ATOM 0 HB ILE A 15 11.428 19.989 -10.521 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.166 21.965 -11.119 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.875 22.283 -11.341 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.342 18.868 -11.291 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.708 18.515 -9.586 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.439 19.692 -9.997 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.792 21.778 -13.476 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.991 20.525 -13.074 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.255 20.201 -12.848 1.00 0.00 H new ATOM 229 N LEU A 16 8.597 20.734 -7.465 1.00 0.00 N ATOM 230 CA LEU A 16 7.373 21.106 -6.729 1.00 0.00 C ATOM 231 C LEU A 16 7.662 22.264 -5.772 1.00 0.00 C ATOM 232 O LEU A 16 6.958 23.278 -5.782 1.00 0.00 O ATOM 233 CB LEU A 16 6.816 19.888 -5.939 1.00 0.00 C ATOM 234 CG LEU A 16 6.058 18.823 -6.778 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.688 17.581 -5.935 1.00 0.00 C ATOM 236 CD2 LEU A 16 4.824 19.443 -7.445 1.00 0.00 C ATOM 0 H LEU A 16 8.910 19.781 -7.283 1.00 0.00 H new ATOM 0 HA LEU A 16 6.621 21.423 -7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.647 19.398 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.144 20.258 -5.165 1.00 0.00 H new ATOM 0 HG LEU A 16 6.730 18.477 -7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.159 16.861 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.596 17.123 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.047 17.882 -5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.305 18.683 -8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.154 19.833 -6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.135 20.255 -8.102 1.00 0.00 H new ATOM 248 N ARG A 17 8.726 22.098 -4.968 1.00 0.00 N ATOM 249 CA ARG A 17 9.150 23.110 -3.987 1.00 0.00 C ATOM 250 C ARG A 17 9.604 24.421 -4.654 1.00 0.00 C ATOM 251 O ARG A 17 9.470 25.490 -4.065 1.00 0.00 O ATOM 252 CB ARG A 17 10.270 22.549 -3.079 1.00 0.00 C ATOM 253 CG ARG A 17 9.806 21.419 -2.134 1.00 0.00 C ATOM 254 CD ARG A 17 10.918 20.933 -1.196 1.00 0.00 C ATOM 255 NE ARG A 17 11.980 20.221 -1.929 1.00 0.00 N ATOM 256 CZ ARG A 17 13.294 20.452 -1.821 1.00 0.00 C ATOM 257 NH1 ARG A 17 13.752 21.472 -1.117 1.00 0.00 N ATOM 258 NH2 ARG A 17 14.147 19.645 -2.427 1.00 0.00 N ATOM 0 H ARG A 17 9.313 21.264 -4.980 1.00 0.00 H new ATOM 0 HA ARG A 17 8.279 23.347 -3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.079 22.175 -3.706 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.681 23.363 -2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.964 21.772 -1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.446 20.579 -2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.348 21.785 -0.670 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.493 20.273 -0.440 1.00 0.00 H new ATOM 0 HE ARG A 17 11.688 19.488 -2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.101 22.099 -0.645 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.757 21.632 -1.046 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.802 18.854 -2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.150 19.813 -2.351 1.00 0.00 H new ATOM 272 N ASP A 18 10.118 24.329 -5.888 1.00 0.00 N ATOM 273 CA ASP A 18 10.649 25.487 -6.633 1.00 0.00 C ATOM 274 C ASP A 18 9.497 26.279 -7.286 1.00 0.00 C ATOM 275 O ASP A 18 9.551 27.518 -7.391 1.00 0.00 O ATOM 276 CB ASP A 18 11.696 25.011 -7.682 1.00 0.00 C ATOM 277 CG ASP A 18 12.883 24.231 -7.074 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.203 24.431 -5.881 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.505 23.406 -7.788 1.00 0.00 O ATOM 0 H ASP A 18 10.179 23.450 -6.402 1.00 0.00 H new ATOM 0 HA ASP A 18 11.155 26.161 -5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.198 24.379 -8.417 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.081 25.880 -8.217 1.00 0.00 H new ATOM 284 N ARG A 19 8.441 25.551 -7.696 1.00 0.00 N ATOM 285 CA ARG A 19 7.194 26.160 -8.195 1.00 0.00 C ATOM 286 C ARG A 19 6.453 26.847 -7.050 1.00 0.00 C ATOM 287 O ARG A 19 5.960 27.955 -7.211 1.00 0.00 O ATOM 288 CB ARG A 19 6.283 25.097 -8.896 1.00 0.00 C ATOM 289 CG ARG A 19 6.457 24.953 -10.425 1.00 0.00 C ATOM 290 CD ARG A 19 7.912 24.713 -10.870 1.00 0.00 C ATOM 291 NE ARG A 19 8.727 25.950 -10.898 1.00 0.00 N ATOM 292 CZ ARG A 19 10.070 25.991 -10.934 1.00 0.00 C ATOM 293 NH1 ARG A 19 10.785 24.873 -10.984 1.00 0.00 N ATOM 294 NH2 ARG A 19 10.694 27.158 -10.902 1.00 0.00 N ATOM 0 H ARG A 19 8.428 24.531 -7.691 1.00 0.00 H new ATOM 0 HA ARG A 19 7.453 26.910 -8.943 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.472 24.127 -8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.242 25.349 -8.692 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.840 24.125 -10.774 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.084 25.855 -10.909 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.377 23.995 -10.195 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.912 24.264 -11.863 1.00 0.00 H new ATOM 0 HE ARG A 19 8.230 26.841 -10.889 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.316 23.968 -10.996 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.804 24.920 -11.011 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.156 28.023 -10.850 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.713 27.192 -10.929 1.00 0.00 H new ATOM 308 N GLN A 20 6.399 26.188 -5.885 1.00 0.00 N ATOM 309 CA GLN A 20 5.719 26.756 -4.705 1.00 0.00 C ATOM 310 C GLN A 20 6.535 27.932 -4.131 1.00 0.00 C ATOM 311 O GLN A 20 5.976 28.772 -3.466 1.00 0.00 O ATOM 312 CB GLN A 20 5.403 25.679 -3.613 1.00 0.00 C ATOM 313 CG GLN A 20 6.523 25.391 -2.595 1.00 0.00 C ATOM 314 CD GLN A 20 6.165 24.344 -1.527 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.038 23.623 -1.044 1.00 0.00 O ATOM 316 NE2 GLN A 20 4.896 24.270 -1.132 1.00 0.00 N ATOM 0 H GLN A 20 6.813 25.269 -5.731 1.00 0.00 H new ATOM 0 HA GLN A 20 4.753 27.136 -5.036 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.516 25.997 -3.065 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.149 24.746 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.408 25.053 -3.134 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.791 26.322 -2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.195 24.881 -1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.625 23.602 -0.410 1.00 0.00 H new ATOM 325 N ARG A 21 7.864 27.978 -4.417 1.00 0.00 N ATOM 326 CA ARG A 21 8.736 29.127 -4.053 1.00 0.00 C ATOM 327 C ARG A 21 8.275 30.404 -4.776 1.00 0.00 C ATOM 328 O ARG A 21 7.917 31.398 -4.127 1.00 0.00 O ATOM 329 CB ARG A 21 10.235 28.834 -4.407 1.00 0.00 C ATOM 330 CG ARG A 21 11.057 28.136 -3.308 1.00 0.00 C ATOM 331 CD ARG A 21 12.481 27.775 -3.782 1.00 0.00 C ATOM 332 NE ARG A 21 13.389 27.521 -2.647 1.00 0.00 N ATOM 333 CZ ARG A 21 14.271 26.518 -2.554 1.00 0.00 C ATOM 334 NH1 ARG A 21 14.286 25.525 -3.440 1.00 0.00 N ATOM 335 NH2 ARG A 21 15.112 26.484 -1.540 1.00 0.00 N ATOM 0 H ARG A 21 8.357 27.228 -4.901 1.00 0.00 H new ATOM 0 HA ARG A 21 8.656 29.275 -2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.263 28.215 -5.304 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.722 29.777 -4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.121 28.787 -2.436 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.541 27.229 -2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.439 26.891 -4.419 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.878 28.587 -4.390 1.00 0.00 H new ATOM 0 HE ARG A 21 13.340 28.169 -1.861 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.616 25.518 -4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.967 24.771 -3.350 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.088 27.219 -0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.787 25.723 -1.462 1.00 0.00 H new ATOM 349 N GLU A 22 8.288 30.349 -6.132 1.00 0.00 N ATOM 350 CA GLU A 22 7.915 31.501 -6.983 1.00 0.00 C ATOM 351 C GLU A 22 6.455 31.926 -6.722 1.00 0.00 C ATOM 352 O GLU A 22 6.142 33.120 -6.741 1.00 0.00 O ATOM 353 CB GLU A 22 8.160 31.187 -8.491 1.00 0.00 C ATOM 354 CG GLU A 22 7.400 29.965 -9.044 1.00 0.00 C ATOM 355 CD GLU A 22 7.561 29.769 -10.558 1.00 0.00 C ATOM 356 OE1 GLU A 22 8.503 29.067 -10.990 1.00 0.00 O ATOM 357 OE2 GLU A 22 6.745 30.319 -11.329 1.00 0.00 O ATOM 0 H GLU A 22 8.554 29.516 -6.657 1.00 0.00 H new ATOM 0 HA GLU A 22 8.556 32.341 -6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.881 32.063 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.228 31.029 -8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.750 29.069 -8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.340 30.072 -8.811 1.00 0.00 H new ATOM 364 N LEU A 23 5.585 30.934 -6.426 1.00 0.00 N ATOM 365 CA LEU A 23 4.179 31.181 -6.074 1.00 0.00 C ATOM 366 C LEU A 23 4.058 31.864 -4.707 1.00 0.00 C ATOM 367 O LEU A 23 3.410 32.892 -4.611 1.00 0.00 O ATOM 368 CB LEU A 23 3.345 29.876 -6.075 1.00 0.00 C ATOM 369 CG LEU A 23 3.104 29.193 -7.451 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.313 27.880 -7.281 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.410 30.152 -8.445 1.00 0.00 C ATOM 0 H LEU A 23 5.841 29.947 -6.426 1.00 0.00 H new ATOM 0 HA LEU A 23 3.780 31.846 -6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.840 29.157 -5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.374 30.094 -5.630 1.00 0.00 H new ATOM 0 HG LEU A 23 4.076 28.942 -7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.157 27.420 -8.257 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.875 27.197 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.348 28.094 -6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.257 29.642 -9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.446 30.461 -8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.037 31.030 -8.601 1.00 0.00 H new ATOM 383 N TYR A 24 4.708 31.284 -3.666 1.00 0.00 N ATOM 384 CA TYR A 24 4.568 31.737 -2.250 1.00 0.00 C ATOM 385 C TYR A 24 4.918 33.225 -2.100 1.00 0.00 C ATOM 386 O TYR A 24 4.243 33.939 -1.376 1.00 0.00 O ATOM 387 CB TYR A 24 5.421 30.856 -1.253 1.00 0.00 C ATOM 388 CG TYR A 24 4.626 29.766 -0.485 1.00 0.00 C ATOM 389 CD1 TYR A 24 3.620 30.122 0.416 1.00 0.00 C ATOM 390 CD2 TYR A 24 4.881 28.400 -0.650 1.00 0.00 C ATOM 391 CE1 TYR A 24 2.906 29.169 1.120 1.00 0.00 C ATOM 392 CE2 TYR A 24 4.168 27.442 0.050 1.00 0.00 C ATOM 393 CZ TYR A 24 3.181 27.830 0.929 1.00 0.00 C ATOM 394 OH TYR A 24 2.467 26.880 1.627 1.00 0.00 O ATOM 0 H TYR A 24 5.342 30.493 -3.779 1.00 0.00 H new ATOM 0 HA TYR A 24 3.520 31.606 -1.983 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.220 30.372 -1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.896 31.515 -0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.394 31.167 0.567 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.651 28.086 -1.339 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.137 29.471 1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.385 26.394 -0.093 1.00 0.00 H new ATOM 0 HH TYR A 24 2.782 25.986 1.378 1.00 0.00 H new ATOM 404 N ARG A 25 5.959 33.684 -2.811 1.00 0.00 N ATOM 405 CA ARG A 25 6.373 35.104 -2.785 1.00 0.00 C ATOM 406 C ARG A 25 5.445 35.975 -3.671 1.00 0.00 C ATOM 407 O ARG A 25 5.184 37.138 -3.338 1.00 0.00 O ATOM 408 CB ARG A 25 7.855 35.258 -3.208 1.00 0.00 C ATOM 409 CG ARG A 25 8.171 34.851 -4.660 1.00 0.00 C ATOM 410 CD ARG A 25 9.637 35.101 -5.041 1.00 0.00 C ATOM 411 NE ARG A 25 9.899 34.792 -6.453 1.00 0.00 N ATOM 412 CZ ARG A 25 11.017 34.224 -6.932 1.00 0.00 C ATOM 413 NH1 ARG A 25 11.989 33.833 -6.117 1.00 0.00 N ATOM 414 NH2 ARG A 25 11.160 34.039 -8.232 1.00 0.00 N ATOM 0 H ARG A 25 6.534 33.095 -3.414 1.00 0.00 H new ATOM 0 HA ARG A 25 6.279 35.460 -1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.150 36.298 -3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.471 34.659 -2.538 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.940 33.794 -4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.524 35.408 -5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.890 36.143 -4.845 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.284 34.492 -4.410 1.00 0.00 H new ATOM 0 HE ARG A 25 9.170 35.029 -7.126 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.893 33.962 -5.110 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.832 33.403 -6.498 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.421 34.328 -8.873 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.010 33.607 -8.595 1.00 0.00 H new ATOM 428 N ARG A 26 4.939 35.389 -4.788 1.00 0.00 N ATOM 429 CA ARG A 26 3.993 36.063 -5.709 1.00 0.00 C ATOM 430 C ARG A 26 2.642 36.356 -5.014 1.00 0.00 C ATOM 431 O ARG A 26 2.076 37.439 -5.181 1.00 0.00 O ATOM 432 CB ARG A 26 3.771 35.186 -6.983 1.00 0.00 C ATOM 433 CG ARG A 26 2.702 35.715 -7.971 1.00 0.00 C ATOM 434 CD ARG A 26 2.523 34.822 -9.215 1.00 0.00 C ATOM 435 NE ARG A 26 3.724 34.811 -10.076 1.00 0.00 N ATOM 436 CZ ARG A 26 3.732 34.556 -11.401 1.00 0.00 C ATOM 437 NH1 ARG A 26 2.611 34.299 -12.061 1.00 0.00 N ATOM 438 NH2 ARG A 26 4.871 34.585 -12.063 1.00 0.00 N ATOM 0 H ARG A 26 5.176 34.439 -5.072 1.00 0.00 H new ATOM 0 HA ARG A 26 4.429 37.018 -6.004 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.719 35.097 -7.513 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.486 34.182 -6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.747 35.798 -7.452 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.979 36.720 -8.291 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.296 33.804 -8.899 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.668 35.174 -9.792 1.00 0.00 H new ATOM 0 HE ARG A 26 4.620 35.013 -9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.719 34.291 -11.567 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.641 34.109 -13.063 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.740 34.799 -11.574 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.884 34.393 -13.065 1.00 0.00 H new ATOM 452 N LEU A 27 2.141 35.390 -4.214 1.00 0.00 N ATOM 453 CA LEU A 27 0.790 35.468 -3.611 1.00 0.00 C ATOM 454 C LEU A 27 0.846 36.069 -2.201 1.00 0.00 C ATOM 455 O LEU A 27 -0.100 36.738 -1.780 1.00 0.00 O ATOM 456 CB LEU A 27 0.063 34.085 -3.685 1.00 0.00 C ATOM 457 CG LEU A 27 0.748 32.835 -3.019 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.384 32.664 -1.538 1.00 0.00 C ATOM 459 CD2 LEU A 27 0.440 31.544 -3.803 1.00 0.00 C ATOM 0 H LEU A 27 2.654 34.543 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 27 0.180 36.155 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.921 34.204 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.098 33.852 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 27 1.821 33.025 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.889 31.784 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.699 33.547 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.694 32.539 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.927 30.698 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.637 31.379 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.812 31.640 -4.823 1.00 0.00 H new ATOM 471 N HIS A 28 1.989 35.885 -1.493 1.00 0.00 N ATOM 472 CA HIS A 28 2.283 36.632 -0.237 1.00 0.00 C ATOM 473 C HIS A 28 3.062 37.921 -0.566 1.00 0.00 C ATOM 474 O HIS A 28 3.888 38.369 0.216 1.00 0.00 O ATOM 475 CB HIS A 28 3.056 35.772 0.801 1.00 0.00 C ATOM 476 CG HIS A 28 2.282 34.603 1.337 1.00 0.00 C ATOM 477 ND1 HIS A 28 2.389 33.280 1.106 1.00 0.00 N flip ATOM 478 CD2 HIS A 28 1.238 34.740 2.219 1.00 0.00 C flip ATOM 479 CE1 HIS A 28 1.417 32.653 1.840 1.00 0.00 C flip ATOM 480 NE2 HIS A 28 0.739 33.562 2.507 1.00 0.00 N flip ATOM 0 H HIS A 28 2.721 35.229 -1.767 1.00 0.00 H new ATOM 0 HA HIS A 28 1.329 36.891 0.222 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.973 35.405 0.340 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.352 36.409 1.634 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.881 35.679 2.616 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.237 31.588 1.867 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -0.041 33.382 3.139 1.00 0.00 H new ATOM 932 N LEU A 58 -4.201 36.372 -1.426 1.00 0.00 N ATOM 933 CA LEU A 58 -3.330 35.512 -2.226 1.00 0.00 C ATOM 934 C LEU A 58 -4.021 35.211 -3.577 1.00 0.00 C ATOM 935 O LEU A 58 -5.252 35.139 -3.625 1.00 0.00 O ATOM 936 CB LEU A 58 -3.055 34.203 -1.423 1.00 0.00 C ATOM 937 CG LEU A 58 -2.876 34.337 0.135 1.00 0.00 C ATOM 938 CD1 LEU A 58 -2.681 32.953 0.797 1.00 0.00 C ATOM 939 CD2 LEU A 58 -1.729 35.302 0.513 1.00 0.00 C ATOM 0 HA LEU A 58 -2.378 36.002 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.878 33.513 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.154 33.742 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.797 34.772 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.560 33.078 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.553 32.329 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.792 32.475 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.646 35.361 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.792 34.934 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.940 36.293 0.111 1.00 0.00 H new ATOM 951 N GLY A 59 -3.230 35.055 -4.657 1.00 0.00 N ATOM 952 CA GLY A 59 -3.764 34.765 -6.003 1.00 0.00 C ATOM 953 C GLY A 59 -4.464 33.408 -6.096 1.00 0.00 C ATOM 954 O GLY A 59 -4.024 32.453 -5.459 1.00 0.00 O ATOM 0 H GLY A 59 -2.213 35.126 -4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.467 35.549 -6.284 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.948 34.795 -6.725 1.00 0.00 H new ATOM 958 N GLN A 60 -5.539 33.330 -6.915 1.00 0.00 N ATOM 959 CA GLN A 60 -6.396 32.132 -7.031 1.00 0.00 C ATOM 960 C GLN A 60 -5.618 30.926 -7.599 1.00 0.00 C ATOM 961 O GLN A 60 -5.490 29.899 -6.930 1.00 0.00 O ATOM 962 CB GLN A 60 -7.644 32.435 -7.903 1.00 0.00 C ATOM 963 CG GLN A 60 -8.625 31.250 -8.023 1.00 0.00 C ATOM 964 CD GLN A 60 -9.826 31.530 -8.932 1.00 0.00 C ATOM 965 OE1 GLN A 60 -10.290 32.665 -9.039 1.00 0.00 O ATOM 966 NE2 GLN A 60 -10.334 30.502 -9.595 1.00 0.00 N ATOM 0 H GLN A 60 -5.835 34.100 -7.515 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.726 31.867 -6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.172 33.290 -7.480 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -7.316 32.725 -8.901 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.087 30.382 -8.405 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.987 30.988 -7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.927 29.573 -9.485 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.132 30.639 -10.215 1.00 0.00 H new ATOM 975 N VAL A 61 -5.092 31.086 -8.834 1.00 0.00 N ATOM 976 CA VAL A 61 -4.261 30.063 -9.519 1.00 0.00 C ATOM 977 C VAL A 61 -3.013 29.739 -8.675 1.00 0.00 C ATOM 978 O VAL A 61 -2.554 28.597 -8.660 1.00 0.00 O ATOM 979 CB VAL A 61 -3.838 30.545 -10.970 1.00 0.00 C ATOM 980 CG1 VAL A 61 -3.035 29.460 -11.733 1.00 0.00 C ATOM 981 CG2 VAL A 61 -5.079 30.984 -11.788 1.00 0.00 C ATOM 0 H VAL A 61 -5.231 31.931 -9.388 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.859 29.158 -9.628 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.181 31.406 -10.844 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.767 29.834 -12.721 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.129 29.220 -11.177 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.645 28.562 -11.838 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.765 31.310 -12.779 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.767 30.144 -11.884 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.579 31.807 -11.277 1.00 0.00 H new ATOM 991 N GLY A 62 -2.516 30.765 -7.946 1.00 0.00 N ATOM 992 CA GLY A 62 -1.410 30.606 -7.008 1.00 0.00 C ATOM 993 C GLY A 62 -1.719 29.598 -5.899 1.00 0.00 C ATOM 994 O GLY A 62 -0.957 28.663 -5.707 1.00 0.00 O ATOM 0 H GLY A 62 -2.877 31.717 -8.000 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.522 30.282 -7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.176 31.572 -6.561 1.00 0.00 H new ATOM 998 N GLN A 63 -2.876 29.779 -5.215 1.00 0.00 N ATOM 999 CA GLN A 63 -3.289 28.960 -4.040 1.00 0.00 C ATOM 1000 C GLN A 63 -3.710 27.541 -4.438 1.00 0.00 C ATOM 1001 O GLN A 63 -3.481 26.591 -3.692 1.00 0.00 O ATOM 1002 CB GLN A 63 -4.475 29.625 -3.298 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.141 30.944 -2.596 1.00 0.00 C ATOM 1004 CD GLN A 63 -5.350 31.549 -1.879 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -6.093 32.337 -2.457 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -5.542 31.194 -0.612 1.00 0.00 N ATOM 0 H GLN A 63 -3.554 30.500 -5.461 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.416 28.899 -3.390 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.277 29.805 -4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.860 28.924 -2.557 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.342 30.775 -1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.763 31.657 -3.329 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.904 30.536 -0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.328 31.579 -0.088 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.364 27.433 -5.591 1.00 0.00 N ATOM 1016 CA ASP A 64 -4.910 26.157 -6.101 1.00 0.00 C ATOM 1017 C ASP A 64 -3.779 25.255 -6.599 1.00 0.00 C ATOM 1018 O ASP A 64 -3.801 24.031 -6.392 1.00 0.00 O ATOM 1019 CB ASP A 64 -5.958 26.423 -7.222 1.00 0.00 C ATOM 1020 CG ASP A 64 -7.290 27.004 -6.699 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -7.276 27.894 -5.826 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -8.367 26.582 -7.172 1.00 0.00 O ATOM 0 H ASP A 64 -4.536 28.226 -6.209 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.417 25.640 -5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.531 27.113 -7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.160 25.490 -7.748 1.00 0.00 H new ATOM 1027 N GLU A 65 -2.780 25.881 -7.248 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.559 25.191 -7.683 1.00 0.00 C ATOM 1029 C GLU A 65 -0.698 24.845 -6.459 1.00 0.00 C ATOM 1030 O GLU A 65 -0.100 23.773 -6.406 1.00 0.00 O ATOM 1031 CB GLU A 65 -0.766 26.060 -8.687 1.00 0.00 C ATOM 1032 CG GLU A 65 0.364 25.304 -9.407 1.00 0.00 C ATOM 1033 CD GLU A 65 1.067 26.112 -10.512 1.00 0.00 C ATOM 1034 OE1 GLU A 65 0.401 26.448 -11.516 1.00 0.00 O ATOM 1035 OE2 GLU A 65 2.279 26.408 -10.396 1.00 0.00 O ATOM 0 H GLU A 65 -2.799 26.873 -7.483 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.836 24.267 -8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.455 26.459 -9.431 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.340 26.913 -8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.106 24.997 -8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.046 24.394 -9.844 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.693 25.768 -5.473 1.00 0.00 N ATOM 1043 CA LEU A 66 0.018 25.616 -4.181 1.00 0.00 C ATOM 1044 C LEU A 66 -0.496 24.363 -3.455 1.00 0.00 C ATOM 1045 O LEU A 66 0.282 23.546 -2.982 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.215 26.888 -3.293 1.00 0.00 C ATOM 1047 CG LEU A 66 0.977 27.415 -2.437 1.00 0.00 C ATOM 1048 CD1 LEU A 66 2.175 27.802 -3.323 1.00 0.00 C ATOM 1049 CD2 LEU A 66 0.519 28.614 -1.569 1.00 0.00 C ATOM 0 H LEU A 66 -1.191 26.655 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 66 1.087 25.507 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.538 27.697 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.043 26.675 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 66 1.306 26.612 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.989 28.165 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.510 26.929 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.875 28.586 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.359 28.975 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.161 29.415 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.285 28.296 -0.905 1.00 0.00 H new ATOM 1061 N ARG A 67 -1.841 24.228 -3.433 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.560 23.128 -2.759 1.00 0.00 C ATOM 1063 C ARG A 67 -2.236 21.787 -3.426 1.00 0.00 C ATOM 1064 O ARG A 67 -2.080 20.769 -2.750 1.00 0.00 O ATOM 1065 CB ARG A 67 -4.092 23.397 -2.795 1.00 0.00 C ATOM 1066 CG ARG A 67 -4.955 22.392 -1.990 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.460 22.684 -2.124 1.00 0.00 C ATOM 1068 NE ARG A 67 -7.283 21.835 -1.241 1.00 0.00 N ATOM 1069 CZ ARG A 67 -8.484 22.187 -0.740 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -9.015 23.378 -1.012 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -9.147 21.344 0.037 1.00 0.00 N ATOM 0 H ARG A 67 -2.466 24.892 -3.891 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.235 23.080 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.278 24.400 -2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.423 23.386 -3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.750 21.379 -2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.671 22.432 -0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.645 23.732 -1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.766 22.530 -3.159 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.917 20.916 -0.992 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.512 24.037 -1.606 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.925 23.631 -0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.749 20.431 0.255 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.056 21.608 0.417 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.137 21.825 -4.768 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.772 20.666 -5.595 1.00 0.00 C ATOM 1087 C ALA A 68 -0.315 20.237 -5.329 1.00 0.00 C ATOM 1088 O ALA A 68 -0.010 19.041 -5.331 1.00 0.00 O ATOM 1089 CB ALA A 68 -1.984 21.003 -7.081 1.00 0.00 C ATOM 0 H ALA A 68 -2.310 22.671 -5.311 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.415 19.827 -5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.713 20.142 -7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.031 21.253 -7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.359 21.853 -7.354 1.00 0.00 H new ATOM 1095 N ILE A 69 0.570 21.238 -5.099 1.00 0.00 N ATOM 1096 CA ILE A 69 1.997 21.013 -4.797 1.00 0.00 C ATOM 1097 C ILE A 69 2.169 20.392 -3.402 1.00 0.00 C ATOM 1098 O ILE A 69 2.856 19.388 -3.264 1.00 0.00 O ATOM 1099 CB ILE A 69 2.827 22.358 -4.904 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.884 22.863 -6.384 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.254 22.199 -4.320 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.499 24.234 -6.579 1.00 0.00 C ATOM 0 H ILE A 69 0.309 22.224 -5.119 1.00 0.00 H new ATOM 0 HA ILE A 69 2.384 20.315 -5.540 1.00 0.00 H new ATOM 0 HB ILE A 69 2.310 23.108 -4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.450 22.142 -6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.870 22.878 -6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.792 23.143 -4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.188 21.920 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.787 21.423 -4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.490 24.489 -7.639 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.923 24.974 -6.023 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.527 24.227 -6.216 1.00 0.00 H new ATOM 1114 N ASP A 70 1.518 20.999 -2.386 1.00 0.00 N ATOM 1115 CA ASP A 70 1.612 20.565 -0.971 1.00 0.00 C ATOM 1116 C ASP A 70 1.007 19.168 -0.779 1.00 0.00 C ATOM 1117 O ASP A 70 1.509 18.377 0.023 1.00 0.00 O ATOM 1118 CB ASP A 70 0.908 21.584 -0.027 1.00 0.00 C ATOM 1119 CG ASP A 70 1.619 22.951 0.048 1.00 0.00 C ATOM 1120 OD1 ASP A 70 2.793 22.993 0.477 1.00 0.00 O ATOM 1121 OD2 ASP A 70 0.997 23.987 -0.267 1.00 0.00 O ATOM 0 H ASP A 70 0.910 21.807 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 70 2.670 20.522 -0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.116 21.735 -0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.851 21.158 0.975 1.00 0.00 H new ATOM 1126 N ALA A 71 -0.075 18.880 -1.534 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.716 17.555 -1.556 1.00 0.00 C ATOM 1128 C ALA A 71 0.249 16.516 -2.142 1.00 0.00 C ATOM 1129 O ALA A 71 0.430 15.442 -1.567 1.00 0.00 O ATOM 1130 CB ALA A 71 -2.032 17.592 -2.356 1.00 0.00 C ATOM 0 H ALA A 71 -0.526 19.562 -2.144 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.959 17.270 -0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.485 16.601 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.717 18.304 -1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.826 17.897 -3.382 1.00 0.00 H new ATOM 1136 N ALA A 72 0.899 16.890 -3.266 1.00 0.00 N ATOM 1137 CA ALA A 72 1.866 16.035 -3.984 1.00 0.00 C ATOM 1138 C ALA A 72 3.147 15.796 -3.151 1.00 0.00 C ATOM 1139 O ALA A 72 3.714 14.706 -3.182 1.00 0.00 O ATOM 1140 CB ALA A 72 2.200 16.649 -5.353 1.00 0.00 C ATOM 0 H ALA A 72 0.765 17.802 -3.703 1.00 0.00 H new ATOM 0 HA ALA A 72 1.404 15.061 -4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.914 16.011 -5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.289 16.734 -5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.634 17.639 -5.212 1.00 0.00 H new ATOM 1146 N LEU A 73 3.559 16.823 -2.379 1.00 0.00 N ATOM 1147 CA LEU A 73 4.729 16.755 -1.467 1.00 0.00 C ATOM 1148 C LEU A 73 4.413 15.893 -0.238 1.00 0.00 C ATOM 1149 O LEU A 73 5.299 15.243 0.318 1.00 0.00 O ATOM 1150 CB LEU A 73 5.166 18.182 -1.020 1.00 0.00 C ATOM 1151 CG LEU A 73 5.881 19.050 -2.103 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.133 20.484 -1.594 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.200 18.384 -2.571 1.00 0.00 C ATOM 0 H LEU A 73 3.090 17.729 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 73 5.552 16.294 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.282 18.720 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.832 18.084 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 73 5.217 19.117 -2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.632 21.063 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.182 20.954 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.764 20.449 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.676 19.011 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.871 18.267 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.982 17.405 -2.998 1.00 0.00 H new ATOM 1165 N ALA A 74 3.134 15.924 0.180 1.00 0.00 N ATOM 1166 CA ALA A 74 2.604 15.080 1.265 1.00 0.00 C ATOM 1167 C ALA A 74 2.498 13.615 0.814 1.00 0.00 C ATOM 1168 O ALA A 74 2.583 12.695 1.640 1.00 0.00 O ATOM 1169 CB ALA A 74 1.241 15.607 1.736 1.00 0.00 C ATOM 0 H ALA A 74 2.434 16.542 -0.230 1.00 0.00 H new ATOM 0 HA ALA A 74 3.297 15.123 2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.863 14.973 2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.352 16.627 2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.539 15.596 0.902 1.00 0.00 H new ATOM 1175 N ARG A 75 2.318 13.407 -0.511 1.00 0.00 N ATOM 1176 CA ARG A 75 2.351 12.067 -1.114 1.00 0.00 C ATOM 1177 C ARG A 75 3.782 11.520 -1.057 1.00 0.00 C ATOM 1178 O ARG A 75 3.978 10.358 -0.744 1.00 0.00 O ATOM 1179 CB ARG A 75 1.851 12.046 -2.590 1.00 0.00 C ATOM 1180 CG ARG A 75 0.437 12.591 -2.889 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.688 11.969 -2.035 1.00 0.00 C ATOM 1182 NE ARG A 75 -0.693 12.480 -0.646 1.00 0.00 N ATOM 1183 CZ ARG A 75 -1.241 11.862 0.416 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -1.884 10.704 0.290 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -1.141 12.414 1.613 1.00 0.00 N ATOM 0 H ARG A 75 2.148 14.158 -1.180 1.00 0.00 H new ATOM 0 HA ARG A 75 1.670 11.442 -0.537 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.561 12.615 -3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.891 11.015 -2.941 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.438 13.670 -2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.212 12.421 -3.942 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.651 12.179 -2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.571 10.885 -2.020 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.242 13.379 -0.479 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.970 10.265 -0.627 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.291 10.255 1.110 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.651 13.302 1.726 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.554 11.952 2.424 1.00 0.00 H new ATOM 1199 N ILE A 76 4.770 12.385 -1.364 1.00 0.00 N ATOM 1200 CA ILE A 76 6.208 12.027 -1.312 1.00 0.00 C ATOM 1201 C ILE A 76 6.630 11.711 0.136 1.00 0.00 C ATOM 1202 O ILE A 76 7.348 10.748 0.382 1.00 0.00 O ATOM 1203 CB ILE A 76 7.112 13.179 -1.892 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.678 13.518 -3.353 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.613 12.786 -1.832 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.358 14.710 -3.986 1.00 0.00 C ATOM 0 H ILE A 76 4.598 13.348 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 76 6.349 11.141 -1.931 1.00 0.00 H new ATOM 0 HB ILE A 76 6.979 14.070 -1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.864 12.645 -3.978 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.602 13.692 -3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.218 13.597 -2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.900 12.602 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.776 11.882 -2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.979 14.850 -4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.153 15.602 -3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.434 14.538 -4.022 1.00 0.00 H new ATOM 1218 N ALA A 77 6.127 12.528 1.075 1.00 0.00 N ATOM 1219 CA ALA A 77 6.382 12.380 2.521 1.00 0.00 C ATOM 1220 C ALA A 77 5.900 11.006 3.038 1.00 0.00 C ATOM 1221 O ALA A 77 6.561 10.363 3.863 1.00 0.00 O ATOM 1222 CB ALA A 77 5.686 13.524 3.276 1.00 0.00 C ATOM 0 H ALA A 77 5.524 13.320 0.851 1.00 0.00 H new ATOM 0 HA ALA A 77 7.456 12.431 2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.871 13.420 4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.080 14.480 2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.613 13.484 3.088 1.00 0.00 H new ATOM 1228 N SER A 78 4.744 10.571 2.505 1.00 0.00 N ATOM 1229 CA SER A 78 4.122 9.274 2.827 1.00 0.00 C ATOM 1230 C SER A 78 4.672 8.146 1.916 1.00 0.00 C ATOM 1231 O SER A 78 4.468 6.965 2.205 1.00 0.00 O ATOM 1232 CB SER A 78 2.587 9.411 2.672 1.00 0.00 C ATOM 1233 OG SER A 78 1.890 8.219 3.023 1.00 0.00 O ATOM 0 H SER A 78 4.209 11.117 1.830 1.00 0.00 H new ATOM 0 HA SER A 78 4.365 9.001 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.235 10.231 3.298 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.352 9.674 1.641 1.00 0.00 H new ATOM 0 HG SER A 78 2.509 7.460 3.001 1.00 0.00 H new ATOM 1239 N GLY A 79 5.368 8.528 0.826 1.00 0.00 N ATOM 1240 CA GLY A 79 5.896 7.578 -0.166 1.00 0.00 C ATOM 1241 C GLY A 79 4.835 7.071 -1.150 1.00 0.00 C ATOM 1242 O GLY A 79 5.105 6.170 -1.949 1.00 0.00 O ATOM 0 H GLY A 79 5.578 9.503 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.700 8.057 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.334 6.727 0.355 1.00 0.00 H new ATOM 1246 N THR A 80 3.630 7.672 -1.095 1.00 0.00 N ATOM 1247 CA THR A 80 2.466 7.307 -1.936 1.00 0.00 C ATOM 1248 C THR A 80 2.314 8.317 -3.100 1.00 0.00 C ATOM 1249 O THR A 80 1.223 8.512 -3.653 1.00 0.00 O ATOM 1250 CB THR A 80 1.157 7.225 -1.059 1.00 0.00 C ATOM 1251 OG1 THR A 80 0.058 6.728 -1.836 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.765 8.582 -0.443 1.00 0.00 C ATOM 0 H THR A 80 3.432 8.440 -0.453 1.00 0.00 H new ATOM 0 HA THR A 80 2.632 6.321 -2.369 1.00 0.00 H new ATOM 0 HB THR A 80 1.380 6.539 -0.242 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.024 7.200 -2.694 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.142 8.464 0.149 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.572 8.938 0.197 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.587 9.305 -1.239 1.00 0.00 H new ATOM 1260 N PHE A 81 3.436 8.969 -3.471 1.00 0.00 N ATOM 1261 CA PHE A 81 3.521 9.803 -4.679 1.00 0.00 C ATOM 1262 C PHE A 81 3.269 8.953 -5.934 1.00 0.00 C ATOM 1263 O PHE A 81 3.490 7.734 -5.927 1.00 0.00 O ATOM 1264 CB PHE A 81 4.893 10.520 -4.750 1.00 0.00 C ATOM 1265 CG PHE A 81 4.997 11.556 -5.883 1.00 0.00 C ATOM 1266 CD1 PHE A 81 4.247 12.738 -5.830 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.797 11.336 -7.003 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.316 13.672 -6.846 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.859 12.267 -8.018 1.00 0.00 C ATOM 1270 CZ PHE A 81 5.115 13.432 -7.943 1.00 0.00 C ATOM 0 H PHE A 81 4.305 8.929 -2.939 1.00 0.00 H new ATOM 0 HA PHE A 81 2.748 10.570 -4.631 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.082 11.017 -3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.676 9.773 -4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.605 12.922 -4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.375 10.426 -7.077 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.746 14.587 -6.781 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.491 12.087 -8.875 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.161 14.154 -8.745 1.00 0.00 H new ATOM 1280 N GLY A 82 2.765 9.612 -6.991 1.00 0.00 N ATOM 1281 CA GLY A 82 2.409 8.939 -8.233 1.00 0.00 C ATOM 1282 C GLY A 82 1.179 8.059 -8.085 1.00 0.00 C ATOM 1283 O GLY A 82 0.964 7.166 -8.885 1.00 0.00 O ATOM 0 H GLY A 82 2.597 10.618 -7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.228 9.684 -9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.249 8.330 -8.567 1.00 0.00 H new ATOM 1287 N THR A 83 0.354 8.333 -7.064 1.00 0.00 N ATOM 1288 CA THR A 83 -0.895 7.599 -6.811 1.00 0.00 C ATOM 1289 C THR A 83 -2.094 8.564 -6.910 1.00 0.00 C ATOM 1290 O THR A 83 -2.217 9.507 -6.113 1.00 0.00 O ATOM 1291 CB THR A 83 -0.875 6.918 -5.392 1.00 0.00 C ATOM 1292 OG1 THR A 83 0.315 6.119 -5.257 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.115 6.037 -5.137 1.00 0.00 C ATOM 0 H THR A 83 0.535 9.074 -6.387 1.00 0.00 H new ATOM 0 HA THR A 83 -0.991 6.816 -7.563 1.00 0.00 H new ATOM 0 HB THR A 83 -0.886 7.718 -4.651 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.976 6.604 -4.720 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.048 5.593 -4.144 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.015 6.648 -5.201 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.160 5.246 -5.886 1.00 0.00 H new ATOM 1301 N CYS A 84 -2.945 8.341 -7.927 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.226 9.038 -8.076 1.00 0.00 C ATOM 1303 C CYS A 84 -5.217 8.513 -7.037 1.00 0.00 C ATOM 1304 O CYS A 84 -5.935 7.536 -7.287 1.00 0.00 O ATOM 1305 CB CYS A 84 -4.794 8.851 -9.490 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.364 9.708 -9.786 1.00 0.00 S ATOM 0 H CYS A 84 -2.758 7.668 -8.670 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.062 10.104 -7.918 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.059 9.205 -10.213 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -4.935 7.786 -9.674 1.00 0.00 H new ATOM 0 HG CYS A 84 -6.752 9.493 -11.008 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.217 9.168 -5.868 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.044 8.793 -4.699 1.00 0.00 C ATOM 1313 C VAL A 85 -7.561 8.854 -4.995 1.00 0.00 C ATOM 1314 O VAL A 85 -8.350 8.166 -4.339 1.00 0.00 O ATOM 1315 CB VAL A 85 -5.685 9.703 -3.461 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -4.224 9.456 -2.992 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -5.923 11.204 -3.784 1.00 0.00 C ATOM 0 H VAL A 85 -4.634 9.988 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.812 7.754 -4.464 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.349 9.429 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.003 10.096 -2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.106 8.412 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.537 9.687 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.668 11.808 -2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.297 11.499 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.971 11.360 -4.039 1.00 0.00 H new ATOM 1327 N LYS A 86 -7.946 9.653 -6.013 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.358 9.834 -6.414 1.00 0.00 C ATOM 1329 C LYS A 86 -9.973 8.514 -6.950 1.00 0.00 C ATOM 1330 O LYS A 86 -11.189 8.309 -6.857 1.00 0.00 O ATOM 1331 CB LYS A 86 -9.476 10.958 -7.485 1.00 0.00 C ATOM 1332 CG LYS A 86 -10.916 11.505 -7.691 1.00 0.00 C ATOM 1333 CD LYS A 86 -11.000 12.613 -8.777 1.00 0.00 C ATOM 1334 CE LYS A 86 -12.352 13.348 -8.792 1.00 0.00 C ATOM 1335 NZ LYS A 86 -13.499 12.440 -9.032 1.00 0.00 N ATOM 0 H LYS A 86 -7.289 10.190 -6.579 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.920 10.126 -5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.825 11.784 -7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.107 10.576 -8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.574 10.682 -7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.285 11.903 -6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.202 13.337 -8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.826 12.167 -9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.493 13.859 -7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.334 14.115 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.382 12.989 -9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.383 11.971 -9.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.537 11.722 -8.280 1.00 0.00 H new ATOM 1349 N CYS A 87 -9.124 7.621 -7.506 1.00 0.00 N ATOM 1350 CA CYS A 87 -9.588 6.327 -8.071 1.00 0.00 C ATOM 1351 C CYS A 87 -8.674 5.157 -7.662 1.00 0.00 C ATOM 1352 O CYS A 87 -8.898 4.029 -8.103 1.00 0.00 O ATOM 1353 CB CYS A 87 -9.678 6.426 -9.609 1.00 0.00 C ATOM 1354 SG CYS A 87 -8.081 6.660 -10.444 1.00 0.00 S ATOM 0 H CYS A 87 -8.117 7.769 -7.577 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.577 6.123 -7.662 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -10.144 5.518 -9.992 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -10.335 7.256 -9.869 1.00 0.00 H new ATOM 0 HG CYS A 87 -7.580 7.812 -10.108 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.665 5.428 -6.809 1.00 0.00 N ATOM 1360 CA GLY A 88 -6.704 4.402 -6.363 1.00 0.00 C ATOM 1361 C GLY A 88 -5.859 3.815 -7.497 1.00 0.00 C ATOM 1362 O GLY A 88 -5.468 2.648 -7.445 1.00 0.00 O ATOM 0 H GLY A 88 -7.495 6.353 -6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.041 4.838 -5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.249 3.595 -5.873 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.587 4.635 -8.528 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.791 4.233 -9.716 1.00 0.00 C ATOM 1368 C LYS A 89 -3.397 4.884 -9.675 1.00 0.00 C ATOM 1369 O LYS A 89 -3.126 5.738 -8.828 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.545 4.646 -11.016 1.00 0.00 C ATOM 1371 CG LYS A 89 -6.843 3.843 -11.312 1.00 0.00 C ATOM 1372 CD LYS A 89 -6.577 2.403 -11.816 1.00 0.00 C ATOM 1373 CE LYS A 89 -5.869 2.378 -13.191 1.00 0.00 C ATOM 1374 NZ LYS A 89 -6.650 3.067 -14.255 1.00 0.00 N ATOM 0 H LYS A 89 -5.912 5.601 -8.567 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.662 3.151 -9.707 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.799 5.704 -10.949 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.867 4.534 -11.862 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.447 3.797 -10.406 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.430 4.378 -12.059 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.965 1.873 -11.086 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.523 1.866 -11.888 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.892 2.852 -13.100 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.696 1.343 -13.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.325 2.744 -15.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.660 2.845 -14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.511 4.095 -14.177 1.00 0.00 H new ATOM 1388 N ARG A 90 -2.532 4.465 -10.608 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.166 4.993 -10.765 1.00 0.00 C ATOM 1390 C ARG A 90 -1.178 6.179 -11.755 1.00 0.00 C ATOM 1391 O ARG A 90 -1.735 6.067 -12.853 1.00 0.00 O ATOM 1392 CB ARG A 90 -0.237 3.847 -11.283 1.00 0.00 C ATOM 1393 CG ARG A 90 1.256 4.216 -11.486 1.00 0.00 C ATOM 1394 CD ARG A 90 1.995 4.518 -10.177 1.00 0.00 C ATOM 1395 NE ARG A 90 1.898 3.412 -9.207 1.00 0.00 N ATOM 1396 CZ ARG A 90 1.836 3.553 -7.868 1.00 0.00 C ATOM 1397 NH1 ARG A 90 1.792 4.759 -7.303 1.00 0.00 N ATOM 1398 NH2 ARG A 90 1.798 2.479 -7.099 1.00 0.00 N ATOM 0 H ARG A 90 -2.763 3.739 -11.286 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.789 5.351 -9.807 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.292 3.016 -10.579 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.633 3.487 -12.232 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.759 3.395 -11.997 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.321 5.086 -12.140 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.045 4.716 -10.393 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.584 5.424 -9.732 1.00 0.00 H new ATOM 0 HE ARG A 90 1.876 2.463 -9.580 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.805 5.596 -7.886 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.745 4.845 -6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.816 1.550 -7.519 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.751 2.579 -6.085 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.593 7.321 -11.343 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.367 8.482 -12.228 1.00 0.00 C ATOM 1414 C ILE A 91 0.638 8.083 -13.339 1.00 0.00 C ATOM 1415 O ILE A 91 1.597 7.341 -13.073 1.00 0.00 O ATOM 1416 CB ILE A 91 0.210 9.726 -11.439 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.656 10.111 -10.191 1.00 0.00 C ATOM 1418 CG2 ILE A 91 0.357 10.946 -12.370 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -1.937 10.860 -10.483 1.00 0.00 C ATOM 0 H ILE A 91 -0.264 7.465 -10.388 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.328 8.769 -12.654 1.00 0.00 H new ATOM 0 HB ILE A 91 1.192 9.426 -11.073 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.907 9.198 -9.651 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.046 10.719 -9.523 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.755 11.789 -11.805 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.038 10.701 -13.185 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.618 11.211 -12.779 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.455 11.074 -9.548 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.704 11.796 -10.991 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.577 10.251 -11.121 1.00 0.00 H new ATOM 1431 N SER A 92 0.420 8.583 -14.564 1.00 0.00 N ATOM 1432 CA SER A 92 1.325 8.334 -15.703 1.00 0.00 C ATOM 1433 C SER A 92 2.605 9.164 -15.540 1.00 0.00 C ATOM 1434 O SER A 92 2.558 10.243 -14.952 1.00 0.00 O ATOM 1435 CB SER A 92 0.631 8.708 -17.029 1.00 0.00 C ATOM 1436 OG SER A 92 -0.615 8.051 -17.163 1.00 0.00 O ATOM 0 H SER A 92 -0.383 9.168 -14.796 1.00 0.00 H new ATOM 0 HA SER A 92 1.580 7.274 -15.723 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.482 9.787 -17.071 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.276 8.442 -17.867 1.00 0.00 H new ATOM 0 HG SER A 92 -1.031 8.309 -18.012 1.00 0.00 H new ATOM 1442 N GLU A 93 3.729 8.665 -16.076 1.00 0.00 N ATOM 1443 CA GLU A 93 5.007 9.399 -16.084 1.00 0.00 C ATOM 1444 C GLU A 93 4.868 10.706 -16.891 1.00 0.00 C ATOM 1445 O GLU A 93 5.439 11.734 -16.524 1.00 0.00 O ATOM 1446 CB GLU A 93 6.124 8.518 -16.683 1.00 0.00 C ATOM 1447 CG GLU A 93 7.519 9.177 -16.716 1.00 0.00 C ATOM 1448 CD GLU A 93 8.549 8.358 -17.504 1.00 0.00 C ATOM 1449 OE1 GLU A 93 9.167 7.437 -16.923 1.00 0.00 O ATOM 1450 OE2 GLU A 93 8.739 8.626 -18.709 1.00 0.00 O ATOM 0 H GLU A 93 3.780 7.746 -16.515 1.00 0.00 H new ATOM 0 HA GLU A 93 5.272 9.650 -15.057 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.187 7.595 -16.107 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.844 8.242 -17.699 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.436 10.169 -17.159 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.875 9.313 -15.695 1.00 0.00 H new ATOM 1457 N ASP A 94 4.084 10.631 -17.992 1.00 0.00 N ATOM 1458 CA ASP A 94 3.755 11.787 -18.858 1.00 0.00 C ATOM 1459 C ASP A 94 2.982 12.849 -18.074 1.00 0.00 C ATOM 1460 O ASP A 94 3.284 14.042 -18.154 1.00 0.00 O ATOM 1461 CB ASP A 94 2.926 11.344 -20.089 1.00 0.00 C ATOM 1462 CG ASP A 94 3.675 10.327 -20.950 1.00 0.00 C ATOM 1463 OD1 ASP A 94 4.529 10.736 -21.755 1.00 0.00 O ATOM 1464 OD2 ASP A 94 3.441 9.110 -20.791 1.00 0.00 O ATOM 0 H ASP A 94 3.659 9.759 -18.307 1.00 0.00 H new ATOM 0 HA ASP A 94 4.696 12.215 -19.205 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.984 10.911 -19.754 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.679 12.217 -20.693 1.00 0.00 H new ATOM 1469 N ARG A 95 1.984 12.379 -17.315 1.00 0.00 N ATOM 1470 CA ARG A 95 1.183 13.224 -16.421 1.00 0.00 C ATOM 1471 C ARG A 95 2.083 13.879 -15.349 1.00 0.00 C ATOM 1472 O ARG A 95 1.932 15.054 -15.061 1.00 0.00 O ATOM 1473 CB ARG A 95 0.063 12.377 -15.756 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.877 13.158 -14.802 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.890 14.050 -15.523 1.00 0.00 C ATOM 1476 NE ARG A 95 -2.685 14.838 -14.574 1.00 0.00 N ATOM 1477 CZ ARG A 95 -3.448 15.893 -14.898 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -3.584 16.285 -16.161 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -4.082 16.548 -13.954 1.00 0.00 N ATOM 0 H ARG A 95 1.708 11.397 -17.304 1.00 0.00 H new ATOM 0 HA ARG A 95 0.719 14.018 -17.005 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.540 11.921 -16.541 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.527 11.564 -15.198 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.415 12.447 -14.175 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.273 13.775 -14.137 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.366 14.720 -16.204 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.553 13.433 -16.130 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.655 14.562 -13.592 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.103 15.781 -16.906 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.169 17.090 -16.385 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.993 16.254 -12.981 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.664 17.351 -14.193 1.00 0.00 H new ATOM 1493 N LEU A 96 3.048 13.100 -14.815 1.00 0.00 N ATOM 1494 CA LEU A 96 3.979 13.560 -13.754 1.00 0.00 C ATOM 1495 C LEU A 96 4.986 14.607 -14.276 1.00 0.00 C ATOM 1496 O LEU A 96 5.336 15.534 -13.559 1.00 0.00 O ATOM 1497 CB LEU A 96 4.762 12.363 -13.139 1.00 0.00 C ATOM 1498 CG LEU A 96 3.953 11.392 -12.229 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.786 10.152 -11.824 1.00 0.00 C ATOM 1500 CD2 LEU A 96 3.399 12.125 -10.980 1.00 0.00 C ATOM 0 H LEU A 96 3.206 12.135 -15.105 1.00 0.00 H new ATOM 0 HA LEU A 96 3.362 14.027 -12.986 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.194 11.784 -13.955 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.592 12.763 -12.557 1.00 0.00 H new ATOM 0 HG LEU A 96 3.105 11.035 -12.814 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.184 9.501 -11.190 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.088 9.608 -12.719 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.673 10.472 -11.277 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.839 11.422 -10.364 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.227 12.535 -10.401 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.741 12.935 -11.295 1.00 0.00 H new ATOM 1512 N LYS A 97 5.476 14.428 -15.512 1.00 0.00 N ATOM 1513 CA LYS A 97 6.537 15.294 -16.078 1.00 0.00 C ATOM 1514 C LYS A 97 5.937 16.627 -16.573 1.00 0.00 C ATOM 1515 O LYS A 97 6.599 17.668 -16.525 1.00 0.00 O ATOM 1516 CB LYS A 97 7.325 14.554 -17.212 1.00 0.00 C ATOM 1517 CG LYS A 97 6.575 14.389 -18.557 1.00 0.00 C ATOM 1518 CD LYS A 97 7.350 13.532 -19.595 1.00 0.00 C ATOM 1519 CE LYS A 97 7.549 12.078 -19.134 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.253 11.245 -20.145 1.00 0.00 N ATOM 0 H LYS A 97 5.158 13.693 -16.144 1.00 0.00 H new ATOM 0 HA LYS A 97 7.253 15.524 -15.289 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.251 15.097 -17.399 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.603 13.565 -16.849 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.605 13.929 -18.369 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.384 15.375 -18.981 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.809 13.538 -20.541 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.323 13.986 -19.781 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.118 12.071 -18.204 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.577 11.634 -18.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.481 10.318 -19.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.640 11.114 -20.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.132 11.720 -20.435 1.00 0.00 H new ATOM 1534 N ALA A 98 4.669 16.577 -17.026 1.00 0.00 N ATOM 1535 CA ALA A 98 3.917 17.758 -17.495 1.00 0.00 C ATOM 1536 C ALA A 98 3.359 18.553 -16.304 1.00 0.00 C ATOM 1537 O ALA A 98 3.363 19.788 -16.309 1.00 0.00 O ATOM 1538 CB ALA A 98 2.783 17.316 -18.436 1.00 0.00 C ATOM 0 H ALA A 98 4.134 15.710 -17.077 1.00 0.00 H new ATOM 0 HA ALA A 98 4.594 18.411 -18.046 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.232 18.192 -18.778 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.205 16.794 -19.295 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.107 16.648 -17.902 1.00 0.00 H new ATOM 1544 N VAL A 99 2.889 17.816 -15.287 1.00 0.00 N ATOM 1545 CA VAL A 99 2.308 18.374 -14.059 1.00 0.00 C ATOM 1546 C VAL A 99 2.604 17.421 -12.865 1.00 0.00 C ATOM 1547 O VAL A 99 1.882 16.449 -12.645 1.00 0.00 O ATOM 1548 CB VAL A 99 0.759 18.685 -14.228 1.00 0.00 C ATOM 1549 CG1 VAL A 99 -0.037 17.500 -14.834 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.124 19.157 -12.899 1.00 0.00 C ATOM 0 H VAL A 99 2.903 16.796 -15.296 1.00 0.00 H new ATOM 0 HA VAL A 99 2.777 19.335 -13.848 1.00 0.00 H new ATOM 0 HB VAL A 99 0.695 19.503 -14.946 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.088 17.776 -14.924 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.361 17.261 -15.820 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.056 16.629 -14.185 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.936 19.360 -13.054 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.238 18.378 -12.145 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.622 20.066 -12.560 1.00 0.00 H new ATOM 1560 N PRO A 100 3.736 17.640 -12.111 1.00 0.00 N ATOM 1561 CA PRO A 100 4.051 16.841 -10.891 1.00 0.00 C ATOM 1562 C PRO A 100 3.109 17.172 -9.713 1.00 0.00 C ATOM 1563 O PRO A 100 3.000 16.399 -8.750 1.00 0.00 O ATOM 1564 CB PRO A 100 5.526 17.221 -10.587 1.00 0.00 C ATOM 1565 CG PRO A 100 5.696 18.591 -11.177 1.00 0.00 C ATOM 1566 CD PRO A 100 4.819 18.625 -12.414 1.00 0.00 C ATOM 0 HA PRO A 100 3.913 15.770 -11.043 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.721 17.225 -9.515 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.219 16.508 -11.034 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.398 19.362 -10.466 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.739 18.779 -11.433 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.415 19.622 -12.591 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.377 18.344 -13.307 1.00 0.00 H new ATOM 1574 N TYR A 101 2.423 18.328 -9.815 1.00 0.00 N ATOM 1575 CA TYR A 101 1.472 18.817 -8.811 1.00 0.00 C ATOM 1576 C TYR A 101 0.061 18.385 -9.207 1.00 0.00 C ATOM 1577 O TYR A 101 -0.807 19.209 -9.519 1.00 0.00 O ATOM 1578 CB TYR A 101 1.595 20.369 -8.610 1.00 0.00 C ATOM 1579 CG TYR A 101 1.720 21.225 -9.896 1.00 0.00 C ATOM 1580 CD1 TYR A 101 2.968 21.461 -10.490 1.00 0.00 C ATOM 1581 CD2 TYR A 101 0.598 21.791 -10.514 1.00 0.00 C ATOM 1582 CE1 TYR A 101 3.083 22.216 -11.640 1.00 0.00 C ATOM 1583 CE2 TYR A 101 0.716 22.543 -11.665 1.00 0.00 C ATOM 1584 CZ TYR A 101 1.955 22.753 -12.220 1.00 0.00 C ATOM 1585 OH TYR A 101 2.062 23.508 -13.365 1.00 0.00 O ATOM 0 H TYR A 101 2.520 18.955 -10.614 1.00 0.00 H new ATOM 0 HA TYR A 101 1.706 18.375 -7.843 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.721 20.712 -8.056 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.466 20.564 -7.984 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.856 21.044 -10.039 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.379 21.636 -10.081 1.00 0.00 H new ATOM 0 HE1 TYR A 101 4.053 22.385 -12.083 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.163 22.965 -12.128 1.00 0.00 H new ATOM 0 HH TYR A 101 1.172 23.809 -13.642 1.00 0.00 H new ATOM 1595 N THR A 102 -0.149 17.063 -9.250 1.00 0.00 N ATOM 1596 CA THR A 102 -1.448 16.497 -9.584 1.00 0.00 C ATOM 1597 C THR A 102 -1.780 15.305 -8.645 1.00 0.00 C ATOM 1598 O THR A 102 -1.039 14.315 -8.587 1.00 0.00 O ATOM 1599 CB THR A 102 -1.533 16.101 -11.104 1.00 0.00 C ATOM 1600 OG1 THR A 102 -2.891 15.802 -11.435 1.00 0.00 O ATOM 1601 CG2 THR A 102 -0.635 14.911 -11.497 1.00 0.00 C ATOM 0 H THR A 102 0.572 16.368 -9.056 1.00 0.00 H new ATOM 0 HA THR A 102 -2.207 17.263 -9.423 1.00 0.00 H new ATOM 0 HB THR A 102 -1.165 16.958 -11.668 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.009 14.830 -11.487 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.752 14.702 -12.560 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.406 15.156 -11.288 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.923 14.032 -10.921 1.00 0.00 H new ATOM 1609 N PRO A 103 -2.869 15.417 -7.825 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.404 14.268 -7.061 1.00 0.00 C ATOM 1611 C PRO A 103 -4.309 13.365 -7.935 1.00 0.00 C ATOM 1612 O PRO A 103 -4.736 12.284 -7.495 1.00 0.00 O ATOM 1613 CB PRO A 103 -4.189 14.966 -5.919 1.00 0.00 C ATOM 1614 CG PRO A 103 -4.683 16.248 -6.531 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.619 16.676 -7.530 1.00 0.00 C ATOM 0 HA PRO A 103 -2.634 13.588 -6.697 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.016 14.348 -5.571 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.550 15.158 -5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.644 16.100 -7.024 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.831 17.012 -5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.065 17.095 -8.432 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -2.965 17.441 -7.112 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.601 13.818 -9.179 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.528 13.133 -10.096 1.00 0.00 C ATOM 1625 C PHE A 104 -4.779 12.666 -11.356 1.00 0.00 C ATOM 1626 O PHE A 104 -3.884 13.347 -11.846 1.00 0.00 O ATOM 1627 CB PHE A 104 -6.702 14.073 -10.501 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.385 14.799 -9.331 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -7.696 14.131 -8.144 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -7.725 16.148 -9.434 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -8.296 14.793 -7.091 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.328 16.810 -8.383 1.00 0.00 C ATOM 1633 CZ PHE A 104 -8.623 16.132 -7.216 1.00 0.00 C ATOM 0 H PHE A 104 -4.197 14.669 -9.569 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.939 12.266 -9.579 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.326 14.818 -11.202 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.451 13.486 -11.032 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.464 13.081 -8.048 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.514 16.682 -10.349 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.510 14.267 -6.172 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.569 17.859 -8.473 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.109 16.647 -6.401 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.166 11.497 -11.885 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.622 10.972 -13.156 1.00 0.00 C ATOM 1645 C CYS A 105 -5.351 11.658 -14.316 1.00 0.00 C ATOM 1646 O CYS A 105 -6.399 12.267 -14.081 1.00 0.00 O ATOM 1647 CB CYS A 105 -4.775 9.427 -13.214 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.491 8.796 -13.272 1.00 0.00 S ATOM 0 H CYS A 105 -5.860 10.888 -11.451 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.556 11.189 -13.230 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.244 9.061 -14.093 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.280 8.999 -12.342 1.00 0.00 H new ATOM 0 HG CYS A 105 -6.534 7.723 -14.004 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.795 11.571 -15.548 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.370 12.208 -16.761 1.00 0.00 C ATOM 1655 C GLN A 106 -6.861 11.854 -16.939 1.00 0.00 C ATOM 1656 O GLN A 106 -7.668 12.711 -17.318 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.559 11.795 -18.020 1.00 0.00 C ATOM 1658 CG GLN A 106 -5.041 12.465 -19.328 1.00 0.00 C ATOM 1659 CD GLN A 106 -4.291 12.003 -20.584 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -3.814 10.870 -20.661 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -4.196 12.866 -21.580 1.00 0.00 N ATOM 0 H GLN A 106 -3.933 11.057 -15.731 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.303 13.288 -16.633 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.510 12.045 -17.861 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.615 10.713 -18.136 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.104 12.261 -19.457 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.933 13.545 -19.231 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.601 13.798 -21.488 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.718 12.600 -22.441 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.193 10.589 -16.606 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.576 10.075 -16.611 1.00 0.00 C ATOM 1672 C GLU A 107 -9.494 10.961 -15.731 1.00 0.00 C ATOM 1673 O GLU A 107 -10.510 11.471 -16.202 1.00 0.00 O ATOM 1674 CB GLU A 107 -8.616 8.614 -16.078 1.00 0.00 C ATOM 1675 CG GLU A 107 -7.678 7.606 -16.780 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.744 6.197 -16.146 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -7.134 5.986 -15.067 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -8.431 5.308 -16.693 1.00 0.00 O ATOM 0 H GLU A 107 -6.503 9.892 -16.324 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.936 10.096 -17.640 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.369 8.630 -15.016 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.639 8.246 -16.162 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.945 7.539 -17.835 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.653 7.975 -16.733 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.070 11.161 -14.459 1.00 0.00 N ATOM 1686 CA CYS A 108 -9.843 11.924 -13.451 1.00 0.00 C ATOM 1687 C CYS A 108 -9.847 13.424 -13.758 1.00 0.00 C ATOM 1688 O CYS A 108 -10.832 14.092 -13.487 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.301 11.683 -12.025 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.559 10.008 -11.398 1.00 0.00 S ATOM 0 H CYS A 108 -8.185 10.799 -14.105 1.00 0.00 H new ATOM 0 HA CYS A 108 -10.869 11.560 -13.501 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.233 11.901 -12.014 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.777 12.389 -11.345 1.00 0.00 H new ATOM 0 HG CYS A 108 -8.582 9.687 -10.603 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.730 13.933 -14.316 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.580 15.348 -14.703 1.00 0.00 C ATOM 1697 C ALA A 109 -9.588 15.716 -15.807 1.00 0.00 C ATOM 1698 O ALA A 109 -10.156 16.812 -15.810 1.00 0.00 O ATOM 1699 CB ALA A 109 -7.132 15.618 -15.154 1.00 0.00 C ATOM 0 H ALA A 109 -7.903 13.369 -14.511 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.792 15.978 -13.839 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -7.029 16.665 -15.438 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.448 15.395 -14.335 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.893 14.985 -16.008 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.792 14.770 -16.741 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.762 14.901 -17.842 1.00 0.00 C ATOM 1707 C ALA A 110 -12.202 14.655 -17.346 1.00 0.00 C ATOM 1708 O ALA A 110 -13.161 15.161 -17.932 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.400 13.915 -18.965 1.00 0.00 C ATOM 0 H ALA A 110 -9.284 13.886 -16.753 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.717 15.919 -18.229 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.118 14.012 -19.780 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.399 14.137 -19.335 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.426 12.897 -18.577 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.328 13.873 -16.254 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.625 13.470 -15.675 1.00 0.00 C ATOM 1717 C ALA A 111 -13.933 14.228 -14.357 1.00 0.00 C ATOM 1718 O ALA A 111 -14.729 13.743 -13.538 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.624 11.946 -15.460 1.00 0.00 C ATOM 0 H ALA A 111 -11.526 13.501 -15.746 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.419 13.737 -16.372 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.578 11.638 -15.032 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.476 11.444 -16.416 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.817 11.675 -14.779 1.00 0.00 H new