USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=14 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= -0.0158 X(o=-0.016,f=-0.39) 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 -100:sc= -0.13 USER MOD Single : A 37 GLN : amide:sc= -0.781 K(o=-0.78,f=-2.7!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -4.37! C(o=-6.4!,f=-4.4!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 72 HIS : no HE2:sc= -0.0954 K(o=-0.095,f=-0.75) USER MOD Single : A 77 HIS :FLIP no HD1:sc= 0.326 F(o=-1.8!,f=0.33) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= 0.207 K(o=0.21,f=-2.1!) USER MOD Single : A 82 GLN : amide:sc= -0.0148 K(o=-0.015,f=-0.76) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -136:sc= 0.831 USER MOD Single : A 92 CYS SG : rot 180:sc= -1.48 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -17.910 -0.379 7.465 1.00 0.00 N ATOM 81 CA ALA A 9 -18.011 -1.597 6.670 1.00 0.00 C ATOM 82 C ALA A 9 -17.370 -2.778 7.391 1.00 0.00 C ATOM 83 O ALA A 9 -16.894 -2.645 8.519 1.00 0.00 O ATOM 84 CB ALA A 9 -17.366 -1.394 5.308 1.00 0.00 C ATOM 0 HA ALA A 9 -19.068 -1.822 6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.449 -2.312 4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.872 -0.584 4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.314 -1.141 5.438 1.00 0.00 H new ATOM 90 N ARG A 10 -17.360 -3.933 6.734 1.00 0.00 N ATOM 91 CA ARG A 10 -16.778 -5.137 7.313 1.00 0.00 C ATOM 92 C ARG A 10 -15.687 -5.702 6.409 1.00 0.00 C ATOM 93 O ARG A 10 -15.752 -5.577 5.185 1.00 0.00 O ATOM 94 CB ARG A 10 -17.862 -6.193 7.543 1.00 0.00 C ATOM 95 CG ARG A 10 -17.509 -7.202 8.624 1.00 0.00 C ATOM 96 CD ARG A 10 -17.728 -6.628 10.015 1.00 0.00 C ATOM 97 NE ARG A 10 -17.225 -7.518 11.059 1.00 0.00 N ATOM 98 CZ ARG A 10 -17.649 -7.487 12.317 1.00 0.00 C ATOM 99 NH1 ARG A 10 -18.579 -6.617 12.686 1.00 0.00 N ATOM 100 NH2 ARG A 10 -17.144 -8.329 13.209 1.00 0.00 N ATOM 0 H ARG A 10 -17.749 -4.060 5.800 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.331 -4.870 8.270 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.792 -5.694 7.814 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -18.045 -6.723 6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -18.117 -8.098 8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -16.468 -7.505 8.514 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.230 -5.662 10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.792 -6.451 10.171 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.509 -8.200 10.808 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.971 -5.969 12.003 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.903 -6.596 13.653 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.429 -9.001 12.929 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.470 -8.305 14.175 1.00 0.00 H new ATOM 114 N LEU A 11 -14.684 -6.324 7.020 1.00 0.00 N ATOM 115 CA LEU A 11 -13.577 -6.908 6.271 1.00 0.00 C ATOM 116 C LEU A 11 -13.889 -8.347 5.871 1.00 0.00 C ATOM 117 O LEU A 11 -14.242 -9.173 6.712 1.00 0.00 O ATOM 118 CB LEU A 11 -12.293 -6.865 7.102 1.00 0.00 C ATOM 119 CG LEU A 11 -11.025 -7.358 6.405 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.730 -6.515 5.174 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.845 -7.334 7.365 1.00 0.00 C ATOM 0 H LEU A 11 -14.615 -6.437 8.031 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.435 -6.320 5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.129 -5.838 7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.445 -7.463 8.000 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.187 -8.387 6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.824 -6.881 4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.565 -6.584 4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.589 -5.476 5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.951 -7.688 6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.682 -6.315 7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.055 -7.982 8.216 1.00 0.00 H new ATOM 133 N VAL A 12 -13.753 -8.640 4.582 1.00 0.00 N ATOM 134 CA VAL A 12 -14.018 -9.980 4.071 1.00 0.00 C ATOM 135 C VAL A 12 -12.722 -10.693 3.701 1.00 0.00 C ATOM 136 O VAL A 12 -12.563 -11.886 3.956 1.00 0.00 O ATOM 137 CB VAL A 12 -14.938 -9.938 2.836 1.00 0.00 C ATOM 138 CG1 VAL A 12 -16.395 -10.068 3.252 1.00 0.00 C ATOM 139 CG2 VAL A 12 -14.712 -8.658 2.047 1.00 0.00 C ATOM 0 H VAL A 12 -13.461 -7.968 3.872 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.517 -10.530 4.869 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.692 -10.782 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -17.030 -10.036 2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.542 -11.015 3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.658 -9.246 3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.370 -8.645 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.929 -7.797 2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.674 -8.613 1.717 1.00 0.00 H new ATOM 149 N ALA A 13 -11.797 -9.952 3.099 1.00 0.00 N ATOM 150 CA ALA A 13 -10.513 -10.513 2.696 1.00 0.00 C ATOM 151 C ALA A 13 -9.362 -9.604 3.113 1.00 0.00 C ATOM 152 O ALA A 13 -8.909 -8.763 2.337 1.00 0.00 O ATOM 153 CB ALA A 13 -10.487 -10.745 1.193 1.00 0.00 C ATOM 0 H ALA A 13 -11.913 -8.963 2.880 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.387 -11.470 3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.523 -11.164 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.281 -11.440 0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.639 -9.798 0.676 1.00 0.00 H new ATOM 159 N GLY A 14 -8.893 -9.777 4.345 1.00 0.00 N ATOM 160 CA GLY A 14 -7.799 -8.964 4.844 1.00 0.00 C ATOM 161 C GLY A 14 -6.550 -9.089 3.995 1.00 0.00 C ATOM 162 O GLY A 14 -6.489 -9.916 3.084 1.00 0.00 O ATOM 0 H GLY A 14 -9.251 -10.466 5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.111 -7.920 4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.569 -9.258 5.868 1.00 0.00 H new ATOM 166 N LEU A 15 -5.550 -8.266 4.291 1.00 0.00 N ATOM 167 CA LEU A 15 -4.296 -8.286 3.547 1.00 0.00 C ATOM 168 C LEU A 15 -3.508 -9.559 3.843 1.00 0.00 C ATOM 169 O LEU A 15 -3.903 -10.362 4.687 1.00 0.00 O ATOM 170 CB LEU A 15 -3.453 -7.059 3.896 1.00 0.00 C ATOM 171 CG LEU A 15 -4.109 -5.700 3.645 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.518 -4.644 4.565 1.00 0.00 C ATOM 173 CD2 LEU A 15 -3.947 -5.292 2.188 1.00 0.00 C ATOM 0 H LEU A 15 -5.584 -7.576 5.042 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.533 -8.266 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.179 -7.119 4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.527 -7.104 3.323 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.174 -5.786 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.997 -3.684 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.686 -4.931 5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.447 -4.559 4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.419 -4.323 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.887 -5.224 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.419 -6.037 1.547 1.00 0.00 H new ATOM 185 N GLU A 16 -2.392 -9.734 3.142 1.00 0.00 N ATOM 186 CA GLU A 16 -1.549 -10.909 3.331 1.00 0.00 C ATOM 187 C GLU A 16 -0.072 -10.525 3.322 1.00 0.00 C ATOM 188 O GLU A 16 0.294 -9.431 2.893 1.00 0.00 O ATOM 189 CB GLU A 16 -1.825 -11.943 2.238 1.00 0.00 C ATOM 190 CG GLU A 16 -3.234 -12.511 2.279 1.00 0.00 C ATOM 191 CD GLU A 16 -3.439 -13.635 1.283 1.00 0.00 C ATOM 192 OE1 GLU A 16 -3.161 -14.800 1.638 1.00 0.00 O ATOM 193 OE2 GLU A 16 -3.877 -13.351 0.149 1.00 0.00 O ATOM 0 H GLU A 16 -2.051 -9.078 2.439 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.788 -11.344 4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.656 -11.484 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.110 -12.760 2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.445 -12.878 3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.949 -11.714 2.074 1.00 0.00 H new ATOM 200 N ASP A 17 0.772 -11.433 3.800 1.00 0.00 N ATOM 201 CA ASP A 17 2.209 -11.192 3.847 1.00 0.00 C ATOM 202 C ASP A 17 2.850 -11.457 2.488 1.00 0.00 C ATOM 203 O ASP A 17 2.492 -12.412 1.797 1.00 0.00 O ATOM 204 CB ASP A 17 2.861 -12.073 4.913 1.00 0.00 C ATOM 205 CG ASP A 17 2.273 -13.470 4.949 1.00 0.00 C ATOM 206 OD1 ASP A 17 2.732 -14.327 4.165 1.00 0.00 O ATOM 207 OD2 ASP A 17 1.353 -13.706 5.760 1.00 0.00 O ATOM 0 H ASP A 17 0.485 -12.343 4.161 1.00 0.00 H new ATOM 0 HA ASP A 17 2.368 -10.145 4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.932 -12.138 4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.740 -11.606 5.890 1.00 0.00 H new ATOM 212 N VAL A 18 3.798 -10.606 2.110 1.00 0.00 N ATOM 213 CA VAL A 18 4.489 -10.748 0.834 1.00 0.00 C ATOM 214 C VAL A 18 5.957 -10.358 0.957 1.00 0.00 C ATOM 215 O VAL A 18 6.307 -9.452 1.713 1.00 0.00 O ATOM 216 CB VAL A 18 3.830 -9.887 -0.260 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.587 -10.020 -1.573 1.00 0.00 C ATOM 218 CG2 VAL A 18 2.370 -10.274 -0.436 1.00 0.00 C ATOM 0 H VAL A 18 4.105 -9.810 2.670 1.00 0.00 H new ATOM 0 HA VAL A 18 4.418 -11.798 0.551 1.00 0.00 H new ATOM 0 HB VAL A 18 3.870 -8.843 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.107 -9.405 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.616 -9.689 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.581 -11.062 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.921 -9.655 -1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.304 -11.323 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.837 -10.121 0.503 1.00 0.00 H new ATOM 228 N GLN A 19 6.812 -11.049 0.209 1.00 0.00 N ATOM 229 CA GLN A 19 8.244 -10.774 0.235 1.00 0.00 C ATOM 230 C GLN A 19 8.834 -10.828 -1.170 1.00 0.00 C ATOM 231 O GLN A 19 8.582 -11.767 -1.925 1.00 0.00 O ATOM 232 CB GLN A 19 8.960 -11.778 1.141 1.00 0.00 C ATOM 233 CG GLN A 19 9.313 -13.082 0.445 1.00 0.00 C ATOM 234 CD GLN A 19 9.654 -14.191 1.420 1.00 0.00 C ATOM 235 OE1 GLN A 19 8.944 -14.410 2.402 1.00 0.00 O ATOM 236 NE2 GLN A 19 10.747 -14.898 1.155 1.00 0.00 N ATOM 0 H GLN A 19 6.538 -11.802 -0.422 1.00 0.00 H new ATOM 0 HA GLN A 19 8.389 -9.769 0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.873 -11.322 1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.326 -11.995 2.001 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.475 -13.396 -0.177 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.160 -12.916 -0.221 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.306 -14.682 0.330 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.027 -15.657 1.777 1.00 0.00 H new ATOM 245 N VAL A 20 9.621 -9.814 -1.515 1.00 0.00 N ATOM 246 CA VAL A 20 10.248 -9.746 -2.829 1.00 0.00 C ATOM 247 C VAL A 20 11.685 -9.247 -2.727 1.00 0.00 C ATOM 248 O VAL A 20 12.120 -8.785 -1.672 1.00 0.00 O ATOM 249 CB VAL A 20 9.462 -8.822 -3.779 1.00 0.00 C ATOM 250 CG1 VAL A 20 8.053 -9.351 -3.993 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.430 -7.402 -3.235 1.00 0.00 C ATOM 0 H VAL A 20 9.839 -9.028 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 20 10.245 -10.758 -3.234 1.00 0.00 H new ATOM 0 HB VAL A 20 9.969 -8.806 -4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.513 -8.686 -4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.101 -10.348 -4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.533 -9.399 -3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.871 -6.763 -3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.948 -7.398 -2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.449 -7.026 -3.138 1.00 0.00 H new ATOM 261 N TYR A 21 12.419 -9.343 -3.831 1.00 0.00 N ATOM 262 CA TYR A 21 13.808 -8.904 -3.866 1.00 0.00 C ATOM 263 C TYR A 21 13.901 -7.411 -4.170 1.00 0.00 C ATOM 264 O TYR A 21 12.945 -6.805 -4.655 1.00 0.00 O ATOM 265 CB TYR A 21 14.590 -9.698 -4.913 1.00 0.00 C ATOM 266 CG TYR A 21 15.101 -11.028 -4.407 1.00 0.00 C ATOM 267 CD1 TYR A 21 14.222 -12.016 -3.981 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.464 -11.297 -4.355 1.00 0.00 C ATOM 269 CE1 TYR A 21 14.684 -13.232 -3.517 1.00 0.00 C ATOM 270 CE2 TYR A 21 16.935 -12.511 -3.894 1.00 0.00 C ATOM 271 CZ TYR A 21 16.041 -13.475 -3.476 1.00 0.00 C ATOM 272 OH TYR A 21 16.507 -14.685 -3.015 1.00 0.00 O ATOM 0 H TYR A 21 12.074 -9.721 -4.713 1.00 0.00 H new ATOM 0 HA TYR A 21 14.243 -9.084 -2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 21 13.951 -9.870 -5.779 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.435 -9.100 -5.254 1.00 0.00 H new ATOM 0 HD1 TYR A 21 13.159 -11.830 -4.013 1.00 0.00 H new ATOM 0 HD2 TYR A 21 17.166 -10.544 -4.681 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.987 -13.988 -3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 21 17.997 -12.704 -3.861 1.00 0.00 H new ATOM 0 HH TYR A 21 17.486 -14.694 -3.053 1.00 0.00 H new ATOM 282 N ASP A 22 15.058 -6.826 -3.881 1.00 0.00 N ATOM 283 CA ASP A 22 15.277 -5.405 -4.124 1.00 0.00 C ATOM 284 C ASP A 22 15.020 -5.058 -5.588 1.00 0.00 C ATOM 285 O ASP A 22 15.357 -5.828 -6.487 1.00 0.00 O ATOM 286 CB ASP A 22 16.704 -5.014 -3.738 1.00 0.00 C ATOM 287 CG ASP A 22 17.154 -3.730 -4.406 1.00 0.00 C ATOM 288 OD1 ASP A 22 17.233 -3.706 -5.652 1.00 0.00 O ATOM 289 OD2 ASP A 22 17.429 -2.749 -3.684 1.00 0.00 O ATOM 0 H ASP A 22 15.858 -7.314 -3.478 1.00 0.00 H new ATOM 0 HA ASP A 22 14.575 -4.844 -3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.766 -4.898 -2.656 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.385 -5.820 -4.011 1.00 0.00 H new ATOM 294 N GLY A 23 14.421 -3.894 -5.818 1.00 0.00 N ATOM 295 CA GLY A 23 14.128 -3.467 -7.174 1.00 0.00 C ATOM 296 C GLY A 23 12.848 -4.076 -7.710 1.00 0.00 C ATOM 297 O GLY A 23 12.230 -3.532 -8.625 1.00 0.00 O ATOM 0 H GLY A 23 14.133 -3.239 -5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.048 -2.380 -7.200 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.958 -3.741 -7.825 1.00 0.00 H new ATOM 301 N GLU A 24 12.450 -5.210 -7.141 1.00 0.00 N ATOM 302 CA GLU A 24 11.236 -5.895 -7.570 1.00 0.00 C ATOM 303 C GLU A 24 10.002 -5.042 -7.289 1.00 0.00 C ATOM 304 O GLU A 24 10.112 -3.903 -6.836 1.00 0.00 O ATOM 305 CB GLU A 24 11.109 -7.245 -6.863 1.00 0.00 C ATOM 306 CG GLU A 24 12.275 -8.183 -7.127 1.00 0.00 C ATOM 307 CD GLU A 24 12.557 -8.360 -8.606 1.00 0.00 C ATOM 308 OE1 GLU A 24 11.715 -8.963 -9.304 1.00 0.00 O ATOM 309 OE2 GLU A 24 13.621 -7.894 -9.066 1.00 0.00 O ATOM 0 H GLU A 24 12.950 -5.673 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 24 11.304 -6.062 -8.645 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.025 -7.077 -5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.186 -7.728 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.167 -7.796 -6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.062 -9.155 -6.682 1.00 0.00 H new ATOM 316 N ASP A 25 8.829 -5.603 -7.562 1.00 0.00 N ATOM 317 CA ASP A 25 7.573 -4.895 -7.338 1.00 0.00 C ATOM 318 C ASP A 25 6.663 -5.687 -6.404 1.00 0.00 C ATOM 319 O ASP A 25 6.456 -6.885 -6.592 1.00 0.00 O ATOM 320 CB ASP A 25 6.863 -4.640 -8.668 1.00 0.00 C ATOM 321 CG ASP A 25 7.828 -4.278 -9.780 1.00 0.00 C ATOM 322 OD1 ASP A 25 8.875 -3.667 -9.480 1.00 0.00 O ATOM 323 OD2 ASP A 25 7.536 -4.604 -10.950 1.00 0.00 O ATOM 0 H ASP A 25 8.721 -6.545 -7.938 1.00 0.00 H new ATOM 0 HA ASP A 25 7.801 -3.938 -6.868 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.302 -5.530 -8.953 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.140 -3.834 -8.542 1.00 0.00 H new ATOM 328 N ALA A 26 6.122 -5.008 -5.398 1.00 0.00 N ATOM 329 CA ALA A 26 5.233 -5.647 -4.436 1.00 0.00 C ATOM 330 C ALA A 26 3.771 -5.397 -4.789 1.00 0.00 C ATOM 331 O ALA A 26 3.417 -4.330 -5.291 1.00 0.00 O ATOM 332 CB ALA A 26 5.532 -5.149 -3.029 1.00 0.00 C ATOM 0 H ALA A 26 6.284 -4.015 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 26 5.409 -6.722 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.861 -5.635 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.564 -5.386 -2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.386 -4.070 -2.986 1.00 0.00 H new ATOM 338 N VAL A 27 2.925 -6.387 -4.523 1.00 0.00 N ATOM 339 CA VAL A 27 1.501 -6.274 -4.812 1.00 0.00 C ATOM 340 C VAL A 27 0.661 -6.672 -3.603 1.00 0.00 C ATOM 341 O VAL A 27 0.976 -7.635 -2.905 1.00 0.00 O ATOM 342 CB VAL A 27 1.100 -7.152 -6.013 1.00 0.00 C ATOM 343 CG1 VAL A 27 -0.384 -7.003 -6.312 1.00 0.00 C ATOM 344 CG2 VAL A 27 1.937 -6.799 -7.233 1.00 0.00 C ATOM 0 H VAL A 27 3.202 -7.277 -4.108 1.00 0.00 H new ATOM 0 HA VAL A 27 1.310 -5.229 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 27 1.291 -8.195 -5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.648 -7.630 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.963 -7.310 -5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.605 -5.962 -6.546 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.641 -7.429 -8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.780 -5.752 -7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.991 -6.963 -7.011 1.00 0.00 H new ATOM 354 N PHE A 28 -0.410 -5.923 -3.362 1.00 0.00 N ATOM 355 CA PHE A 28 -1.296 -6.197 -2.236 1.00 0.00 C ATOM 356 C PHE A 28 -2.749 -5.910 -2.606 1.00 0.00 C ATOM 357 O PHE A 28 -3.041 -4.950 -3.319 1.00 0.00 O ATOM 358 CB PHE A 28 -0.891 -5.355 -1.025 1.00 0.00 C ATOM 359 CG PHE A 28 0.524 -5.591 -0.577 1.00 0.00 C ATOM 360 CD1 PHE A 28 1.566 -4.851 -1.112 1.00 0.00 C ATOM 361 CD2 PHE A 28 0.811 -6.552 0.378 1.00 0.00 C ATOM 362 CE1 PHE A 28 2.868 -5.067 -0.703 1.00 0.00 C ATOM 363 CE2 PHE A 28 2.111 -6.772 0.792 1.00 0.00 C ATOM 364 CZ PHE A 28 3.141 -6.027 0.251 1.00 0.00 C ATOM 0 H PHE A 28 -0.685 -5.122 -3.931 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.205 -7.253 -1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.016 -4.300 -1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.567 -5.574 -0.198 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.358 -4.097 -1.857 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.009 -7.137 0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.672 -4.485 -1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.321 -7.525 1.537 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.158 -6.195 0.574 1.00 0.00 H new ATOM 374 N SER A 29 -3.654 -6.750 -2.116 1.00 0.00 N ATOM 375 CA SER A 29 -5.076 -6.591 -2.397 1.00 0.00 C ATOM 376 C SER A 29 -5.919 -7.041 -1.207 1.00 0.00 C ATOM 377 O SER A 29 -5.476 -7.845 -0.386 1.00 0.00 O ATOM 378 CB SER A 29 -5.464 -7.390 -3.642 1.00 0.00 C ATOM 379 OG SER A 29 -5.578 -8.771 -3.347 1.00 0.00 O ATOM 0 H SER A 29 -3.428 -7.548 -1.522 1.00 0.00 H new ATOM 0 HA SER A 29 -5.269 -5.534 -2.578 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.411 -7.020 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.716 -7.242 -4.421 1.00 0.00 H new ATOM 0 HG SER A 29 -5.829 -9.259 -4.159 1.00 0.00 H new ATOM 385 N LEU A 30 -7.137 -6.517 -1.121 1.00 0.00 N ATOM 386 CA LEU A 30 -8.044 -6.863 -0.032 1.00 0.00 C ATOM 387 C LEU A 30 -9.495 -6.623 -0.435 1.00 0.00 C ATOM 388 O LEU A 30 -9.778 -5.817 -1.322 1.00 0.00 O ATOM 389 CB LEU A 30 -7.708 -6.047 1.217 1.00 0.00 C ATOM 390 CG LEU A 30 -8.048 -4.558 1.157 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.461 -4.312 1.664 1.00 0.00 C ATOM 392 CD2 LEU A 30 -7.042 -3.748 1.963 1.00 0.00 C ATOM 0 H LEU A 30 -7.519 -5.851 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.918 -7.923 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.234 -6.485 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.641 -6.148 1.416 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.995 -4.235 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.685 -3.246 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.170 -4.862 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.541 -4.651 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.300 -2.690 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.062 -4.074 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.043 -3.899 1.555 1.00 0.00 H new ATOM 404 N ASP A 31 -10.410 -7.326 0.222 1.00 0.00 N ATOM 405 CA ASP A 31 -11.833 -7.187 -0.065 1.00 0.00 C ATOM 406 C ASP A 31 -12.569 -6.572 1.121 1.00 0.00 C ATOM 407 O ASP A 31 -12.119 -6.670 2.264 1.00 0.00 O ATOM 408 CB ASP A 31 -12.441 -8.548 -0.409 1.00 0.00 C ATOM 409 CG ASP A 31 -11.945 -9.085 -1.737 1.00 0.00 C ATOM 410 OD1 ASP A 31 -12.478 -8.662 -2.784 1.00 0.00 O ATOM 411 OD2 ASP A 31 -11.023 -9.927 -1.729 1.00 0.00 O ATOM 0 H ASP A 31 -10.192 -7.998 0.957 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.943 -6.522 -0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.200 -9.260 0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.527 -8.460 -0.439 1.00 0.00 H new ATOM 416 N LEU A 32 -13.703 -5.938 0.843 1.00 0.00 N ATOM 417 CA LEU A 32 -14.502 -5.306 1.887 1.00 0.00 C ATOM 418 C LEU A 32 -15.962 -5.738 1.792 1.00 0.00 C ATOM 419 O LEU A 32 -16.336 -6.508 0.908 1.00 0.00 O ATOM 420 CB LEU A 32 -14.401 -3.783 1.782 1.00 0.00 C ATOM 421 CG LEU A 32 -12.995 -3.194 1.894 1.00 0.00 C ATOM 422 CD1 LEU A 32 -13.050 -1.675 1.889 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.303 -3.700 3.152 1.00 0.00 C ATOM 0 H LEU A 32 -14.090 -5.848 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.110 -5.624 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.827 -3.476 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.021 -3.343 2.563 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.417 -3.519 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.040 -1.274 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.504 -1.330 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.646 -1.330 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.303 -3.270 3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.881 -3.406 4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.229 -4.787 3.114 1.00 0.00 H new ATOM 435 N SER A 33 -16.783 -5.235 2.709 1.00 0.00 N ATOM 436 CA SER A 33 -18.202 -5.570 2.730 1.00 0.00 C ATOM 437 C SER A 33 -18.975 -4.723 1.724 1.00 0.00 C ATOM 438 O SER A 33 -19.928 -5.192 1.100 1.00 0.00 O ATOM 439 CB SER A 33 -18.775 -5.366 4.133 1.00 0.00 C ATOM 440 OG SER A 33 -20.059 -5.956 4.251 1.00 0.00 O ATOM 0 H SER A 33 -16.490 -4.594 3.447 1.00 0.00 H new ATOM 0 HA SER A 33 -18.307 -6.619 2.452 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.102 -5.802 4.871 1.00 0.00 H new ATOM 0 HB3 SER A 33 -18.840 -4.300 4.351 1.00 0.00 H new ATOM 0 HG SER A 33 -20.403 -5.813 5.158 1.00 0.00 H new ATOM 446 N THR A 34 -18.559 -3.470 1.571 1.00 0.00 N ATOM 447 CA THR A 34 -19.211 -2.555 0.643 1.00 0.00 C ATOM 448 C THR A 34 -18.230 -1.515 0.114 1.00 0.00 C ATOM 449 O THR A 34 -17.069 -1.480 0.523 1.00 0.00 O ATOM 450 CB THR A 34 -20.398 -1.832 1.308 1.00 0.00 C ATOM 451 OG1 THR A 34 -21.128 -1.085 0.328 1.00 0.00 O ATOM 452 CG2 THR A 34 -19.916 -0.899 2.409 1.00 0.00 C ATOM 0 H THR A 34 -17.772 -3.065 2.079 1.00 0.00 H new ATOM 0 HA THR A 34 -19.580 -3.157 -0.187 1.00 0.00 H new ATOM 0 HB THR A 34 -21.051 -2.584 1.751 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.869 -0.141 0.376 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.772 -0.400 2.864 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.386 -1.475 3.168 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.244 -0.153 1.985 1.00 0.00 H new ATOM 460 N ILE A 35 -18.704 -0.670 -0.795 1.00 0.00 N ATOM 461 CA ILE A 35 -17.867 0.371 -1.378 1.00 0.00 C ATOM 462 C ILE A 35 -17.632 1.506 -0.388 1.00 0.00 C ATOM 463 O ILE A 35 -18.476 2.389 -0.229 1.00 0.00 O ATOM 464 CB ILE A 35 -18.496 0.946 -2.661 1.00 0.00 C ATOM 465 CG1 ILE A 35 -19.058 -0.181 -3.530 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.470 1.759 -3.436 1.00 0.00 C ATOM 467 CD1 ILE A 35 -19.705 0.305 -4.807 1.00 0.00 C ATOM 0 H ILE A 35 -19.662 -0.686 -1.143 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.913 -0.094 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.317 1.606 -2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -18.253 -0.871 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -19.792 -0.743 -2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -17.930 2.159 -4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.114 2.582 -2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.630 1.120 -3.708 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -20.080 -0.548 -5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -20.532 0.972 -4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -18.969 0.842 -5.406 1.00 0.00 H new ATOM 479 N ILE A 36 -16.481 1.477 0.275 1.00 0.00 N ATOM 480 CA ILE A 36 -16.134 2.506 1.248 1.00 0.00 C ATOM 481 C ILE A 36 -14.757 3.093 0.959 1.00 0.00 C ATOM 482 O ILE A 36 -13.970 2.516 0.209 1.00 0.00 O ATOM 483 CB ILE A 36 -16.151 1.950 2.684 1.00 0.00 C ATOM 484 CG1 ILE A 36 -16.047 3.092 3.697 1.00 0.00 C ATOM 485 CG2 ILE A 36 -15.017 0.955 2.882 1.00 0.00 C ATOM 486 CD1 ILE A 36 -16.320 2.663 5.122 1.00 0.00 C ATOM 0 H ILE A 36 -15.773 0.752 0.156 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.886 3.290 1.161 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.096 1.430 2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.049 3.526 3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.751 3.877 3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.043 0.572 3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.132 0.129 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.063 1.451 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.229 3.523 5.785 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.329 2.256 5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.600 1.900 5.417 1.00 0.00 H new ATOM 498 N GLN A 37 -14.473 4.244 1.560 1.00 0.00 N ATOM 499 CA GLN A 37 -13.189 4.910 1.368 1.00 0.00 C ATOM 500 C GLN A 37 -12.256 4.643 2.545 1.00 0.00 C ATOM 501 O GLN A 37 -12.683 4.633 3.699 1.00 0.00 O ATOM 502 CB GLN A 37 -13.393 6.416 1.194 1.00 0.00 C ATOM 503 CG GLN A 37 -13.659 7.148 2.499 1.00 0.00 C ATOM 504 CD GLN A 37 -15.090 6.992 2.975 1.00 0.00 C ATOM 505 OE1 GLN A 37 -16.003 6.784 2.175 1.00 0.00 O ATOM 506 NE2 GLN A 37 -15.294 7.092 4.283 1.00 0.00 N ATOM 0 H GLN A 37 -15.114 4.735 2.184 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.730 4.506 0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.508 6.842 0.722 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.229 6.585 0.515 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.982 6.772 3.266 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.437 8.207 2.369 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.508 7.265 4.910 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.236 6.996 4.661 1.00 0.00 H new ATOM 515 N GLY A 38 -10.979 4.428 2.244 1.00 0.00 N ATOM 516 CA GLY A 38 -10.006 4.164 3.288 1.00 0.00 C ATOM 517 C GLY A 38 -8.674 4.836 3.022 1.00 0.00 C ATOM 518 O GLY A 38 -8.553 5.655 2.110 1.00 0.00 O ATOM 0 H GLY A 38 -10.601 4.432 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.400 4.510 4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.855 3.088 3.376 1.00 0.00 H new ATOM 522 N THR A 39 -7.669 4.493 3.822 1.00 0.00 N ATOM 523 CA THR A 39 -6.340 5.072 3.671 1.00 0.00 C ATOM 524 C THR A 39 -5.257 4.013 3.843 1.00 0.00 C ATOM 525 O THR A 39 -5.294 3.220 4.784 1.00 0.00 O ATOM 526 CB THR A 39 -6.101 6.204 4.688 1.00 0.00 C ATOM 527 OG1 THR A 39 -7.042 7.262 4.473 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.685 6.746 4.571 1.00 0.00 C ATOM 0 H THR A 39 -7.751 3.817 4.581 1.00 0.00 H new ATOM 0 HA THR A 39 -6.287 5.483 2.663 1.00 0.00 H new ATOM 0 HB THR A 39 -6.235 5.797 5.690 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.885 7.977 5.124 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.540 7.544 5.299 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.972 5.945 4.764 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.527 7.138 3.566 1.00 0.00 H new ATOM 536 N TRP A 40 -4.293 4.006 2.929 1.00 0.00 N ATOM 537 CA TRP A 40 -3.198 3.044 2.981 1.00 0.00 C ATOM 538 C TRP A 40 -2.059 3.562 3.852 1.00 0.00 C ATOM 539 O TRP A 40 -1.889 4.770 4.014 1.00 0.00 O ATOM 540 CB TRP A 40 -2.685 2.748 1.571 1.00 0.00 C ATOM 541 CG TRP A 40 -3.540 1.773 0.820 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.581 2.068 -0.013 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.428 0.346 0.836 1.00 0.00 C ATOM 544 NE1 TRP A 40 -5.123 0.910 -0.517 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.433 -0.160 -0.012 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.576 -0.554 1.481 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.608 -1.525 -0.227 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -2.750 -1.908 1.266 1.00 0.00 C ATOM 549 CH2 TRP A 40 -3.759 -2.383 0.418 1.00 0.00 C ATOM 0 H TRP A 40 -4.247 4.655 2.144 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.577 2.123 3.423 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.630 3.680 1.009 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.670 2.355 1.636 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.928 3.065 -0.242 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.911 0.856 -1.162 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.795 -0.198 2.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.386 -1.893 -0.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.097 -2.612 1.760 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.869 -3.447 0.270 1.00 0.00 H new ATOM 560 N PHE A 41 -1.280 2.641 4.409 1.00 0.00 N ATOM 561 CA PHE A 41 -0.156 3.006 5.265 1.00 0.00 C ATOM 562 C PHE A 41 1.070 2.157 4.943 1.00 0.00 C ATOM 563 O PHE A 41 0.952 1.041 4.434 1.00 0.00 O ATOM 564 CB PHE A 41 -0.534 2.838 6.738 1.00 0.00 C ATOM 565 CG PHE A 41 -1.299 4.004 7.297 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.618 4.222 6.934 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.698 4.881 8.186 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.323 5.294 7.447 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.399 5.955 8.702 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.714 6.161 8.333 1.00 0.00 C ATOM 0 H PHE A 41 -1.406 1.637 4.283 1.00 0.00 H new ATOM 0 HA PHE A 41 0.088 4.052 5.077 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.132 1.934 6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.374 2.695 7.324 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.100 3.547 6.243 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.330 4.724 8.479 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.350 5.454 7.155 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.919 6.632 9.393 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.265 6.998 8.736 1.00 0.00 H new ATOM 580 N LEU A 42 2.248 2.694 5.241 1.00 0.00 N ATOM 581 CA LEU A 42 3.498 1.987 4.984 1.00 0.00 C ATOM 582 C LEU A 42 4.489 2.200 6.124 1.00 0.00 C ATOM 583 O LEU A 42 4.862 3.331 6.432 1.00 0.00 O ATOM 584 CB LEU A 42 4.112 2.460 3.665 1.00 0.00 C ATOM 585 CG LEU A 42 5.334 1.682 3.176 1.00 0.00 C ATOM 586 CD1 LEU A 42 4.905 0.492 2.331 1.00 0.00 C ATOM 587 CD2 LEU A 42 6.264 2.591 2.386 1.00 0.00 C ATOM 0 H LEU A 42 2.364 3.616 5.661 1.00 0.00 H new ATOM 0 HA LEU A 42 3.276 0.922 4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.344 2.414 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.393 3.508 3.773 1.00 0.00 H new ATOM 0 HG LEU A 42 5.875 1.309 4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.788 -0.050 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.279 -0.171 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.341 0.844 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.128 2.020 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.733 2.994 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.598 3.411 3.022 1.00 0.00 H new ATOM 599 N ASN A 43 4.913 1.104 6.745 1.00 0.00 N ATOM 600 CA ASN A 43 5.862 1.171 7.850 1.00 0.00 C ATOM 601 C ASN A 43 5.462 2.255 8.846 1.00 0.00 C ATOM 602 O ASN A 43 6.286 3.072 9.256 1.00 0.00 O ATOM 603 CB ASN A 43 7.272 1.443 7.323 1.00 0.00 C ATOM 604 CG ASN A 43 7.352 2.726 6.519 1.00 0.00 C ATOM 605 OD1 ASN A 43 7.580 2.596 5.218 1.00 0.00 O flip ATOM 606 ND2 ASN A 43 7.209 3.822 7.063 1.00 0.00 N flip ATOM 0 H ASN A 43 4.614 0.159 6.502 1.00 0.00 H new ATOM 0 HA ASN A 43 5.852 0.209 8.363 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.966 1.499 8.162 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.592 0.607 6.701 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.035 3.874 8.067 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.264 4.677 6.510 1.00 0.00 H new ATOM 613 N GLY A 44 4.189 2.256 9.233 1.00 0.00 N ATOM 614 CA GLY A 44 3.702 3.243 10.178 1.00 0.00 C ATOM 615 C GLY A 44 3.345 4.557 9.512 1.00 0.00 C ATOM 616 O GLY A 44 2.452 5.270 9.970 1.00 0.00 O ATOM 0 H GLY A 44 3.487 1.591 8.908 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.824 2.849 10.690 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.463 3.420 10.938 1.00 0.00 H new ATOM 620 N GLU A 45 4.045 4.879 8.429 1.00 0.00 N ATOM 621 CA GLU A 45 3.798 6.118 7.700 1.00 0.00 C ATOM 622 C GLU A 45 2.487 6.040 6.923 1.00 0.00 C ATOM 623 O GLU A 45 1.907 4.965 6.771 1.00 0.00 O ATOM 624 CB GLU A 45 4.955 6.412 6.743 1.00 0.00 C ATOM 625 CG GLU A 45 6.083 7.207 7.379 1.00 0.00 C ATOM 626 CD GLU A 45 5.639 8.580 7.846 1.00 0.00 C ATOM 627 OE1 GLU A 45 5.126 9.353 7.010 1.00 0.00 O ATOM 628 OE2 GLU A 45 5.804 8.881 9.046 1.00 0.00 O ATOM 0 H GLU A 45 4.787 4.300 8.037 1.00 0.00 H new ATOM 0 HA GLU A 45 3.722 6.928 8.426 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.353 5.470 6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.573 6.963 5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.481 6.650 8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.895 7.317 6.660 1.00 0.00 H new ATOM 635 N GLU A 46 2.027 7.187 6.433 1.00 0.00 N ATOM 636 CA GLU A 46 0.785 7.248 5.672 1.00 0.00 C ATOM 637 C GLU A 46 1.052 7.653 4.225 1.00 0.00 C ATOM 638 O GLU A 46 2.003 8.380 3.937 1.00 0.00 O ATOM 639 CB GLU A 46 -0.187 8.237 6.319 1.00 0.00 C ATOM 640 CG GLU A 46 -1.573 8.225 5.695 1.00 0.00 C ATOM 641 CD GLU A 46 -2.421 9.402 6.137 1.00 0.00 C ATOM 642 OE1 GLU A 46 -2.151 9.952 7.225 1.00 0.00 O ATOM 643 OE2 GLU A 46 -3.355 9.772 5.396 1.00 0.00 O ATOM 0 H GLU A 46 2.495 8.086 6.549 1.00 0.00 H new ATOM 0 HA GLU A 46 0.337 6.254 5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.274 8.006 7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.227 9.242 6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.479 8.237 4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.079 7.297 5.961 1.00 0.00 H new ATOM 650 N LEU A 47 0.206 7.176 3.318 1.00 0.00 N ATOM 651 CA LEU A 47 0.350 7.487 1.900 1.00 0.00 C ATOM 652 C LEU A 47 -0.719 8.477 1.448 1.00 0.00 C ATOM 653 O LEU A 47 -1.884 8.367 1.832 1.00 0.00 O ATOM 654 CB LEU A 47 0.263 6.208 1.066 1.00 0.00 C ATOM 655 CG LEU A 47 1.318 5.141 1.360 1.00 0.00 C ATOM 656 CD1 LEU A 47 0.877 3.791 0.817 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.661 5.543 0.768 1.00 0.00 C ATOM 0 H LEU A 47 -0.586 6.573 3.539 1.00 0.00 H new ATOM 0 HA LEU A 47 1.328 7.944 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.722 5.767 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.334 6.480 0.013 1.00 0.00 H new ATOM 0 HG LEU A 47 1.430 5.056 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.640 3.044 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.062 3.499 1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.736 3.861 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.400 4.772 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.563 5.656 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.983 6.489 1.204 1.00 0.00 H new ATOM 910 N ARG A 64 0.518 2.134 -7.305 1.00 0.00 N ATOM 911 CA ARG A 64 -0.790 2.148 -7.948 1.00 0.00 C ATOM 912 C ARG A 64 -1.889 1.783 -6.954 1.00 0.00 C ATOM 913 O ARG A 64 -1.968 0.644 -6.493 1.00 0.00 O ATOM 914 CB ARG A 64 -0.812 1.175 -9.129 1.00 0.00 C ATOM 915 CG ARG A 64 -2.111 1.206 -9.918 1.00 0.00 C ATOM 916 CD ARG A 64 -2.122 0.149 -11.012 1.00 0.00 C ATOM 917 NE ARG A 64 -3.479 -0.188 -11.433 1.00 0.00 N ATOM 918 CZ ARG A 64 -3.755 -0.930 -12.500 1.00 0.00 C ATOM 919 NH1 ARG A 64 -2.772 -1.411 -13.249 1.00 0.00 N ATOM 920 NH2 ARG A 64 -5.015 -1.194 -12.819 1.00 0.00 N ATOM 0 HA ARG A 64 -0.976 3.158 -8.314 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.016 1.410 -9.798 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.645 0.163 -8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.952 1.043 -9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.245 2.192 -10.362 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.555 0.510 -11.870 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.620 -0.750 -10.653 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.258 0.166 -10.877 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.802 -1.212 -13.006 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.986 -1.980 -14.068 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.774 -0.827 -12.245 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.225 -1.764 -13.639 1.00 0.00 H new ATOM 934 N ILE A 65 -2.732 2.757 -6.629 1.00 0.00 N ATOM 935 CA ILE A 65 -3.826 2.538 -5.690 1.00 0.00 C ATOM 936 C ILE A 65 -5.158 2.404 -6.420 1.00 0.00 C ATOM 937 O ILE A 65 -5.654 3.365 -7.007 1.00 0.00 O ATOM 938 CB ILE A 65 -3.927 3.684 -4.666 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.637 3.782 -3.849 1.00 0.00 C ATOM 940 CG2 ILE A 65 -5.125 3.473 -3.752 1.00 0.00 C ATOM 941 CD1 ILE A 65 -2.533 5.053 -3.036 1.00 0.00 C ATOM 0 H ILE A 65 -2.679 3.705 -7.002 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.608 1.609 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.066 4.622 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.575 2.925 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.783 3.721 -4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.183 4.291 -3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.037 3.448 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.014 2.529 -3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.594 5.055 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.563 5.915 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.367 5.107 -2.336 1.00 0.00 H new ATOM 953 N GLU A 66 -5.732 1.206 -6.377 1.00 0.00 N ATOM 954 CA GLU A 66 -7.008 0.947 -7.034 1.00 0.00 C ATOM 955 C GLU A 66 -8.114 0.725 -6.006 1.00 0.00 C ATOM 956 O GLU A 66 -8.029 -0.179 -5.175 1.00 0.00 O ATOM 957 CB GLU A 66 -6.897 -0.272 -7.952 1.00 0.00 C ATOM 958 CG GLU A 66 -5.865 -0.111 -9.056 1.00 0.00 C ATOM 959 CD GLU A 66 -6.427 0.585 -10.281 1.00 0.00 C ATOM 960 OE1 GLU A 66 -6.985 -0.112 -11.154 1.00 0.00 O ATOM 961 OE2 GLU A 66 -6.307 1.825 -10.367 1.00 0.00 O ATOM 0 H GLU A 66 -5.334 0.400 -5.895 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.263 1.821 -7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.642 -1.146 -7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.870 -0.467 -8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.017 0.459 -8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.487 -1.093 -9.341 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.554 -2.412 -3.173 1.00 0.00 N ATOM 1015 CA LEU A 70 -14.915 -3.022 -2.012 1.00 0.00 C ATOM 1016 C LEU A 70 -13.681 -3.817 -2.425 1.00 0.00 C ATOM 1017 O LEU A 70 -13.391 -4.869 -1.856 1.00 0.00 O ATOM 1018 CB LEU A 70 -15.903 -3.933 -1.282 1.00 0.00 C ATOM 1019 CG LEU A 70 -16.916 -4.666 -2.163 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.292 -6.003 -1.544 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.155 -3.808 -2.377 1.00 0.00 C ATOM 0 HA LEU A 70 -14.601 -2.224 -1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.336 -4.675 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.451 -3.333 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.457 -4.854 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.013 -6.510 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.400 -6.621 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.733 -5.838 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.865 -4.345 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.617 -3.589 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.872 -2.875 -2.864 1.00 0.00 H new ATOM 1033 N GLN A 71 -12.957 -3.306 -3.415 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.753 -3.968 -3.902 1.00 0.00 C ATOM 1035 C GLN A 71 -10.572 -3.004 -3.922 1.00 0.00 C ATOM 1036 O GLN A 71 -10.387 -2.251 -4.879 1.00 0.00 O ATOM 1037 CB GLN A 71 -11.989 -4.534 -5.304 1.00 0.00 C ATOM 1038 CG GLN A 71 -11.024 -5.647 -5.680 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.408 -6.339 -6.974 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -11.988 -5.727 -7.870 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -11.084 -7.623 -7.077 1.00 0.00 N ATOM 0 H GLN A 71 -13.183 -2.435 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.518 -4.787 -3.222 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.009 -4.912 -5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.902 -3.727 -6.032 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.020 -5.235 -5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.991 -6.382 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.603 -8.091 -6.309 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.316 -8.141 -7.924 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.773 -3.033 -2.860 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.608 -2.162 -2.755 1.00 0.00 C ATOM 1052 C HIS A 72 -7.334 -2.910 -3.135 1.00 0.00 C ATOM 1053 O HIS A 72 -7.148 -4.068 -2.762 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.484 -1.609 -1.335 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.631 -0.734 -0.931 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -9.535 0.639 -0.842 1.00 0.00 N ATOM 1057 CD2 HIS A 72 -10.904 -1.044 -0.593 1.00 0.00 C ATOM 1058 CE1 HIS A 72 -10.700 1.135 -0.464 1.00 0.00 C ATOM 1059 NE2 HIS A 72 -11.548 0.135 -0.307 1.00 0.00 N ATOM 0 H HIS A 72 -9.911 -3.650 -2.060 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.742 -1.333 -3.449 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.408 -2.441 -0.635 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.558 -1.040 -1.255 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -8.696 1.186 -1.037 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.334 -2.034 -0.555 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.921 2.181 -0.310 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.460 -2.241 -3.880 1.00 0.00 N ATOM 1068 CA ARG A 73 -5.205 -2.843 -4.313 1.00 0.00 C ATOM 1069 C ARG A 73 -4.082 -1.811 -4.323 1.00 0.00 C ATOM 1070 O ARG A 73 -4.240 -0.711 -4.854 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.362 -3.456 -5.705 1.00 0.00 C ATOM 1072 CG ARG A 73 -4.470 -4.664 -5.943 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.494 -5.096 -7.401 1.00 0.00 C ATOM 1074 NE ARG A 73 -4.135 -6.502 -7.561 1.00 0.00 N ATOM 1075 CZ ARG A 73 -4.996 -7.502 -7.413 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -6.260 -7.252 -7.102 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -4.593 -8.756 -7.575 1.00 0.00 N ATOM 0 H ARG A 73 -6.598 -1.281 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.945 -3.630 -3.605 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.402 -3.749 -5.848 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.139 -2.697 -6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.448 -4.426 -5.650 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.798 -5.490 -5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.489 -4.927 -7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.803 -4.478 -7.974 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.170 -6.729 -7.800 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.573 -6.290 -6.976 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.919 -8.022 -6.989 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.621 -8.953 -7.813 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.255 -9.523 -7.461 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.948 -2.172 -3.733 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.797 -1.277 -3.674 1.00 0.00 C ATOM 1093 C LEU A 74 -0.531 -1.985 -4.146 1.00 0.00 C ATOM 1094 O LEU A 74 -0.083 -2.952 -3.530 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.603 -0.758 -2.248 1.00 0.00 C ATOM 1096 CG LEU A 74 -0.378 0.129 -2.018 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -0.609 1.517 -2.593 1.00 0.00 C ATOM 1098 CD2 LEU A 74 -0.052 0.212 -0.534 1.00 0.00 C ATOM 0 H LEU A 74 -2.801 -3.078 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.989 -0.434 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.492 -0.196 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.538 -1.614 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 74 0.473 -0.318 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.273 2.134 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.794 1.441 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.472 1.973 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.822 0.847 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.901 0.635 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.157 -0.787 -0.151 1.00 0.00 H new ATOM 1110 N ILE A 75 0.040 -1.496 -5.242 1.00 0.00 N ATOM 1111 CA ILE A 75 1.256 -2.080 -5.794 1.00 0.00 C ATOM 1112 C ILE A 75 2.414 -1.089 -5.744 1.00 0.00 C ATOM 1113 O ILE A 75 2.267 0.073 -6.125 1.00 0.00 O ATOM 1114 CB ILE A 75 1.049 -2.538 -7.250 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.019 -3.631 -7.317 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.360 -3.035 -7.840 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.431 -3.093 -7.383 1.00 0.00 C ATOM 0 H ILE A 75 -0.320 -0.697 -5.765 1.00 0.00 H new ATOM 0 HA ILE A 75 1.497 -2.947 -5.179 1.00 0.00 H new ATOM 0 HB ILE A 75 0.708 -1.686 -7.838 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.165 -4.254 -8.192 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.076 -4.274 -6.442 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.198 -3.355 -8.869 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.095 -2.231 -7.822 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.728 -3.876 -7.252 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.135 -3.924 -7.428 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.634 -2.494 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.543 -2.473 -8.273 1.00 0.00 H new ATOM 1129 N LEU A 76 3.565 -1.556 -5.275 1.00 0.00 N ATOM 1130 CA LEU A 76 4.751 -0.712 -5.177 1.00 0.00 C ATOM 1131 C LEU A 76 5.855 -1.215 -6.101 1.00 0.00 C ATOM 1132 O LEU A 76 6.593 -2.139 -5.758 1.00 0.00 O ATOM 1133 CB LEU A 76 5.255 -0.673 -3.733 1.00 0.00 C ATOM 1134 CG LEU A 76 4.197 -0.421 -2.659 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.604 -1.071 -1.346 1.00 0.00 C ATOM 1136 CD2 LEU A 76 3.975 1.073 -2.470 1.00 0.00 C ATOM 0 H LEU A 76 3.703 -2.515 -4.956 1.00 0.00 H new ATOM 0 HA LEU A 76 4.476 0.296 -5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.746 -1.621 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.015 0.105 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 76 3.259 -0.869 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.839 -0.881 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.712 -2.146 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.553 -0.653 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.219 1.234 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.909 1.544 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.638 1.512 -3.409 1.00 0.00 H new ATOM 1148 N HIS A 77 5.965 -0.599 -7.273 1.00 0.00 N ATOM 1149 CA HIS A 77 6.982 -0.982 -8.246 1.00 0.00 C ATOM 1150 C HIS A 77 8.346 -0.421 -7.856 1.00 0.00 C ATOM 1151 O HIS A 77 8.467 0.752 -7.502 1.00 0.00 O ATOM 1152 CB HIS A 77 6.595 -0.490 -9.641 1.00 0.00 C ATOM 1153 CG HIS A 77 5.116 -0.440 -9.869 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.175 0.409 -9.393 1.00 0.00 N flip ATOM 1155 CD2 HIS A 77 4.447 -1.340 -10.672 1.00 0.00 C flip ATOM 1156 CE1 HIS A 77 2.967 0.011 -9.913 1.00 0.00 C flip ATOM 1157 NE2 HIS A 77 3.159 -1.046 -10.681 1.00 0.00 N flip ATOM 0 H HIS A 77 5.363 0.168 -7.572 1.00 0.00 H new ATOM 0 HA HIS A 77 7.046 -2.070 -8.258 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.012 0.505 -9.795 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.047 -1.144 -10.386 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.905 -2.157 -11.209 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.015 0.485 -9.724 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.436 -1.550 -11.194 1.00 0.00 H new ATOM 1166 N ALA A 78 9.370 -1.266 -7.923 1.00 0.00 N ATOM 1167 CA ALA A 78 10.725 -0.853 -7.578 1.00 0.00 C ATOM 1168 C ALA A 78 10.867 -0.638 -6.075 1.00 0.00 C ATOM 1169 O ALA A 78 11.280 0.431 -5.627 1.00 0.00 O ATOM 1170 CB ALA A 78 11.098 0.414 -8.332 1.00 0.00 C ATOM 0 H ALA A 78 9.287 -2.240 -8.213 1.00 0.00 H new ATOM 0 HA ALA A 78 11.408 -1.651 -7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.112 0.711 -8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.045 0.228 -9.405 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.405 1.212 -8.068 1.00 0.00 H new ATOM 1176 N VAL A 79 10.522 -1.662 -5.300 1.00 0.00 N ATOM 1177 CA VAL A 79 10.612 -1.585 -3.847 1.00 0.00 C ATOM 1178 C VAL A 79 12.065 -1.589 -3.386 1.00 0.00 C ATOM 1179 O VAL A 79 12.819 -2.518 -3.678 1.00 0.00 O ATOM 1180 CB VAL A 79 9.869 -2.755 -3.176 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.376 -2.672 -3.458 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.435 -4.086 -3.647 1.00 0.00 C ATOM 0 H VAL A 79 10.178 -2.554 -5.655 1.00 0.00 H new ATOM 0 HA VAL A 79 10.142 -0.648 -3.550 1.00 0.00 H new ATOM 0 HB VAL A 79 10.016 -2.685 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.868 -3.507 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.983 -1.733 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.206 -2.716 -4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.898 -4.902 -3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.321 -4.168 -4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.492 -4.144 -3.388 1.00 0.00 H new ATOM 1192 N LYS A 80 12.453 -0.545 -2.662 1.00 0.00 N ATOM 1193 CA LYS A 80 13.816 -0.427 -2.157 1.00 0.00 C ATOM 1194 C LYS A 80 14.005 -1.269 -0.899 1.00 0.00 C ATOM 1195 O LYS A 80 13.075 -1.444 -0.112 1.00 0.00 O ATOM 1196 CB LYS A 80 14.146 1.037 -1.858 1.00 0.00 C ATOM 1197 CG LYS A 80 14.365 1.879 -3.104 1.00 0.00 C ATOM 1198 CD LYS A 80 13.051 2.395 -3.666 1.00 0.00 C ATOM 1199 CE LYS A 80 12.531 3.580 -2.868 1.00 0.00 C ATOM 1200 NZ LYS A 80 11.238 4.087 -3.407 1.00 0.00 N ATOM 0 H LYS A 80 11.842 0.233 -2.411 1.00 0.00 H new ATOM 0 HA LYS A 80 14.495 -0.796 -2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.335 1.472 -1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.042 1.079 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.015 2.721 -2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.877 1.285 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.189 2.688 -4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.311 1.595 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.400 3.287 -1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.270 4.381 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.917 4.895 -2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.368 4.390 -4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.525 3.331 -3.369 1.00 0.00 H new ATOM 1214 N HIS A 81 15.215 -1.787 -0.716 1.00 0.00 N ATOM 1215 CA HIS A 81 15.527 -2.609 0.448 1.00 0.00 C ATOM 1216 C HIS A 81 15.539 -1.767 1.720 1.00 0.00 C ATOM 1217 O HIS A 81 15.109 -2.221 2.780 1.00 0.00 O ATOM 1218 CB HIS A 81 16.879 -3.298 0.265 1.00 0.00 C ATOM 1219 CG HIS A 81 17.372 -3.988 1.500 1.00 0.00 C ATOM 1220 ND1 HIS A 81 16.779 -5.121 2.016 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.408 -3.700 2.322 1.00 0.00 C ATOM 1222 CE1 HIS A 81 17.429 -5.500 3.102 1.00 0.00 C ATOM 1223 NE2 HIS A 81 18.422 -4.654 3.309 1.00 0.00 N ATOM 0 H HIS A 81 15.996 -1.652 -1.359 1.00 0.00 H new ATOM 0 HA HIS A 81 14.751 -3.369 0.544 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.800 -4.027 -0.541 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.616 -2.557 -0.046 1.00 0.00 H new ATOM 0 HD1 HIS A 81 15.966 -5.593 1.621 1.00 0.00 H new ATOM 0 HD2 HIS A 81 19.096 -2.873 2.220 1.00 0.00 H new ATOM 0 HE1 HIS A 81 17.189 -6.356 3.716 1.00 0.00 H new ATOM 1232 N GLN A 82 16.036 -0.539 1.607 1.00 0.00 N ATOM 1233 CA GLN A 82 16.106 0.365 2.749 1.00 0.00 C ATOM 1234 C GLN A 82 14.794 0.361 3.527 1.00 0.00 C ATOM 1235 O GLN A 82 14.757 0.726 4.702 1.00 0.00 O ATOM 1236 CB GLN A 82 16.432 1.785 2.283 1.00 0.00 C ATOM 1237 CG GLN A 82 15.339 2.412 1.432 1.00 0.00 C ATOM 1238 CD GLN A 82 15.814 3.644 0.688 1.00 0.00 C ATOM 1239 OE1 GLN A 82 16.937 3.686 0.186 1.00 0.00 O ATOM 1240 NE2 GLN A 82 14.958 4.657 0.614 1.00 0.00 N ATOM 0 H GLN A 82 16.396 -0.148 0.737 1.00 0.00 H new ATOM 0 HA GLN A 82 16.900 0.016 3.409 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.607 2.414 3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.360 1.767 1.712 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.975 1.676 0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.496 2.679 2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.037 4.579 1.045 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.222 5.513 0.126 1.00 0.00 H new ATOM 1249 N ASP A 83 13.720 -0.054 2.865 1.00 0.00 N ATOM 1250 CA ASP A 83 12.406 -0.106 3.494 1.00 0.00 C ATOM 1251 C ASP A 83 11.993 -1.549 3.771 1.00 0.00 C ATOM 1252 O ASP A 83 10.813 -1.892 3.699 1.00 0.00 O ATOM 1253 CB ASP A 83 11.364 0.574 2.606 1.00 0.00 C ATOM 1254 CG ASP A 83 10.229 1.183 3.406 1.00 0.00 C ATOM 1255 OD1 ASP A 83 10.508 1.797 4.458 1.00 0.00 O ATOM 1256 OD2 ASP A 83 9.064 1.047 2.981 1.00 0.00 O ATOM 0 H ASP A 83 13.734 -0.360 1.892 1.00 0.00 H new ATOM 0 HA ASP A 83 12.464 0.425 4.444 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.847 1.353 2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.959 -0.154 1.903 1.00 0.00 H new ATOM 1261 N SER A 84 12.973 -2.389 4.088 1.00 0.00 N ATOM 1262 CA SER A 84 12.712 -3.796 4.371 1.00 0.00 C ATOM 1263 C SER A 84 11.661 -3.944 5.466 1.00 0.00 C ATOM 1264 O SER A 84 11.629 -3.168 6.420 1.00 0.00 O ATOM 1265 CB SER A 84 14.004 -4.501 4.789 1.00 0.00 C ATOM 1266 OG SER A 84 14.448 -4.044 6.054 1.00 0.00 O ATOM 0 H SER A 84 13.955 -2.120 4.155 1.00 0.00 H new ATOM 0 HA SER A 84 12.331 -4.260 3.461 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.839 -5.578 4.825 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.778 -4.322 4.042 1.00 0.00 H new ATOM 0 HG SER A 84 15.274 -4.511 6.299 1.00 0.00 H new ATOM 1272 N GLY A 85 10.801 -4.947 5.321 1.00 0.00 N ATOM 1273 CA GLY A 85 9.759 -5.179 6.304 1.00 0.00 C ATOM 1274 C GLY A 85 8.816 -4.000 6.439 1.00 0.00 C ATOM 1275 O GLY A 85 8.463 -3.604 7.550 1.00 0.00 O ATOM 0 H GLY A 85 10.807 -5.603 4.540 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.190 -6.065 6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.216 -5.387 7.271 1.00 0.00 H new ATOM 1279 N ALA A 86 8.408 -3.437 5.307 1.00 0.00 N ATOM 1280 CA ALA A 86 7.501 -2.297 5.304 1.00 0.00 C ATOM 1281 C ALA A 86 6.111 -2.700 5.786 1.00 0.00 C ATOM 1282 O ALA A 86 5.523 -3.659 5.285 1.00 0.00 O ATOM 1283 CB ALA A 86 7.422 -1.689 3.911 1.00 0.00 C ATOM 0 H ALA A 86 8.692 -3.752 4.379 1.00 0.00 H new ATOM 0 HA ALA A 86 7.894 -1.550 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.741 -0.838 3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.413 -1.356 3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.056 -2.437 3.208 1.00 0.00 H new ATOM 1289 N LEU A 87 5.592 -1.963 6.762 1.00 0.00 N ATOM 1290 CA LEU A 87 4.271 -2.244 7.313 1.00 0.00 C ATOM 1291 C LEU A 87 3.174 -1.696 6.405 1.00 0.00 C ATOM 1292 O LEU A 87 2.813 -0.522 6.490 1.00 0.00 O ATOM 1293 CB LEU A 87 4.141 -1.638 8.712 1.00 0.00 C ATOM 1294 CG LEU A 87 3.218 -2.379 9.681 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.854 -2.606 9.049 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.840 -3.702 10.103 1.00 0.00 C ATOM 0 H LEU A 87 6.066 -1.166 7.188 1.00 0.00 H new ATOM 0 HA LEU A 87 4.155 -3.326 7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.135 -1.585 9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.782 -0.614 8.611 1.00 0.00 H new ATOM 0 HG LEU A 87 3.085 -1.763 10.571 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.210 -3.134 9.752 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.405 -1.645 8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.967 -3.202 8.143 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.170 -4.216 10.792 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.003 -4.325 9.223 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.794 -3.515 10.596 1.00 0.00 H new ATOM 1308 N VAL A 88 2.647 -2.554 5.538 1.00 0.00 N ATOM 1309 CA VAL A 88 1.589 -2.158 4.616 1.00 0.00 C ATOM 1310 C VAL A 88 0.215 -2.517 5.170 1.00 0.00 C ATOM 1311 O VAL A 88 -0.134 -3.692 5.278 1.00 0.00 O ATOM 1312 CB VAL A 88 1.766 -2.823 3.239 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.745 -2.283 2.249 1.00 0.00 C ATOM 1314 CG2 VAL A 88 3.182 -2.614 2.724 1.00 0.00 C ATOM 0 H VAL A 88 2.936 -3.529 5.455 1.00 0.00 H new ATOM 0 HA VAL A 88 1.659 -1.077 4.499 1.00 0.00 H new ATOM 0 HB VAL A 88 1.598 -3.894 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.886 -2.765 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.261 -2.490 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.877 -1.206 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.289 -3.091 1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.381 -1.546 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.892 -3.055 3.423 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.562 -1.497 5.520 1.00 0.00 N ATOM 1325 CA GLY A 89 -1.890 -1.726 6.058 1.00 0.00 C ATOM 1326 C GLY A 89 -2.915 -0.754 5.506 1.00 0.00 C ATOM 1327 O GLY A 89 -2.566 0.338 5.056 1.00 0.00 O ATOM 0 H GLY A 89 -0.295 -0.516 5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.201 -2.745 5.829 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.859 -1.638 7.144 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.182 -1.152 5.538 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.261 -0.310 5.034 1.00 0.00 C ATOM 1333 C PHE A 90 -6.222 0.072 6.156 1.00 0.00 C ATOM 1334 O PHE A 90 -7.009 -0.752 6.621 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.022 -1.031 3.920 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.407 -0.496 3.697 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -7.623 0.572 2.840 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -8.495 -1.061 4.343 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -8.897 1.066 2.634 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -9.771 -0.571 4.140 1.00 0.00 C ATOM 1341 CZ PHE A 90 -9.972 0.493 3.284 1.00 0.00 C ATOM 0 H PHE A 90 -4.487 -2.052 5.908 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.819 0.601 4.631 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.456 -0.949 2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.086 -2.092 4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.786 1.023 2.328 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.344 -1.894 5.013 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.052 1.900 1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.610 -1.020 4.651 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.969 0.877 3.123 1.00 0.00 H new ATOM 1351 N SER A 91 -6.149 1.328 6.587 1.00 0.00 N ATOM 1352 CA SER A 91 -7.009 1.819 7.658 1.00 0.00 C ATOM 1353 C SER A 91 -8.283 2.438 7.091 1.00 0.00 C ATOM 1354 O SER A 91 -8.231 3.283 6.197 1.00 0.00 O ATOM 1355 CB SER A 91 -6.263 2.850 8.507 1.00 0.00 C ATOM 1356 OG SER A 91 -6.051 4.049 7.784 1.00 0.00 O ATOM 0 H SER A 91 -5.504 2.023 6.211 1.00 0.00 H new ATOM 0 HA SER A 91 -7.285 0.972 8.286 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.834 3.063 9.411 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.305 2.439 8.825 1.00 0.00 H new ATOM 0 HG SER A 91 -5.134 4.361 7.930 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.425 2.010 7.617 1.00 0.00 N ATOM 1363 CA CYS A 92 -10.714 2.520 7.163 1.00 0.00 C ATOM 1364 C CYS A 92 -11.730 2.521 8.302 1.00 0.00 C ATOM 1365 O CYS A 92 -11.604 1.784 9.279 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.238 1.680 5.998 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.315 0.316 6.496 1.00 0.00 S ATOM 0 H CYS A 92 -9.485 1.311 8.358 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.571 3.547 6.825 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -11.784 2.329 5.313 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.390 1.276 5.445 1.00 0.00 H new ATOM 0 HG CYS A 92 -12.708 -0.334 5.441 1.00 0.00 H new ATOM 1373 N PRO A 93 -12.760 3.371 8.175 1.00 0.00 N ATOM 1374 CA PRO A 93 -13.817 3.489 9.184 1.00 0.00 C ATOM 1375 C PRO A 93 -14.712 2.256 9.234 1.00 0.00 C ATOM 1376 O PRO A 93 -15.817 2.257 8.694 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.614 4.711 8.721 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.373 4.786 7.253 1.00 0.00 C ATOM 1379 CD PRO A 93 -12.974 4.280 7.037 1.00 0.00 C ATOM 0 HA PRO A 93 -13.410 3.585 10.191 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.675 4.599 8.943 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.277 5.617 9.224 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.096 4.180 6.707 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.478 5.809 6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -12.878 3.760 6.084 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.249 5.094 7.031 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.227 1.204 9.887 1.00 0.00 N ATOM 1388 CA GLY A 94 -14.997 -0.021 9.995 1.00 0.00 C ATOM 1389 C GLY A 94 -14.123 -1.260 9.962 1.00 0.00 C ATOM 1390 O GLY A 94 -14.561 -2.348 10.337 1.00 0.00 O ATOM 0 H GLY A 94 -13.315 1.179 10.343 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.568 -0.007 10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.718 -0.067 9.179 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.884 -1.096 9.511 1.00 0.00 N ATOM 1395 CA VAL A 95 -11.946 -2.210 9.430 1.00 0.00 C ATOM 1396 C VAL A 95 -10.526 -1.757 9.747 1.00 0.00 C ATOM 1397 O VAL A 95 -10.143 -0.627 9.445 1.00 0.00 O ATOM 1398 CB VAL A 95 -11.966 -2.860 8.033 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -10.841 -3.875 7.900 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.316 -3.510 7.768 1.00 0.00 C ATOM 0 H VAL A 95 -12.506 -0.203 9.196 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.263 -2.945 10.170 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.810 -2.081 7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -10.871 -4.324 6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.882 -3.377 8.044 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.962 -4.653 8.653 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.313 -3.964 6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.504 -4.278 8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.100 -2.754 7.818 1.00 0.00 H new ATOM 1410 N GLN A 96 -9.749 -2.646 10.357 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.370 -2.337 10.715 1.00 0.00 C ATOM 1412 C GLN A 96 -7.480 -3.567 10.566 1.00 0.00 C ATOM 1413 O GLN A 96 -7.571 -4.510 11.351 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.299 -1.813 12.150 1.00 0.00 C ATOM 1415 CG GLN A 96 -9.189 -0.606 12.402 1.00 0.00 C ATOM 1416 CD GLN A 96 -9.056 -0.067 13.813 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -9.722 -0.539 14.735 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -8.193 0.926 13.989 1.00 0.00 N ATOM 0 H GLN A 96 -10.051 -3.586 10.614 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.009 -1.565 10.035 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.583 -2.612 12.834 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.267 -1.548 12.380 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.937 0.181 11.691 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.228 -0.881 12.218 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.662 1.287 13.196 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.061 1.329 14.917 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.620 -3.549 9.553 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.713 -4.662 9.301 1.00 0.00 C ATOM 1429 C ASP A 97 -4.407 -4.170 8.685 1.00 0.00 C ATOM 1430 O ASP A 97 -4.330 -3.049 8.182 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.373 -5.686 8.376 1.00 0.00 C ATOM 1432 CG ASP A 97 -5.734 -7.057 8.481 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -5.946 -7.735 9.508 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -5.022 -7.453 7.535 1.00 0.00 O ATOM 0 H ASP A 97 -6.532 -2.776 8.894 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.487 -5.138 10.255 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.432 -5.762 8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.308 -5.336 7.346 1.00 0.00 H new ATOM 1439 N SER A 98 -3.382 -5.015 8.730 1.00 0.00 N ATOM 1440 CA SER A 98 -2.077 -4.664 8.182 1.00 0.00 C ATOM 1441 C SER A 98 -1.285 -5.917 7.820 1.00 0.00 C ATOM 1442 O SER A 98 -1.643 -7.027 8.215 1.00 0.00 O ATOM 1443 CB SER A 98 -1.289 -3.820 9.185 1.00 0.00 C ATOM 1444 OG SER A 98 -0.910 -4.590 10.313 1.00 0.00 O ATOM 0 H SER A 98 -3.430 -5.948 9.140 1.00 0.00 H new ATOM 0 HA SER A 98 -2.236 -4.081 7.275 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.400 -3.413 8.703 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.894 -2.972 9.506 1.00 0.00 H new ATOM 0 HG SER A 98 -0.406 -4.028 10.938 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.207 -5.731 7.067 1.00 0.00 N ATOM 1451 CA ALA A 99 0.638 -6.844 6.653 1.00 0.00 C ATOM 1452 C ALA A 99 2.116 -6.502 6.813 1.00 0.00 C ATOM 1453 O ALA A 99 2.464 -5.403 7.244 1.00 0.00 O ATOM 1454 CB ALA A 99 0.336 -7.229 5.212 1.00 0.00 C ATOM 0 H ALA A 99 0.102 -4.819 6.731 1.00 0.00 H new ATOM 0 HA ALA A 99 0.417 -7.694 7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.974 -8.061 4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.709 -7.525 5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.526 -6.376 4.560 1.00 0.00 H new ATOM 1460 N ALA A 100 2.979 -7.449 6.462 1.00 0.00 N ATOM 1461 CA ALA A 100 4.419 -7.246 6.566 1.00 0.00 C ATOM 1462 C ALA A 100 5.104 -7.480 5.224 1.00 0.00 C ATOM 1463 O ALA A 100 5.118 -8.599 4.709 1.00 0.00 O ATOM 1464 CB ALA A 100 5.006 -8.164 7.627 1.00 0.00 C ATOM 0 H ALA A 100 2.707 -8.364 6.103 1.00 0.00 H new ATOM 0 HA ALA A 100 4.595 -6.211 6.859 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.082 -8.002 7.694 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.546 -7.947 8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.812 -9.202 7.358 1.00 0.00 H new ATOM 1470 N LEU A 101 5.670 -6.419 4.661 1.00 0.00 N ATOM 1471 CA LEU A 101 6.357 -6.509 3.377 1.00 0.00 C ATOM 1472 C LEU A 101 7.860 -6.682 3.574 1.00 0.00 C ATOM 1473 O LEU A 101 8.566 -5.734 3.921 1.00 0.00 O ATOM 1474 CB LEU A 101 6.082 -5.258 2.541 1.00 0.00 C ATOM 1475 CG LEU A 101 7.050 -4.996 1.386 1.00 0.00 C ATOM 1476 CD1 LEU A 101 6.862 -6.032 0.288 1.00 0.00 C ATOM 1477 CD2 LEU A 101 6.856 -3.591 0.835 1.00 0.00 C ATOM 0 H LEU A 101 5.667 -5.486 5.073 1.00 0.00 H new ATOM 0 HA LEU A 101 5.975 -7.383 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.074 -5.332 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.096 -4.393 3.203 1.00 0.00 H new ATOM 0 HG LEU A 101 8.069 -5.078 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.559 -5.830 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.052 -7.027 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.840 -5.982 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.553 -3.423 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.834 -3.480 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.041 -2.862 1.624 1.00 0.00 H new ATOM 1489 N THR A 102 8.345 -7.899 3.349 1.00 0.00 N ATOM 1490 CA THR A 102 9.763 -8.197 3.501 1.00 0.00 C ATOM 1491 C THR A 102 10.512 -7.990 2.189 1.00 0.00 C ATOM 1492 O THR A 102 10.032 -8.376 1.123 1.00 0.00 O ATOM 1493 CB THR A 102 9.985 -9.643 3.983 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.376 -9.832 5.265 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.470 -9.963 4.069 1.00 0.00 C ATOM 0 H THR A 102 7.776 -8.695 3.061 1.00 0.00 H new ATOM 0 HA THR A 102 10.152 -7.508 4.251 1.00 0.00 H new ATOM 0 HB THR A 102 9.525 -10.317 3.261 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.520 -10.754 5.563 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.602 -10.989 4.412 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.925 -9.848 3.085 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.949 -9.282 4.772 1.00 0.00 H new ATOM 1503 N ILE A 103 11.689 -7.380 2.275 1.00 0.00 N ATOM 1504 CA ILE A 103 12.504 -7.124 1.095 1.00 0.00 C ATOM 1505 C ILE A 103 13.939 -7.596 1.304 1.00 0.00 C ATOM 1506 O ILE A 103 14.676 -7.032 2.113 1.00 0.00 O ATOM 1507 CB ILE A 103 12.516 -5.627 0.732 1.00 0.00 C ATOM 1508 CG1 ILE A 103 11.085 -5.100 0.605 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.287 -5.401 -0.560 1.00 0.00 C ATOM 1510 CD1 ILE A 103 10.969 -3.609 0.832 1.00 0.00 C ATOM 0 H ILE A 103 12.099 -7.054 3.150 1.00 0.00 H new ATOM 0 HA ILE A 103 12.055 -7.685 0.275 1.00 0.00 H new ATOM 0 HB ILE A 103 13.016 -5.078 1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.705 -5.339 -0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.450 -5.619 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.286 -4.338 -0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.314 -5.744 -0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.814 -5.958 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 103 9.928 -3.305 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.318 -3.365 1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.577 -3.081 0.098 1.00 0.00 H new ATOM 1522 N GLN A 104 14.329 -8.632 0.569 1.00 0.00 N ATOM 1523 CA GLN A 104 15.676 -9.179 0.674 1.00 0.00 C ATOM 1524 C GLN A 104 16.652 -8.395 -0.199 1.00 0.00 C ATOM 1525 O GLN A 104 16.242 -7.668 -1.103 1.00 0.00 O ATOM 1526 CB GLN A 104 15.684 -10.654 0.269 1.00 0.00 C ATOM 1527 CG GLN A 104 14.786 -11.526 1.132 1.00 0.00 C ATOM 1528 CD GLN A 104 15.440 -11.920 2.442 1.00 0.00 C ATOM 1529 OE1 GLN A 104 16.500 -12.546 2.457 1.00 0.00 O ATOM 1530 NE2 GLN A 104 14.809 -11.553 3.552 1.00 0.00 N ATOM 0 H GLN A 104 13.731 -9.109 -0.106 1.00 0.00 H new ATOM 0 HA GLN A 104 15.995 -9.093 1.713 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.368 -10.739 -0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.705 -11.032 0.324 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.858 -10.992 1.339 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.519 -12.426 0.578 1.00 0.00 H new ATOM 0 HE21 GLN A 104 13.932 -11.035 3.493 1.00 0.00 H new ATOM 0 HE22 GLN A 104 15.201 -11.789 4.463 1.00 0.00 H new ATOM 1539 N GLU A 105 17.942 -8.549 0.080 1.00 0.00 N ATOM 1540 CA GLU A 105 18.975 -7.854 -0.680 1.00 0.00 C ATOM 1541 C GLU A 105 19.200 -8.524 -2.032 1.00 0.00 C ATOM 1542 O GLU A 105 19.393 -9.738 -2.111 1.00 0.00 O ATOM 1543 CB GLU A 105 20.285 -7.821 0.110 1.00 0.00 C ATOM 1544 CG GLU A 105 20.144 -7.218 1.498 1.00 0.00 C ATOM 1545 CD GLU A 105 19.807 -8.254 2.552 1.00 0.00 C ATOM 1546 OE1 GLU A 105 20.107 -9.446 2.332 1.00 0.00 O ATOM 1547 OE2 GLU A 105 19.242 -7.872 3.599 1.00 0.00 O ATOM 0 H GLU A 105 18.297 -9.148 0.826 1.00 0.00 H new ATOM 0 HA GLU A 105 18.637 -6.832 -0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.670 -8.837 0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 105 21.024 -7.250 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 105 21.074 -6.718 1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.365 -6.455 1.481 1.00 0.00 H new