USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 610 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 40 GLN : amide:sc= -0.291 K(o=-1.7,f=0.021) USER MOD Set 1.2: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 78 HIS : no HD1:sc= -1.44 K(o=-1.7,f=0.021) USER MOD Set 2.1: A 49 CYS SG : rot -40:sc= -2.84 USER MOD Set 2.2: A 82 GLN : amide:sc= -0.742 K(o=-3.6,f=-7.6!) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 16 THR OG1 : rot 100:sc= 1.16 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot -57:sc= -1.63 USER MOD Single : A 25 SER OG : rot 180:sc= 0.003 USER MOD Single : A 26 GLN : amide:sc=-0.000806 K(o=-0.00081,f=-0.7) USER MOD Single : A 29 THR OG1 : rot 74:sc= 0.138 USER MOD Single : A 31 SER OG : rot -138:sc= 0.102 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00901 USER MOD Single : A 47 GLN : amide:sc= -1.71 X(o=-1.7,f=-1.4) USER MOD Single : A 56 ASN : amide:sc= -0.143 K(o=-0.14,f=-1.2) USER MOD Single : A 62 HIS : no HD1:sc= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -2.01 K(o=-2,f=-6!) USER MOD Single : A 71 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 191 N GLY A 12 -9.091 0.948 -5.938 1.00 0.00 N ATOM 192 CA GLY A 12 -10.152 0.099 -5.429 1.00 0.00 C ATOM 193 C GLY A 12 -9.715 -0.724 -4.232 1.00 0.00 C ATOM 194 O GLY A 12 -10.421 -0.792 -3.227 1.00 0.00 O ATOM 0 HA2 GLY A 12 -11.005 0.717 -5.149 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.490 -0.569 -6.221 1.00 0.00 H new ATOM 198 N GLN A 13 -8.549 -1.352 -4.342 1.00 0.00 N ATOM 199 CA GLN A 13 -8.020 -2.177 -3.262 1.00 0.00 C ATOM 200 C GLN A 13 -7.606 -1.318 -2.071 1.00 0.00 C ATOM 201 O GLN A 13 -7.856 -1.674 -0.920 1.00 0.00 O ATOM 202 CB GLN A 13 -6.825 -2.994 -3.756 1.00 0.00 C ATOM 203 CG GLN A 13 -7.197 -4.388 -4.233 1.00 0.00 C ATOM 204 CD GLN A 13 -6.034 -5.112 -4.882 1.00 0.00 C ATOM 205 OE1 GLN A 13 -5.201 -4.500 -5.551 1.00 0.00 O ATOM 206 NE2 GLN A 13 -5.971 -6.424 -4.687 1.00 0.00 N ATOM 0 H GLN A 13 -7.952 -1.305 -5.168 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.809 -2.857 -2.939 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.341 -2.457 -4.572 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.095 -3.077 -2.951 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.558 -4.973 -3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.019 -4.317 -4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.683 -6.891 -4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.211 -6.965 -5.099 1.00 0.00 H new ATOM 215 N LEU A 14 -6.969 -0.187 -2.357 1.00 0.00 N ATOM 216 CA LEU A 14 -6.517 0.721 -1.309 1.00 0.00 C ATOM 217 C LEU A 14 -7.697 1.271 -0.514 1.00 0.00 C ATOM 218 O LEU A 14 -7.701 1.232 0.716 1.00 0.00 O ATOM 219 CB LEU A 14 -5.716 1.874 -1.917 1.00 0.00 C ATOM 220 CG LEU A 14 -5.027 2.789 -0.903 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.586 2.353 -0.683 1.00 0.00 C ATOM 222 CD2 LEU A 14 -5.082 4.237 -1.366 1.00 0.00 C ATOM 0 H LEU A 14 -6.754 0.122 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.877 0.159 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.959 1.459 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.385 2.477 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.558 2.712 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.112 3.015 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.569 1.331 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.043 2.400 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.587 4.873 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.577 4.331 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.122 4.546 -1.471 1.00 0.00 H new ATOM 234 N ALA A 15 -8.695 1.785 -1.225 1.00 0.00 N ATOM 235 CA ALA A 15 -9.880 2.345 -0.586 1.00 0.00 C ATOM 236 C ALA A 15 -10.576 1.311 0.293 1.00 0.00 C ATOM 237 O ALA A 15 -10.947 1.598 1.431 1.00 0.00 O ATOM 238 CB ALA A 15 -10.843 2.879 -1.636 1.00 0.00 C ATOM 0 H ALA A 15 -8.707 1.825 -2.244 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.560 3.168 0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.723 3.294 -1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.351 3.658 -2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.146 2.068 -2.298 1.00 0.00 H new ATOM 244 N THR A 16 -10.750 0.107 -0.243 1.00 0.00 N ATOM 245 CA THR A 16 -11.403 -0.970 0.492 1.00 0.00 C ATOM 246 C THR A 16 -10.622 -1.326 1.753 1.00 0.00 C ATOM 247 O THR A 16 -11.172 -1.334 2.854 1.00 0.00 O ATOM 248 CB THR A 16 -11.546 -2.206 -0.396 1.00 0.00 C ATOM 249 OG1 THR A 16 -12.081 -1.856 -1.660 1.00 0.00 O ATOM 250 CG2 THR A 16 -12.439 -3.273 0.201 1.00 0.00 C ATOM 0 H THR A 16 -10.448 -0.147 -1.184 1.00 0.00 H new ATOM 0 HA THR A 16 -12.393 -0.623 0.787 1.00 0.00 H new ATOM 0 HB THR A 16 -10.538 -2.611 -0.492 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.357 -1.800 -2.318 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.497 -4.122 -0.480 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.026 -3.601 1.155 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.438 -2.865 0.359 1.00 0.00 H new ATOM 258 N LEU A 17 -9.338 -1.622 1.583 1.00 0.00 N ATOM 259 CA LEU A 17 -8.481 -1.982 2.707 1.00 0.00 C ATOM 260 C LEU A 17 -8.353 -0.823 3.692 1.00 0.00 C ATOM 261 O LEU A 17 -8.171 -1.033 4.891 1.00 0.00 O ATOM 262 CB LEU A 17 -7.095 -2.394 2.205 1.00 0.00 C ATOM 263 CG LEU A 17 -6.430 -3.524 2.993 1.00 0.00 C ATOM 264 CD1 LEU A 17 -6.104 -3.067 4.407 1.00 0.00 C ATOM 265 CD2 LEU A 17 -7.327 -4.752 3.021 1.00 0.00 C ATOM 0 H LEU A 17 -8.868 -1.620 0.678 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.940 -2.824 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.179 -2.700 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.442 -1.521 2.230 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.498 -3.791 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.632 -3.883 4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.424 -2.216 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.022 -2.774 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.839 -5.546 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.275 -4.499 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.511 -5.092 2.002 1.00 0.00 H new ATOM 277 N ARG A 18 -8.446 0.398 3.177 1.00 0.00 N ATOM 278 CA ARG A 18 -8.337 1.589 4.012 1.00 0.00 C ATOM 279 C ARG A 18 -9.533 1.713 4.952 1.00 0.00 C ATOM 280 O ARG A 18 -9.371 1.952 6.148 1.00 0.00 O ATOM 281 CB ARG A 18 -8.226 2.840 3.139 1.00 0.00 C ATOM 282 CG ARG A 18 -6.794 3.295 2.907 1.00 0.00 C ATOM 283 CD ARG A 18 -6.310 4.208 4.022 1.00 0.00 C ATOM 284 NE ARG A 18 -5.713 5.437 3.503 1.00 0.00 N ATOM 285 CZ ARG A 18 -6.420 6.477 3.068 1.00 0.00 C ATOM 286 NH1 ARG A 18 -7.746 6.443 3.089 1.00 0.00 N ATOM 287 NH2 ARG A 18 -5.798 7.556 2.612 1.00 0.00 N ATOM 0 H ARG A 18 -8.596 0.589 2.186 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.435 1.494 4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.697 2.644 2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.785 3.650 3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.141 2.425 2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.728 3.818 1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.147 4.459 4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.578 3.679 4.632 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.695 5.501 3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.229 5.616 3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.282 7.244 2.754 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.779 7.588 2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.339 8.354 2.278 1.00 0.00 H new ATOM 301 N GLN A 19 -10.733 1.555 4.403 1.00 0.00 N ATOM 302 CA GLN A 19 -11.954 1.654 5.195 1.00 0.00 C ATOM 303 C GLN A 19 -12.138 0.423 6.077 1.00 0.00 C ATOM 304 O GLN A 19 -12.575 0.529 7.223 1.00 0.00 O ATOM 305 CB GLN A 19 -13.168 1.826 4.279 1.00 0.00 C ATOM 306 CG GLN A 19 -14.176 2.841 4.790 1.00 0.00 C ATOM 307 CD GLN A 19 -15.338 3.040 3.837 1.00 0.00 C ATOM 308 OE1 GLN A 19 -16.467 2.642 4.125 1.00 0.00 O ATOM 309 NE2 GLN A 19 -15.067 3.658 2.693 1.00 0.00 N ATOM 0 H GLN A 19 -10.886 1.358 3.414 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.866 2.528 5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.826 2.132 3.290 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.663 0.862 4.161 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.557 2.514 5.758 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.675 3.796 4.951 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.117 3.971 2.495 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.809 3.819 2.012 1.00 0.00 H new ATOM 318 N ARG A 20 -11.804 -0.744 5.536 1.00 0.00 N ATOM 319 CA ARG A 20 -11.936 -1.995 6.276 1.00 0.00 C ATOM 320 C ARG A 20 -10.894 -2.088 7.386 1.00 0.00 C ATOM 321 O ARG A 20 -11.165 -2.621 8.462 1.00 0.00 O ATOM 322 CB ARG A 20 -11.799 -3.188 5.328 1.00 0.00 C ATOM 323 CG ARG A 20 -12.792 -4.306 5.609 1.00 0.00 C ATOM 324 CD ARG A 20 -12.092 -5.615 5.946 1.00 0.00 C ATOM 325 NE ARG A 20 -12.512 -6.142 7.243 1.00 0.00 N ATOM 326 CZ ARG A 20 -12.349 -7.409 7.616 1.00 0.00 C ATOM 327 NH1 ARG A 20 -11.775 -8.282 6.797 1.00 0.00 N ATOM 328 NH2 ARG A 20 -12.759 -7.804 8.813 1.00 0.00 N ATOM 0 H ARG A 20 -11.440 -0.850 4.589 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.925 -2.014 6.733 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.933 -2.844 4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.787 -3.585 5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.440 -4.017 6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.432 -4.450 4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.305 -6.350 5.170 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.013 -5.459 5.950 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.956 -5.501 7.901 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.456 -7.983 5.875 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.653 -9.252 7.089 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.199 -7.137 9.447 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.635 -8.775 9.100 1.00 0.00 H new ATOM 342 N CYS A 21 -9.700 -1.568 7.117 1.00 0.00 N ATOM 343 CA CYS A 21 -8.617 -1.595 8.094 1.00 0.00 C ATOM 344 C CYS A 21 -8.368 -0.209 8.689 1.00 0.00 C ATOM 345 O CYS A 21 -7.344 0.023 9.332 1.00 0.00 O ATOM 346 CB CYS A 21 -7.334 -2.121 7.447 1.00 0.00 C ATOM 347 SG CYS A 21 -6.005 -2.473 8.621 1.00 0.00 S ATOM 0 H CYS A 21 -9.458 -1.123 6.231 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.915 -2.263 8.902 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.566 -3.031 6.894 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.979 -1.389 6.722 1.00 0.00 H new ATOM 0 HG CYS A 21 -5.739 -1.403 9.309 1.00 0.00 H new ATOM 353 N ALA A 22 -9.306 0.710 8.473 1.00 0.00 N ATOM 354 CA ALA A 22 -9.177 2.066 8.991 1.00 0.00 C ATOM 355 C ALA A 22 -9.104 2.071 10.517 1.00 0.00 C ATOM 356 O ALA A 22 -8.170 2.622 11.099 1.00 0.00 O ATOM 357 CB ALA A 22 -10.339 2.926 8.513 1.00 0.00 C ATOM 0 H ALA A 22 -10.161 0.539 7.944 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.246 2.486 8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.230 3.936 8.907 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.342 2.960 7.424 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.277 2.498 8.866 1.00 0.00 H new ATOM 363 N PRO A 23 -10.096 1.459 11.187 1.00 0.00 N ATOM 364 CA PRO A 23 -10.145 1.400 12.649 1.00 0.00 C ATOM 365 C PRO A 23 -9.285 0.278 13.226 1.00 0.00 C ATOM 366 O PRO A 23 -9.750 -0.511 14.049 1.00 0.00 O ATOM 367 CB PRO A 23 -11.622 1.132 12.921 1.00 0.00 C ATOM 368 CG PRO A 23 -12.076 0.325 11.753 1.00 0.00 C ATOM 369 CD PRO A 23 -11.256 0.784 10.572 1.00 0.00 C ATOM 0 HA PRO A 23 -9.757 2.308 13.111 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.761 0.590 13.856 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -12.185 2.061 13.004 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.930 -0.740 11.937 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.140 0.474 11.568 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.946 -0.056 9.950 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.821 1.463 9.933 1.00 0.00 H new ATOM 377 N VAL A 24 -8.030 0.211 12.793 1.00 0.00 N ATOM 378 CA VAL A 24 -7.111 -0.816 13.272 1.00 0.00 C ATOM 379 C VAL A 24 -5.857 -0.204 13.901 1.00 0.00 C ATOM 380 O VAL A 24 -5.018 -0.920 14.447 1.00 0.00 O ATOM 381 CB VAL A 24 -6.689 -1.765 12.135 1.00 0.00 C ATOM 382 CG1 VAL A 24 -5.838 -2.906 12.674 1.00 0.00 C ATOM 383 CG2 VAL A 24 -7.913 -2.302 11.408 1.00 0.00 C ATOM 0 H VAL A 24 -7.626 0.855 12.112 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.649 -1.382 14.033 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.087 -1.201 11.422 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.551 -3.564 11.854 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.942 -2.501 13.145 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.411 -3.471 13.410 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.596 -2.971 10.608 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.542 -2.849 12.110 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.478 -1.472 10.985 1.00 0.00 H new ATOM 393 N SER A 25 -5.732 1.119 13.821 1.00 0.00 N ATOM 394 CA SER A 25 -4.578 1.811 14.383 1.00 0.00 C ATOM 395 C SER A 25 -4.446 1.540 15.880 1.00 0.00 C ATOM 396 O SER A 25 -3.351 1.605 16.438 1.00 0.00 O ATOM 397 CB SER A 25 -4.693 3.316 14.135 1.00 0.00 C ATOM 398 OG SER A 25 -5.065 3.586 12.794 1.00 0.00 O ATOM 0 H SER A 25 -6.415 1.731 13.373 1.00 0.00 H new ATOM 0 HA SER A 25 -3.685 1.431 13.887 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.431 3.744 14.813 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.740 3.798 14.355 1.00 0.00 H new ATOM 0 HG SER A 25 -5.133 4.555 12.662 1.00 0.00 H new ATOM 404 N GLN A 26 -5.569 1.239 16.526 1.00 0.00 N ATOM 405 CA GLN A 26 -5.576 0.962 17.958 1.00 0.00 C ATOM 406 C GLN A 26 -4.664 -0.213 18.298 1.00 0.00 C ATOM 407 O GLN A 26 -3.853 -0.133 19.221 1.00 0.00 O ATOM 408 CB GLN A 26 -7.001 0.670 18.435 1.00 0.00 C ATOM 409 CG GLN A 26 -7.667 -0.477 17.693 1.00 0.00 C ATOM 410 CD GLN A 26 -9.179 -0.431 17.786 1.00 0.00 C ATOM 411 OE1 GLN A 26 -9.740 0.266 18.631 1.00 0.00 O ATOM 412 NE2 GLN A 26 -9.848 -1.176 16.913 1.00 0.00 N ATOM 0 H GLN A 26 -6.485 1.181 16.081 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.199 1.847 18.471 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.979 0.439 19.500 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.606 1.569 18.317 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.370 -0.448 16.645 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.310 -1.424 18.099 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.342 -1.739 16.229 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.868 -1.185 16.926 1.00 0.00 H new ATOM 421 N PHE A 27 -4.802 -1.304 17.551 1.00 0.00 N ATOM 422 CA PHE A 27 -3.990 -2.494 17.780 1.00 0.00 C ATOM 423 C PHE A 27 -3.223 -2.889 16.521 1.00 0.00 C ATOM 424 O PHE A 27 -2.884 -4.057 16.331 1.00 0.00 O ATOM 425 CB PHE A 27 -4.871 -3.657 18.238 1.00 0.00 C ATOM 426 CG PHE A 27 -4.114 -4.738 18.955 1.00 0.00 C ATOM 427 CD1 PHE A 27 -3.820 -4.618 20.304 1.00 0.00 C ATOM 428 CD2 PHE A 27 -3.695 -5.874 18.280 1.00 0.00 C ATOM 429 CE1 PHE A 27 -3.123 -5.611 20.966 1.00 0.00 C ATOM 430 CE2 PHE A 27 -2.998 -6.869 18.937 1.00 0.00 C ATOM 431 CZ PHE A 27 -2.711 -6.738 20.282 1.00 0.00 C ATOM 0 H PHE A 27 -5.468 -1.389 16.783 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.268 -2.261 18.562 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.651 -3.274 18.896 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.369 -4.088 17.370 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.139 -3.739 20.844 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.916 -5.982 17.228 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.901 -5.506 22.018 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.677 -7.749 18.399 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.166 -7.515 20.797 1.00 0.00 H new ATOM 441 N ALA A 28 -2.953 -1.911 15.663 1.00 0.00 N ATOM 442 CA ALA A 28 -2.227 -2.162 14.424 1.00 0.00 C ATOM 443 C ALA A 28 -0.839 -2.731 14.705 1.00 0.00 C ATOM 444 O ALA A 28 -0.036 -2.118 15.408 1.00 0.00 O ATOM 445 CB ALA A 28 -2.121 -0.881 13.609 1.00 0.00 C ATOM 0 H ALA A 28 -3.226 -0.938 15.803 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.783 -2.902 13.848 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.577 -1.081 12.686 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.121 -0.518 13.370 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.590 -0.125 14.187 1.00 0.00 H new ATOM 451 N THR A 29 -0.566 -3.906 14.149 1.00 0.00 N ATOM 452 CA THR A 29 0.725 -4.560 14.336 1.00 0.00 C ATOM 453 C THR A 29 1.090 -5.400 13.115 1.00 0.00 C ATOM 454 O THR A 29 0.236 -6.064 12.529 1.00 0.00 O ATOM 455 CB THR A 29 0.699 -5.440 15.586 1.00 0.00 C ATOM 456 OG1 THR A 29 0.075 -4.764 16.663 1.00 0.00 O ATOM 457 CG2 THR A 29 2.076 -5.865 16.047 1.00 0.00 C ATOM 0 H THR A 29 -1.221 -4.426 13.565 1.00 0.00 H new ATOM 0 HA THR A 29 1.482 -3.786 14.462 1.00 0.00 H new ATOM 0 HB THR A 29 0.138 -6.330 15.301 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.893 -4.733 16.513 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.986 -6.487 16.938 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.565 -6.433 15.256 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.670 -4.982 16.280 1.00 0.00 H new ATOM 465 N LEU A 30 2.364 -5.365 12.738 1.00 0.00 N ATOM 466 CA LEU A 30 2.841 -6.124 11.587 1.00 0.00 C ATOM 467 C LEU A 30 3.714 -7.294 12.028 1.00 0.00 C ATOM 468 O LEU A 30 4.394 -7.223 13.052 1.00 0.00 O ATOM 469 CB LEU A 30 3.628 -5.215 10.641 1.00 0.00 C ATOM 470 CG LEU A 30 2.778 -4.425 9.644 1.00 0.00 C ATOM 471 CD1 LEU A 30 3.626 -3.390 8.922 1.00 0.00 C ATOM 472 CD2 LEU A 30 2.117 -5.365 8.648 1.00 0.00 C ATOM 0 H LEU A 30 3.084 -4.820 13.212 1.00 0.00 H new ATOM 0 HA LEU A 30 1.972 -6.521 11.061 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.209 -4.511 11.238 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.340 -5.825 10.085 1.00 0.00 H new ATOM 0 HG LEU A 30 1.996 -3.902 10.195 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.004 -2.838 8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.053 -2.698 9.648 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.430 -3.891 8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.516 -4.787 7.946 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.884 -5.915 8.102 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.477 -6.068 9.181 1.00 0.00 H new ATOM 484 N SER A 31 3.692 -8.369 11.247 1.00 0.00 N ATOM 485 CA SER A 31 4.482 -9.555 11.556 1.00 0.00 C ATOM 486 C SER A 31 5.972 -9.272 11.397 1.00 0.00 C ATOM 487 O SER A 31 6.364 -8.207 10.922 1.00 0.00 O ATOM 488 CB SER A 31 4.072 -10.717 10.649 1.00 0.00 C ATOM 489 OG SER A 31 4.022 -10.312 9.292 1.00 0.00 O ATOM 0 H SER A 31 3.136 -8.443 10.395 1.00 0.00 H new ATOM 0 HA SER A 31 4.291 -9.828 12.594 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.781 -11.537 10.761 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.096 -11.095 10.955 1.00 0.00 H new ATOM 0 HG SER A 31 3.228 -10.696 8.865 1.00 0.00 H new ATOM 495 N ALA A 32 6.798 -10.234 11.797 1.00 0.00 N ATOM 496 CA ALA A 32 8.246 -10.089 11.698 1.00 0.00 C ATOM 497 C ALA A 32 8.770 -10.592 10.353 1.00 0.00 C ATOM 498 O ALA A 32 9.977 -10.582 10.108 1.00 0.00 O ATOM 499 CB ALA A 32 8.926 -10.829 12.839 1.00 0.00 C ATOM 0 H ALA A 32 6.489 -11.122 12.193 1.00 0.00 H new ATOM 0 HA ALA A 32 8.481 -9.027 11.769 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.007 -10.714 12.755 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.590 -10.417 13.791 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.669 -11.887 12.791 1.00 0.00 H new ATOM 505 N ARG A 33 7.862 -11.032 9.484 1.00 0.00 N ATOM 506 CA ARG A 33 8.245 -11.538 8.170 1.00 0.00 C ATOM 507 C ARG A 33 8.158 -10.443 7.109 1.00 0.00 C ATOM 508 O ARG A 33 8.053 -10.732 5.917 1.00 0.00 O ATOM 509 CB ARG A 33 7.352 -12.715 7.775 1.00 0.00 C ATOM 510 CG ARG A 33 7.340 -13.840 8.798 1.00 0.00 C ATOM 511 CD ARG A 33 7.496 -15.200 8.135 1.00 0.00 C ATOM 512 NE ARG A 33 7.005 -16.283 8.985 1.00 0.00 N ATOM 513 CZ ARG A 33 7.339 -17.561 8.822 1.00 0.00 C ATOM 514 NH1 ARG A 33 8.161 -17.921 7.844 1.00 0.00 N ATOM 515 NH2 ARG A 33 6.848 -18.483 9.639 1.00 0.00 N ATOM 0 H ARG A 33 6.859 -11.048 9.667 1.00 0.00 H new ATOM 0 HA ARG A 33 9.280 -11.875 8.230 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.333 -12.355 7.631 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.689 -13.110 6.817 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.147 -13.689 9.515 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.406 -13.813 9.359 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.954 -15.207 7.190 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.547 -15.371 7.901 1.00 0.00 H new ATOM 0 HE ARG A 33 6.370 -16.046 9.747 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.541 -17.216 7.212 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.413 -18.902 7.725 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.215 -18.212 10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.103 -19.463 9.515 1.00 0.00 H new ATOM 529 N PHE A 34 8.201 -9.188 7.546 1.00 0.00 N ATOM 530 CA PHE A 34 8.125 -8.058 6.634 1.00 0.00 C ATOM 531 C PHE A 34 9.386 -7.958 5.781 1.00 0.00 C ATOM 532 O PHE A 34 10.493 -8.207 6.259 1.00 0.00 O ATOM 533 CB PHE A 34 7.923 -6.768 7.425 1.00 0.00 C ATOM 534 CG PHE A 34 9.079 -6.423 8.321 1.00 0.00 C ATOM 535 CD1 PHE A 34 10.252 -5.909 7.793 1.00 0.00 C ATOM 536 CD2 PHE A 34 8.992 -6.613 9.691 1.00 0.00 C ATOM 537 CE1 PHE A 34 11.317 -5.591 8.614 1.00 0.00 C ATOM 538 CE2 PHE A 34 10.053 -6.297 10.518 1.00 0.00 C ATOM 539 CZ PHE A 34 11.218 -5.786 9.978 1.00 0.00 C ATOM 0 H PHE A 34 8.288 -8.930 8.529 1.00 0.00 H new ATOM 0 HA PHE A 34 7.276 -8.210 5.967 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.757 -5.947 6.728 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.021 -6.860 8.030 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.335 -5.755 6.727 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.084 -7.013 10.117 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.226 -5.190 8.190 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.972 -6.449 11.584 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.050 -5.540 10.621 1.00 0.00 H new ATOM 549 N ASP A 35 9.211 -7.587 4.516 1.00 0.00 N ATOM 550 CA ASP A 35 10.335 -7.449 3.598 1.00 0.00 C ATOM 551 C ASP A 35 10.720 -5.983 3.435 1.00 0.00 C ATOM 552 O ASP A 35 9.894 -5.152 3.061 1.00 0.00 O ATOM 553 CB ASP A 35 9.987 -8.054 2.236 1.00 0.00 C ATOM 554 CG ASP A 35 11.215 -8.525 1.481 1.00 0.00 C ATOM 555 OD1 ASP A 35 12.193 -8.938 2.138 1.00 0.00 O ATOM 556 OD2 ASP A 35 11.197 -8.482 0.233 1.00 0.00 O ATOM 0 H ASP A 35 8.302 -7.377 4.104 1.00 0.00 H new ATOM 0 HA ASP A 35 11.186 -7.987 4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.307 -8.894 2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.458 -7.313 1.637 1.00 0.00 H new ATOM 561 N ARG A 36 11.979 -5.670 3.722 1.00 0.00 N ATOM 562 CA ARG A 36 12.472 -4.302 3.612 1.00 0.00 C ATOM 563 C ARG A 36 12.350 -3.781 2.181 1.00 0.00 C ATOM 564 O ARG A 36 12.337 -2.572 1.952 1.00 0.00 O ATOM 565 CB ARG A 36 13.930 -4.226 4.070 1.00 0.00 C ATOM 566 CG ARG A 36 14.289 -2.907 4.736 1.00 0.00 C ATOM 567 CD ARG A 36 15.630 -2.379 4.248 1.00 0.00 C ATOM 568 NE ARG A 36 16.699 -2.621 5.214 1.00 0.00 N ATOM 569 CZ ARG A 36 16.895 -1.882 6.303 1.00 0.00 C ATOM 570 NH1 ARG A 36 16.097 -0.855 6.569 1.00 0.00 N ATOM 571 NH2 ARG A 36 17.891 -2.170 7.129 1.00 0.00 N ATOM 0 H ARG A 36 12.677 -6.346 4.033 1.00 0.00 H new ATOM 0 HA ARG A 36 11.858 -3.674 4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.127 -5.041 4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.581 -4.378 3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.511 -2.172 4.530 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.322 -3.042 5.817 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.883 -2.854 3.300 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.550 -1.309 4.056 1.00 0.00 H new ATOM 0 HE ARG A 36 17.332 -3.402 5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.329 -0.629 5.937 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.252 -0.292 7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.507 -2.958 6.930 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.041 -1.603 7.964 1.00 0.00 H new ATOM 585 N HIS A 37 12.264 -4.697 1.221 1.00 0.00 N ATOM 586 CA HIS A 37 12.149 -4.322 -0.184 1.00 0.00 C ATOM 587 C HIS A 37 10.687 -4.164 -0.598 1.00 0.00 C ATOM 588 O HIS A 37 10.376 -3.426 -1.533 1.00 0.00 O ATOM 589 CB HIS A 37 12.829 -5.368 -1.069 1.00 0.00 C ATOM 590 CG HIS A 37 14.322 -5.362 -0.963 1.00 0.00 C ATOM 591 ND1 HIS A 37 15.110 -4.354 -1.478 1.00 0.00 N ATOM 592 CD2 HIS A 37 15.174 -6.250 -0.397 1.00 0.00 C ATOM 593 CE1 HIS A 37 16.380 -4.622 -1.235 1.00 0.00 C ATOM 594 NE2 HIS A 37 16.446 -5.766 -0.579 1.00 0.00 N ATOM 0 H HIS A 37 12.272 -5.703 1.390 1.00 0.00 H new ATOM 0 HA HIS A 37 12.647 -3.361 -0.314 1.00 0.00 H new ATOM 0 HB2 HIS A 37 12.458 -6.357 -0.799 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.546 -5.193 -2.107 1.00 0.00 H new ATOM 0 HD2 HIS A 37 14.903 -7.168 0.104 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.221 -4.010 -1.524 1.00 0.00 H new ATOM 0 HE2 HIS A 37 17.303 -6.217 -0.259 1.00 0.00 H new ATOM 603 N LEU A 38 9.796 -4.863 0.096 1.00 0.00 N ATOM 604 CA LEU A 38 8.370 -4.800 -0.210 1.00 0.00 C ATOM 605 C LEU A 38 7.661 -3.760 0.654 1.00 0.00 C ATOM 606 O LEU A 38 6.598 -3.258 0.287 1.00 0.00 O ATOM 607 CB LEU A 38 7.725 -6.172 -0.008 1.00 0.00 C ATOM 608 CG LEU A 38 8.356 -7.309 -0.813 1.00 0.00 C ATOM 609 CD1 LEU A 38 7.674 -8.631 -0.496 1.00 0.00 C ATOM 610 CD2 LEU A 38 8.279 -7.012 -2.304 1.00 0.00 C ATOM 0 H LEU A 38 10.034 -5.479 0.873 1.00 0.00 H new ATOM 0 HA LEU A 38 8.266 -4.502 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.773 -6.427 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.670 -6.103 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 38 9.406 -7.389 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.137 -9.428 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.780 -8.850 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.616 -8.564 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.733 -7.831 -2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.236 -6.905 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.814 -6.087 -2.519 1.00 0.00 H new ATOM 622 N PHE A 39 8.249 -3.441 1.802 1.00 0.00 N ATOM 623 CA PHE A 39 7.666 -2.462 2.712 1.00 0.00 C ATOM 624 C PHE A 39 8.533 -1.211 2.799 1.00 0.00 C ATOM 625 O PHE A 39 9.729 -1.250 2.509 1.00 0.00 O ATOM 626 CB PHE A 39 7.492 -3.072 4.105 1.00 0.00 C ATOM 627 CG PHE A 39 6.308 -3.990 4.215 1.00 0.00 C ATOM 628 CD1 PHE A 39 5.028 -3.525 3.959 1.00 0.00 C ATOM 629 CD2 PHE A 39 6.476 -5.317 4.575 1.00 0.00 C ATOM 630 CE1 PHE A 39 3.937 -4.368 4.060 1.00 0.00 C ATOM 631 CE2 PHE A 39 5.389 -6.164 4.678 1.00 0.00 C ATOM 632 CZ PHE A 39 4.118 -5.689 4.420 1.00 0.00 C ATOM 0 H PHE A 39 9.128 -3.846 2.124 1.00 0.00 H new ATOM 0 HA PHE A 39 6.690 -2.177 2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.395 -3.624 4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.387 -2.268 4.834 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.881 -2.493 3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.468 -5.694 4.777 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.944 -3.994 3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.533 -7.197 4.960 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.267 -6.349 4.500 1.00 0.00 H new ATOM 642 N GLN A 40 7.920 -0.103 3.200 1.00 0.00 N ATOM 643 CA GLN A 40 8.632 1.163 3.327 1.00 0.00 C ATOM 644 C GLN A 40 9.388 1.229 4.651 1.00 0.00 C ATOM 645 O GLN A 40 9.271 0.336 5.490 1.00 0.00 O ATOM 646 CB GLN A 40 7.653 2.335 3.221 1.00 0.00 C ATOM 647 CG GLN A 40 7.858 3.188 1.980 1.00 0.00 C ATOM 648 CD GLN A 40 9.161 3.964 2.015 1.00 0.00 C ATOM 649 OE1 GLN A 40 10.071 3.707 1.227 1.00 0.00 O ATOM 650 NE2 GLN A 40 9.255 4.919 2.933 1.00 0.00 N ATOM 0 H GLN A 40 6.930 -0.056 3.443 1.00 0.00 H new ATOM 0 HA GLN A 40 9.355 1.231 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.634 1.948 3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.755 2.964 4.105 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.844 2.548 1.097 1.00 0.00 H new ATOM 0 HG3 GLN A 40 7.026 3.886 1.882 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.475 5.097 3.565 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.107 5.475 3.006 1.00 0.00 H new ATOM 659 N THR A 41 10.163 2.294 4.832 1.00 0.00 N ATOM 660 CA THR A 41 10.938 2.476 6.054 1.00 0.00 C ATOM 661 C THR A 41 10.033 2.843 7.225 1.00 0.00 C ATOM 662 O THR A 41 10.331 2.523 8.376 1.00 0.00 O ATOM 663 CB THR A 41 11.996 3.562 5.853 1.00 0.00 C ATOM 664 OG1 THR A 41 11.390 4.801 5.532 1.00 0.00 O ATOM 665 CG2 THR A 41 12.985 3.236 4.755 1.00 0.00 C ATOM 0 H THR A 41 10.271 3.043 4.148 1.00 0.00 H new ATOM 0 HA THR A 41 11.433 1.532 6.284 1.00 0.00 H new ATOM 0 HB THR A 41 12.533 3.620 6.799 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.084 5.482 5.409 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.708 4.047 4.664 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.506 2.310 4.998 1.00 0.00 H new ATOM 0 HG23 THR A 41 12.454 3.116 3.811 1.00 0.00 H new ATOM 673 N ARG A 42 8.926 3.515 6.925 1.00 0.00 N ATOM 674 CA ARG A 42 7.978 3.924 7.955 1.00 0.00 C ATOM 675 C ARG A 42 6.847 2.908 8.096 1.00 0.00 C ATOM 676 O ARG A 42 5.771 3.232 8.600 1.00 0.00 O ATOM 677 CB ARG A 42 7.402 5.302 7.628 1.00 0.00 C ATOM 678 CG ARG A 42 7.149 6.163 8.855 1.00 0.00 C ATOM 679 CD ARG A 42 8.245 7.199 9.047 1.00 0.00 C ATOM 680 NE ARG A 42 8.532 7.439 10.459 1.00 0.00 N ATOM 681 CZ ARG A 42 9.311 6.655 11.202 1.00 0.00 C ATOM 682 NH1 ARG A 42 9.879 5.578 10.673 1.00 0.00 N ATOM 683 NH2 ARG A 42 9.523 6.950 12.477 1.00 0.00 N ATOM 0 H ARG A 42 8.664 3.788 5.978 1.00 0.00 H new ATOM 0 HA ARG A 42 8.513 3.975 8.903 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.089 5.825 6.963 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.466 5.175 7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.186 6.665 8.756 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.088 5.529 9.739 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.152 6.864 8.545 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.946 8.134 8.574 1.00 0.00 H new ATOM 0 HE ARG A 42 8.111 8.255 10.902 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.720 5.347 9.692 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.475 4.981 11.247 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.090 7.777 12.888 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.119 6.350 13.047 1.00 0.00 H new ATOM 697 N ALA A 43 7.093 1.679 7.650 1.00 0.00 N ATOM 698 CA ALA A 43 6.092 0.622 7.731 1.00 0.00 C ATOM 699 C ALA A 43 6.414 -0.351 8.859 1.00 0.00 C ATOM 700 O ALA A 43 7.104 -1.350 8.653 1.00 0.00 O ATOM 701 CB ALA A 43 5.995 -0.117 6.404 1.00 0.00 C ATOM 0 H ALA A 43 7.977 1.392 7.229 1.00 0.00 H new ATOM 0 HA ALA A 43 5.128 1.083 7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.244 -0.903 6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.710 0.582 5.618 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.961 -0.560 6.163 1.00 0.00 H new ATOM 707 N THR A 44 5.912 -0.053 10.053 1.00 0.00 N ATOM 708 CA THR A 44 6.148 -0.901 11.216 1.00 0.00 C ATOM 709 C THR A 44 4.856 -1.566 11.682 1.00 0.00 C ATOM 710 O THR A 44 4.881 -2.653 12.259 1.00 0.00 O ATOM 711 CB THR A 44 6.752 -0.080 12.357 1.00 0.00 C ATOM 712 OG1 THR A 44 5.949 1.052 12.639 1.00 0.00 O ATOM 713 CG2 THR A 44 8.153 0.411 12.064 1.00 0.00 C ATOM 0 H THR A 44 5.339 0.770 10.241 1.00 0.00 H new ATOM 0 HA THR A 44 6.851 -1.682 10.925 1.00 0.00 H new ATOM 0 HB THR A 44 6.793 -0.757 13.210 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.350 1.563 13.372 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.522 0.986 12.913 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.809 -0.442 11.891 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.139 1.044 11.176 1.00 0.00 H new ATOM 721 N THR A 45 3.728 -0.909 11.428 1.00 0.00 N ATOM 722 CA THR A 45 2.429 -1.441 11.823 1.00 0.00 C ATOM 723 C THR A 45 1.446 -1.401 10.658 1.00 0.00 C ATOM 724 O THR A 45 1.746 -0.851 9.598 1.00 0.00 O ATOM 725 CB THR A 45 1.867 -0.649 13.005 1.00 0.00 C ATOM 726 OG1 THR A 45 1.662 0.706 12.649 1.00 0.00 O ATOM 727 CG2 THR A 45 2.764 -0.673 14.223 1.00 0.00 C ATOM 0 H THR A 45 3.688 -0.008 10.951 1.00 0.00 H new ATOM 0 HA THR A 45 2.568 -2.480 12.123 1.00 0.00 H new ATOM 0 HB THR A 45 0.926 -1.138 13.258 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.301 1.195 13.418 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.306 -0.092 15.024 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.901 -1.703 14.554 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.732 -0.241 13.970 1.00 0.00 H new ATOM 735 N LEU A 46 0.271 -1.987 10.863 1.00 0.00 N ATOM 736 CA LEU A 46 -0.758 -2.019 9.830 1.00 0.00 C ATOM 737 C LEU A 46 -1.203 -0.607 9.462 1.00 0.00 C ATOM 738 O LEU A 46 -1.334 -0.274 8.284 1.00 0.00 O ATOM 739 CB LEU A 46 -1.960 -2.837 10.306 1.00 0.00 C ATOM 740 CG LEU A 46 -1.637 -4.266 10.745 1.00 0.00 C ATOM 741 CD1 LEU A 46 -2.735 -4.808 11.646 1.00 0.00 C ATOM 742 CD2 LEU A 46 -1.448 -5.164 9.532 1.00 0.00 C ATOM 0 H LEU A 46 0.008 -2.446 11.735 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.334 -2.490 8.943 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.429 -2.314 11.140 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.694 -2.877 9.502 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.706 -4.252 11.311 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.488 -5.826 11.949 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.824 -4.178 12.531 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.682 -4.810 11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.219 -6.177 9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.363 -5.173 8.940 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.626 -4.786 8.924 1.00 0.00 H new ATOM 754 N GLN A 47 -1.432 0.219 10.477 1.00 0.00 N ATOM 755 CA GLN A 47 -1.862 1.595 10.261 1.00 0.00 C ATOM 756 C GLN A 47 -0.755 2.410 9.600 1.00 0.00 C ATOM 757 O GLN A 47 -1.024 3.314 8.809 1.00 0.00 O ATOM 758 CB GLN A 47 -2.266 2.241 11.588 1.00 0.00 C ATOM 759 CG GLN A 47 -1.142 2.288 12.610 1.00 0.00 C ATOM 760 CD GLN A 47 -1.382 3.322 13.692 1.00 0.00 C ATOM 761 OE1 GLN A 47 -1.372 3.006 14.882 1.00 0.00 O ATOM 762 NE2 GLN A 47 -1.600 4.567 13.284 1.00 0.00 N ATOM 0 H GLN A 47 -1.327 -0.041 11.458 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.726 1.581 9.597 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.615 3.256 11.397 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.106 1.690 12.010 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.032 1.306 13.069 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.203 2.510 12.102 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.599 4.785 12.287 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.768 5.306 13.967 1.00 0.00 H new ATOM 771 N ALA A 48 0.491 2.081 9.927 1.00 0.00 N ATOM 772 CA ALA A 48 1.637 2.780 9.361 1.00 0.00 C ATOM 773 C ALA A 48 1.818 2.422 7.891 1.00 0.00 C ATOM 774 O ALA A 48 2.249 3.249 7.088 1.00 0.00 O ATOM 775 CB ALA A 48 2.898 2.452 10.149 1.00 0.00 C ATOM 0 H ALA A 48 0.731 1.335 10.580 1.00 0.00 H new ATOM 0 HA ALA A 48 1.452 3.852 9.429 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.746 2.981 9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.770 2.761 11.186 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.082 1.378 10.111 1.00 0.00 H new ATOM 781 N CYS A 49 1.481 1.184 7.545 1.00 0.00 N ATOM 782 CA CYS A 49 1.600 0.714 6.171 1.00 0.00 C ATOM 783 C CYS A 49 0.523 1.341 5.292 1.00 0.00 C ATOM 784 O CYS A 49 0.805 1.827 4.197 1.00 0.00 O ATOM 785 CB CYS A 49 1.498 -0.812 6.120 1.00 0.00 C ATOM 786 SG CYS A 49 2.755 -1.601 5.087 1.00 0.00 S ATOM 0 H CYS A 49 1.123 0.488 8.199 1.00 0.00 H new ATOM 0 HA CYS A 49 2.576 1.015 5.790 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.577 -1.205 7.134 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.511 -1.087 5.747 1.00 0.00 H new ATOM 0 HG CYS A 49 2.939 -0.894 4.012 1.00 0.00 H new ATOM 792 N LEU A 50 -0.713 1.331 5.784 1.00 0.00 N ATOM 793 CA LEU A 50 -1.832 1.905 5.046 1.00 0.00 C ATOM 794 C LEU A 50 -1.633 3.404 4.851 1.00 0.00 C ATOM 795 O LEU A 50 -1.765 3.920 3.742 1.00 0.00 O ATOM 796 CB LEU A 50 -3.147 1.641 5.783 1.00 0.00 C ATOM 797 CG LEU A 50 -3.906 0.394 5.329 1.00 0.00 C ATOM 798 CD1 LEU A 50 -5.220 0.264 6.085 1.00 0.00 C ATOM 799 CD2 LEU A 50 -4.156 0.439 3.829 1.00 0.00 C ATOM 0 H LEU A 50 -0.964 0.932 6.689 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.876 1.430 4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.937 1.551 6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.796 2.508 5.658 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.294 -0.481 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.746 -0.629 5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.019 0.186 7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.837 1.142 5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.697 -0.456 3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.747 1.322 3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.203 0.484 3.302 1.00 0.00 H new ATOM 811 N ASP A 51 -1.310 4.096 5.939 1.00 0.00 N ATOM 812 CA ASP A 51 -1.086 5.536 5.890 1.00 0.00 C ATOM 813 C ASP A 51 0.070 5.868 4.952 1.00 0.00 C ATOM 814 O ASP A 51 0.038 6.872 4.241 1.00 0.00 O ATOM 815 CB ASP A 51 -0.794 6.076 7.291 1.00 0.00 C ATOM 816 CG ASP A 51 -0.873 7.589 7.356 1.00 0.00 C ATOM 817 OD1 ASP A 51 -0.345 8.251 6.437 1.00 0.00 O ATOM 818 OD2 ASP A 51 -1.462 8.112 8.325 1.00 0.00 O ATOM 0 H ASP A 51 -1.198 3.683 6.865 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.991 6.010 5.509 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.504 5.647 7.998 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.200 5.753 7.602 1.00 0.00 H new ATOM 823 N GLU A 52 1.087 5.013 4.954 1.00 0.00 N ATOM 824 CA GLU A 52 2.252 5.210 4.100 1.00 0.00 C ATOM 825 C GLU A 52 1.877 5.042 2.632 1.00 0.00 C ATOM 826 O GLU A 52 2.321 5.806 1.775 1.00 0.00 O ATOM 827 CB GLU A 52 3.359 4.221 4.473 1.00 0.00 C ATOM 828 CG GLU A 52 4.296 4.736 5.553 1.00 0.00 C ATOM 829 CD GLU A 52 5.202 5.846 5.058 1.00 0.00 C ATOM 830 OE1 GLU A 52 4.701 6.969 4.842 1.00 0.00 O ATOM 831 OE2 GLU A 52 6.413 5.591 4.886 1.00 0.00 O ATOM 0 H GLU A 52 1.128 4.177 5.537 1.00 0.00 H new ATOM 0 HA GLU A 52 2.619 6.225 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.904 3.290 4.812 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.940 3.986 3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.708 5.100 6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.906 3.912 5.923 1.00 0.00 H new ATOM 838 N ALA A 53 1.052 4.038 2.351 1.00 0.00 N ATOM 839 CA ALA A 53 0.611 3.772 0.989 1.00 0.00 C ATOM 840 C ALA A 53 -0.153 4.964 0.425 1.00 0.00 C ATOM 841 O ALA A 53 0.072 5.378 -0.712 1.00 0.00 O ATOM 842 CB ALA A 53 -0.252 2.520 0.948 1.00 0.00 C ATOM 0 H ALA A 53 0.676 3.396 3.049 1.00 0.00 H new ATOM 0 HA ALA A 53 1.493 3.609 0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.574 2.334 -0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.325 1.668 1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.126 2.660 1.584 1.00 0.00 H new ATOM 848 N GLY A 54 -1.055 5.515 1.231 1.00 0.00 N ATOM 849 CA GLY A 54 -1.835 6.658 0.799 1.00 0.00 C ATOM 850 C GLY A 54 -0.966 7.866 0.508 1.00 0.00 C ATOM 851 O GLY A 54 -1.179 8.570 -0.479 1.00 0.00 O ATOM 0 H GLY A 54 -1.259 5.189 2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.399 6.394 -0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.562 6.912 1.570 1.00 0.00 H new ATOM 855 N ASP A 55 0.019 8.101 1.369 1.00 0.00 N ATOM 856 CA ASP A 55 0.928 9.227 1.200 1.00 0.00 C ATOM 857 C ASP A 55 1.737 9.076 -0.084 1.00 0.00 C ATOM 858 O ASP A 55 1.940 10.042 -0.819 1.00 0.00 O ATOM 859 CB ASP A 55 1.870 9.335 2.401 1.00 0.00 C ATOM 860 CG ASP A 55 2.746 10.571 2.340 1.00 0.00 C ATOM 861 OD1 ASP A 55 2.202 11.674 2.119 1.00 0.00 O ATOM 862 OD2 ASP A 55 3.975 10.437 2.512 1.00 0.00 O ATOM 0 H ASP A 55 0.207 7.526 2.190 1.00 0.00 H new ATOM 0 HA ASP A 55 0.334 10.138 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.283 9.354 3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.501 8.448 2.445 1.00 0.00 H new ATOM 867 N ASN A 56 2.191 7.855 -0.348 1.00 0.00 N ATOM 868 CA ASN A 56 2.973 7.575 -1.546 1.00 0.00 C ATOM 869 C ASN A 56 2.133 7.794 -2.799 1.00 0.00 C ATOM 870 O ASN A 56 2.636 8.252 -3.825 1.00 0.00 O ATOM 871 CB ASN A 56 3.498 6.138 -1.513 1.00 0.00 C ATOM 872 CG ASN A 56 4.436 5.893 -0.348 1.00 0.00 C ATOM 873 OD1 ASN A 56 4.907 6.832 0.294 1.00 0.00 O ATOM 874 ND2 ASN A 56 4.713 4.624 -0.068 1.00 0.00 N ATOM 0 H ASN A 56 2.031 7.045 0.251 1.00 0.00 H new ATOM 0 HA ASN A 56 3.820 8.261 -1.570 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.657 5.448 -1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.018 5.922 -2.446 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.338 4.397 0.705 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.300 3.877 -0.626 1.00 0.00 H new ATOM 881 N LEU A 57 0.847 7.468 -2.706 1.00 0.00 N ATOM 882 CA LEU A 57 -0.066 7.634 -3.830 1.00 0.00 C ATOM 883 C LEU A 57 -0.215 9.109 -4.189 1.00 0.00 C ATOM 884 O LEU A 57 -0.127 9.486 -5.357 1.00 0.00 O ATOM 885 CB LEU A 57 -1.434 7.033 -3.495 1.00 0.00 C ATOM 886 CG LEU A 57 -1.696 5.646 -4.091 1.00 0.00 C ATOM 887 CD1 LEU A 57 -2.104 4.663 -3.005 1.00 0.00 C ATOM 888 CD2 LEU A 57 -2.764 5.722 -5.172 1.00 0.00 C ATOM 0 H LEU A 57 0.415 7.088 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 57 0.350 7.109 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.531 6.970 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.209 7.715 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.772 5.289 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.285 3.684 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.306 4.584 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.014 5.015 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.937 4.728 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.691 6.103 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.431 6.391 -5.966 1.00 0.00 H new ATOM 900 N ALA A 58 -0.437 9.939 -3.174 1.00 0.00 N ATOM 901 CA ALA A 58 -0.592 11.373 -3.381 1.00 0.00 C ATOM 902 C ALA A 58 0.661 11.969 -4.011 1.00 0.00 C ATOM 903 O ALA A 58 0.580 12.841 -4.876 1.00 0.00 O ATOM 904 CB ALA A 58 -0.905 12.066 -2.063 1.00 0.00 C ATOM 0 H ALA A 58 -0.513 9.642 -2.201 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.425 11.531 -4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.018 13.137 -2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.831 11.664 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.091 11.894 -1.359 1.00 0.00 H new ATOM 910 N ALA A 59 1.820 11.487 -3.574 1.00 0.00 N ATOM 911 CA ALA A 59 3.093 11.967 -4.097 1.00 0.00 C ATOM 912 C ALA A 59 3.256 11.580 -5.562 1.00 0.00 C ATOM 913 O ALA A 59 3.842 12.322 -6.350 1.00 0.00 O ATOM 914 CB ALA A 59 4.245 11.416 -3.271 1.00 0.00 C ATOM 0 H ALA A 59 1.903 10.764 -2.859 1.00 0.00 H new ATOM 0 HA ALA A 59 3.103 13.055 -4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.189 11.783 -3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.140 11.743 -2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.233 10.327 -3.310 1.00 0.00 H new ATOM 920 N LEU A 60 2.729 10.414 -5.921 1.00 0.00 N ATOM 921 CA LEU A 60 2.811 9.927 -7.292 1.00 0.00 C ATOM 922 C LEU A 60 2.025 10.835 -8.232 1.00 0.00 C ATOM 923 O LEU A 60 2.507 11.204 -9.303 1.00 0.00 O ATOM 924 CB LEU A 60 2.278 8.495 -7.380 1.00 0.00 C ATOM 925 CG LEU A 60 2.461 7.817 -8.740 1.00 0.00 C ATOM 926 CD1 LEU A 60 3.079 6.437 -8.574 1.00 0.00 C ATOM 927 CD2 LEU A 60 1.131 7.722 -9.473 1.00 0.00 C ATOM 0 H LEU A 60 2.240 9.789 -5.280 1.00 0.00 H new ATOM 0 HA LEU A 60 3.858 9.934 -7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.775 7.891 -6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.216 8.503 -7.136 1.00 0.00 H new ATOM 0 HG LEU A 60 3.140 8.426 -9.337 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.200 5.973 -9.553 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.053 6.530 -8.093 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.427 5.818 -7.957 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.281 7.237 -10.438 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.429 7.137 -8.878 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.729 8.723 -9.629 1.00 0.00 H new ATOM 939 N ARG A 61 0.814 11.195 -7.820 1.00 0.00 N ATOM 940 CA ARG A 61 -0.038 12.065 -8.622 1.00 0.00 C ATOM 941 C ARG A 61 0.565 13.462 -8.726 1.00 0.00 C ATOM 942 O ARG A 61 0.419 14.140 -9.742 1.00 0.00 O ATOM 943 CB ARG A 61 -1.439 12.145 -8.013 1.00 0.00 C ATOM 944 CG ARG A 61 -2.521 12.505 -9.019 1.00 0.00 C ATOM 945 CD ARG A 61 -3.554 11.397 -9.153 1.00 0.00 C ATOM 946 NE ARG A 61 -3.139 10.374 -10.110 1.00 0.00 N ATOM 947 CZ ARG A 61 -3.224 10.516 -11.430 1.00 0.00 C ATOM 948 NH1 ARG A 61 -3.708 11.635 -11.955 1.00 0.00 N ATOM 949 NH2 ARG A 61 -2.825 9.536 -12.229 1.00 0.00 N ATOM 0 H ARG A 61 0.401 10.898 -6.936 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.111 11.642 -9.624 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.683 11.185 -7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.437 12.886 -7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.014 13.427 -8.710 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.066 12.698 -9.990 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.720 10.936 -8.179 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.505 11.825 -9.469 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.762 9.500 -9.745 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.017 12.392 -11.346 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.771 11.738 -12.968 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.453 8.673 -11.832 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.890 9.645 -13.241 1.00 0.00 H new ATOM 963 N HIS A 62 1.248 13.882 -7.666 1.00 0.00 N ATOM 964 CA HIS A 62 1.880 15.195 -7.635 1.00 0.00 C ATOM 965 C HIS A 62 3.169 15.193 -8.450 1.00 0.00 C ATOM 966 O HIS A 62 3.554 16.212 -9.025 1.00 0.00 O ATOM 967 CB HIS A 62 2.174 15.607 -6.191 1.00 0.00 C ATOM 968 CG HIS A 62 2.481 17.064 -6.036 1.00 0.00 C ATOM 969 ND1 HIS A 62 1.603 17.963 -5.467 1.00 0.00 N ATOM 970 CD2 HIS A 62 3.579 17.779 -6.378 1.00 0.00 C ATOM 971 CE1 HIS A 62 2.147 19.167 -5.466 1.00 0.00 C ATOM 972 NE2 HIS A 62 3.346 19.082 -6.013 1.00 0.00 N ATOM 0 H HIS A 62 1.378 13.332 -6.817 1.00 0.00 H new ATOM 0 HA HIS A 62 1.192 15.916 -8.077 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.315 15.357 -5.568 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.017 15.025 -5.820 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.472 17.396 -6.850 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.689 20.067 -5.083 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.994 19.859 -6.143 1.00 0.00 H new ATOM 981 N ALA A 63 3.833 14.042 -8.494 1.00 0.00 N ATOM 982 CA ALA A 63 5.079 13.905 -9.237 1.00 0.00 C ATOM 983 C ALA A 63 4.851 14.073 -10.735 1.00 0.00 C ATOM 984 O ALA A 63 5.566 14.822 -11.401 1.00 0.00 O ATOM 985 CB ALA A 63 5.720 12.555 -8.947 1.00 0.00 C ATOM 0 H ALA A 63 3.528 13.190 -8.023 1.00 0.00 H new ATOM 0 HA ALA A 63 5.755 14.695 -8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.650 12.466 -9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.931 12.474 -7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.039 11.758 -9.244 1.00 0.00 H new ATOM 991 N VAL A 64 3.851 13.372 -11.262 1.00 0.00 N ATOM 992 CA VAL A 64 3.534 13.446 -12.685 1.00 0.00 C ATOM 993 C VAL A 64 3.348 14.892 -13.134 1.00 0.00 C ATOM 994 O VAL A 64 3.609 15.234 -14.287 1.00 0.00 O ATOM 995 CB VAL A 64 2.262 12.647 -13.025 1.00 0.00 C ATOM 996 CG1 VAL A 64 2.502 11.156 -12.841 1.00 0.00 C ATOM 997 CG2 VAL A 64 1.091 13.115 -12.175 1.00 0.00 C ATOM 0 H VAL A 64 3.248 12.748 -10.727 1.00 0.00 H new ATOM 0 HA VAL A 64 4.379 13.008 -13.217 1.00 0.00 H new ATOM 0 HB VAL A 64 2.014 12.825 -14.071 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.592 10.608 -13.086 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.308 10.833 -13.500 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.778 10.957 -11.805 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.202 12.538 -12.431 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.326 12.971 -11.121 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.904 14.172 -12.364 1.00 0.00 H new ATOM 1007 N GLU A 65 2.898 15.738 -12.213 1.00 0.00 N ATOM 1008 CA GLU A 65 2.681 17.148 -12.511 1.00 0.00 C ATOM 1009 C GLU A 65 4.008 17.896 -12.591 1.00 0.00 C ATOM 1010 O GLU A 65 4.137 18.876 -13.326 1.00 0.00 O ATOM 1011 CB GLU A 65 1.787 17.784 -11.446 1.00 0.00 C ATOM 1012 CG GLU A 65 0.475 17.046 -11.234 1.00 0.00 C ATOM 1013 CD GLU A 65 -0.572 17.410 -12.268 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -0.710 18.613 -12.575 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -1.254 16.492 -12.771 1.00 0.00 O ATOM 0 H GLU A 65 2.677 15.471 -11.254 1.00 0.00 H new ATOM 0 HA GLU A 65 2.186 17.218 -13.479 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.330 17.821 -10.502 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.573 18.814 -11.731 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.657 15.972 -11.269 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.092 17.272 -10.239 1.00 0.00 H new ATOM 1022 N GLN A 66 4.992 17.428 -11.829 1.00 0.00 N ATOM 1023 CA GLN A 66 6.309 18.054 -11.812 1.00 0.00 C ATOM 1024 C GLN A 66 7.272 17.339 -12.758 1.00 0.00 C ATOM 1025 O GLN A 66 8.490 17.445 -12.612 1.00 0.00 O ATOM 1026 CB GLN A 66 6.877 18.052 -10.392 1.00 0.00 C ATOM 1027 CG GLN A 66 7.653 19.313 -10.046 1.00 0.00 C ATOM 1028 CD GLN A 66 7.920 19.443 -8.560 1.00 0.00 C ATOM 1029 OE1 GLN A 66 7.035 19.815 -7.789 1.00 0.00 O ATOM 1030 NE2 GLN A 66 9.145 19.137 -8.150 1.00 0.00 N ATOM 0 H GLN A 66 4.902 16.618 -11.216 1.00 0.00 H new ATOM 0 HA GLN A 66 6.196 19.083 -12.153 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.058 17.933 -9.682 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.531 17.188 -10.272 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.602 19.310 -10.583 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.095 20.184 -10.389 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.847 18.833 -8.824 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.384 19.206 -7.161 1.00 0.00 H new ATOM 1039 N GLN A 67 6.722 16.614 -13.727 1.00 0.00 N ATOM 1040 CA GLN A 67 7.538 15.888 -14.694 1.00 0.00 C ATOM 1041 C GLN A 67 8.428 14.861 -14.000 1.00 0.00 C ATOM 1042 O GLN A 67 9.590 14.685 -14.364 1.00 0.00 O ATOM 1043 CB GLN A 67 8.397 16.864 -15.500 1.00 0.00 C ATOM 1044 CG GLN A 67 7.588 17.923 -16.232 1.00 0.00 C ATOM 1045 CD GLN A 67 6.802 17.352 -17.396 1.00 0.00 C ATOM 1046 OE1 GLN A 67 7.352 17.100 -18.468 1.00 0.00 O ATOM 1047 NE2 GLN A 67 5.506 17.147 -17.191 1.00 0.00 N ATOM 0 H GLN A 67 5.716 16.514 -13.863 1.00 0.00 H new ATOM 0 HA GLN A 67 6.868 15.358 -15.371 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.101 17.356 -14.829 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.987 16.303 -16.225 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.901 18.399 -15.532 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.259 18.700 -16.597 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.091 17.370 -16.286 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.925 16.766 -17.938 1.00 0.00 H new ATOM 1056 N GLN A 68 7.873 14.182 -13.001 1.00 0.00 N ATOM 1057 CA GLN A 68 8.615 13.170 -12.258 1.00 0.00 C ATOM 1058 C GLN A 68 8.284 11.771 -12.772 1.00 0.00 C ATOM 1059 O GLN A 68 8.189 10.819 -11.997 1.00 0.00 O ATOM 1060 CB GLN A 68 8.304 13.270 -10.763 1.00 0.00 C ATOM 1061 CG GLN A 68 9.286 14.140 -9.996 1.00 0.00 C ATOM 1062 CD GLN A 68 8.689 14.711 -8.725 1.00 0.00 C ATOM 1063 OE1 GLN A 68 7.807 15.568 -8.770 1.00 0.00 O ATOM 1064 NE2 GLN A 68 9.169 14.237 -7.581 1.00 0.00 N ATOM 0 H GLN A 68 6.911 14.314 -12.687 1.00 0.00 H new ATOM 0 HA GLN A 68 9.680 13.350 -12.408 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.299 13.671 -10.635 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.305 12.269 -10.332 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.169 13.551 -9.746 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.619 14.957 -10.636 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.901 13.526 -7.590 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.806 14.584 -6.693 1.00 0.00 H new ATOM 1073 N LEU A 69 8.108 11.658 -14.086 1.00 0.00 N ATOM 1074 CA LEU A 69 7.784 10.380 -14.717 1.00 0.00 C ATOM 1075 C LEU A 69 8.675 9.253 -14.193 1.00 0.00 C ATOM 1076 O LEU A 69 8.183 8.288 -13.608 1.00 0.00 O ATOM 1077 CB LEU A 69 7.925 10.491 -16.236 1.00 0.00 C ATOM 1078 CG LEU A 69 6.671 10.968 -16.970 1.00 0.00 C ATOM 1079 CD1 LEU A 69 5.483 10.084 -16.628 1.00 0.00 C ATOM 1080 CD2 LEU A 69 6.374 12.420 -16.625 1.00 0.00 C ATOM 0 H LEU A 69 8.185 12.439 -14.737 1.00 0.00 H new ATOM 0 HA LEU A 69 6.751 10.138 -14.465 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.742 11.177 -16.460 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.210 9.516 -16.631 1.00 0.00 H new ATOM 0 HG LEU A 69 6.852 10.898 -18.043 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.600 10.439 -17.160 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.696 9.057 -16.924 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.299 10.121 -15.554 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.479 12.744 -17.155 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.213 12.513 -15.551 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.217 13.044 -16.921 1.00 0.00 H new ATOM 1092 N PRO A 70 10.001 9.356 -14.397 1.00 0.00 N ATOM 1093 CA PRO A 70 10.951 8.337 -13.941 1.00 0.00 C ATOM 1094 C PRO A 70 10.764 7.989 -12.468 1.00 0.00 C ATOM 1095 O PRO A 70 11.046 6.869 -12.044 1.00 0.00 O ATOM 1096 CB PRO A 70 12.329 8.981 -14.173 1.00 0.00 C ATOM 1097 CG PRO A 70 12.058 10.417 -14.482 1.00 0.00 C ATOM 1098 CD PRO A 70 10.683 10.463 -15.080 1.00 0.00 C ATOM 0 HA PRO A 70 10.818 7.397 -14.476 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.960 8.883 -13.290 1.00 0.00 H new ATOM 0 HB3 PRO A 70 12.854 8.496 -14.996 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.111 11.026 -13.580 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.799 10.812 -15.177 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.192 11.418 -14.895 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.706 10.321 -16.160 1.00 0.00 H new ATOM 1106 N GLN A 71 10.282 8.955 -11.693 1.00 0.00 N ATOM 1107 CA GLN A 71 10.053 8.748 -10.268 1.00 0.00 C ATOM 1108 C GLN A 71 8.763 7.967 -10.035 1.00 0.00 C ATOM 1109 O GLN A 71 8.645 7.219 -9.065 1.00 0.00 O ATOM 1110 CB GLN A 71 9.990 10.092 -9.539 1.00 0.00 C ATOM 1111 CG GLN A 71 11.300 10.486 -8.875 1.00 0.00 C ATOM 1112 CD GLN A 71 12.115 11.446 -9.719 1.00 0.00 C ATOM 1113 OE1 GLN A 71 12.330 12.597 -9.338 1.00 0.00 O ATOM 1114 NE2 GLN A 71 12.575 10.976 -10.872 1.00 0.00 N ATOM 0 H GLN A 71 10.043 9.888 -12.028 1.00 0.00 H new ATOM 0 HA GLN A 71 10.886 8.168 -9.871 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.704 10.868 -10.249 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.207 10.049 -8.782 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.090 10.945 -7.909 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.889 9.589 -8.680 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.373 10.015 -11.148 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.131 11.576 -11.482 1.00 0.00 H new ATOM 1123 N VAL A 72 7.798 8.149 -10.931 1.00 0.00 N ATOM 1124 CA VAL A 72 6.517 7.463 -10.825 1.00 0.00 C ATOM 1125 C VAL A 72 6.689 5.953 -10.947 1.00 0.00 C ATOM 1126 O VAL A 72 5.959 5.182 -10.324 1.00 0.00 O ATOM 1127 CB VAL A 72 5.530 7.944 -11.906 1.00 0.00 C ATOM 1128 CG1 VAL A 72 4.148 7.351 -11.674 1.00 0.00 C ATOM 1129 CG2 VAL A 72 5.469 9.464 -11.934 1.00 0.00 C ATOM 0 H VAL A 72 7.880 8.766 -11.739 1.00 0.00 H new ATOM 0 HA VAL A 72 6.112 7.702 -9.841 1.00 0.00 H new ATOM 0 HB VAL A 72 5.887 7.599 -12.876 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.466 7.703 -12.448 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.208 6.263 -11.711 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.778 7.661 -10.697 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.767 9.786 -12.703 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.138 9.833 -10.963 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.459 9.864 -12.156 1.00 0.00 H new ATOM 1139 N ALA A 73 7.657 5.535 -11.756 1.00 0.00 N ATOM 1140 CA ALA A 73 7.923 4.117 -11.960 1.00 0.00 C ATOM 1141 C ALA A 73 8.283 3.430 -10.647 1.00 0.00 C ATOM 1142 O ALA A 73 7.809 2.332 -10.358 1.00 0.00 O ATOM 1143 CB ALA A 73 9.038 3.930 -12.978 1.00 0.00 C ATOM 0 H ALA A 73 8.270 6.159 -12.281 1.00 0.00 H new ATOM 0 HA ALA A 73 7.014 3.655 -12.344 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.226 2.866 -13.120 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.742 4.377 -13.927 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.946 4.414 -12.617 1.00 0.00 H new ATOM 1149 N TRP A 74 9.125 4.086 -9.854 1.00 0.00 N ATOM 1150 CA TRP A 74 9.548 3.538 -8.571 1.00 0.00 C ATOM 1151 C TRP A 74 8.405 3.569 -7.561 1.00 0.00 C ATOM 1152 O TRP A 74 8.234 2.639 -6.773 1.00 0.00 O ATOM 1153 CB TRP A 74 10.746 4.322 -8.029 1.00 0.00 C ATOM 1154 CG TRP A 74 11.816 3.447 -7.452 1.00 0.00 C ATOM 1155 CD1 TRP A 74 12.282 2.273 -7.969 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.553 3.676 -6.246 1.00 0.00 C ATOM 1157 NE1 TRP A 74 13.264 1.757 -7.159 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.449 2.600 -6.094 1.00 0.00 C ATOM 1159 CE3 TRP A 74 12.544 4.686 -5.279 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 14.325 2.507 -5.016 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 13.414 4.592 -4.209 1.00 0.00 C ATOM 1162 CH2 TRP A 74 14.294 3.510 -4.085 1.00 0.00 C ATOM 0 H TRP A 74 9.527 4.996 -10.078 1.00 0.00 H new ATOM 0 HA TRP A 74 9.842 2.500 -8.726 1.00 0.00 H new ATOM 0 HB2 TRP A 74 11.172 4.922 -8.833 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.401 5.015 -7.262 1.00 0.00 H new ATOM 0 HD1 TRP A 74 11.930 1.816 -8.882 1.00 0.00 H new ATOM 0 HE1 TRP A 74 13.773 0.888 -7.323 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.869 5.525 -5.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 15.005 1.673 -4.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.415 5.366 -3.456 1.00 0.00 H new ATOM 0 HH2 TRP A 74 14.962 3.466 -3.237 1.00 0.00 H new ATOM 1173 N LEU A 75 7.625 4.645 -7.591 1.00 0.00 N ATOM 1174 CA LEU A 75 6.498 4.797 -6.678 1.00 0.00 C ATOM 1175 C LEU A 75 5.385 3.811 -7.016 1.00 0.00 C ATOM 1176 O LEU A 75 4.717 3.285 -6.126 1.00 0.00 O ATOM 1177 CB LEU A 75 5.961 6.229 -6.734 1.00 0.00 C ATOM 1178 CG LEU A 75 6.792 7.262 -5.972 1.00 0.00 C ATOM 1179 CD1 LEU A 75 6.794 8.594 -6.707 1.00 0.00 C ATOM 1180 CD2 LEU A 75 6.261 7.434 -4.557 1.00 0.00 C ATOM 0 H LEU A 75 7.753 5.424 -8.237 1.00 0.00 H new ATOM 0 HA LEU A 75 6.850 4.586 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.896 6.536 -7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.946 6.236 -6.336 1.00 0.00 H new ATOM 0 HG LEU A 75 7.819 6.901 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.390 9.316 -6.150 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.221 8.461 -7.701 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.772 8.961 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.864 8.173 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.225 7.772 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.312 6.481 -4.031 1.00 0.00 H new ATOM 1192 N ALA A 76 5.192 3.564 -8.307 1.00 0.00 N ATOM 1193 CA ALA A 76 4.160 2.641 -8.763 1.00 0.00 C ATOM 1194 C ALA A 76 4.466 1.214 -8.322 1.00 0.00 C ATOM 1195 O ALA A 76 3.625 0.546 -7.720 1.00 0.00 O ATOM 1196 CB ALA A 76 4.022 2.710 -10.276 1.00 0.00 C ATOM 0 H ALA A 76 5.737 3.990 -9.056 1.00 0.00 H new ATOM 0 HA ALA A 76 3.215 2.938 -8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.248 2.016 -10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.749 3.723 -10.571 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.971 2.441 -10.741 1.00 0.00 H new ATOM 1202 N GLU A 77 5.675 0.752 -8.627 1.00 0.00 N ATOM 1203 CA GLU A 77 6.092 -0.597 -8.262 1.00 0.00 C ATOM 1204 C GLU A 77 6.035 -0.794 -6.750 1.00 0.00 C ATOM 1205 O GLU A 77 5.552 -1.818 -6.266 1.00 0.00 O ATOM 1206 CB GLU A 77 7.509 -0.869 -8.770 1.00 0.00 C ATOM 1207 CG GLU A 77 7.730 -2.306 -9.216 1.00 0.00 C ATOM 1208 CD GLU A 77 9.030 -2.487 -9.974 1.00 0.00 C ATOM 1209 OE1 GLU A 77 10.080 -2.041 -9.467 1.00 0.00 O ATOM 1210 OE2 GLU A 77 8.997 -3.075 -11.076 1.00 0.00 O ATOM 0 H GLU A 77 6.382 1.292 -9.126 1.00 0.00 H new ATOM 0 HA GLU A 77 5.404 -1.302 -8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.721 -0.201 -9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.221 -0.629 -7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.729 -2.958 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.899 -2.619 -9.848 1.00 0.00 H new ATOM 1217 N HIS A 78 6.530 0.192 -6.011 1.00 0.00 N ATOM 1218 CA HIS A 78 6.535 0.126 -4.554 1.00 0.00 C ATOM 1219 C HIS A 78 5.111 0.097 -4.007 1.00 0.00 C ATOM 1220 O HIS A 78 4.801 -0.672 -3.097 1.00 0.00 O ATOM 1221 CB HIS A 78 7.293 1.319 -3.971 1.00 0.00 C ATOM 1222 CG HIS A 78 7.818 1.077 -2.590 1.00 0.00 C ATOM 1223 ND1 HIS A 78 8.769 1.878 -1.994 1.00 0.00 N ATOM 1224 CD2 HIS A 78 7.518 0.115 -1.684 1.00 0.00 C ATOM 1225 CE1 HIS A 78 9.033 1.419 -0.783 1.00 0.00 C ATOM 1226 NE2 HIS A 78 8.287 0.351 -0.571 1.00 0.00 N ATOM 0 H HIS A 78 6.933 1.046 -6.396 1.00 0.00 H new ATOM 0 HA HIS A 78 7.038 -0.794 -4.258 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.126 1.567 -4.629 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.632 2.186 -3.953 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.807 -0.688 -1.813 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.739 1.845 -0.086 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.282 -0.209 0.282 1.00 0.00 H new ATOM 1235 N LEU A 79 4.250 0.940 -4.568 1.00 0.00 N ATOM 1236 CA LEU A 79 2.859 1.010 -4.137 1.00 0.00 C ATOM 1237 C LEU A 79 2.158 -0.329 -4.343 1.00 0.00 C ATOM 1238 O LEU A 79 1.390 -0.777 -3.492 1.00 0.00 O ATOM 1239 CB LEU A 79 2.119 2.109 -4.902 1.00 0.00 C ATOM 1240 CG LEU A 79 2.176 3.496 -4.260 1.00 0.00 C ATOM 1241 CD1 LEU A 79 1.749 4.563 -5.256 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.300 3.542 -3.017 1.00 0.00 C ATOM 0 H LEU A 79 4.491 1.584 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 79 2.847 1.247 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.535 2.174 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.074 1.817 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 79 3.205 3.698 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.796 5.543 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.417 4.545 -6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.728 4.367 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.352 4.536 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.268 3.320 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.651 2.803 -2.297 1.00 0.00 H new ATOM 1254 N ALA A 80 2.429 -0.964 -5.479 1.00 0.00 N ATOM 1255 CA ALA A 80 1.826 -2.252 -5.797 1.00 0.00 C ATOM 1256 C ALA A 80 2.206 -3.306 -4.763 1.00 0.00 C ATOM 1257 O ALA A 80 1.350 -4.033 -4.259 1.00 0.00 O ATOM 1258 CB ALA A 80 2.244 -2.702 -7.189 1.00 0.00 C ATOM 0 H ALA A 80 3.062 -0.607 -6.194 1.00 0.00 H new ATOM 0 HA ALA A 80 0.743 -2.133 -5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.786 -3.665 -7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.917 -1.966 -7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.329 -2.798 -7.230 1.00 0.00 H new ATOM 1264 N ALA A 81 3.495 -3.381 -4.450 1.00 0.00 N ATOM 1265 CA ALA A 81 3.990 -4.345 -3.474 1.00 0.00 C ATOM 1266 C ALA A 81 3.506 -4.000 -2.070 1.00 0.00 C ATOM 1267 O ALA A 81 3.239 -4.887 -1.259 1.00 0.00 O ATOM 1268 CB ALA A 81 5.509 -4.401 -3.512 1.00 0.00 C ATOM 0 H ALA A 81 4.216 -2.786 -4.858 1.00 0.00 H new ATOM 0 HA ALA A 81 3.595 -5.327 -3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.865 -5.124 -2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.837 -4.702 -4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.915 -3.417 -3.278 1.00 0.00 H new ATOM 1274 N GLN A 82 3.394 -2.706 -1.790 1.00 0.00 N ATOM 1275 CA GLN A 82 2.942 -2.243 -0.483 1.00 0.00 C ATOM 1276 C GLN A 82 1.490 -2.642 -0.238 1.00 0.00 C ATOM 1277 O GLN A 82 1.175 -3.293 0.759 1.00 0.00 O ATOM 1278 CB GLN A 82 3.095 -0.723 -0.378 1.00 0.00 C ATOM 1279 CG GLN A 82 4.130 -0.286 0.646 1.00 0.00 C ATOM 1280 CD GLN A 82 3.511 0.421 1.837 1.00 0.00 C ATOM 1281 OE1 GLN A 82 3.835 0.123 2.987 1.00 0.00 O ATOM 1282 NE2 GLN A 82 2.615 1.363 1.567 1.00 0.00 N ATOM 0 H GLN A 82 3.610 -1.959 -2.450 1.00 0.00 H new ATOM 0 HA GLN A 82 3.561 -2.716 0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.372 -0.326 -1.355 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.131 -0.286 -0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.683 -1.159 0.993 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.850 0.378 0.168 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.376 1.577 0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.165 1.872 2.328 1.00 0.00 H new ATOM 1291 N LEU A 83 0.610 -2.249 -1.152 1.00 0.00 N ATOM 1292 CA LEU A 83 -0.808 -2.566 -1.035 1.00 0.00 C ATOM 1293 C LEU A 83 -1.028 -4.076 -1.011 1.00 0.00 C ATOM 1294 O LEU A 83 -1.905 -4.574 -0.305 1.00 0.00 O ATOM 1295 CB LEU A 83 -1.590 -1.940 -2.193 1.00 0.00 C ATOM 1296 CG LEU A 83 -2.892 -1.243 -1.792 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -3.501 -0.523 -2.985 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -3.877 -2.248 -1.213 1.00 0.00 C ATOM 0 H LEU A 83 0.854 -1.710 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.172 -2.150 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.948 -1.217 -2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.821 -2.720 -2.919 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.665 -0.503 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.426 -0.033 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.800 0.224 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.714 -1.243 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.797 -1.736 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.099 -3.011 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.441 -2.718 -0.332 1.00 0.00 H new ATOM 1310 N GLU A 84 -0.226 -4.798 -1.786 1.00 0.00 N ATOM 1311 CA GLU A 84 -0.333 -6.250 -1.853 1.00 0.00 C ATOM 1312 C GLU A 84 0.099 -6.889 -0.537 1.00 0.00 C ATOM 1313 O GLU A 84 -0.586 -7.763 -0.006 1.00 0.00 O ATOM 1314 CB GLU A 84 0.522 -6.792 -3.001 1.00 0.00 C ATOM 1315 CG GLU A 84 -0.240 -6.940 -4.308 1.00 0.00 C ATOM 1316 CD GLU A 84 -0.806 -8.334 -4.498 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -0.055 -9.312 -4.297 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -1.999 -8.447 -4.848 1.00 0.00 O ATOM 0 H GLU A 84 0.505 -4.401 -2.376 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.377 -6.505 -2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.370 -6.125 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.928 -7.762 -2.714 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.053 -6.215 -4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.424 -6.705 -5.140 1.00 0.00 H new ATOM 1325 N ALA A 85 1.239 -6.447 -0.016 1.00 0.00 N ATOM 1326 CA ALA A 85 1.762 -6.975 1.238 1.00 0.00 C ATOM 1327 C ALA A 85 0.778 -6.752 2.381 1.00 0.00 C ATOM 1328 O ALA A 85 0.555 -7.641 3.203 1.00 0.00 O ATOM 1329 CB ALA A 85 3.103 -6.333 1.561 1.00 0.00 C ATOM 0 H ALA A 85 1.818 -5.724 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 85 1.904 -8.049 1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.483 -6.736 2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.811 -6.548 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.977 -5.254 1.654 1.00 0.00 H new ATOM 1335 N ILE A 86 0.193 -5.560 2.428 1.00 0.00 N ATOM 1336 CA ILE A 86 -0.768 -5.220 3.471 1.00 0.00 C ATOM 1337 C ILE A 86 -2.033 -6.064 3.348 1.00 0.00 C ATOM 1338 O ILE A 86 -2.496 -6.651 4.326 1.00 0.00 O ATOM 1339 CB ILE A 86 -1.151 -3.728 3.419 1.00 0.00 C ATOM 1340 CG1 ILE A 86 0.105 -2.855 3.411 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -2.044 -3.367 4.596 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -0.052 -1.577 2.617 1.00 0.00 C ATOM 0 H ILE A 86 0.368 -4.813 1.756 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.286 -5.429 4.426 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.705 -3.544 2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.370 -2.605 4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.934 -3.430 2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.305 -2.310 4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.953 -3.967 4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.515 -3.564 5.528 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.877 -1.008 2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.287 -1.819 1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.860 -0.981 3.042 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.586 -6.120 2.141 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.798 -6.892 1.891 1.00 0.00 C ATOM 1356 C ALA A 87 -3.592 -8.363 2.233 1.00 0.00 C ATOM 1357 O ALA A 87 -4.515 -9.042 2.682 1.00 0.00 O ATOM 1358 CB ALA A 87 -4.229 -6.740 0.440 1.00 0.00 C ATOM 0 H ALA A 87 -2.215 -5.640 1.321 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.587 -6.504 2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.135 -7.321 0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.426 -5.689 0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.436 -7.101 -0.215 1.00 0.00 H new ATOM 1364 N ARG A 88 -2.374 -8.851 2.017 1.00 0.00 N ATOM 1365 CA ARG A 88 -2.046 -10.243 2.302 1.00 0.00 C ATOM 1366 C ARG A 88 -2.040 -10.504 3.805 1.00 0.00 C ATOM 1367 O ARG A 88 -2.596 -11.496 4.275 1.00 0.00 O ATOM 1368 CB ARG A 88 -0.684 -10.600 1.705 1.00 0.00 C ATOM 1369 CG ARG A 88 -0.743 -10.973 0.233 1.00 0.00 C ATOM 1370 CD ARG A 88 0.284 -12.039 -0.113 1.00 0.00 C ATOM 1371 NE ARG A 88 -0.172 -13.378 0.256 1.00 0.00 N ATOM 1372 CZ ARG A 88 0.639 -14.423 0.404 1.00 0.00 C ATOM 1373 NH1 ARG A 88 1.946 -14.290 0.215 1.00 0.00 N ATOM 1374 NH2 ARG A 88 0.141 -15.605 0.741 1.00 0.00 N ATOM 0 H ARG A 88 -1.598 -8.303 1.646 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.811 -10.871 1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.009 -9.753 1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.258 -11.432 2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.741 -11.335 -0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.567 -10.086 -0.376 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.492 -12.009 -1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.220 -11.821 0.400 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.170 -13.520 0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.334 -13.383 -0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.562 -15.095 0.330 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.863 -15.713 0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.762 -16.406 0.855 1.00 0.00 H new ATOM 1388 N GLU A 89 -1.405 -9.607 4.553 1.00 0.00 N ATOM 1389 CA GLU A 89 -1.325 -9.741 6.003 1.00 0.00 C ATOM 1390 C GLU A 89 -2.717 -9.743 6.628 1.00 0.00 C ATOM 1391 O GLU A 89 -3.024 -10.575 7.482 1.00 0.00 O ATOM 1392 CB GLU A 89 -0.485 -8.606 6.595 1.00 0.00 C ATOM 1393 CG GLU A 89 0.618 -9.087 7.523 1.00 0.00 C ATOM 1394 CD GLU A 89 1.705 -9.848 6.790 1.00 0.00 C ATOM 1395 OE1 GLU A 89 2.352 -9.253 5.903 1.00 0.00 O ATOM 1396 OE2 GLU A 89 1.909 -11.040 7.103 1.00 0.00 O ATOM 0 H GLU A 89 -0.939 -8.780 4.179 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.846 -10.693 6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.040 -8.032 5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.140 -7.928 7.143 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.059 -8.230 8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.187 -9.727 8.293 1.00 0.00 H new ATOM 1403 N ALA A 90 -3.555 -8.806 6.197 1.00 0.00 N ATOM 1404 CA ALA A 90 -4.914 -8.700 6.714 1.00 0.00 C ATOM 1405 C ALA A 90 -5.698 -9.984 6.468 1.00 0.00 C ATOM 1406 O ALA A 90 -6.360 -10.501 7.368 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.627 -7.514 6.082 1.00 0.00 C ATOM 0 H ALA A 90 -3.317 -8.109 5.491 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.855 -8.543 7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.641 -7.446 6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.085 -6.597 6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.667 -7.647 5.001 1.00 0.00 H new