USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 639 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 32 SER OG : rot -61:sc= 1.19 USER MOD Set 1.2: A 80 SER OG : rot -169:sc= 1.23 USER MOD Set 2.1: A 36 THR OG1 : rot 1:sc= 0.649! USER MOD Set 2.2: A 37 HIS : no HD1:sc= -8.16! C(o=-7.5!,f=-8.9!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.186 X(o=-0.19,f=-0.071) USER MOD Single : A 28 THR OG1 : rot -30:sc= 0.253 USER MOD Single : A 30 GLN : amide:sc= -1.07 K(o=-1.1,f=-1.8) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.937 USER MOD Single : A 43 SER OG : rot 180:sc= -0.367 USER MOD Single : A 57 GLN : amide:sc=-0.00646 X(o=-0.0065,f=0) USER MOD Single : A 74 TYR OH : rot 120:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN :FLIP amide:sc= -1.61 F(o=-4.3!,f=-1.6) USER MOD Single : A 87 SER OG : rot 129:sc= 0.874 USER MOD Single : A 96 THR OG1 : rot 159:sc= 0.335 USER MOD Single : A 98 THR OG1 : rot 48:sc= 0.224 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 9 4.925 -18.130 -0.060 1.00 0.00 N ATOM 81 CA LEU A 9 5.273 -16.730 -0.274 1.00 0.00 C ATOM 82 C LEU A 9 4.790 -15.865 0.885 1.00 0.00 C ATOM 83 O LEU A 9 3.622 -15.482 0.962 1.00 0.00 O ATOM 84 CB LEU A 9 4.668 -16.228 -1.586 1.00 0.00 C ATOM 85 CG LEU A 9 5.450 -15.132 -2.311 1.00 0.00 C ATOM 86 CD1 LEU A 9 6.874 -15.588 -2.591 1.00 0.00 C ATOM 87 CD2 LEU A 9 4.749 -14.742 -3.604 1.00 0.00 C ATOM 0 HA LEU A 9 6.359 -16.656 -0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.561 -17.077 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.665 -15.855 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 9 5.492 -14.255 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.415 -14.795 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.375 -15.816 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.854 -16.480 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.320 -13.961 -4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.675 -15.613 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.749 -14.372 -3.378 1.00 0.00 H new ATOM 99 N PRO A 10 5.708 -15.547 1.810 1.00 0.00 N ATOM 100 CA PRO A 10 5.400 -14.721 2.981 1.00 0.00 C ATOM 101 C PRO A 10 5.127 -13.268 2.610 1.00 0.00 C ATOM 102 O PRO A 10 6.023 -12.527 2.203 1.00 0.00 O ATOM 103 CB PRO A 10 6.666 -14.827 3.834 1.00 0.00 C ATOM 104 CG PRO A 10 7.753 -15.135 2.862 1.00 0.00 C ATOM 105 CD PRO A 10 7.119 -15.969 1.783 1.00 0.00 C ATOM 0 HA PRO A 10 4.497 -15.058 3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.863 -13.897 4.367 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.573 -15.611 4.585 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.178 -14.220 2.449 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.567 -15.675 3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.576 -15.783 0.811 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.224 -17.035 1.985 1.00 0.00 H new ATOM 113 N PRO A 11 3.862 -12.846 2.753 1.00 0.00 N ATOM 114 CA PRO A 11 3.443 -11.477 2.440 1.00 0.00 C ATOM 115 C PRO A 11 3.998 -10.460 3.431 1.00 0.00 C ATOM 116 O PRO A 11 4.562 -10.810 4.467 1.00 0.00 O ATOM 117 CB PRO A 11 1.917 -11.542 2.537 1.00 0.00 C ATOM 118 CG PRO A 11 1.644 -12.674 3.466 1.00 0.00 C ATOM 119 CD PRO A 11 2.743 -13.674 3.234 1.00 0.00 C ATOM 0 HA PRO A 11 3.808 -11.152 1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.505 -10.608 2.919 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.465 -11.714 1.560 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.637 -12.336 4.502 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.667 -13.115 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.002 -14.206 4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.454 -14.425 2.499 1.00 0.00 H new ATOM 127 N PRO A 12 3.834 -9.168 3.108 1.00 0.00 N ATOM 128 CA PRO A 12 4.310 -8.073 3.958 1.00 0.00 C ATOM 129 C PRO A 12 3.511 -7.953 5.251 1.00 0.00 C ATOM 130 O PRO A 12 2.284 -7.858 5.227 1.00 0.00 O ATOM 131 CB PRO A 12 4.106 -6.832 3.086 1.00 0.00 C ATOM 132 CG PRO A 12 3.010 -7.204 2.148 1.00 0.00 C ATOM 133 CD PRO A 12 3.170 -8.677 1.889 1.00 0.00 C ATOM 0 HA PRO A 12 5.342 -8.223 4.275 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.834 -5.965 3.688 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.017 -6.573 2.547 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.034 -6.988 2.583 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.079 -6.635 1.221 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.208 -9.164 1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.772 -8.866 1.000 1.00 0.00 H new ATOM 141 N ARG A 13 4.214 -7.958 6.379 1.00 0.00 N ATOM 142 CA ARG A 13 3.569 -7.851 7.682 1.00 0.00 C ATOM 143 C ARG A 13 3.950 -6.543 8.371 1.00 0.00 C ATOM 144 O ARG A 13 3.106 -5.876 8.969 1.00 0.00 O ATOM 145 CB ARG A 13 3.957 -9.037 8.566 1.00 0.00 C ATOM 146 CG ARG A 13 5.355 -9.568 8.295 1.00 0.00 C ATOM 147 CD ARG A 13 5.582 -10.911 8.970 1.00 0.00 C ATOM 148 NE ARG A 13 5.587 -10.798 10.426 1.00 0.00 N ATOM 149 CZ ARG A 13 5.691 -11.840 11.244 1.00 0.00 C ATOM 150 NH1 ARG A 13 5.799 -13.066 10.751 1.00 0.00 N ATOM 151 NH2 ARG A 13 5.688 -11.656 12.558 1.00 0.00 N ATOM 0 H ARG A 13 5.230 -8.035 6.417 1.00 0.00 H new ATOM 0 HA ARG A 13 2.490 -7.860 7.527 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.888 -8.738 9.612 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.237 -9.841 8.417 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.504 -9.670 7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.093 -8.850 8.653 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.802 -11.607 8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.532 -11.329 8.636 1.00 0.00 H new ATOM 0 HE ARG A 13 5.506 -9.868 10.838 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.802 -13.211 9.741 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.879 -13.864 11.381 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.606 -10.714 12.941 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.768 -12.456 13.185 1.00 0.00 H new ATOM 165 N ALA A 14 5.227 -6.184 8.283 1.00 0.00 N ATOM 166 CA ALA A 14 5.719 -4.957 8.896 1.00 0.00 C ATOM 167 C ALA A 14 5.294 -3.733 8.092 1.00 0.00 C ATOM 168 O ALA A 14 6.132 -2.946 7.650 1.00 0.00 O ATOM 169 CB ALA A 14 7.234 -5.004 9.029 1.00 0.00 C ATOM 0 H ALA A 14 5.939 -6.726 7.793 1.00 0.00 H new ATOM 0 HA ALA A 14 5.281 -4.876 9.891 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.588 -4.081 9.488 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.518 -5.852 9.652 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.683 -5.113 8.042 1.00 0.00 H new ATOM 175 N LEU A 15 3.988 -3.578 7.906 1.00 0.00 N ATOM 176 CA LEU A 15 3.451 -2.449 7.154 1.00 0.00 C ATOM 177 C LEU A 15 3.357 -1.205 8.033 1.00 0.00 C ATOM 178 O LEU A 15 2.544 -1.143 8.956 1.00 0.00 O ATOM 179 CB LEU A 15 2.072 -2.795 6.591 1.00 0.00 C ATOM 180 CG LEU A 15 2.060 -3.629 5.310 1.00 0.00 C ATOM 181 CD1 LEU A 15 2.481 -5.061 5.602 1.00 0.00 C ATOM 182 CD2 LEU A 15 0.682 -3.597 4.665 1.00 0.00 C ATOM 0 H LEU A 15 3.281 -4.220 8.265 1.00 0.00 H new ATOM 0 HA LEU A 15 4.131 -2.238 6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.514 -3.334 7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.536 -1.865 6.400 1.00 0.00 H new ATOM 0 HG LEU A 15 2.776 -3.197 4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.467 -5.640 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.488 -5.066 6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.790 -5.504 6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.692 -4.196 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.054 -4.004 5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.419 -2.568 4.419 1.00 0.00 H new ATOM 194 N THR A 16 4.193 -0.214 7.738 1.00 0.00 N ATOM 195 CA THR A 16 4.203 1.029 8.499 1.00 0.00 C ATOM 196 C THR A 16 4.151 2.240 7.576 1.00 0.00 C ATOM 197 O THR A 16 4.808 2.268 6.534 1.00 0.00 O ATOM 198 CB THR A 16 5.455 1.131 9.391 1.00 0.00 C ATOM 199 OG1 THR A 16 5.543 -0.016 10.244 1.00 0.00 O ATOM 200 CG2 THR A 16 5.416 2.396 10.236 1.00 0.00 C ATOM 0 H THR A 16 4.872 -0.248 6.977 1.00 0.00 H new ATOM 0 HA THR A 16 3.315 1.020 9.131 1.00 0.00 H new ATOM 0 HB THR A 16 6.332 1.171 8.745 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.342 0.055 10.807 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.310 2.446 10.857 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.378 3.268 9.584 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.532 2.381 10.873 1.00 0.00 H new ATOM 208 N LEU A 17 3.368 3.241 7.963 1.00 0.00 N ATOM 209 CA LEU A 17 3.231 4.457 7.169 1.00 0.00 C ATOM 210 C LEU A 17 4.401 5.404 7.418 1.00 0.00 C ATOM 211 O LEU A 17 4.462 6.074 8.448 1.00 0.00 O ATOM 212 CB LEU A 17 1.913 5.159 7.499 1.00 0.00 C ATOM 213 CG LEU A 17 1.354 6.080 6.414 1.00 0.00 C ATOM 214 CD1 LEU A 17 0.437 5.308 5.478 1.00 0.00 C ATOM 215 CD2 LEU A 17 0.614 7.254 7.040 1.00 0.00 C ATOM 0 H LEU A 17 2.818 3.235 8.822 1.00 0.00 H new ATOM 0 HA LEU A 17 3.232 4.176 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.165 4.398 7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.054 5.744 8.408 1.00 0.00 H new ATOM 0 HG LEU A 17 2.188 6.471 5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.049 5.980 4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.997 4.502 5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.393 4.888 6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.223 7.899 6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.211 6.882 7.648 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.299 7.823 7.668 1.00 0.00 H new ATOM 227 N ALA A 18 5.327 5.455 6.466 1.00 0.00 N ATOM 228 CA ALA A 18 6.492 6.323 6.579 1.00 0.00 C ATOM 229 C ALA A 18 6.078 7.764 6.860 1.00 0.00 C ATOM 230 O ALA A 18 6.675 8.439 7.698 1.00 0.00 O ATOM 231 CB ALA A 18 7.330 6.251 5.311 1.00 0.00 C ATOM 0 H ALA A 18 5.293 4.905 5.608 1.00 0.00 H new ATOM 0 HA ALA A 18 7.093 5.974 7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.197 6.905 5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.665 5.226 5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.730 6.571 4.459 1.00 0.00 H new ATOM 237 N ALA A 19 5.053 8.229 6.154 1.00 0.00 N ATOM 238 CA ALA A 19 4.559 9.589 6.329 1.00 0.00 C ATOM 239 C ALA A 19 3.079 9.685 5.974 1.00 0.00 C ATOM 240 O ALA A 19 2.559 8.871 5.212 1.00 0.00 O ATOM 241 CB ALA A 19 5.370 10.558 5.482 1.00 0.00 C ATOM 0 H ALA A 19 4.548 7.684 5.455 1.00 0.00 H new ATOM 0 HA ALA A 19 4.673 9.858 7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.990 11.570 5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.416 10.518 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.285 10.281 4.431 1.00 0.00 H new ATOM 247 N VAL A 20 2.405 10.685 6.534 1.00 0.00 N ATOM 248 CA VAL A 20 0.984 10.888 6.277 1.00 0.00 C ATOM 249 C VAL A 20 0.724 12.271 5.691 1.00 0.00 C ATOM 250 O VAL A 20 0.787 13.279 6.396 1.00 0.00 O ATOM 251 CB VAL A 20 0.152 10.722 7.562 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.627 11.689 8.635 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.327 10.923 7.268 1.00 0.00 C ATOM 0 H VAL A 20 2.820 11.367 7.169 1.00 0.00 H new ATOM 0 HA VAL A 20 0.681 10.128 5.556 1.00 0.00 H new ATOM 0 HB VAL A 20 0.290 9.707 7.935 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.027 11.557 9.535 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.674 11.492 8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.521 12.712 8.275 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.900 10.802 8.187 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.486 11.925 6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.656 10.186 6.536 1.00 0.00 H new ATOM 263 N THR A 21 0.429 12.313 4.395 1.00 0.00 N ATOM 264 CA THR A 21 0.159 13.572 3.713 1.00 0.00 C ATOM 265 C THR A 21 -1.233 13.575 3.093 1.00 0.00 C ATOM 266 O THR A 21 -1.672 12.596 2.489 1.00 0.00 O ATOM 267 CB THR A 21 1.200 13.849 2.611 1.00 0.00 C ATOM 268 OG1 THR A 21 2.482 13.355 3.013 1.00 0.00 O ATOM 269 CG2 THR A 21 1.294 15.338 2.317 1.00 0.00 C ATOM 0 H THR A 21 0.371 11.489 3.797 1.00 0.00 H new ATOM 0 HA THR A 21 0.220 14.358 4.466 1.00 0.00 H new ATOM 0 HB THR A 21 0.881 13.335 1.704 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.137 13.533 2.307 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.035 15.509 1.536 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.324 15.705 1.983 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.591 15.869 3.221 1.00 0.00 H new ATOM 277 N PRO A 22 -1.947 14.700 3.244 1.00 0.00 N ATOM 278 CA PRO A 22 -3.301 14.857 2.704 1.00 0.00 C ATOM 279 C PRO A 22 -3.313 14.937 1.181 1.00 0.00 C ATOM 280 O PRO A 22 -4.365 15.111 0.567 1.00 0.00 O ATOM 281 CB PRO A 22 -3.775 16.179 3.313 1.00 0.00 C ATOM 282 CG PRO A 22 -2.523 16.936 3.595 1.00 0.00 C ATOM 283 CD PRO A 22 -1.488 15.906 3.952 1.00 0.00 C ATOM 0 HA PRO A 22 -3.938 14.007 2.948 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.420 16.724 2.624 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.350 16.012 4.224 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.213 17.515 2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.669 17.642 4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.492 16.208 3.627 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.437 15.745 5.029 1.00 0.00 H new ATOM 291 N ARG A 23 -2.135 14.810 0.578 1.00 0.00 N ATOM 292 CA ARG A 23 -2.010 14.869 -0.873 1.00 0.00 C ATOM 293 C ARG A 23 -1.370 13.595 -1.416 1.00 0.00 C ATOM 294 O ARG A 23 -1.632 13.189 -2.549 1.00 0.00 O ATOM 295 CB ARG A 23 -1.180 16.086 -1.286 1.00 0.00 C ATOM 296 CG ARG A 23 -1.426 17.312 -0.422 1.00 0.00 C ATOM 297 CD ARG A 23 -2.597 18.133 -0.940 1.00 0.00 C ATOM 298 NE ARG A 23 -2.331 18.693 -2.262 1.00 0.00 N ATOM 299 CZ ARG A 23 -3.253 19.296 -3.004 1.00 0.00 C ATOM 300 NH1 ARG A 23 -4.495 19.416 -2.555 1.00 0.00 N ATOM 301 NH2 ARG A 23 -2.934 19.781 -4.197 1.00 0.00 N ATOM 0 H ARG A 23 -1.254 14.666 1.072 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.011 14.960 -1.295 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.122 15.826 -1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.404 16.333 -2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.623 17.002 0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.528 17.930 -0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.488 17.506 -0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.811 18.941 -0.240 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.385 18.617 -2.636 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.744 19.045 -1.638 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.201 19.879 -3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.980 19.691 -4.546 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.643 20.244 -4.766 1.00 0.00 H new ATOM 315 N THR A 24 -0.528 12.968 -0.601 1.00 0.00 N ATOM 316 CA THR A 24 0.151 11.742 -0.999 1.00 0.00 C ATOM 317 C THR A 24 0.300 10.788 0.181 1.00 0.00 C ATOM 318 O THR A 24 0.438 11.217 1.326 1.00 0.00 O ATOM 319 CB THR A 24 1.545 12.036 -1.586 1.00 0.00 C ATOM 320 OG1 THR A 24 2.470 12.324 -0.531 1.00 0.00 O ATOM 321 CG2 THR A 24 1.488 13.211 -2.551 1.00 0.00 C ATOM 0 H THR A 24 -0.300 13.290 0.340 1.00 0.00 H new ATOM 0 HA THR A 24 -0.466 11.274 -1.766 1.00 0.00 H new ATOM 0 HB THR A 24 1.879 11.153 -2.131 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.354 12.508 -0.912 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.483 13.400 -2.953 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.805 12.978 -3.368 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.135 14.098 -2.024 1.00 0.00 H new ATOM 329 N VAL A 25 0.273 9.490 -0.107 1.00 0.00 N ATOM 330 CA VAL A 25 0.407 8.474 0.931 1.00 0.00 C ATOM 331 C VAL A 25 1.651 7.623 0.709 1.00 0.00 C ATOM 332 O VAL A 25 1.824 7.021 -0.352 1.00 0.00 O ATOM 333 CB VAL A 25 -0.829 7.556 0.980 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.510 6.273 1.732 1.00 0.00 C ATOM 335 CG2 VAL A 25 -2.005 8.280 1.618 1.00 0.00 C ATOM 0 H VAL A 25 0.160 9.118 -1.050 1.00 0.00 H new ATOM 0 HA VAL A 25 0.496 9.001 1.881 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.106 7.292 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.394 5.636 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.301 5.748 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.208 6.514 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.870 7.617 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.743 8.575 2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.246 9.168 1.033 1.00 0.00 H new ATOM 345 N HIS A 26 2.517 7.575 1.716 1.00 0.00 N ATOM 346 CA HIS A 26 3.747 6.795 1.632 1.00 0.00 C ATOM 347 C HIS A 26 3.708 5.613 2.596 1.00 0.00 C ATOM 348 O HIS A 26 3.600 5.793 3.810 1.00 0.00 O ATOM 349 CB HIS A 26 4.957 7.677 1.936 1.00 0.00 C ATOM 350 CG HIS A 26 6.257 7.090 1.479 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.441 7.796 1.471 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.555 5.853 1.015 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.411 7.021 1.019 1.00 0.00 C ATOM 354 NE2 HIS A 26 7.900 5.836 0.736 1.00 0.00 N ATOM 0 H HIS A 26 2.390 8.067 2.600 1.00 0.00 H new ATOM 0 HA HIS A 26 3.835 6.409 0.616 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.818 8.647 1.459 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.006 7.855 3.010 1.00 0.00 H new ATOM 0 HD1 HIS A 26 7.551 8.766 1.768 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.864 5.033 0.888 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.446 7.307 0.901 1.00 0.00 H new ATOM 363 N LEU A 27 3.797 4.406 2.049 1.00 0.00 N ATOM 364 CA LEU A 27 3.772 3.195 2.861 1.00 0.00 C ATOM 365 C LEU A 27 5.034 2.367 2.644 1.00 0.00 C ATOM 366 O LEU A 27 5.624 2.385 1.563 1.00 0.00 O ATOM 367 CB LEU A 27 2.536 2.358 2.526 1.00 0.00 C ATOM 368 CG LEU A 27 2.238 1.192 3.469 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.730 1.705 4.808 1.00 0.00 C ATOM 370 CD2 LEU A 27 1.228 0.242 2.842 1.00 0.00 C ATOM 0 H LEU A 27 3.887 4.240 1.047 1.00 0.00 H new ATOM 0 HA LEU A 27 3.730 3.491 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.668 3.018 2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.653 1.962 1.517 1.00 0.00 H new ATOM 0 HG LEU A 27 3.164 0.643 3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.523 0.861 5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.487 2.344 5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.816 2.278 4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.029 -0.581 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.301 0.778 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.630 -0.152 1.909 1.00 0.00 H new ATOM 382 N THR A 28 5.444 1.639 3.679 1.00 0.00 N ATOM 383 CA THR A 28 6.636 0.804 3.601 1.00 0.00 C ATOM 384 C THR A 28 6.439 -0.506 4.355 1.00 0.00 C ATOM 385 O THR A 28 5.887 -0.523 5.455 1.00 0.00 O ATOM 386 CB THR A 28 7.869 1.530 4.170 1.00 0.00 C ATOM 387 OG1 THR A 28 7.687 1.784 5.568 1.00 0.00 O ATOM 388 CG2 THR A 28 8.110 2.842 3.439 1.00 0.00 C ATOM 0 H THR A 28 4.968 1.611 4.581 1.00 0.00 H new ATOM 0 HA THR A 28 6.804 0.591 2.545 1.00 0.00 H new ATOM 0 HB THR A 28 8.738 0.888 4.028 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.733 1.907 5.757 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.986 3.337 3.859 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.278 2.643 2.380 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.239 3.488 3.553 1.00 0.00 H new ATOM 396 N TRP A 29 6.894 -1.601 3.757 1.00 0.00 N ATOM 397 CA TRP A 29 6.768 -2.917 4.374 1.00 0.00 C ATOM 398 C TRP A 29 8.061 -3.712 4.229 1.00 0.00 C ATOM 399 O TRP A 29 9.026 -3.240 3.629 1.00 0.00 O ATOM 400 CB TRP A 29 5.606 -3.688 3.746 1.00 0.00 C ATOM 401 CG TRP A 29 5.674 -3.748 2.250 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.384 -4.639 1.496 1.00 0.00 C ATOM 403 CD2 TRP A 29 5.006 -2.880 1.327 1.00 0.00 C ATOM 404 NE1 TRP A 29 6.198 -4.377 0.160 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.357 -3.304 0.030 1.00 0.00 C ATOM 406 CE3 TRP A 29 4.146 -1.789 1.469 1.00 0.00 C ATOM 407 CZ2 TRP A 29 4.877 -2.672 -1.114 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.670 -1.163 0.333 1.00 0.00 C ATOM 409 CH2 TRP A 29 4.036 -1.605 -0.945 1.00 0.00 C ATOM 0 H TRP A 29 7.353 -1.604 2.846 1.00 0.00 H new ATOM 0 HA TRP A 29 6.568 -2.776 5.436 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.596 -4.703 4.143 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.667 -3.220 4.042 1.00 0.00 H new ATOM 0 HD1 TRP A 29 7.001 -5.432 1.892 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.618 -4.897 -0.610 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.858 -1.441 2.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.158 -3.012 -2.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.004 -0.318 0.432 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.647 -1.094 -1.814 1.00 0.00 H new ATOM 420 N GLN A 30 8.072 -4.921 4.781 1.00 0.00 N ATOM 421 CA GLN A 30 9.248 -5.781 4.712 1.00 0.00 C ATOM 422 C GLN A 30 9.320 -6.497 3.368 1.00 0.00 C ATOM 423 O GLN A 30 8.311 -6.934 2.814 1.00 0.00 O ATOM 424 CB GLN A 30 9.224 -6.805 5.848 1.00 0.00 C ATOM 425 CG GLN A 30 9.844 -6.297 7.139 1.00 0.00 C ATOM 426 CD GLN A 30 11.344 -6.106 7.031 1.00 0.00 C ATOM 427 OE1 GLN A 30 12.078 -7.039 6.701 1.00 0.00 O ATOM 428 NE2 GLN A 30 11.809 -4.894 7.308 1.00 0.00 N ATOM 0 H GLN A 30 7.281 -5.327 5.281 1.00 0.00 H new ATOM 0 HA GLN A 30 10.133 -5.153 4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.192 -7.097 6.041 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.754 -7.702 5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.380 -5.349 7.412 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.628 -7.001 7.943 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.165 -4.150 7.577 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.810 -4.707 7.251 1.00 0.00 H new ATOM 437 N PRO A 31 10.542 -6.621 2.828 1.00 0.00 N ATOM 438 CA PRO A 31 10.776 -7.283 1.541 1.00 0.00 C ATOM 439 C PRO A 31 10.549 -8.789 1.615 1.00 0.00 C ATOM 440 O PRO A 31 10.756 -9.407 2.659 1.00 0.00 O ATOM 441 CB PRO A 31 12.247 -6.978 1.247 1.00 0.00 C ATOM 442 CG PRO A 31 12.861 -6.751 2.585 1.00 0.00 C ATOM 443 CD PRO A 31 11.789 -6.124 3.432 1.00 0.00 C ATOM 0 HA PRO A 31 10.091 -6.929 0.770 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.727 -7.807 0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.350 -6.099 0.610 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.204 -7.689 3.021 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.730 -6.098 2.510 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.876 -6.423 4.477 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.842 -5.036 3.406 1.00 0.00 H new ATOM 451 N SER A 32 10.122 -9.374 0.500 1.00 0.00 N ATOM 452 CA SER A 32 9.864 -10.808 0.440 1.00 0.00 C ATOM 453 C SER A 32 11.131 -11.573 0.071 1.00 0.00 C ATOM 454 O SER A 32 12.203 -10.987 -0.077 1.00 0.00 O ATOM 455 CB SER A 32 8.760 -11.107 -0.576 1.00 0.00 C ATOM 456 OG SER A 32 7.483 -11.086 0.038 1.00 0.00 O ATOM 0 H SER A 32 9.948 -8.877 -0.374 1.00 0.00 H new ATOM 0 HA SER A 32 9.538 -11.135 1.427 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.793 -10.372 -1.380 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.933 -12.083 -1.029 1.00 0.00 H new ATOM 0 HG SER A 32 7.445 -11.771 0.738 1.00 0.00 H new ATOM 462 N ALA A 33 10.999 -12.887 -0.077 1.00 0.00 N ATOM 463 CA ALA A 33 12.132 -13.734 -0.430 1.00 0.00 C ATOM 464 C ALA A 33 11.853 -14.519 -1.707 1.00 0.00 C ATOM 465 O ALA A 33 11.298 -15.616 -1.664 1.00 0.00 O ATOM 466 CB ALA A 33 12.460 -14.682 0.714 1.00 0.00 C ATOM 0 H ALA A 33 10.119 -13.388 0.042 1.00 0.00 H new ATOM 0 HA ALA A 33 12.993 -13.090 -0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.308 -15.308 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.711 -14.105 1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.596 -15.313 0.923 1.00 0.00 H new ATOM 472 N GLY A 34 12.241 -13.949 -2.844 1.00 0.00 N ATOM 473 CA GLY A 34 12.023 -14.610 -4.118 1.00 0.00 C ATOM 474 C GLY A 34 11.188 -13.776 -5.069 1.00 0.00 C ATOM 475 O GLY A 34 11.301 -13.912 -6.287 1.00 0.00 O ATOM 0 H GLY A 34 12.702 -13.041 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.986 -14.828 -4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.528 -15.566 -3.948 1.00 0.00 H new ATOM 479 N ALA A 35 10.348 -12.910 -4.512 1.00 0.00 N ATOM 480 CA ALA A 35 9.491 -12.050 -5.319 1.00 0.00 C ATOM 481 C ALA A 35 10.317 -11.055 -6.126 1.00 0.00 C ATOM 482 O ALA A 35 11.376 -10.607 -5.684 1.00 0.00 O ATOM 483 CB ALA A 35 8.495 -11.316 -4.433 1.00 0.00 C ATOM 0 H ALA A 35 10.243 -12.785 -3.505 1.00 0.00 H new ATOM 0 HA ALA A 35 8.942 -12.680 -6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.862 -10.678 -5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.875 -12.040 -3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.034 -10.703 -3.710 1.00 0.00 H new ATOM 489 N THR A 36 9.827 -10.711 -7.314 1.00 0.00 N ATOM 490 CA THR A 36 10.521 -9.770 -8.184 1.00 0.00 C ATOM 491 C THR A 36 9.829 -8.412 -8.188 1.00 0.00 C ATOM 492 O THR A 36 10.384 -7.423 -8.667 1.00 0.00 O ATOM 493 CB THR A 36 10.603 -10.297 -9.629 1.00 0.00 C ATOM 494 OG1 THR A 36 10.995 -9.241 -10.514 1.00 0.00 O ATOM 495 CG2 THR A 36 9.265 -10.868 -10.074 1.00 0.00 C ATOM 0 H THR A 36 8.952 -11.071 -7.695 1.00 0.00 H new ATOM 0 HA THR A 36 11.530 -9.659 -7.788 1.00 0.00 H new ATOM 0 HB THR A 36 11.348 -11.092 -9.660 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.145 -8.421 -9.999 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.348 -11.234 -11.097 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.984 -11.690 -9.416 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.504 -10.089 -10.028 1.00 0.00 H new ATOM 503 N HIS A 37 8.613 -8.371 -7.652 1.00 0.00 N ATOM 504 CA HIS A 37 7.845 -7.133 -7.593 1.00 0.00 C ATOM 505 C HIS A 37 6.598 -7.307 -6.731 1.00 0.00 C ATOM 506 O HIS A 37 6.162 -8.429 -6.474 1.00 0.00 O ATOM 507 CB HIS A 37 7.448 -6.687 -9.001 1.00 0.00 C ATOM 508 CG HIS A 37 6.670 -7.718 -9.759 1.00 0.00 C ATOM 509 ND1 HIS A 37 7.263 -8.661 -10.572 1.00 0.00 N ATOM 510 CD2 HIS A 37 5.339 -7.953 -9.823 1.00 0.00 C ATOM 511 CE1 HIS A 37 6.330 -9.429 -11.104 1.00 0.00 C ATOM 512 NE2 HIS A 37 5.153 -9.021 -10.665 1.00 0.00 N ATOM 0 H HIS A 37 8.139 -9.181 -7.253 1.00 0.00 H new ATOM 0 HA HIS A 37 8.473 -6.366 -7.140 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.855 -5.775 -8.931 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.349 -6.439 -9.562 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.566 -7.402 -9.307 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.500 -10.251 -11.783 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.253 -9.432 -10.911 1.00 0.00 H new ATOM 521 N TYR A 38 6.031 -6.191 -6.288 1.00 0.00 N ATOM 522 CA TYR A 38 4.836 -6.221 -5.452 1.00 0.00 C ATOM 523 C TYR A 38 3.712 -5.403 -6.080 1.00 0.00 C ATOM 524 O TYR A 38 3.935 -4.302 -6.585 1.00 0.00 O ATOM 525 CB TYR A 38 5.153 -5.685 -4.055 1.00 0.00 C ATOM 526 CG TYR A 38 6.568 -5.965 -3.605 1.00 0.00 C ATOM 527 CD1 TYR A 38 6.939 -7.228 -3.160 1.00 0.00 C ATOM 528 CD2 TYR A 38 7.535 -4.968 -3.624 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.231 -7.489 -2.747 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.830 -5.220 -3.214 1.00 0.00 C ATOM 531 CZ TYR A 38 9.173 -6.482 -2.776 1.00 0.00 C ATOM 532 OH TYR A 38 10.462 -6.737 -2.366 1.00 0.00 O ATOM 0 H TYR A 38 6.379 -5.254 -6.493 1.00 0.00 H new ATOM 0 HA TYR A 38 4.505 -7.256 -5.370 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.983 -4.608 -4.041 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.459 -6.127 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.204 -8.019 -3.137 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.270 -3.978 -3.965 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.502 -8.476 -2.403 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.570 -4.433 -3.236 1.00 0.00 H new ATOM 0 HH TYR A 38 10.999 -5.922 -2.450 1.00 0.00 H new ATOM 542 N LEU A 39 2.501 -5.950 -6.045 1.00 0.00 N ATOM 543 CA LEU A 39 1.339 -5.272 -6.609 1.00 0.00 C ATOM 544 C LEU A 39 0.629 -4.435 -5.551 1.00 0.00 C ATOM 545 O LEU A 39 0.352 -4.912 -4.450 1.00 0.00 O ATOM 546 CB LEU A 39 0.368 -6.294 -7.204 1.00 0.00 C ATOM 547 CG LEU A 39 -0.511 -5.795 -8.351 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.407 -4.659 -7.883 1.00 0.00 C ATOM 549 CD2 LEU A 39 0.348 -5.349 -9.526 1.00 0.00 C ATOM 0 H LEU A 39 2.299 -6.861 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 39 1.686 -4.606 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.944 -7.149 -7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.281 -6.656 -6.407 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.145 -6.618 -8.681 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.025 -4.317 -8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.048 -5.011 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.791 -3.834 -7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.294 -4.997 -10.333 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.008 -4.541 -9.209 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.947 -6.189 -9.879 1.00 0.00 H new ATOM 561 N VAL A 40 0.337 -3.184 -5.891 1.00 0.00 N ATOM 562 CA VAL A 40 -0.344 -2.280 -4.971 1.00 0.00 C ATOM 563 C VAL A 40 -1.701 -1.856 -5.522 1.00 0.00 C ATOM 564 O VAL A 40 -1.784 -1.017 -6.419 1.00 0.00 O ATOM 565 CB VAL A 40 0.500 -1.023 -4.692 1.00 0.00 C ATOM 566 CG1 VAL A 40 -0.341 0.045 -4.010 1.00 0.00 C ATOM 567 CG2 VAL A 40 1.716 -1.375 -3.848 1.00 0.00 C ATOM 0 H VAL A 40 0.561 -2.773 -6.797 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.488 -2.826 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 40 0.850 -0.623 -5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.273 0.926 -3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.177 0.317 -4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.723 -0.341 -3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.301 -0.475 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.389 -1.800 -2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.329 -2.103 -4.379 1.00 0.00 H new ATOM 577 N ARG A 41 -2.763 -2.440 -4.977 1.00 0.00 N ATOM 578 CA ARG A 41 -4.118 -2.123 -5.413 1.00 0.00 C ATOM 579 C ARG A 41 -4.721 -1.015 -4.554 1.00 0.00 C ATOM 580 O ARG A 41 -5.005 -1.218 -3.373 1.00 0.00 O ATOM 581 CB ARG A 41 -5.001 -3.370 -5.351 1.00 0.00 C ATOM 582 CG ARG A 41 -4.717 -4.373 -6.457 1.00 0.00 C ATOM 583 CD ARG A 41 -5.391 -5.709 -6.184 1.00 0.00 C ATOM 584 NE ARG A 41 -5.235 -6.639 -7.299 1.00 0.00 N ATOM 585 CZ ARG A 41 -5.878 -7.798 -7.385 1.00 0.00 C ATOM 586 NH1 ARG A 41 -6.717 -8.167 -6.427 1.00 0.00 N ATOM 587 NH2 ARG A 41 -5.683 -8.590 -8.431 1.00 0.00 N ATOM 0 H ARG A 41 -2.711 -3.135 -4.233 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.068 -1.772 -6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.860 -3.857 -4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.047 -3.067 -5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.068 -3.975 -7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.641 -4.519 -6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.968 -6.151 -5.282 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.452 -5.547 -5.993 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.597 -6.385 -8.053 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.870 -7.560 -5.621 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.210 -9.058 -6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.039 -8.309 -9.170 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.177 -9.480 -8.496 1.00 0.00 H new ATOM 601 N CYS A 42 -4.912 0.154 -5.154 1.00 0.00 N ATOM 602 CA CYS A 42 -5.480 1.294 -4.443 1.00 0.00 C ATOM 603 C CYS A 42 -6.986 1.381 -4.669 1.00 0.00 C ATOM 604 O CYS A 42 -7.443 1.607 -5.790 1.00 0.00 O ATOM 605 CB CYS A 42 -4.808 2.591 -4.897 1.00 0.00 C ATOM 606 SG CYS A 42 -5.116 4.002 -3.809 1.00 0.00 S ATOM 0 H CYS A 42 -4.682 0.338 -6.131 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.299 1.153 -3.377 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.733 2.426 -4.965 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.157 2.836 -5.900 1.00 0.00 H new ATOM 0 HG CYS A 42 -4.505 5.051 -4.275 1.00 0.00 H new ATOM 612 N SER A 43 -7.751 1.198 -3.598 1.00 0.00 N ATOM 613 CA SER A 43 -9.206 1.251 -3.681 1.00 0.00 C ATOM 614 C SER A 43 -9.785 2.096 -2.551 1.00 0.00 C ATOM 615 O SER A 43 -9.345 2.028 -1.403 1.00 0.00 O ATOM 616 CB SER A 43 -9.792 -0.162 -3.629 1.00 0.00 C ATOM 617 OG SER A 43 -11.109 -0.187 -4.151 1.00 0.00 O ATOM 0 H SER A 43 -7.388 1.012 -2.663 1.00 0.00 H new ATOM 0 HA SER A 43 -9.475 1.714 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.159 -0.843 -4.198 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.799 -0.519 -2.599 1.00 0.00 H new ATOM 0 HG SER A 43 -11.461 -1.101 -4.108 1.00 0.00 H new ATOM 623 N PRO A 44 -10.796 2.913 -2.881 1.00 0.00 N ATOM 624 CA PRO A 44 -11.458 3.787 -1.908 1.00 0.00 C ATOM 625 C PRO A 44 -12.291 3.005 -0.899 1.00 0.00 C ATOM 626 O PRO A 44 -12.924 2.007 -1.242 1.00 0.00 O ATOM 627 CB PRO A 44 -12.360 4.667 -2.778 1.00 0.00 C ATOM 628 CG PRO A 44 -12.618 3.854 -3.999 1.00 0.00 C ATOM 629 CD PRO A 44 -11.371 3.045 -4.230 1.00 0.00 C ATOM 0 HA PRO A 44 -10.740 4.348 -1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.288 4.913 -2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.873 5.610 -3.026 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.483 3.206 -3.860 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.832 4.493 -4.855 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.598 2.073 -4.667 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.686 3.549 -4.912 1.00 0.00 H new ATOM 637 N ALA A 45 -12.287 3.465 0.348 1.00 0.00 N ATOM 638 CA ALA A 45 -13.044 2.810 1.407 1.00 0.00 C ATOM 639 C ALA A 45 -14.520 3.187 1.341 1.00 0.00 C ATOM 640 O ALA A 45 -15.331 2.699 2.128 1.00 0.00 O ATOM 641 CB ALA A 45 -12.466 3.168 2.768 1.00 0.00 C ATOM 0 H ALA A 45 -11.767 4.289 0.649 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.965 1.732 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.041 2.672 3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.427 2.842 2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.515 4.247 2.911 1.00 0.00 H new ATOM 761 N ARG A 54 -7.274 1.101 -8.491 1.00 0.00 N ATOM 762 CA ARG A 54 -6.063 1.278 -9.283 1.00 0.00 C ATOM 763 C ARG A 54 -5.060 0.163 -9.001 1.00 0.00 C ATOM 764 O ARG A 54 -4.951 -0.315 -7.872 1.00 0.00 O ATOM 765 CB ARG A 54 -5.428 2.637 -8.986 1.00 0.00 C ATOM 766 CG ARG A 54 -4.015 2.781 -9.526 1.00 0.00 C ATOM 767 CD ARG A 54 -3.686 4.230 -9.850 1.00 0.00 C ATOM 768 NE ARG A 54 -2.273 4.413 -10.168 1.00 0.00 N ATOM 769 CZ ARG A 54 -1.660 5.592 -10.141 1.00 0.00 C ATOM 770 NH1 ARG A 54 -2.334 6.685 -9.813 1.00 0.00 N ATOM 771 NH2 ARG A 54 -0.371 5.678 -10.443 1.00 0.00 N ATOM 0 HA ARG A 54 -6.339 1.236 -10.337 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.053 3.421 -9.413 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.413 2.793 -7.907 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.304 2.401 -8.793 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.904 2.172 -10.423 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.293 4.560 -10.693 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.951 4.860 -9.001 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.726 3.591 -10.425 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.325 6.622 -9.581 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.862 7.589 -9.793 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.151 4.839 -10.696 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.098 6.583 -10.422 1.00 0.00 H new ATOM 785 N GLU A 55 -4.331 -0.246 -10.034 1.00 0.00 N ATOM 786 CA GLU A 55 -3.338 -1.305 -9.896 1.00 0.00 C ATOM 787 C GLU A 55 -1.975 -0.843 -10.403 1.00 0.00 C ATOM 788 O GLU A 55 -1.830 -0.454 -11.562 1.00 0.00 O ATOM 789 CB GLU A 55 -3.782 -2.553 -10.662 1.00 0.00 C ATOM 790 CG GLU A 55 -5.220 -2.959 -10.383 1.00 0.00 C ATOM 791 CD GLU A 55 -6.210 -2.264 -11.297 1.00 0.00 C ATOM 792 OE1 GLU A 55 -5.904 -1.145 -11.761 1.00 0.00 O ATOM 793 OE2 GLU A 55 -7.291 -2.838 -11.548 1.00 0.00 O ATOM 0 H GLU A 55 -4.409 0.139 -10.975 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.249 -1.549 -8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.665 -2.374 -11.731 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.123 -3.382 -10.403 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.318 -4.038 -10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.464 -2.728 -9.346 1.00 0.00 H new ATOM 800 N VAL A 56 -0.978 -0.887 -9.525 1.00 0.00 N ATOM 801 CA VAL A 56 0.374 -0.474 -9.881 1.00 0.00 C ATOM 802 C VAL A 56 1.404 -1.491 -9.402 1.00 0.00 C ATOM 803 O VAL A 56 1.137 -2.278 -8.495 1.00 0.00 O ATOM 804 CB VAL A 56 0.714 0.905 -9.286 1.00 0.00 C ATOM 805 CG1 VAL A 56 -0.066 2.001 -9.996 1.00 0.00 C ATOM 806 CG2 VAL A 56 0.435 0.923 -7.791 1.00 0.00 C ATOM 0 H VAL A 56 -1.081 -1.205 -8.561 1.00 0.00 H new ATOM 0 HA VAL A 56 0.410 -0.411 -10.969 1.00 0.00 H new ATOM 0 HB VAL A 56 1.777 1.094 -9.436 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.188 2.968 -9.562 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.189 2.001 -11.056 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.135 1.820 -9.880 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.681 1.905 -7.387 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.620 0.712 -7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.044 0.165 -7.298 1.00 0.00 H new ATOM 816 N GLN A 57 2.581 -1.467 -10.018 1.00 0.00 N ATOM 817 CA GLN A 57 3.652 -2.388 -9.654 1.00 0.00 C ATOM 818 C GLN A 57 4.901 -1.627 -9.224 1.00 0.00 C ATOM 819 O GLN A 57 5.447 -0.828 -9.984 1.00 0.00 O ATOM 820 CB GLN A 57 3.982 -3.310 -10.829 1.00 0.00 C ATOM 821 CG GLN A 57 3.101 -4.547 -10.898 1.00 0.00 C ATOM 822 CD GLN A 57 3.286 -5.324 -12.187 1.00 0.00 C ATOM 823 OE1 GLN A 57 2.323 -5.599 -12.903 1.00 0.00 O ATOM 824 NE2 GLN A 57 4.528 -5.682 -12.489 1.00 0.00 N ATOM 0 H GLN A 57 2.818 -0.821 -10.771 1.00 0.00 H new ATOM 0 HA GLN A 57 3.308 -2.991 -8.814 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.881 -2.750 -11.759 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.024 -3.620 -10.755 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.326 -5.196 -10.052 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.056 -4.250 -10.804 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.296 -5.433 -11.866 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.714 -6.206 -13.344 1.00 0.00 H new ATOM 833 N VAL A 58 5.349 -1.880 -7.998 1.00 0.00 N ATOM 834 CA VAL A 58 6.535 -1.219 -7.466 1.00 0.00 C ATOM 835 C VAL A 58 7.647 -2.224 -7.188 1.00 0.00 C ATOM 836 O VAL A 58 7.482 -3.142 -6.385 1.00 0.00 O ATOM 837 CB VAL A 58 6.216 -0.452 -6.168 1.00 0.00 C ATOM 838 CG1 VAL A 58 5.429 0.813 -6.476 1.00 0.00 C ATOM 839 CG2 VAL A 58 5.453 -1.342 -5.198 1.00 0.00 C ATOM 0 H VAL A 58 4.909 -2.538 -7.355 1.00 0.00 H new ATOM 0 HA VAL A 58 6.870 -0.512 -8.225 1.00 0.00 H new ATOM 0 HB VAL A 58 7.155 -0.162 -5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.213 1.342 -5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.016 1.456 -7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.494 0.549 -6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.236 -0.785 -4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.519 -1.664 -5.658 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.057 -2.216 -4.954 1.00 0.00 H new ATOM 849 N GLY A 59 8.781 -2.045 -7.858 1.00 0.00 N ATOM 850 CA GLY A 59 9.904 -2.944 -7.670 1.00 0.00 C ATOM 851 C GLY A 59 10.423 -2.933 -6.246 1.00 0.00 C ATOM 852 O GLY A 59 11.241 -3.773 -5.869 1.00 0.00 O ATOM 0 H GLY A 59 8.942 -1.293 -8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.603 -3.957 -7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.709 -2.662 -8.349 1.00 0.00 H new ATOM 856 N ARG A 60 9.949 -1.978 -5.452 1.00 0.00 N ATOM 857 CA ARG A 60 10.372 -1.860 -4.062 1.00 0.00 C ATOM 858 C ARG A 60 9.186 -2.025 -3.116 1.00 0.00 C ATOM 859 O ARG A 60 8.037 -1.761 -3.471 1.00 0.00 O ATOM 860 CB ARG A 60 11.043 -0.506 -3.825 1.00 0.00 C ATOM 861 CG ARG A 60 11.790 0.025 -5.038 1.00 0.00 C ATOM 862 CD ARG A 60 12.967 -0.867 -5.401 1.00 0.00 C ATOM 863 NE ARG A 60 13.882 -0.213 -6.332 1.00 0.00 N ATOM 864 CZ ARG A 60 14.941 -0.812 -6.865 1.00 0.00 C ATOM 865 NH1 ARG A 60 15.217 -2.072 -6.560 1.00 0.00 N ATOM 866 NH2 ARG A 60 15.727 -0.150 -7.704 1.00 0.00 N ATOM 0 H ARG A 60 9.272 -1.275 -5.748 1.00 0.00 H new ATOM 0 HA ARG A 60 11.090 -2.655 -3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.284 0.219 -3.530 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.739 -0.596 -2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.108 0.093 -5.886 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.146 1.035 -4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.507 -1.142 -4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.598 -1.792 -5.845 1.00 0.00 H new ATOM 0 HE ARG A 60 13.698 0.757 -6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 60 14.616 -2.584 -5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 60 16.031 -2.530 -6.971 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.518 0.820 -7.940 1.00 0.00 H new ATOM 0 HH22 ARG A 60 16.540 -0.611 -8.113 1.00 0.00 H new ATOM 880 N PRO A 61 9.469 -2.471 -1.884 1.00 0.00 N ATOM 881 CA PRO A 61 8.439 -2.681 -0.862 1.00 0.00 C ATOM 882 C PRO A 61 7.848 -1.369 -0.357 1.00 0.00 C ATOM 883 O PRO A 61 7.008 -1.363 0.543 1.00 0.00 O ATOM 884 CB PRO A 61 9.195 -3.395 0.262 1.00 0.00 C ATOM 885 CG PRO A 61 10.614 -2.979 0.087 1.00 0.00 C ATOM 886 CD PRO A 61 10.816 -2.806 -1.393 1.00 0.00 C ATOM 0 HA PRO A 61 7.590 -3.245 -1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.815 -3.104 1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.087 -4.477 0.186 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.817 -2.050 0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.293 -3.731 0.488 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.532 -2.013 -1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.198 -3.716 -1.856 1.00 0.00 H new ATOM 894 N GLU A 62 8.291 -0.261 -0.942 1.00 0.00 N ATOM 895 CA GLU A 62 7.805 1.056 -0.550 1.00 0.00 C ATOM 896 C GLU A 62 6.999 1.696 -1.677 1.00 0.00 C ATOM 897 O GLU A 62 7.524 1.959 -2.759 1.00 0.00 O ATOM 898 CB GLU A 62 8.976 1.963 -0.167 1.00 0.00 C ATOM 899 CG GLU A 62 9.974 2.178 -1.292 1.00 0.00 C ATOM 900 CD GLU A 62 11.195 2.959 -0.849 1.00 0.00 C ATOM 901 OE1 GLU A 62 11.679 2.717 0.277 1.00 0.00 O ATOM 902 OE2 GLU A 62 11.667 3.814 -1.628 1.00 0.00 O ATOM 0 H GLU A 62 8.986 -0.249 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 62 7.153 0.932 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.586 2.930 0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.494 1.531 0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.289 1.210 -1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.485 2.708 -2.109 1.00 0.00 H new ATOM 909 N VAL A 63 5.720 1.945 -1.414 1.00 0.00 N ATOM 910 CA VAL A 63 4.841 2.554 -2.405 1.00 0.00 C ATOM 911 C VAL A 63 4.412 3.952 -1.972 1.00 0.00 C ATOM 912 O VAL A 63 4.184 4.205 -0.789 1.00 0.00 O ATOM 913 CB VAL A 63 3.585 1.695 -2.645 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.712 1.666 -1.400 1.00 0.00 C ATOM 915 CG2 VAL A 63 2.804 2.217 -3.842 1.00 0.00 C ATOM 0 H VAL A 63 5.270 1.734 -0.523 1.00 0.00 H new ATOM 0 HA VAL A 63 5.408 2.621 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 63 3.900 0.674 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.830 1.055 -1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.277 1.242 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.403 2.681 -1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.920 1.599 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.499 3.247 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.433 2.180 -4.731 1.00 0.00 H new ATOM 925 N LEU A 64 4.302 4.856 -2.939 1.00 0.00 N ATOM 926 CA LEU A 64 3.899 6.230 -2.659 1.00 0.00 C ATOM 927 C LEU A 64 2.842 6.701 -3.653 1.00 0.00 C ATOM 928 O LEU A 64 3.124 6.880 -4.838 1.00 0.00 O ATOM 929 CB LEU A 64 5.114 7.159 -2.712 1.00 0.00 C ATOM 930 CG LEU A 64 4.811 8.657 -2.772 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.305 9.154 -1.427 1.00 0.00 C ATOM 932 CD2 LEU A 64 6.047 9.434 -3.200 1.00 0.00 C ATOM 0 H LEU A 64 4.486 4.663 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 64 3.469 6.260 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.731 6.968 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.711 6.894 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 64 4.029 8.821 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.095 10.222 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.393 8.620 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.064 8.977 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.813 10.498 -3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.850 9.264 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.365 9.098 -4.187 1.00 0.00 H new ATOM 944 N LEU A 65 1.624 6.900 -3.162 1.00 0.00 N ATOM 945 CA LEU A 65 0.523 7.353 -4.006 1.00 0.00 C ATOM 946 C LEU A 65 0.408 8.873 -3.981 1.00 0.00 C ATOM 947 O LEU A 65 0.703 9.512 -2.971 1.00 0.00 O ATOM 948 CB LEU A 65 -0.792 6.723 -3.544 1.00 0.00 C ATOM 949 CG LEU A 65 -0.733 5.240 -3.176 1.00 0.00 C ATOM 950 CD1 LEU A 65 -1.932 4.853 -2.324 1.00 0.00 C ATOM 951 CD2 LEU A 65 -0.668 4.381 -4.430 1.00 0.00 C ATOM 0 H LEU A 65 1.373 6.755 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 65 0.729 7.039 -5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.153 7.278 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.531 6.851 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 65 0.172 5.066 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.873 3.794 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.934 5.444 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.850 5.043 -2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.627 3.329 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.554 4.559 -5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.223 4.639 -5.002 1.00 0.00 H new ATOM 963 N ASP A 66 -0.025 9.446 -5.099 1.00 0.00 N ATOM 964 CA ASP A 66 -0.183 10.892 -5.205 1.00 0.00 C ATOM 965 C ASP A 66 -1.605 11.254 -5.623 1.00 0.00 C ATOM 966 O ASP A 66 -2.280 10.480 -6.301 1.00 0.00 O ATOM 967 CB ASP A 66 0.818 11.463 -6.210 1.00 0.00 C ATOM 968 CG ASP A 66 0.586 10.946 -7.616 1.00 0.00 C ATOM 969 OD1 ASP A 66 -0.316 11.472 -8.300 1.00 0.00 O ATOM 970 OD2 ASP A 66 1.307 10.015 -8.033 1.00 0.00 O ATOM 0 H ASP A 66 -0.273 8.931 -5.944 1.00 0.00 H new ATOM 0 HA ASP A 66 0.010 11.327 -4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.748 12.551 -6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.830 11.209 -5.895 1.00 0.00 H new ATOM 975 N GLY A 67 -2.054 12.437 -5.213 1.00 0.00 N ATOM 976 CA GLY A 67 -3.394 12.880 -5.554 1.00 0.00 C ATOM 977 C GLY A 67 -4.423 12.456 -4.525 1.00 0.00 C ATOM 978 O GLY A 67 -5.624 12.463 -4.799 1.00 0.00 O ATOM 0 H GLY A 67 -1.514 13.096 -4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.402 13.966 -5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.670 12.476 -6.528 1.00 0.00 H new ATOM 982 N LEU A 68 -3.954 12.084 -3.340 1.00 0.00 N ATOM 983 CA LEU A 68 -4.843 11.653 -2.266 1.00 0.00 C ATOM 984 C LEU A 68 -5.684 12.818 -1.755 1.00 0.00 C ATOM 985 O LEU A 68 -5.400 13.978 -2.051 1.00 0.00 O ATOM 986 CB LEU A 68 -4.033 11.050 -1.117 1.00 0.00 C ATOM 987 CG LEU A 68 -3.460 9.653 -1.359 1.00 0.00 C ATOM 988 CD1 LEU A 68 -4.439 8.587 -0.892 1.00 0.00 C ATOM 989 CD2 LEU A 68 -3.124 9.463 -2.831 1.00 0.00 C ATOM 0 H LEU A 68 -2.963 12.072 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.514 10.893 -2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.208 11.724 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.668 11.012 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.541 9.552 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.015 7.599 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.631 8.711 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.374 8.686 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.717 8.464 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.027 9.584 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.386 10.206 -3.135 1.00 0.00 H new ATOM 1001 N GLU A 69 -6.719 12.500 -0.983 1.00 0.00 N ATOM 1002 CA GLU A 69 -7.600 13.521 -0.429 1.00 0.00 C ATOM 1003 C GLU A 69 -7.459 13.597 1.089 1.00 0.00 C ATOM 1004 O GLU A 69 -7.287 12.587 1.772 1.00 0.00 O ATOM 1005 CB GLU A 69 -9.055 13.229 -0.803 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.414 13.646 -2.220 1.00 0.00 C ATOM 1007 CD GLU A 69 -9.171 15.121 -2.473 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -8.049 15.472 -2.894 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -10.101 15.923 -2.251 1.00 0.00 O ATOM 0 H GLU A 69 -6.967 11.544 -0.728 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.310 14.483 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.244 12.162 -0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.712 13.746 -0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.828 13.059 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.463 13.417 -2.407 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.534 14.822 1.629 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.417 15.059 3.071 1.00 0.00 C ATOM 1018 C PRO A 70 -8.624 14.538 3.844 1.00 0.00 C ATOM 1019 O PRO A 70 -9.761 14.919 3.570 1.00 0.00 O ATOM 1020 CB PRO A 70 -7.335 16.584 3.174 1.00 0.00 C ATOM 1021 CG PRO A 70 -8.019 17.084 1.948 1.00 0.00 C ATOM 1022 CD PRO A 70 -7.739 16.070 0.875 1.00 0.00 C ATOM 0 HA PRO A 70 -6.559 14.542 3.501 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.826 16.947 4.077 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.300 16.923 3.216 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.091 17.190 2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.642 18.067 1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.571 15.985 0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.858 16.336 0.291 1.00 0.00 H new ATOM 1030 N GLY A 71 -8.368 13.663 4.812 1.00 0.00 N ATOM 1031 CA GLY A 71 -9.444 13.104 5.610 1.00 0.00 C ATOM 1032 C GLY A 71 -10.160 11.970 4.904 1.00 0.00 C ATOM 1033 O GLY A 71 -11.353 11.753 5.117 1.00 0.00 O ATOM 0 H GLY A 71 -7.435 13.331 5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.041 12.742 6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.161 13.889 5.849 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.432 11.246 4.061 1.00 0.00 N ATOM 1038 CA ARG A 72 -10.006 10.130 3.319 1.00 0.00 C ATOM 1039 C ARG A 72 -9.240 8.840 3.598 1.00 0.00 C ATOM 1040 O ARG A 72 -8.009 8.823 3.591 1.00 0.00 O ATOM 1041 CB ARG A 72 -9.994 10.428 1.818 1.00 0.00 C ATOM 1042 CG ARG A 72 -11.086 9.706 1.046 1.00 0.00 C ATOM 1043 CD ARG A 72 -12.443 10.358 1.258 1.00 0.00 C ATOM 1044 NE ARG A 72 -13.478 9.754 0.423 1.00 0.00 N ATOM 1045 CZ ARG A 72 -13.545 9.911 -0.894 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -12.642 10.651 -1.523 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -14.517 9.329 -1.585 1.00 0.00 N ATOM 0 H ARG A 72 -8.443 11.412 3.875 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.037 9.999 3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.104 11.502 1.668 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.024 10.147 1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.843 9.707 -0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.129 8.664 1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.727 10.271 2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.372 11.422 1.034 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.189 9.180 0.877 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.894 11.101 -0.995 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.695 10.770 -2.535 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.214 8.760 -1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.567 9.451 -2.596 1.00 0.00 H new ATOM 1061 N ASP A 73 -9.977 7.763 3.844 1.00 0.00 N ATOM 1062 CA ASP A 73 -9.368 6.468 4.126 1.00 0.00 C ATOM 1063 C ASP A 73 -9.215 5.650 2.847 1.00 0.00 C ATOM 1064 O ASP A 73 -10.177 5.457 2.103 1.00 0.00 O ATOM 1065 CB ASP A 73 -10.210 5.695 5.143 1.00 0.00 C ATOM 1066 CG ASP A 73 -10.546 6.525 6.366 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -9.717 7.376 6.752 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -11.638 6.323 6.938 1.00 0.00 O ATOM 0 H ASP A 73 -10.997 7.761 3.854 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.377 6.643 4.545 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.133 5.362 4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.670 4.800 5.452 1.00 0.00 H new ATOM 1073 N TYR A 74 -8.001 5.173 2.598 1.00 0.00 N ATOM 1074 CA TYR A 74 -7.721 4.379 1.408 1.00 0.00 C ATOM 1075 C TYR A 74 -7.337 2.951 1.784 1.00 0.00 C ATOM 1076 O TYR A 74 -6.589 2.728 2.735 1.00 0.00 O ATOM 1077 CB TYR A 74 -6.598 5.023 0.592 1.00 0.00 C ATOM 1078 CG TYR A 74 -7.022 6.280 -0.134 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -7.636 6.213 -1.378 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -6.808 7.533 0.426 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -8.023 7.359 -2.045 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -7.194 8.685 -0.233 1.00 0.00 C ATOM 1083 CZ TYR A 74 -7.801 8.592 -1.469 1.00 0.00 C ATOM 1084 OH TYR A 74 -8.187 9.736 -2.129 1.00 0.00 O ATOM 0 H TYR A 74 -7.195 5.322 3.205 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.627 4.345 0.803 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.767 5.260 1.257 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.228 4.300 -0.135 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.814 5.249 -1.831 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.332 7.608 1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.497 7.290 -3.013 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.022 9.652 0.216 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.835 10.226 -1.582 1.00 0.00 H new ATOM 1094 N GLU A 75 -7.854 1.987 1.028 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.566 0.581 1.281 1.00 0.00 C ATOM 1096 C GLU A 75 -6.480 0.069 0.339 1.00 0.00 C ATOM 1097 O GLU A 75 -6.763 -0.345 -0.786 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.835 -0.260 1.119 1.00 0.00 C ATOM 1099 CG GLU A 75 -10.019 0.266 1.912 1.00 0.00 C ATOM 1100 CD GLU A 75 -11.007 -0.825 2.278 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -10.603 -1.785 2.967 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -12.184 -0.717 1.876 1.00 0.00 O ATOM 0 H GLU A 75 -8.474 2.155 0.236 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.206 0.490 2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.103 -0.298 0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.625 -1.283 1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.658 0.744 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.530 1.033 1.330 1.00 0.00 H new ATOM 1109 N VAL A 76 -5.236 0.102 0.806 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.107 -0.358 0.006 1.00 0.00 C ATOM 1111 C VAL A 76 -3.740 -1.797 0.350 1.00 0.00 C ATOM 1112 O VAL A 76 -3.353 -2.097 1.480 1.00 0.00 O ATOM 1113 CB VAL A 76 -2.872 0.539 0.212 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.793 0.203 -0.806 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.259 2.007 0.126 1.00 0.00 C ATOM 0 H VAL A 76 -4.985 0.442 1.734 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.416 -0.305 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.470 0.351 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.928 0.847 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.496 -0.839 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.181 0.361 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.374 2.626 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.686 2.214 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.994 2.235 0.898 1.00 0.00 H new ATOM 1125 N SER A 77 -3.865 -2.685 -0.631 1.00 0.00 N ATOM 1126 CA SER A 77 -3.549 -4.094 -0.432 1.00 0.00 C ATOM 1127 C SER A 77 -2.281 -4.479 -1.188 1.00 0.00 C ATOM 1128 O SER A 77 -2.210 -4.352 -2.410 1.00 0.00 O ATOM 1129 CB SER A 77 -4.716 -4.970 -0.891 1.00 0.00 C ATOM 1130 OG SER A 77 -5.954 -4.300 -0.723 1.00 0.00 O ATOM 0 H SER A 77 -4.183 -2.453 -1.572 1.00 0.00 H new ATOM 0 HA SER A 77 -3.379 -4.256 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.583 -5.238 -1.939 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.722 -5.900 -0.323 1.00 0.00 H new ATOM 0 HG SER A 77 -6.684 -4.880 -1.025 1.00 0.00 H new ATOM 1136 N VAL A 78 -1.280 -4.951 -0.451 1.00 0.00 N ATOM 1137 CA VAL A 78 -0.014 -5.356 -1.050 1.00 0.00 C ATOM 1138 C VAL A 78 0.036 -6.865 -1.260 1.00 0.00 C ATOM 1139 O VAL A 78 -0.405 -7.635 -0.407 1.00 0.00 O ATOM 1140 CB VAL A 78 1.181 -4.930 -0.177 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.492 -5.347 -0.827 1.00 0.00 C ATOM 1142 CG2 VAL A 78 1.152 -3.429 0.069 1.00 0.00 C ATOM 0 H VAL A 78 -1.322 -5.062 0.562 1.00 0.00 H new ATOM 0 HA VAL A 78 0.055 -4.855 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 78 1.104 -5.434 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.325 -5.038 -0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.510 -6.430 -0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.581 -4.872 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.003 -3.145 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.205 -2.903 -0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.227 -3.162 0.580 1.00 0.00 H new ATOM 1152 N GLN A 79 0.576 -7.281 -2.401 1.00 0.00 N ATOM 1153 CA GLN A 79 0.684 -8.699 -2.723 1.00 0.00 C ATOM 1154 C GLN A 79 2.009 -9.000 -3.415 1.00 0.00 C ATOM 1155 O GLN A 79 2.272 -8.512 -4.514 1.00 0.00 O ATOM 1156 CB GLN A 79 -0.481 -9.131 -3.615 1.00 0.00 C ATOM 1157 CG GLN A 79 -0.247 -10.455 -4.323 1.00 0.00 C ATOM 1158 CD GLN A 79 -1.539 -11.133 -4.735 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -1.510 -12.458 -4.822 1.00 0.00 O flip ATOM 1160 NE2 GLN A 79 -2.551 -10.474 -4.973 1.00 0.00 N flip ATOM 0 H GLN A 79 0.945 -6.656 -3.118 1.00 0.00 H new ATOM 0 HA GLN A 79 0.646 -9.262 -1.790 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.383 -9.208 -3.008 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.663 -8.357 -4.361 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.368 -10.286 -5.207 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.314 -11.120 -3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.528 -9.457 -4.893 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.413 -10.945 -5.250 1.00 0.00 H new ATOM 1169 N SER A 80 2.840 -9.808 -2.765 1.00 0.00 N ATOM 1170 CA SER A 80 4.140 -10.172 -3.317 1.00 0.00 C ATOM 1171 C SER A 80 3.980 -10.945 -4.622 1.00 0.00 C ATOM 1172 O SER A 80 3.538 -12.095 -4.626 1.00 0.00 O ATOM 1173 CB SER A 80 4.929 -11.010 -2.308 1.00 0.00 C ATOM 1174 OG SER A 80 5.361 -10.218 -1.215 1.00 0.00 O ATOM 0 H SER A 80 2.637 -10.223 -1.856 1.00 0.00 H new ATOM 0 HA SER A 80 4.689 -9.253 -3.525 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.307 -11.828 -1.945 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.792 -11.459 -2.799 1.00 0.00 H new ATOM 0 HG SER A 80 6.006 -10.725 -0.679 1.00 0.00 H new ATOM 1180 N LEU A 81 4.341 -10.306 -5.729 1.00 0.00 N ATOM 1181 CA LEU A 81 4.238 -10.932 -7.043 1.00 0.00 C ATOM 1182 C LEU A 81 5.586 -11.489 -7.488 1.00 0.00 C ATOM 1183 O LEU A 81 6.554 -10.744 -7.647 1.00 0.00 O ATOM 1184 CB LEU A 81 3.724 -9.923 -8.071 1.00 0.00 C ATOM 1185 CG LEU A 81 2.262 -9.501 -7.925 1.00 0.00 C ATOM 1186 CD1 LEU A 81 1.803 -8.732 -9.155 1.00 0.00 C ATOM 1187 CD2 LEU A 81 1.377 -10.716 -7.692 1.00 0.00 C ATOM 0 H LEU A 81 4.708 -9.354 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 81 3.531 -11.759 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.346 -9.030 -8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.861 -10.346 -9.066 1.00 0.00 H new ATOM 0 HG LEU A 81 2.178 -8.844 -7.059 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.760 -8.440 -9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.418 -7.840 -9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.902 -9.364 -10.037 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.340 -10.397 -7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.465 -11.398 -8.538 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.691 -11.225 -6.781 1.00 0.00 H new ATOM 1199 N ARG A 82 5.642 -12.801 -7.689 1.00 0.00 N ATOM 1200 CA ARG A 82 6.871 -13.457 -8.118 1.00 0.00 C ATOM 1201 C ARG A 82 6.851 -13.722 -9.620 1.00 0.00 C ATOM 1202 O ARG A 82 7.879 -13.633 -10.291 1.00 0.00 O ATOM 1203 CB ARG A 82 7.064 -14.772 -7.360 1.00 0.00 C ATOM 1204 CG ARG A 82 8.430 -15.402 -7.572 1.00 0.00 C ATOM 1205 CD ARG A 82 8.380 -16.912 -7.400 1.00 0.00 C ATOM 1206 NE ARG A 82 9.474 -17.580 -8.099 1.00 0.00 N ATOM 1207 CZ ARG A 82 9.660 -18.895 -8.088 1.00 0.00 C ATOM 1208 NH1 ARG A 82 8.827 -19.680 -7.418 1.00 0.00 N ATOM 1209 NH2 ARG A 82 10.679 -19.428 -8.750 1.00 0.00 N ATOM 0 H ARG A 82 4.850 -13.431 -7.562 1.00 0.00 H new ATOM 0 HA ARG A 82 7.705 -12.791 -7.895 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.917 -14.592 -6.295 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.295 -15.478 -7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.792 -15.160 -8.571 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.142 -14.977 -6.864 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.425 -17.157 -6.339 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.428 -17.288 -7.774 1.00 0.00 H new ATOM 0 HE ARG A 82 10.132 -17.005 -8.625 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.041 -19.274 -6.910 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.972 -20.690 -7.411 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.321 -18.828 -9.268 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.821 -20.438 -8.741 1.00 0.00 H new ATOM 1223 N GLY A 83 5.673 -14.049 -10.143 1.00 0.00 N ATOM 1224 CA GLY A 83 5.541 -14.323 -11.562 1.00 0.00 C ATOM 1225 C GLY A 83 4.230 -15.005 -11.901 1.00 0.00 C ATOM 1226 O GLY A 83 3.250 -14.361 -12.278 1.00 0.00 O ATOM 0 H GLY A 83 4.808 -14.129 -9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.615 -13.388 -12.118 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.369 -14.953 -11.886 1.00 0.00 H new ATOM 1230 N PRO A 84 4.201 -16.339 -11.769 1.00 0.00 N ATOM 1231 CA PRO A 84 3.007 -17.138 -12.061 1.00 0.00 C ATOM 1232 C PRO A 84 1.897 -16.915 -11.040 1.00 0.00 C ATOM 1233 O PRO A 84 0.749 -16.664 -11.404 1.00 0.00 O ATOM 1234 CB PRO A 84 3.518 -18.579 -11.989 1.00 0.00 C ATOM 1235 CG PRO A 84 4.703 -18.516 -11.089 1.00 0.00 C ATOM 1236 CD PRO A 84 5.332 -17.171 -11.325 1.00 0.00 C ATOM 0 HA PRO A 84 2.566 -16.875 -13.023 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.756 -19.250 -11.593 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.790 -18.952 -12.976 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.407 -18.631 -10.046 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.405 -19.319 -11.312 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.789 -16.776 -10.418 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.115 -17.221 -12.081 1.00 0.00 H new ATOM 1244 N GLU A 85 2.248 -17.008 -9.761 1.00 0.00 N ATOM 1245 CA GLU A 85 1.279 -16.817 -8.688 1.00 0.00 C ATOM 1246 C GLU A 85 1.781 -15.788 -7.679 1.00 0.00 C ATOM 1247 O GLU A 85 2.985 -15.649 -7.464 1.00 0.00 O ATOM 1248 CB GLU A 85 0.998 -18.145 -7.981 1.00 0.00 C ATOM 1249 CG GLU A 85 2.239 -18.797 -7.395 1.00 0.00 C ATOM 1250 CD GLU A 85 1.932 -19.645 -6.176 1.00 0.00 C ATOM 1251 OE1 GLU A 85 1.227 -20.665 -6.327 1.00 0.00 O ATOM 1252 OE2 GLU A 85 2.396 -19.289 -5.073 1.00 0.00 O ATOM 0 H GLU A 85 3.195 -17.214 -9.443 1.00 0.00 H new ATOM 0 HA GLU A 85 0.354 -16.447 -9.130 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.275 -17.976 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.536 -18.833 -8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.712 -19.418 -8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.957 -18.024 -7.123 1.00 0.00 H new ATOM 1259 N GLY A 86 0.849 -15.068 -7.063 1.00 0.00 N ATOM 1260 CA GLY A 86 1.215 -14.060 -6.085 1.00 0.00 C ATOM 1261 C GLY A 86 0.944 -14.507 -4.662 1.00 0.00 C ATOM 1262 O GLY A 86 0.253 -15.501 -4.437 1.00 0.00 O ATOM 0 H GLY A 86 -0.154 -15.165 -7.224 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.273 -13.822 -6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.660 -13.144 -6.287 1.00 0.00 H new ATOM 1266 N SER A 87 1.491 -13.774 -3.698 1.00 0.00 N ATOM 1267 CA SER A 87 1.310 -14.104 -2.289 1.00 0.00 C ATOM 1268 C SER A 87 -0.050 -13.624 -1.790 1.00 0.00 C ATOM 1269 O SER A 87 -0.821 -13.024 -2.539 1.00 0.00 O ATOM 1270 CB SER A 87 2.424 -13.477 -1.449 1.00 0.00 C ATOM 1271 OG SER A 87 2.231 -13.739 -0.070 1.00 0.00 O ATOM 0 H SER A 87 2.064 -12.947 -3.867 1.00 0.00 H new ATOM 0 HA SER A 87 1.354 -15.188 -2.186 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.389 -13.872 -1.766 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.449 -12.400 -1.618 1.00 0.00 H new ATOM 0 HG SER A 87 3.055 -14.108 0.311 1.00 0.00 H new ATOM 1277 N GLU A 88 -0.337 -13.895 -0.521 1.00 0.00 N ATOM 1278 CA GLU A 88 -1.604 -13.492 0.078 1.00 0.00 C ATOM 1279 C GLU A 88 -1.794 -11.981 -0.016 1.00 0.00 C ATOM 1280 O GLU A 88 -0.844 -11.240 -0.264 1.00 0.00 O ATOM 1281 CB GLU A 88 -1.665 -13.935 1.542 1.00 0.00 C ATOM 1282 CG GLU A 88 -2.232 -15.332 1.732 1.00 0.00 C ATOM 1283 CD GLU A 88 -3.508 -15.556 0.944 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -4.313 -14.608 0.836 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -3.700 -16.680 0.436 1.00 0.00 O ATOM 0 H GLU A 88 0.290 -14.392 0.112 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.409 -13.977 -0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.662 -13.899 1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.274 -13.226 2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.487 -16.067 1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.429 -15.499 2.791 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.029 -11.533 0.183 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.345 -10.111 0.122 1.00 0.00 C ATOM 1294 C ALA A 89 -3.338 -9.487 1.514 1.00 0.00 C ATOM 1295 O ALA A 89 -4.113 -9.882 2.385 1.00 0.00 O ATOM 1296 CB ALA A 89 -4.694 -9.899 -0.547 1.00 0.00 C ATOM 0 H ALA A 89 -3.827 -12.134 0.388 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.576 -9.618 -0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.917 -8.833 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.665 -10.301 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.468 -10.411 0.024 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.458 -8.512 1.716 1.00 0.00 N ATOM 1303 CA ARG A 90 -2.350 -7.835 3.003 1.00 0.00 C ATOM 1304 C ARG A 90 -2.281 -6.322 2.817 1.00 0.00 C ATOM 1305 O ARG A 90 -1.328 -5.800 2.239 1.00 0.00 O ATOM 1306 CB ARG A 90 -1.112 -8.324 3.757 1.00 0.00 C ATOM 1307 CG ARG A 90 -1.081 -9.830 3.965 1.00 0.00 C ATOM 1308 CD ARG A 90 -1.818 -10.233 5.232 1.00 0.00 C ATOM 1309 NE ARG A 90 -2.384 -11.576 5.132 1.00 0.00 N ATOM 1310 CZ ARG A 90 -1.680 -12.686 5.327 1.00 0.00 C ATOM 1311 NH1 ARG A 90 -0.392 -12.613 5.630 1.00 0.00 N ATOM 1312 NH2 ARG A 90 -2.266 -13.872 5.218 1.00 0.00 N ATOM 0 H ARG A 90 -1.810 -8.173 1.005 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.240 -8.072 3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.220 -8.023 3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.070 -7.831 4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.533 -10.326 3.106 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.047 -10.169 4.021 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.133 -10.190 6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.616 -9.517 5.431 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.373 -11.667 4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.061 -11.703 5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.146 -13.467 5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.257 -13.932 4.984 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.725 -14.724 5.368 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.298 -5.623 3.311 1.00 0.00 N ATOM 1327 CA GLY A 91 -3.334 -4.178 3.189 1.00 0.00 C ATOM 1328 C GLY A 91 -3.443 -3.485 4.533 1.00 0.00 C ATOM 1329 O GLY A 91 -3.766 -4.116 5.539 1.00 0.00 O ATOM 0 H GLY A 91 -4.098 -6.032 3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.433 -3.837 2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.180 -3.890 2.566 1.00 0.00 H new ATOM 1333 N ILE A 92 -3.171 -2.184 4.550 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.240 -1.406 5.780 1.00 0.00 C ATOM 1335 C ILE A 92 -4.201 -0.231 5.634 1.00 0.00 C ATOM 1336 O ILE A 92 -4.300 0.374 4.567 1.00 0.00 O ATOM 1337 CB ILE A 92 -1.854 -0.874 6.189 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -1.975 0.046 7.405 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -1.205 -0.140 5.025 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -0.647 0.589 7.886 1.00 0.00 C ATOM 0 H ILE A 92 -2.901 -1.647 3.726 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.606 -2.077 6.557 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.221 -1.720 6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.631 0.880 7.156 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.451 -0.501 8.219 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.226 0.230 5.329 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.089 -0.823 4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.834 0.699 4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.809 1.233 8.750 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.004 -0.239 8.167 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.178 1.164 7.088 1.00 0.00 H new ATOM 1352 N ARG A 93 -4.905 0.089 6.715 1.00 0.00 N ATOM 1353 CA ARG A 93 -5.858 1.192 6.708 1.00 0.00 C ATOM 1354 C ARG A 93 -5.137 2.531 6.577 1.00 0.00 C ATOM 1355 O ARG A 93 -4.651 3.085 7.562 1.00 0.00 O ATOM 1356 CB ARG A 93 -6.699 1.177 7.985 1.00 0.00 C ATOM 1357 CG ARG A 93 -7.993 1.966 7.872 1.00 0.00 C ATOM 1358 CD ARG A 93 -8.962 1.312 6.900 1.00 0.00 C ATOM 1359 NE ARG A 93 -10.336 1.757 7.114 1.00 0.00 N ATOM 1360 CZ ARG A 93 -11.402 1.054 6.747 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -11.252 -0.121 6.150 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -12.621 1.526 6.976 1.00 0.00 N ATOM 0 H ARG A 93 -4.833 -0.400 7.607 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.515 1.066 5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.934 0.144 8.243 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.106 1.583 8.805 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.459 2.045 8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.774 2.981 7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.661 1.543 5.878 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.910 0.229 7.010 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.486 2.657 7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.317 -0.487 5.972 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.072 -0.659 5.869 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.740 2.429 7.434 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.439 0.985 6.694 1.00 0.00 H new ATOM 1376 N ALA A 94 -5.072 3.045 5.353 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.413 4.319 5.093 1.00 0.00 C ATOM 1378 C ALA A 94 -5.320 5.490 5.455 1.00 0.00 C ATOM 1379 O ALA A 94 -6.444 5.592 4.962 1.00 0.00 O ATOM 1380 CB ALA A 94 -3.991 4.407 3.634 1.00 0.00 C ATOM 0 H ALA A 94 -5.468 2.598 4.526 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.524 4.375 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.500 5.364 3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.300 3.596 3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.870 4.325 2.995 1.00 0.00 H new ATOM 1386 N ARG A 95 -4.825 6.371 6.318 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.592 7.535 6.747 1.00 0.00 C ATOM 1388 C ARG A 95 -4.793 8.818 6.542 1.00 0.00 C ATOM 1389 O ARG A 95 -3.565 8.792 6.462 1.00 0.00 O ATOM 1390 CB ARG A 95 -5.989 7.397 8.218 1.00 0.00 C ATOM 1391 CG ARG A 95 -4.834 7.615 9.182 1.00 0.00 C ATOM 1392 CD ARG A 95 -5.012 6.804 10.456 1.00 0.00 C ATOM 1393 NE ARG A 95 -3.732 6.421 11.045 1.00 0.00 N ATOM 1394 CZ ARG A 95 -3.576 6.109 12.327 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -4.615 6.135 13.150 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -2.379 5.771 12.788 1.00 0.00 N ATOM 0 H ARG A 95 -3.896 6.301 6.734 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.495 7.589 6.138 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.779 8.114 8.442 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.406 6.403 8.382 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.898 7.335 8.699 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.761 8.674 9.430 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.584 7.386 11.179 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.593 5.908 10.237 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.912 6.391 10.439 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.537 6.395 12.799 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.492 5.895 14.134 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.577 5.750 12.158 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.261 5.532 13.772 1.00 0.00 H new ATOM 1410 N THR A 96 -5.499 9.942 6.457 1.00 0.00 N ATOM 1411 CA THR A 96 -4.857 11.235 6.260 1.00 0.00 C ATOM 1412 C THR A 96 -5.634 12.347 6.955 1.00 0.00 C ATOM 1413 O THR A 96 -6.865 12.348 6.990 1.00 0.00 O ATOM 1414 CB THR A 96 -4.725 11.575 4.763 1.00 0.00 C ATOM 1415 OG1 THR A 96 -6.012 11.532 4.136 1.00 0.00 O ATOM 1416 CG2 THR A 96 -3.784 10.602 4.068 1.00 0.00 C ATOM 0 H THR A 96 -6.516 9.982 6.522 1.00 0.00 H new ATOM 0 HA THR A 96 -3.861 11.163 6.698 1.00 0.00 H new ATOM 0 HB THR A 96 -4.312 12.580 4.676 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.992 12.061 3.311 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.707 10.862 3.012 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.798 10.658 4.529 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.173 9.588 4.164 1.00 0.00 H new ATOM 1424 N PRO A 97 -4.902 13.317 7.522 1.00 0.00 N ATOM 1425 CA PRO A 97 -5.503 14.453 8.226 1.00 0.00 C ATOM 1426 C PRO A 97 -6.216 15.411 7.278 1.00 0.00 C ATOM 1427 O PRO A 97 -6.367 15.128 6.089 1.00 0.00 O ATOM 1428 CB PRO A 97 -4.301 15.142 8.878 1.00 0.00 C ATOM 1429 CG PRO A 97 -3.139 14.765 8.025 1.00 0.00 C ATOM 1430 CD PRO A 97 -3.431 13.379 7.519 1.00 0.00 C ATOM 0 HA PRO A 97 -6.267 14.135 8.936 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.434 16.223 8.910 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.162 14.807 9.906 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.018 15.465 7.198 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.212 14.784 8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.024 13.222 6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.995 12.616 8.164 1.00 0.00 H new ATOM 1438 N THR A 98 -6.654 16.548 7.811 1.00 0.00 N ATOM 1439 CA THR A 98 -7.352 17.547 7.013 1.00 0.00 C ATOM 1440 C THR A 98 -6.512 18.809 6.853 1.00 0.00 C ATOM 1441 O THR A 98 -6.412 19.620 7.773 1.00 0.00 O ATOM 1442 CB THR A 98 -8.707 17.923 7.642 1.00 0.00 C ATOM 1443 OG1 THR A 98 -8.544 18.170 9.043 1.00 0.00 O ATOM 1444 CG2 THR A 98 -9.727 16.814 7.432 1.00 0.00 C ATOM 0 H THR A 98 -6.537 16.799 8.793 1.00 0.00 H new ATOM 0 HA THR A 98 -7.525 17.102 6.033 1.00 0.00 H new ATOM 0 HB THR A 98 -9.072 18.827 7.154 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.777 18.764 9.183 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.676 17.102 7.885 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.870 16.648 6.364 1.00 0.00 H new ATOM 0 HG23 THR A 98 -9.367 15.896 7.897 1.00 0.00 H new ATOM 1452 N SER A 99 -5.908 18.968 5.679 1.00 0.00 N ATOM 1453 CA SER A 99 -5.073 20.130 5.400 1.00 0.00 C ATOM 1454 C SER A 99 -5.696 21.398 5.977 1.00 0.00 C ATOM 1455 O SER A 99 -6.708 21.888 5.478 1.00 0.00 O ATOM 1456 CB SER A 99 -4.870 20.288 3.892 1.00 0.00 C ATOM 1457 OG SER A 99 -3.835 21.214 3.612 1.00 0.00 O ATOM 0 H SER A 99 -5.982 18.306 4.906 1.00 0.00 H new ATOM 0 HA SER A 99 -4.105 19.973 5.875 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.627 19.321 3.451 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.798 20.624 3.430 1.00 0.00 H new ATOM 0 HG SER A 99 -3.723 21.296 2.642 1.00 0.00 H new