USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 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= -0.439 K(o=-0.82,f=-3) USER MOD Set 1.2: A 56 ASN :FLIP amide:sc= -0.0858 F(o=-1.6,f=-0.82) USER MOD Set 1.3: A 78 HIS :FLIP no HD1:sc= -0.434 F(o=-2.9,f=-0.82) USER MOD Set 1.4: A 82 GLN :FLIP amide:sc= 0.142 F(o=-1.6,f=-0.82) USER MOD Set 2.1: A 66 GLN : amide:sc= -0.0208 K(o=-0.87,f=-1.7) USER MOD Set 2.2: A 68 GLN : amide:sc= -0.848 K(o=-0.87,f=-1.9!) USER MOD Set 3.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 45 THR OG1 : rot 174:sc= -0.955 USER MOD Set 3.3: A 47 GLN : amide:sc= -2.19 K(o=-3.1,f=-7.1!) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 16 THR OG1 : rot 85:sc= 0.967 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 21 CYS SG : rot 40:sc= -2.59! USER MOD Single : A 26 GLN : amide:sc=-0.00684 X(o=-0.0068,f=-0.22) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= 0.155 K(o=0.15,f=-0.59) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 170:sc= -0.915 USER MOD Single : A 62 HIS : no HD1:sc= -0.0827 X(o=-0.083,f=0) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.0473 F(o=-0.6,f=-0.047) USER MOD Single : A 71 GLN : amide:sc= -0.874 X(o=-0.87,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 191 N GLY A 12 -9.090 2.806 -5.828 1.00 0.00 N ATOM 192 CA GLY A 12 -10.310 2.193 -5.336 1.00 0.00 C ATOM 193 C GLY A 12 -10.072 1.316 -4.122 1.00 0.00 C ATOM 194 O GLY A 12 -10.812 1.388 -3.141 1.00 0.00 O ATOM 0 HA2 GLY A 12 -11.027 2.973 -5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.758 1.595 -6.130 1.00 0.00 H new ATOM 198 N GLN A 13 -9.036 0.486 -4.188 1.00 0.00 N ATOM 199 CA GLN A 13 -8.703 -0.410 -3.087 1.00 0.00 C ATOM 200 C GLN A 13 -8.158 0.369 -1.894 1.00 0.00 C ATOM 201 O GLN A 13 -8.534 0.114 -0.750 1.00 0.00 O ATOM 202 CB GLN A 13 -7.678 -1.451 -3.541 1.00 0.00 C ATOM 203 CG GLN A 13 -8.294 -2.635 -4.268 1.00 0.00 C ATOM 204 CD GLN A 13 -8.839 -3.682 -3.317 1.00 0.00 C ATOM 205 OE1 GLN A 13 -9.897 -3.500 -2.715 1.00 0.00 O ATOM 206 NE2 GLN A 13 -8.117 -4.788 -3.177 1.00 0.00 N ATOM 0 H GLN A 13 -8.413 0.415 -4.992 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.616 -0.918 -2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.951 -0.971 -4.196 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.131 -1.814 -2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.098 -2.282 -4.914 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.543 -3.091 -4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.246 -4.897 -3.696 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.434 -5.528 -2.551 1.00 0.00 H new ATOM 215 N LEU A 14 -7.268 1.317 -2.168 1.00 0.00 N ATOM 216 CA LEU A 14 -6.669 2.131 -1.116 1.00 0.00 C ATOM 217 C LEU A 14 -7.739 2.871 -0.318 1.00 0.00 C ATOM 218 O LEU A 14 -7.755 2.821 0.911 1.00 0.00 O ATOM 219 CB LEU A 14 -5.678 3.131 -1.717 1.00 0.00 C ATOM 220 CG LEU A 14 -4.214 2.896 -1.340 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.528 2.026 -2.381 1.00 0.00 C ATOM 222 CD2 LEU A 14 -3.484 4.223 -1.185 1.00 0.00 C ATOM 0 H LEU A 14 -6.945 1.541 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.136 1.465 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.767 3.100 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.962 4.135 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.184 2.374 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.488 1.870 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.036 1.064 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.568 2.520 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.444 4.037 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.523 4.772 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.961 4.811 -0.401 1.00 0.00 H new ATOM 234 N ALA A 15 -8.628 3.561 -1.025 1.00 0.00 N ATOM 235 CA ALA A 15 -9.698 4.314 -0.381 1.00 0.00 C ATOM 236 C ALA A 15 -10.589 3.406 0.460 1.00 0.00 C ATOM 237 O ALA A 15 -10.858 3.692 1.626 1.00 0.00 O ATOM 238 CB ALA A 15 -10.526 5.048 -1.425 1.00 0.00 C ATOM 0 H ALA A 15 -8.629 3.614 -2.044 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.240 5.043 0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.322 5.606 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.887 5.737 -1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.963 4.327 -2.115 1.00 0.00 H new ATOM 244 N THR A 16 -11.048 2.312 -0.141 1.00 0.00 N ATOM 245 CA THR A 16 -11.913 1.365 0.553 1.00 0.00 C ATOM 246 C THR A 16 -11.190 0.719 1.732 1.00 0.00 C ATOM 247 O THR A 16 -11.789 0.468 2.778 1.00 0.00 O ATOM 248 CB THR A 16 -12.400 0.285 -0.414 1.00 0.00 C ATOM 249 OG1 THR A 16 -13.054 0.867 -1.528 1.00 0.00 O ATOM 250 CG2 THR A 16 -13.360 -0.698 0.220 1.00 0.00 C ATOM 0 H THR A 16 -10.835 2.060 -1.106 1.00 0.00 H new ATOM 0 HA THR A 16 -12.771 1.916 0.938 1.00 0.00 H new ATOM 0 HB THR A 16 -11.503 -0.254 -0.720 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.390 1.115 -2.204 1.00 0.00 H new ATOM 0 HG21 THR A 16 -13.666 -1.437 -0.521 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.868 -1.201 1.053 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.238 -0.165 0.585 1.00 0.00 H new ATOM 258 N LEU A 17 -9.901 0.447 1.555 1.00 0.00 N ATOM 259 CA LEU A 17 -9.101 -0.175 2.604 1.00 0.00 C ATOM 260 C LEU A 17 -8.812 0.811 3.733 1.00 0.00 C ATOM 261 O LEU A 17 -8.814 0.441 4.906 1.00 0.00 O ATOM 262 CB LEU A 17 -7.787 -0.705 2.027 1.00 0.00 C ATOM 263 CG LEU A 17 -7.110 -1.798 2.856 1.00 0.00 C ATOM 264 CD1 LEU A 17 -7.837 -3.123 2.686 1.00 0.00 C ATOM 265 CD2 LEU A 17 -5.648 -1.936 2.461 1.00 0.00 C ATOM 0 H LEU A 17 -9.389 0.647 0.696 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.674 -1.007 3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.978 -1.094 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.093 0.129 1.917 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.157 -1.513 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.342 -3.889 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.870 -3.016 3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.821 -3.415 1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.181 -2.718 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.580 -2.199 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.134 -0.991 2.634 1.00 0.00 H new ATOM 277 N ARG A 18 -8.561 2.064 3.371 1.00 0.00 N ATOM 278 CA ARG A 18 -8.268 3.099 4.356 1.00 0.00 C ATOM 279 C ARG A 18 -9.524 3.495 5.129 1.00 0.00 C ATOM 280 O ARG A 18 -9.442 3.963 6.264 1.00 0.00 O ATOM 281 CB ARG A 18 -7.665 4.329 3.671 1.00 0.00 C ATOM 282 CG ARG A 18 -6.168 4.475 3.895 1.00 0.00 C ATOM 283 CD ARG A 18 -5.423 4.710 2.589 1.00 0.00 C ATOM 284 NE ARG A 18 -4.213 3.896 2.496 1.00 0.00 N ATOM 285 CZ ARG A 18 -4.209 2.610 2.153 1.00 0.00 C ATOM 286 NH1 ARG A 18 -5.346 1.987 1.869 1.00 0.00 N ATOM 287 NH2 ARG A 18 -3.064 1.944 2.096 1.00 0.00 N ATOM 0 H ARG A 18 -8.554 2.388 2.404 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.545 2.694 5.064 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.860 4.271 2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.168 5.223 4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.981 5.306 4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.783 3.576 4.377 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.080 4.480 1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.158 5.764 2.507 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.319 4.339 2.706 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.230 2.494 1.913 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.336 1.001 1.607 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.187 2.417 2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.060 0.958 1.833 1.00 0.00 H new ATOM 301 N GLN A 19 -10.683 3.309 4.506 1.00 0.00 N ATOM 302 CA GLN A 19 -11.952 3.652 5.138 1.00 0.00 C ATOM 303 C GLN A 19 -12.356 2.599 6.168 1.00 0.00 C ATOM 304 O GLN A 19 -12.741 2.930 7.289 1.00 0.00 O ATOM 305 CB GLN A 19 -13.048 3.797 4.079 1.00 0.00 C ATOM 306 CG GLN A 19 -13.654 5.191 4.018 1.00 0.00 C ATOM 307 CD GLN A 19 -13.349 5.904 2.715 1.00 0.00 C ATOM 308 OE1 GLN A 19 -13.728 5.443 1.639 1.00 0.00 O ATOM 309 NE2 GLN A 19 -12.661 7.036 2.807 1.00 0.00 N ATOM 0 H GLN A 19 -10.770 2.923 3.566 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.825 4.603 5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.634 3.547 3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.838 3.075 4.284 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.734 5.119 4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.275 5.785 4.850 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.367 7.381 3.721 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.427 7.560 1.964 1.00 0.00 H new ATOM 318 N ARG A 20 -12.269 1.331 5.778 1.00 0.00 N ATOM 319 CA ARG A 20 -12.631 0.232 6.667 1.00 0.00 C ATOM 320 C ARG A 20 -11.493 -0.098 7.629 1.00 0.00 C ATOM 321 O ARG A 20 -11.726 -0.418 8.794 1.00 0.00 O ATOM 322 CB ARG A 20 -13.000 -1.009 5.852 1.00 0.00 C ATOM 323 CG ARG A 20 -13.951 -1.949 6.574 1.00 0.00 C ATOM 324 CD ARG A 20 -13.196 -3.018 7.347 1.00 0.00 C ATOM 325 NE ARG A 20 -12.884 -4.178 6.515 1.00 0.00 N ATOM 326 CZ ARG A 20 -11.953 -5.079 6.820 1.00 0.00 C ATOM 327 NH1 ARG A 20 -11.242 -4.959 7.934 1.00 0.00 N ATOM 328 NH2 ARG A 20 -11.732 -6.104 6.008 1.00 0.00 N ATOM 0 H ARG A 20 -11.951 1.039 4.854 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.494 0.547 7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.456 -0.695 4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.089 -1.551 5.598 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.579 -1.378 7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.616 -2.422 5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.272 -2.596 7.741 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.792 -3.335 8.203 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.410 -4.305 5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.407 -4.173 8.562 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.530 -5.653 8.162 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.275 -6.202 5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.019 -6.795 6.241 1.00 0.00 H new ATOM 342 N CYS A 21 -10.262 -0.021 7.133 1.00 0.00 N ATOM 343 CA CYS A 21 -9.090 -0.316 7.951 1.00 0.00 C ATOM 344 C CYS A 21 -8.543 0.944 8.621 1.00 0.00 C ATOM 345 O CYS A 21 -7.426 0.944 9.137 1.00 0.00 O ATOM 346 CB CYS A 21 -7.999 -0.965 7.097 1.00 0.00 C ATOM 347 SG CYS A 21 -7.086 -2.280 7.940 1.00 0.00 S ATOM 0 H CYS A 21 -10.050 0.243 6.171 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.398 -1.009 8.734 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.454 -1.374 6.195 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.296 -0.195 6.779 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.909 -2.993 8.651 1.00 0.00 H new ATOM 353 N ALA A 22 -9.331 2.016 8.610 1.00 0.00 N ATOM 354 CA ALA A 22 -8.913 3.273 9.219 1.00 0.00 C ATOM 355 C ALA A 22 -8.706 3.113 10.724 1.00 0.00 C ATOM 356 O ALA A 22 -7.600 3.303 11.230 1.00 0.00 O ATOM 357 CB ALA A 22 -9.934 4.365 8.932 1.00 0.00 C ATOM 0 H ALA A 22 -10.259 2.039 8.187 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.959 3.563 8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.609 5.298 9.393 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.024 4.505 7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.901 4.076 9.343 1.00 0.00 H new ATOM 363 N PRO A 23 -9.773 2.759 11.463 1.00 0.00 N ATOM 364 CA PRO A 23 -9.701 2.576 12.915 1.00 0.00 C ATOM 365 C PRO A 23 -9.059 1.247 13.302 1.00 0.00 C ATOM 366 O PRO A 23 -9.701 0.387 13.905 1.00 0.00 O ATOM 367 CB PRO A 23 -11.169 2.604 13.337 1.00 0.00 C ATOM 368 CG PRO A 23 -11.905 2.067 12.159 1.00 0.00 C ATOM 369 CD PRO A 23 -11.134 2.512 10.943 1.00 0.00 C ATOM 0 HA PRO A 23 -9.086 3.336 13.396 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.339 1.993 14.224 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.493 3.616 13.580 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.969 0.980 12.203 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.927 2.446 12.132 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.133 1.747 10.167 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.564 3.412 10.503 1.00 0.00 H new ATOM 377 N VAL A 24 -7.787 1.084 12.951 1.00 0.00 N ATOM 378 CA VAL A 24 -7.060 -0.142 13.262 1.00 0.00 C ATOM 379 C VAL A 24 -5.827 0.134 14.123 1.00 0.00 C ATOM 380 O VAL A 24 -5.153 -0.796 14.565 1.00 0.00 O ATOM 381 CB VAL A 24 -6.618 -0.872 11.981 1.00 0.00 C ATOM 382 CG1 VAL A 24 -7.827 -1.370 11.204 1.00 0.00 C ATOM 383 CG2 VAL A 24 -5.757 0.037 11.117 1.00 0.00 C ATOM 0 H VAL A 24 -7.239 1.785 12.452 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.749 -0.775 13.821 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.019 -1.736 12.267 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.494 -1.883 10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.399 -2.060 11.824 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.456 -0.524 10.928 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.454 -0.497 10.216 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.328 0.923 10.839 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.871 0.337 11.676 1.00 0.00 H new ATOM 393 N SER A 25 -5.534 1.410 14.360 1.00 0.00 N ATOM 394 CA SER A 25 -4.381 1.791 15.169 1.00 0.00 C ATOM 395 C SER A 25 -4.463 1.180 16.565 1.00 0.00 C ATOM 396 O SER A 25 -3.443 0.982 17.226 1.00 0.00 O ATOM 397 CB SER A 25 -4.285 3.314 15.272 1.00 0.00 C ATOM 398 OG SER A 25 -2.961 3.723 15.571 1.00 0.00 O ATOM 0 H SER A 25 -6.078 2.196 14.004 1.00 0.00 H new ATOM 0 HA SER A 25 -3.486 1.408 14.679 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.605 3.766 14.333 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.963 3.673 16.046 1.00 0.00 H new ATOM 0 HG SER A 25 -2.926 4.701 15.630 1.00 0.00 H new ATOM 404 N GLN A 26 -5.681 0.887 17.010 1.00 0.00 N ATOM 405 CA GLN A 26 -5.892 0.301 18.329 1.00 0.00 C ATOM 406 C GLN A 26 -5.235 -1.072 18.433 1.00 0.00 C ATOM 407 O GLN A 26 -4.477 -1.338 19.366 1.00 0.00 O ATOM 408 CB GLN A 26 -7.389 0.185 18.623 1.00 0.00 C ATOM 409 CG GLN A 26 -7.714 0.112 20.106 1.00 0.00 C ATOM 410 CD GLN A 26 -9.141 0.524 20.410 1.00 0.00 C ATOM 411 OE1 GLN A 26 -9.601 1.579 19.975 1.00 0.00 O ATOM 412 NE2 GLN A 26 -9.849 -0.310 21.163 1.00 0.00 N ATOM 0 H GLN A 26 -6.536 1.046 16.477 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.431 0.958 19.066 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.904 1.042 18.189 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.780 -0.705 18.130 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.550 -0.906 20.461 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.028 0.756 20.657 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.427 -1.174 21.502 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.815 -0.086 21.402 1.00 0.00 H new ATOM 421 N PHE A 27 -5.533 -1.941 17.472 1.00 0.00 N ATOM 422 CA PHE A 27 -4.972 -3.288 17.460 1.00 0.00 C ATOM 423 C PHE A 27 -4.080 -3.502 16.241 1.00 0.00 C ATOM 424 O PHE A 27 -3.905 -4.630 15.780 1.00 0.00 O ATOM 425 CB PHE A 27 -6.094 -4.328 17.472 1.00 0.00 C ATOM 426 CG PHE A 27 -7.013 -4.205 18.653 1.00 0.00 C ATOM 427 CD1 PHE A 27 -8.044 -3.279 18.652 1.00 0.00 C ATOM 428 CD2 PHE A 27 -6.846 -5.015 19.765 1.00 0.00 C ATOM 429 CE1 PHE A 27 -8.891 -3.164 19.738 1.00 0.00 C ATOM 430 CE2 PHE A 27 -7.690 -4.904 20.854 1.00 0.00 C ATOM 431 CZ PHE A 27 -8.714 -3.977 20.840 1.00 0.00 C ATOM 0 H PHE A 27 -6.159 -1.737 16.693 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.362 -3.406 18.356 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.677 -4.232 16.556 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.654 -5.325 17.466 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.187 -2.640 17.793 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.047 -5.741 19.781 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.691 -2.439 19.725 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.549 -5.541 21.715 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.375 -3.888 21.689 1.00 0.00 H new ATOM 441 N ALA A 28 -3.516 -2.416 15.722 1.00 0.00 N ATOM 442 CA ALA A 28 -2.643 -2.493 14.558 1.00 0.00 C ATOM 443 C ALA A 28 -1.288 -3.086 14.928 1.00 0.00 C ATOM 444 O ALA A 28 -0.590 -2.569 15.800 1.00 0.00 O ATOM 445 CB ALA A 28 -2.467 -1.116 13.937 1.00 0.00 C ATOM 0 H ALA A 28 -3.648 -1.474 16.089 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.111 -3.151 13.826 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.812 -1.189 13.069 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.438 -0.730 13.628 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.024 -0.441 14.669 1.00 0.00 H new ATOM 451 N THR A 29 -0.922 -4.175 14.260 1.00 0.00 N ATOM 452 CA THR A 29 0.350 -4.839 14.519 1.00 0.00 C ATOM 453 C THR A 29 0.883 -5.506 13.255 1.00 0.00 C ATOM 454 O THR A 29 0.155 -6.216 12.561 1.00 0.00 O ATOM 455 CB THR A 29 0.189 -5.877 15.632 1.00 0.00 C ATOM 456 OG1 THR A 29 -1.149 -6.337 15.700 1.00 0.00 O ATOM 457 CG2 THR A 29 0.563 -5.349 17.000 1.00 0.00 C ATOM 0 H THR A 29 -1.488 -4.616 13.535 1.00 0.00 H new ATOM 0 HA THR A 29 1.068 -4.084 14.838 1.00 0.00 H new ATOM 0 HB THR A 29 0.871 -6.686 15.373 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.231 -7.001 16.416 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.426 -6.135 17.743 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.606 -5.032 16.995 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.073 -4.500 17.249 1.00 0.00 H new ATOM 465 N LEU A 30 2.158 -5.272 12.962 1.00 0.00 N ATOM 466 CA LEU A 30 2.790 -5.849 11.781 1.00 0.00 C ATOM 467 C LEU A 30 3.788 -6.934 12.172 1.00 0.00 C ATOM 468 O LEU A 30 4.480 -6.819 13.184 1.00 0.00 O ATOM 469 CB LEU A 30 3.495 -4.759 10.971 1.00 0.00 C ATOM 470 CG LEU A 30 2.624 -4.065 9.923 1.00 0.00 C ATOM 471 CD1 LEU A 30 3.394 -2.939 9.251 1.00 0.00 C ATOM 472 CD2 LEU A 30 2.135 -5.069 8.890 1.00 0.00 C ATOM 0 H LEU A 30 2.774 -4.687 13.526 1.00 0.00 H new ATOM 0 HA LEU A 30 2.011 -6.302 11.168 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.877 -4.006 11.660 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.357 -5.200 10.470 1.00 0.00 H new ATOM 0 HG LEU A 30 1.756 -3.636 10.424 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.759 -2.456 8.508 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.696 -2.207 10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.280 -3.345 8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.517 -4.559 8.151 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.991 -5.526 8.393 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.547 -5.842 9.384 1.00 0.00 H new ATOM 484 N SER A 31 3.857 -7.987 11.364 1.00 0.00 N ATOM 485 CA SER A 31 4.772 -9.092 11.625 1.00 0.00 C ATOM 486 C SER A 31 6.220 -8.615 11.606 1.00 0.00 C ATOM 487 O SER A 31 6.539 -7.594 10.996 1.00 0.00 O ATOM 488 CB SER A 31 4.575 -10.200 10.588 1.00 0.00 C ATOM 489 OG SER A 31 5.065 -9.805 9.319 1.00 0.00 O ATOM 0 H SER A 31 3.290 -8.098 10.523 1.00 0.00 H new ATOM 0 HA SER A 31 4.551 -9.487 12.616 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.090 -11.104 10.915 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.516 -10.446 10.512 1.00 0.00 H new ATOM 0 HG SER A 31 4.929 -10.531 8.675 1.00 0.00 H new ATOM 495 N ALA A 32 7.093 -9.358 12.277 1.00 0.00 N ATOM 496 CA ALA A 32 8.509 -9.010 12.337 1.00 0.00 C ATOM 497 C ALA A 32 9.268 -9.523 11.114 1.00 0.00 C ATOM 498 O ALA A 32 10.483 -9.353 11.015 1.00 0.00 O ATOM 499 CB ALA A 32 9.130 -9.559 13.612 1.00 0.00 C ATOM 0 H ALA A 32 6.846 -10.206 12.787 1.00 0.00 H new ATOM 0 HA ALA A 32 8.585 -7.923 12.341 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.187 -9.293 13.646 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.621 -9.134 14.477 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.028 -10.644 13.628 1.00 0.00 H new ATOM 505 N ARG A 33 8.551 -10.151 10.185 1.00 0.00 N ATOM 506 CA ARG A 33 9.169 -10.685 8.976 1.00 0.00 C ATOM 507 C ARG A 33 9.039 -9.707 7.811 1.00 0.00 C ATOM 508 O ARG A 33 9.127 -10.099 6.648 1.00 0.00 O ATOM 509 CB ARG A 33 8.531 -12.025 8.604 1.00 0.00 C ATOM 510 CG ARG A 33 9.515 -13.025 8.018 1.00 0.00 C ATOM 511 CD ARG A 33 9.461 -13.036 6.499 1.00 0.00 C ATOM 512 NE ARG A 33 9.853 -14.331 5.947 1.00 0.00 N ATOM 513 CZ ARG A 33 11.097 -14.804 5.978 1.00 0.00 C ATOM 514 NH1 ARG A 33 12.071 -14.093 6.532 1.00 0.00 N ATOM 515 NH2 ARG A 33 11.368 -15.991 5.453 1.00 0.00 N ATOM 0 H ARG A 33 7.544 -10.302 10.247 1.00 0.00 H new ATOM 0 HA ARG A 33 10.229 -10.835 9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.071 -12.458 9.492 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.731 -11.850 7.884 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.525 -12.778 8.345 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.292 -14.022 8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.451 -12.793 6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.119 -12.261 6.107 1.00 0.00 H new ATOM 0 HE ARG A 33 9.131 -14.906 5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.868 -13.179 6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.022 -14.461 6.553 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.623 -16.542 5.025 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.321 -16.354 5.477 1.00 0.00 H new ATOM 529 N PHE A 34 8.827 -8.433 8.129 1.00 0.00 N ATOM 530 CA PHE A 34 8.684 -7.406 7.109 1.00 0.00 C ATOM 531 C PHE A 34 9.967 -7.257 6.297 1.00 0.00 C ATOM 532 O PHE A 34 11.057 -7.573 6.775 1.00 0.00 O ATOM 533 CB PHE A 34 8.320 -6.072 7.759 1.00 0.00 C ATOM 534 CG PHE A 34 9.186 -5.715 8.934 1.00 0.00 C ATOM 535 CD1 PHE A 34 10.545 -5.495 8.771 1.00 0.00 C ATOM 536 CD2 PHE A 34 8.640 -5.599 10.202 1.00 0.00 C ATOM 537 CE1 PHE A 34 11.342 -5.166 9.852 1.00 0.00 C ATOM 538 CE2 PHE A 34 9.432 -5.271 11.286 1.00 0.00 C ATOM 539 CZ PHE A 34 10.785 -5.054 11.111 1.00 0.00 C ATOM 0 H PHE A 34 8.751 -8.090 9.087 1.00 0.00 H new ATOM 0 HA PHE A 34 7.885 -7.708 6.432 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.394 -5.282 7.012 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.280 -6.108 8.083 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.986 -5.582 7.789 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.583 -5.767 10.345 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.399 -4.997 9.712 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.993 -5.184 12.269 1.00 0.00 H new ATOM 0 HZ PHE A 34 11.406 -4.797 11.957 1.00 0.00 H new ATOM 549 N ASP A 35 9.829 -6.771 5.068 1.00 0.00 N ATOM 550 CA ASP A 35 10.976 -6.575 4.188 1.00 0.00 C ATOM 551 C ASP A 35 11.082 -5.115 3.759 1.00 0.00 C ATOM 552 O ASP A 35 10.234 -4.613 3.023 1.00 0.00 O ATOM 553 CB ASP A 35 10.862 -7.475 2.957 1.00 0.00 C ATOM 554 CG ASP A 35 12.209 -7.997 2.497 1.00 0.00 C ATOM 555 OD1 ASP A 35 12.921 -7.258 1.785 1.00 0.00 O ATOM 556 OD2 ASP A 35 12.553 -9.146 2.848 1.00 0.00 O ATOM 0 H ASP A 35 8.934 -6.505 4.658 1.00 0.00 H new ATOM 0 HA ASP A 35 11.878 -6.842 4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.208 -8.316 3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.394 -6.918 2.145 1.00 0.00 H new ATOM 561 N ARG A 36 12.127 -4.439 4.228 1.00 0.00 N ATOM 562 CA ARG A 36 12.344 -3.033 3.897 1.00 0.00 C ATOM 563 C ARG A 36 12.307 -2.805 2.387 1.00 0.00 C ATOM 564 O ARG A 36 12.005 -1.704 1.925 1.00 0.00 O ATOM 565 CB ARG A 36 13.685 -2.558 4.461 1.00 0.00 C ATOM 566 CG ARG A 36 13.582 -1.973 5.861 1.00 0.00 C ATOM 567 CD ARG A 36 14.052 -2.961 6.917 1.00 0.00 C ATOM 568 NE ARG A 36 15.363 -2.605 7.455 1.00 0.00 N ATOM 569 CZ ARG A 36 16.137 -3.446 8.137 1.00 0.00 C ATOM 570 NH1 ARG A 36 15.737 -4.691 8.366 1.00 0.00 N ATOM 571 NH2 ARG A 36 17.316 -3.042 8.591 1.00 0.00 N ATOM 0 H ARG A 36 12.838 -4.842 4.839 1.00 0.00 H new ATOM 0 HA ARG A 36 11.537 -2.456 4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.381 -3.397 4.477 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.106 -1.807 3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.180 -1.064 5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.549 -1.689 6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.325 -2.998 7.728 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.097 -3.960 6.484 1.00 0.00 H new ATOM 0 HE ARG A 36 15.705 -1.657 7.299 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.832 -5.008 8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.335 -5.331 8.889 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.629 -2.087 8.417 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.909 -3.686 9.114 1.00 0.00 H new ATOM 585 N HIS A 37 12.617 -3.848 1.624 1.00 0.00 N ATOM 586 CA HIS A 37 12.621 -3.755 0.169 1.00 0.00 C ATOM 587 C HIS A 37 11.203 -3.608 -0.378 1.00 0.00 C ATOM 588 O HIS A 37 11.001 -3.067 -1.465 1.00 0.00 O ATOM 589 CB HIS A 37 13.287 -4.991 -0.439 1.00 0.00 C ATOM 590 CG HIS A 37 14.770 -5.030 -0.237 1.00 0.00 C ATOM 591 ND1 HIS A 37 15.393 -5.930 0.602 1.00 0.00 N ATOM 592 CD2 HIS A 37 15.758 -4.272 -0.771 1.00 0.00 C ATOM 593 CE1 HIS A 37 16.698 -5.724 0.575 1.00 0.00 C ATOM 594 NE2 HIS A 37 16.945 -4.724 -0.250 1.00 0.00 N ATOM 0 H HIS A 37 12.869 -4.767 1.989 1.00 0.00 H new ATOM 0 HA HIS A 37 13.189 -2.867 -0.109 1.00 0.00 H new ATOM 0 HB2 HIS A 37 12.845 -5.885 0.000 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.073 -5.021 -1.507 1.00 0.00 H new ATOM 0 HD1 HIS A 37 14.920 -6.643 1.157 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.635 -3.463 -1.475 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.437 -6.280 1.133 1.00 0.00 H new ATOM 603 N LEU A 38 10.224 -4.096 0.378 1.00 0.00 N ATOM 604 CA LEU A 38 8.827 -4.019 -0.038 1.00 0.00 C ATOM 605 C LEU A 38 8.051 -3.015 0.811 1.00 0.00 C ATOM 606 O LEU A 38 7.035 -2.475 0.374 1.00 0.00 O ATOM 607 CB LEU A 38 8.170 -5.397 0.057 1.00 0.00 C ATOM 608 CG LEU A 38 8.829 -6.488 -0.790 1.00 0.00 C ATOM 609 CD1 LEU A 38 8.793 -7.824 -0.064 1.00 0.00 C ATOM 610 CD2 LEU A 38 8.144 -6.596 -2.144 1.00 0.00 C ATOM 0 H LEU A 38 10.372 -4.548 1.280 1.00 0.00 H new ATOM 0 HA LEU A 38 8.805 -3.680 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.176 -5.714 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.126 -5.306 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 38 9.872 -6.215 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.266 -8.587 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.329 -7.739 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.758 -8.105 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.625 -7.376 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.093 -6.845 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.223 -5.644 -2.669 1.00 0.00 H new ATOM 622 N PHE A 39 8.532 -2.770 2.026 1.00 0.00 N ATOM 623 CA PHE A 39 7.879 -1.833 2.933 1.00 0.00 C ATOM 624 C PHE A 39 8.765 -0.621 3.197 1.00 0.00 C ATOM 625 O PHE A 39 9.962 -0.639 2.910 1.00 0.00 O ATOM 626 CB PHE A 39 7.535 -2.524 4.253 1.00 0.00 C ATOM 627 CG PHE A 39 6.455 -3.561 4.126 1.00 0.00 C ATOM 628 CD1 PHE A 39 6.764 -4.860 3.756 1.00 0.00 C ATOM 629 CD2 PHE A 39 5.132 -3.236 4.376 1.00 0.00 C ATOM 630 CE1 PHE A 39 5.773 -5.816 3.638 1.00 0.00 C ATOM 631 CE2 PHE A 39 4.136 -4.187 4.260 1.00 0.00 C ATOM 632 CZ PHE A 39 4.458 -5.479 3.891 1.00 0.00 C ATOM 0 H PHE A 39 9.372 -3.208 2.405 1.00 0.00 H new ATOM 0 HA PHE A 39 6.959 -1.491 2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.434 -2.994 4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.221 -1.771 4.976 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.791 -5.129 3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.876 -2.227 4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.027 -6.825 3.348 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.108 -3.921 4.457 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.682 -6.225 3.801 1.00 0.00 H new ATOM 642 N GLN A 40 8.169 0.432 3.747 1.00 0.00 N ATOM 643 CA GLN A 40 8.903 1.654 4.052 1.00 0.00 C ATOM 644 C GLN A 40 9.460 1.613 5.472 1.00 0.00 C ATOM 645 O GLN A 40 9.188 0.682 6.230 1.00 0.00 O ATOM 646 CB GLN A 40 7.995 2.874 3.881 1.00 0.00 C ATOM 647 CG GLN A 40 8.666 4.036 3.168 1.00 0.00 C ATOM 648 CD GLN A 40 8.198 4.189 1.734 1.00 0.00 C ATOM 649 OE1 GLN A 40 8.203 3.231 0.961 1.00 0.00 O ATOM 650 NE2 GLN A 40 7.790 5.400 1.371 1.00 0.00 N ATOM 0 H GLN A 40 7.179 0.463 3.991 1.00 0.00 H new ATOM 0 HA GLN A 40 9.738 1.732 3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.107 2.580 3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.658 3.207 4.863 1.00 0.00 H new ATOM 0 HG2 GLN A 40 8.463 4.958 3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.746 3.890 3.180 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.803 6.166 2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.464 5.564 0.419 1.00 0.00 H new ATOM 659 N THR A 41 10.241 2.629 5.825 1.00 0.00 N ATOM 660 CA THR A 41 10.836 2.709 7.154 1.00 0.00 C ATOM 661 C THR A 41 9.767 2.948 8.216 1.00 0.00 C ATOM 662 O THR A 41 9.907 2.515 9.360 1.00 0.00 O ATOM 663 CB THR A 41 11.877 3.829 7.202 1.00 0.00 C ATOM 664 OG1 THR A 41 12.385 3.986 8.515 1.00 0.00 O ATOM 665 CG2 THR A 41 11.335 5.169 6.756 1.00 0.00 C ATOM 0 H THR A 41 10.476 3.408 5.210 1.00 0.00 H new ATOM 0 HA THR A 41 11.325 1.757 7.364 1.00 0.00 H new ATOM 0 HB THR A 41 12.661 3.524 6.509 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.050 4.706 8.525 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.124 5.918 6.814 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.981 5.094 5.728 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.509 5.461 7.404 1.00 0.00 H new ATOM 673 N ARG A 42 8.700 3.640 7.830 1.00 0.00 N ATOM 674 CA ARG A 42 7.607 3.937 8.750 1.00 0.00 C ATOM 675 C ARG A 42 6.732 2.707 8.983 1.00 0.00 C ATOM 676 O ARG A 42 6.014 2.627 9.979 1.00 0.00 O ATOM 677 CB ARG A 42 6.757 5.087 8.207 1.00 0.00 C ATOM 678 CG ARG A 42 6.341 6.091 9.270 1.00 0.00 C ATOM 679 CD ARG A 42 7.102 7.400 9.132 1.00 0.00 C ATOM 680 NE ARG A 42 8.232 7.477 10.055 1.00 0.00 N ATOM 681 CZ ARG A 42 8.118 7.792 11.343 1.00 0.00 C ATOM 682 NH1 ARG A 42 6.927 8.058 11.866 1.00 0.00 N ATOM 683 NH2 ARG A 42 9.197 7.841 12.112 1.00 0.00 N ATOM 0 H ARG A 42 8.569 4.006 6.887 1.00 0.00 H new ATOM 0 HA ARG A 42 8.042 4.232 9.705 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.317 5.606 7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.863 4.677 7.737 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.271 6.282 9.192 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.518 5.669 10.259 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.462 7.503 8.109 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.425 8.234 9.317 1.00 0.00 H new ATOM 0 HE ARG A 42 9.164 7.277 9.691 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.093 8.022 11.280 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.846 8.299 12.854 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.115 7.637 11.716 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.109 8.082 13.099 1.00 0.00 H new ATOM 697 N ALA A 43 6.795 1.751 8.058 1.00 0.00 N ATOM 698 CA ALA A 43 6.005 0.529 8.166 1.00 0.00 C ATOM 699 C ALA A 43 6.290 -0.200 9.476 1.00 0.00 C ATOM 700 O ALA A 43 7.170 -1.058 9.541 1.00 0.00 O ATOM 701 CB ALA A 43 6.284 -0.383 6.981 1.00 0.00 C ATOM 0 H ALA A 43 7.384 1.800 7.227 1.00 0.00 H new ATOM 0 HA ALA A 43 4.951 0.806 8.160 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.689 -1.291 7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.021 0.131 6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.342 -0.643 6.963 1.00 0.00 H new ATOM 707 N THR A 44 5.539 0.148 10.516 1.00 0.00 N ATOM 708 CA THR A 44 5.710 -0.473 11.825 1.00 0.00 C ATOM 709 C THR A 44 4.460 -1.249 12.229 1.00 0.00 C ATOM 710 O THR A 44 4.546 -2.276 12.903 1.00 0.00 O ATOM 711 CB THR A 44 6.028 0.588 12.879 1.00 0.00 C ATOM 712 OG1 THR A 44 6.162 -0.002 14.160 1.00 0.00 O ATOM 713 CG2 THR A 44 4.973 1.669 12.980 1.00 0.00 C ATOM 0 H THR A 44 4.806 0.857 10.478 1.00 0.00 H new ATOM 0 HA THR A 44 6.544 -1.172 11.760 1.00 0.00 H new ATOM 0 HB THR A 44 6.963 1.045 12.554 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.367 0.693 14.820 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.262 2.389 13.746 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.881 2.178 12.021 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.016 1.220 13.246 1.00 0.00 H new ATOM 721 N THR A 45 3.299 -0.752 11.814 1.00 0.00 N ATOM 722 CA THR A 45 2.032 -1.399 12.134 1.00 0.00 C ATOM 723 C THR A 45 1.057 -1.293 10.966 1.00 0.00 C ATOM 724 O THR A 45 1.381 -0.724 9.923 1.00 0.00 O ATOM 725 CB THR A 45 1.417 -0.773 13.386 1.00 0.00 C ATOM 726 OG1 THR A 45 1.283 0.629 13.231 1.00 0.00 O ATOM 727 CG2 THR A 45 2.229 -1.021 14.639 1.00 0.00 C ATOM 0 H THR A 45 3.210 0.097 11.255 1.00 0.00 H new ATOM 0 HA THR A 45 2.229 -2.454 12.324 1.00 0.00 H new ATOM 0 HB THR A 45 0.445 -1.252 13.502 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.800 0.998 14.000 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.737 -0.550 15.490 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.309 -2.094 14.814 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.226 -0.598 14.516 1.00 0.00 H new ATOM 735 N LEU A 46 -0.139 -1.844 11.147 1.00 0.00 N ATOM 736 CA LEU A 46 -1.163 -1.812 10.108 1.00 0.00 C ATOM 737 C LEU A 46 -1.496 -0.377 9.713 1.00 0.00 C ATOM 738 O LEU A 46 -1.524 -0.038 8.529 1.00 0.00 O ATOM 739 CB LEU A 46 -2.427 -2.528 10.587 1.00 0.00 C ATOM 740 CG LEU A 46 -2.360 -4.055 10.551 1.00 0.00 C ATOM 741 CD1 LEU A 46 -3.500 -4.659 11.357 1.00 0.00 C ATOM 742 CD2 LEU A 46 -2.396 -4.555 9.115 1.00 0.00 C ATOM 0 H LEU A 46 -0.423 -2.318 12.004 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.771 -2.328 9.232 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.639 -2.213 11.609 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.266 -2.202 9.972 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.419 -4.370 11.001 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.436 -5.746 11.320 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.429 -4.327 12.393 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.453 -4.337 10.937 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.347 -5.644 9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.321 -4.230 8.640 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.545 -4.150 8.567 1.00 0.00 H new ATOM 754 N GLN A 47 -1.748 0.464 10.711 1.00 0.00 N ATOM 755 CA GLN A 47 -2.080 1.863 10.467 1.00 0.00 C ATOM 756 C GLN A 47 -0.956 2.566 9.712 1.00 0.00 C ATOM 757 O GLN A 47 -1.206 3.413 8.856 1.00 0.00 O ATOM 758 CB GLN A 47 -2.351 2.584 11.789 1.00 0.00 C ATOM 759 CG GLN A 47 -1.205 2.484 12.783 1.00 0.00 C ATOM 760 CD GLN A 47 -0.255 3.662 12.697 1.00 0.00 C ATOM 761 OE1 GLN A 47 0.879 3.527 12.238 1.00 0.00 O ATOM 762 NE2 GLN A 47 -0.715 4.827 13.140 1.00 0.00 N ATOM 0 H GLN A 47 -1.729 0.201 11.696 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.980 1.894 9.853 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.553 3.635 11.585 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.251 2.168 12.242 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.609 2.421 13.793 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.652 1.562 12.603 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.662 4.893 13.513 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.121 5.656 13.108 1.00 0.00 H new ATOM 771 N ALA A 48 0.282 2.206 10.035 1.00 0.00 N ATOM 772 CA ALA A 48 1.443 2.801 9.385 1.00 0.00 C ATOM 773 C ALA A 48 1.498 2.422 7.910 1.00 0.00 C ATOM 774 O ALA A 48 1.897 3.225 7.066 1.00 0.00 O ATOM 775 CB ALA A 48 2.721 2.372 10.091 1.00 0.00 C ATOM 0 H ALA A 48 0.506 1.506 10.742 1.00 0.00 H new ATOM 0 HA ALA A 48 1.351 3.885 9.452 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.580 2.824 9.595 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.689 2.698 11.131 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.810 1.286 10.054 1.00 0.00 H new ATOM 781 N CYS A 49 1.094 1.193 7.605 1.00 0.00 N ATOM 782 CA CYS A 49 1.096 0.707 6.231 1.00 0.00 C ATOM 783 C CYS A 49 0.082 1.470 5.385 1.00 0.00 C ATOM 784 O CYS A 49 0.362 1.841 4.245 1.00 0.00 O ATOM 785 CB CYS A 49 0.782 -0.790 6.196 1.00 0.00 C ATOM 786 SG CYS A 49 0.975 -1.547 4.565 1.00 0.00 S ATOM 0 H CYS A 49 0.761 0.516 8.291 1.00 0.00 H new ATOM 0 HA CYS A 49 2.090 0.872 5.815 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.434 -1.304 6.903 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.242 -0.944 6.537 1.00 0.00 H new ATOM 0 HG CYS A 49 0.898 -2.840 4.675 1.00 0.00 H new ATOM 792 N LEU A 50 -1.098 1.702 5.952 1.00 0.00 N ATOM 793 CA LEU A 50 -2.154 2.422 5.250 1.00 0.00 C ATOM 794 C LEU A 50 -1.708 3.839 4.905 1.00 0.00 C ATOM 795 O LEU A 50 -1.847 4.284 3.766 1.00 0.00 O ATOM 796 CB LEU A 50 -3.423 2.467 6.104 1.00 0.00 C ATOM 797 CG LEU A 50 -3.931 1.106 6.581 1.00 0.00 C ATOM 798 CD1 LEU A 50 -5.070 1.279 7.574 1.00 0.00 C ATOM 799 CD2 LEU A 50 -4.378 0.260 5.397 1.00 0.00 C ATOM 0 H LEU A 50 -1.346 1.402 6.895 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.368 1.892 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.234 3.093 6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.212 2.951 5.529 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.113 0.590 7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.418 0.300 7.902 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.718 1.847 8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.891 1.815 7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.737 -0.705 5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.181 0.772 4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.537 0.107 4.721 1.00 0.00 H new ATOM 811 N ASP A 51 -1.172 4.544 5.897 1.00 0.00 N ATOM 812 CA ASP A 51 -0.705 5.911 5.697 1.00 0.00 C ATOM 813 C ASP A 51 0.437 5.952 4.686 1.00 0.00 C ATOM 814 O ASP A 51 0.595 6.928 3.953 1.00 0.00 O ATOM 815 CB ASP A 51 -0.248 6.515 7.026 1.00 0.00 C ATOM 816 CG ASP A 51 -1.345 7.311 7.706 1.00 0.00 C ATOM 817 OD1 ASP A 51 -2.162 7.927 6.991 1.00 0.00 O ATOM 818 OD2 ASP A 51 -1.386 7.318 8.955 1.00 0.00 O ATOM 0 H ASP A 51 -1.051 4.191 6.846 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.535 6.499 5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.083 5.717 7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.612 7.162 6.852 1.00 0.00 H new ATOM 823 N GLU A 52 1.230 4.886 4.653 1.00 0.00 N ATOM 824 CA GLU A 52 2.357 4.800 3.732 1.00 0.00 C ATOM 825 C GLU A 52 1.876 4.785 2.285 1.00 0.00 C ATOM 826 O GLU A 52 2.287 5.617 1.476 1.00 0.00 O ATOM 827 CB GLU A 52 3.184 3.545 4.022 1.00 0.00 C ATOM 828 CG GLU A 52 4.684 3.771 3.929 1.00 0.00 C ATOM 829 CD GLU A 52 5.329 3.969 5.287 1.00 0.00 C ATOM 830 OE1 GLU A 52 4.951 3.247 6.234 1.00 0.00 O ATOM 831 OE2 GLU A 52 6.212 4.844 5.403 1.00 0.00 O ATOM 0 H GLU A 52 1.113 4.070 5.253 1.00 0.00 H new ATOM 0 HA GLU A 52 2.983 5.680 3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.941 3.182 5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.899 2.762 3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.146 2.918 3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.878 4.645 3.308 1.00 0.00 H new ATOM 838 N ALA A 53 1.004 3.835 1.966 1.00 0.00 N ATOM 839 CA ALA A 53 0.467 3.713 0.616 1.00 0.00 C ATOM 840 C ALA A 53 -0.269 4.983 0.202 1.00 0.00 C ATOM 841 O ALA A 53 -0.185 5.415 -0.947 1.00 0.00 O ATOM 842 CB ALA A 53 -0.459 2.509 0.524 1.00 0.00 C ATOM 0 H ALA A 53 0.654 3.138 2.624 1.00 0.00 H new ATOM 0 HA ALA A 53 1.302 3.568 -0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.853 2.430 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.096 1.604 0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.284 2.630 1.226 1.00 0.00 H new ATOM 848 N GLY A 54 -0.990 5.577 1.147 1.00 0.00 N ATOM 849 CA GLY A 54 -1.729 6.793 0.862 1.00 0.00 C ATOM 850 C GLY A 54 -0.824 7.941 0.460 1.00 0.00 C ATOM 851 O GLY A 54 -1.155 8.716 -0.437 1.00 0.00 O ATOM 0 H GLY A 54 -1.076 5.238 2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.444 6.601 0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.305 7.079 1.742 1.00 0.00 H new ATOM 855 N ASP A 55 0.321 8.049 1.126 1.00 0.00 N ATOM 856 CA ASP A 55 1.277 9.111 0.833 1.00 0.00 C ATOM 857 C ASP A 55 1.986 8.850 -0.492 1.00 0.00 C ATOM 858 O ASP A 55 2.294 9.781 -1.237 1.00 0.00 O ATOM 859 CB ASP A 55 2.302 9.229 1.965 1.00 0.00 C ATOM 860 CG ASP A 55 2.349 10.623 2.558 1.00 0.00 C ATOM 861 OD1 ASP A 55 2.924 11.525 1.912 1.00 0.00 O ATOM 862 OD2 ASP A 55 1.811 10.814 3.669 1.00 0.00 O ATOM 0 H ASP A 55 0.609 7.415 1.871 1.00 0.00 H new ATOM 0 HA ASP A 55 0.730 10.050 0.752 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.058 8.512 2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.289 8.964 1.587 1.00 0.00 H new ATOM 867 N ASN A 56 2.242 7.578 -0.780 1.00 0.00 N ATOM 868 CA ASN A 56 2.913 7.194 -2.016 1.00 0.00 C ATOM 869 C ASN A 56 2.018 7.455 -3.223 1.00 0.00 C ATOM 870 O ASN A 56 2.466 7.994 -4.235 1.00 0.00 O ATOM 871 CB ASN A 56 3.307 5.716 -1.969 1.00 0.00 C ATOM 872 CG ASN A 56 4.699 5.507 -1.405 1.00 0.00 C ATOM 873 OD1 ASN A 56 4.813 4.616 -0.427 1.00 0.00 O flip ATOM 874 ND2 ASN A 56 5.661 6.138 -1.843 1.00 0.00 N flip ATOM 0 H ASN A 56 1.995 6.796 -0.174 1.00 0.00 H new ATOM 0 HA ASN A 56 3.814 7.800 -2.115 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.586 5.170 -1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.259 5.298 -2.974 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.528 6.813 -2.596 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.591 5.985 -1.453 1.00 0.00 H new ATOM 881 N LEU A 57 0.752 7.070 -3.107 1.00 0.00 N ATOM 882 CA LEU A 57 -0.208 7.263 -4.188 1.00 0.00 C ATOM 883 C LEU A 57 -0.413 8.748 -4.473 1.00 0.00 C ATOM 884 O LEU A 57 -0.400 9.176 -5.627 1.00 0.00 O ATOM 885 CB LEU A 57 -1.545 6.609 -3.834 1.00 0.00 C ATOM 886 CG LEU A 57 -2.234 5.879 -4.988 1.00 0.00 C ATOM 887 CD1 LEU A 57 -3.501 5.191 -4.504 1.00 0.00 C ATOM 888 CD2 LEU A 57 -2.549 6.848 -6.117 1.00 0.00 C ATOM 0 H LEU A 57 0.366 6.622 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 57 0.192 6.791 -5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.382 5.901 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.219 7.377 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.555 5.116 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.977 4.677 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.249 4.468 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.186 5.935 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.039 6.312 -6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.210 7.633 -5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.624 7.294 -6.482 1.00 0.00 H new ATOM 900 N ALA A 58 -0.603 9.528 -3.414 1.00 0.00 N ATOM 901 CA ALA A 58 -0.810 10.964 -3.549 1.00 0.00 C ATOM 902 C ALA A 58 0.435 11.648 -4.104 1.00 0.00 C ATOM 903 O ALA A 58 0.344 12.511 -4.977 1.00 0.00 O ATOM 904 CB ALA A 58 -1.195 11.570 -2.208 1.00 0.00 C ATOM 0 H ALA A 58 -0.618 9.189 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.625 11.124 -4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.347 12.643 -2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.117 11.110 -1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.398 11.392 -1.486 1.00 0.00 H new ATOM 910 N ALA A 59 1.597 11.255 -3.592 1.00 0.00 N ATOM 911 CA ALA A 59 2.860 11.830 -4.037 1.00 0.00 C ATOM 912 C ALA A 59 3.196 11.383 -5.456 1.00 0.00 C ATOM 913 O ALA A 59 3.825 12.118 -6.217 1.00 0.00 O ATOM 914 CB ALA A 59 3.980 11.446 -3.081 1.00 0.00 C ATOM 0 H ALA A 59 1.689 10.541 -2.869 1.00 0.00 H new ATOM 0 HA ALA A 59 2.757 12.915 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.918 11.882 -3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.751 11.820 -2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.075 10.361 -3.049 1.00 0.00 H new ATOM 920 N LEU A 60 2.772 10.172 -5.805 1.00 0.00 N ATOM 921 CA LEU A 60 3.027 9.627 -7.133 1.00 0.00 C ATOM 922 C LEU A 60 2.242 10.392 -8.193 1.00 0.00 C ATOM 923 O LEU A 60 2.800 10.832 -9.198 1.00 0.00 O ATOM 924 CB LEU A 60 2.656 8.143 -7.178 1.00 0.00 C ATOM 925 CG LEU A 60 2.828 7.474 -8.543 1.00 0.00 C ATOM 926 CD1 LEU A 60 3.246 6.021 -8.376 1.00 0.00 C ATOM 927 CD2 LEU A 60 1.542 7.571 -9.349 1.00 0.00 C ATOM 0 H LEU A 60 2.251 9.550 -5.187 1.00 0.00 H new ATOM 0 HA LEU A 60 4.091 9.735 -7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.266 7.609 -6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.618 8.034 -6.865 1.00 0.00 H new ATOM 0 HG LEU A 60 3.615 7.997 -9.087 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.364 5.561 -9.357 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.193 5.974 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.482 5.485 -7.813 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.682 7.090 -10.317 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.736 7.073 -8.810 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.285 8.620 -9.499 1.00 0.00 H new ATOM 939 N ARG A 61 0.942 10.549 -7.960 1.00 0.00 N ATOM 940 CA ARG A 61 0.080 11.263 -8.894 1.00 0.00 C ATOM 941 C ARG A 61 0.483 12.730 -8.991 1.00 0.00 C ATOM 942 O ARG A 61 0.395 13.339 -10.056 1.00 0.00 O ATOM 943 CB ARG A 61 -1.382 11.151 -8.458 1.00 0.00 C ATOM 944 CG ARG A 61 -2.358 11.051 -9.620 1.00 0.00 C ATOM 945 CD ARG A 61 -3.798 11.171 -9.149 1.00 0.00 C ATOM 946 NE ARG A 61 -4.721 10.454 -10.025 1.00 0.00 N ATOM 947 CZ ARG A 61 -6.034 10.674 -10.058 1.00 0.00 C ATOM 948 NH1 ARG A 61 -6.580 11.590 -9.268 1.00 0.00 N ATOM 949 NH2 ARG A 61 -6.802 9.978 -10.885 1.00 0.00 N ATOM 0 H ARG A 61 0.464 10.191 -7.133 1.00 0.00 H new ATOM 0 HA ARG A 61 0.194 10.807 -9.878 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.496 10.273 -7.822 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.639 12.020 -7.852 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.144 11.837 -10.345 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.220 10.099 -10.132 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.882 10.779 -8.135 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.080 12.223 -9.108 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.337 9.743 -10.648 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.993 12.130 -8.631 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.586 11.754 -9.297 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.387 9.274 -11.496 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.808 10.146 -10.910 1.00 0.00 H new ATOM 963 N HIS A 62 0.925 13.292 -7.872 1.00 0.00 N ATOM 964 CA HIS A 62 1.343 14.688 -7.830 1.00 0.00 C ATOM 965 C HIS A 62 2.728 14.862 -8.448 1.00 0.00 C ATOM 966 O HIS A 62 3.052 15.924 -8.981 1.00 0.00 O ATOM 967 CB HIS A 62 1.349 15.196 -6.387 1.00 0.00 C ATOM 968 CG HIS A 62 1.427 16.688 -6.278 1.00 0.00 C ATOM 969 ND1 HIS A 62 0.349 17.475 -5.932 1.00 0.00 N ATOM 970 CD2 HIS A 62 2.464 17.537 -6.470 1.00 0.00 C ATOM 971 CE1 HIS A 62 0.719 18.743 -5.917 1.00 0.00 C ATOM 972 NE2 HIS A 62 1.998 18.808 -6.240 1.00 0.00 N ATOM 0 H HIS A 62 1.003 12.802 -6.981 1.00 0.00 H new ATOM 0 HA HIS A 62 0.630 15.272 -8.412 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.446 14.850 -5.885 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.195 14.757 -5.859 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.471 17.265 -6.752 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.084 19.584 -5.681 1.00 0.00 H new ATOM 0 HE2 HIS A 62 2.550 19.663 -6.308 1.00 0.00 H new ATOM 981 N ALA A 63 3.542 13.815 -8.368 1.00 0.00 N ATOM 982 CA ALA A 63 4.894 13.851 -8.913 1.00 0.00 C ATOM 983 C ALA A 63 4.885 14.163 -10.407 1.00 0.00 C ATOM 984 O ALA A 63 5.731 14.909 -10.899 1.00 0.00 O ATOM 985 CB ALA A 63 5.601 12.529 -8.654 1.00 0.00 C ATOM 0 H ALA A 63 3.288 12.929 -7.930 1.00 0.00 H new ATOM 0 HA ALA A 63 5.437 14.650 -8.409 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.609 12.569 -9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.654 12.349 -7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.046 11.720 -9.130 1.00 0.00 H new ATOM 991 N VAL A 64 3.926 13.586 -11.126 1.00 0.00 N ATOM 992 CA VAL A 64 3.816 13.804 -12.565 1.00 0.00 C ATOM 993 C VAL A 64 3.734 15.291 -12.896 1.00 0.00 C ATOM 994 O VAL A 64 4.166 15.724 -13.964 1.00 0.00 O ATOM 995 CB VAL A 64 2.585 13.085 -13.154 1.00 0.00 C ATOM 996 CG1 VAL A 64 2.663 11.589 -12.886 1.00 0.00 C ATOM 997 CG2 VAL A 64 1.297 13.670 -12.591 1.00 0.00 C ATOM 0 H VAL A 64 3.216 12.966 -10.737 1.00 0.00 H new ATOM 0 HA VAL A 64 4.717 13.387 -13.014 1.00 0.00 H new ATOM 0 HB VAL A 64 2.581 13.239 -14.233 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.787 11.098 -13.308 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.564 11.183 -13.347 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.695 11.413 -11.811 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.442 13.148 -13.020 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.287 13.553 -11.507 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.238 14.729 -12.842 1.00 0.00 H new ATOM 1007 N GLU A 65 3.176 16.068 -11.973 1.00 0.00 N ATOM 1008 CA GLU A 65 3.039 17.507 -12.168 1.00 0.00 C ATOM 1009 C GLU A 65 4.401 18.193 -12.147 1.00 0.00 C ATOM 1010 O GLU A 65 4.598 19.225 -12.788 1.00 0.00 O ATOM 1011 CB GLU A 65 2.137 18.104 -11.086 1.00 0.00 C ATOM 1012 CG GLU A 65 0.793 17.406 -10.960 1.00 0.00 C ATOM 1013 CD GLU A 65 -0.262 18.004 -11.870 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -0.316 17.610 -13.054 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -1.033 18.865 -11.398 1.00 0.00 O ATOM 0 H GLU A 65 2.812 15.726 -11.084 1.00 0.00 H new ATOM 0 HA GLU A 65 2.585 17.674 -13.145 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.653 18.056 -10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.970 19.159 -11.305 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.913 16.349 -11.195 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.452 17.466 -9.926 1.00 0.00 H new ATOM 1022 N GLN A 66 5.340 17.613 -11.405 1.00 0.00 N ATOM 1023 CA GLN A 66 6.684 18.169 -11.301 1.00 0.00 C ATOM 1024 C GLN A 66 7.639 17.494 -12.284 1.00 0.00 C ATOM 1025 O GLN A 66 8.855 17.524 -12.099 1.00 0.00 O ATOM 1026 CB GLN A 66 7.212 18.014 -9.873 1.00 0.00 C ATOM 1027 CG GLN A 66 8.011 19.212 -9.386 1.00 0.00 C ATOM 1028 CD GLN A 66 7.962 19.372 -7.879 1.00 0.00 C ATOM 1029 OE1 GLN A 66 7.642 18.430 -7.154 1.00 0.00 O ATOM 1030 NE2 GLN A 66 8.279 20.569 -7.400 1.00 0.00 N ATOM 0 H GLN A 66 5.194 16.759 -10.867 1.00 0.00 H new ATOM 0 HA GLN A 66 6.628 19.228 -11.551 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.371 17.851 -9.199 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.839 17.124 -9.821 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.048 19.105 -9.703 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.626 20.117 -9.856 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.538 21.321 -8.038 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.263 20.736 -6.394 1.00 0.00 H new ATOM 1039 N GLN A 67 7.082 16.886 -13.328 1.00 0.00 N ATOM 1040 CA GLN A 67 7.889 16.207 -14.336 1.00 0.00 C ATOM 1041 C GLN A 67 8.695 15.070 -13.713 1.00 0.00 C ATOM 1042 O GLN A 67 9.860 14.863 -14.052 1.00 0.00 O ATOM 1043 CB GLN A 67 8.829 17.200 -15.022 1.00 0.00 C ATOM 1044 CG GLN A 67 8.109 18.215 -15.895 1.00 0.00 C ATOM 1045 CD GLN A 67 7.651 17.627 -17.215 1.00 0.00 C ATOM 1046 OE1 GLN A 67 6.523 16.926 -17.191 1.00 0.00 O flip ATOM 1047 NE2 GLN A 67 8.303 17.800 -18.245 1.00 0.00 N flip ATOM 0 H GLN A 67 6.077 16.850 -13.497 1.00 0.00 H new ATOM 0 HA GLN A 67 7.215 15.784 -15.081 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.403 17.729 -14.261 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.543 16.649 -15.634 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.246 18.605 -15.356 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.772 19.058 -16.088 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.164 18.346 -18.218 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.982 17.398 -19.126 1.00 0.00 H new ATOM 1056 N GLN A 68 8.065 14.336 -12.802 1.00 0.00 N ATOM 1057 CA GLN A 68 8.722 13.220 -12.131 1.00 0.00 C ATOM 1058 C GLN A 68 8.160 11.888 -12.615 1.00 0.00 C ATOM 1059 O GLN A 68 8.007 10.947 -11.836 1.00 0.00 O ATOM 1060 CB GLN A 68 8.556 13.338 -10.615 1.00 0.00 C ATOM 1061 CG GLN A 68 9.633 14.177 -9.948 1.00 0.00 C ATOM 1062 CD GLN A 68 9.162 14.804 -8.650 1.00 0.00 C ATOM 1063 OE1 GLN A 68 9.262 16.016 -8.460 1.00 0.00 O ATOM 1064 NE2 GLN A 68 8.647 13.977 -7.747 1.00 0.00 N ATOM 0 H GLN A 68 7.100 14.494 -12.511 1.00 0.00 H new ATOM 0 HA GLN A 68 9.784 13.256 -12.375 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.581 13.774 -10.398 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.563 12.339 -10.178 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.505 13.553 -9.751 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.952 14.963 -10.632 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.584 12.979 -7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.315 14.340 -6.854 1.00 0.00 H new ATOM 1073 N LEU A 69 7.852 11.814 -13.907 1.00 0.00 N ATOM 1074 CA LEU A 69 7.305 10.596 -14.497 1.00 0.00 C ATOM 1075 C LEU A 69 8.180 9.380 -14.182 1.00 0.00 C ATOM 1076 O LEU A 69 7.666 8.319 -13.826 1.00 0.00 O ATOM 1077 CB LEU A 69 7.155 10.754 -16.013 1.00 0.00 C ATOM 1078 CG LEU A 69 6.336 11.966 -16.461 1.00 0.00 C ATOM 1079 CD1 LEU A 69 6.516 12.211 -17.951 1.00 0.00 C ATOM 1080 CD2 LEU A 69 4.865 11.768 -16.126 1.00 0.00 C ATOM 0 H LEU A 69 7.972 12.584 -14.566 1.00 0.00 H new ATOM 0 HA LEU A 69 6.322 10.430 -14.057 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.149 10.823 -16.456 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.690 9.853 -16.412 1.00 0.00 H new ATOM 0 HG LEU A 69 6.697 12.843 -15.923 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.926 13.077 -18.251 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.569 12.397 -18.165 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.183 11.335 -18.507 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.297 12.640 -16.452 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.492 10.880 -16.637 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.751 11.642 -15.049 1.00 0.00 H new ATOM 1092 N PRO A 70 9.515 9.511 -14.305 1.00 0.00 N ATOM 1093 CA PRO A 70 10.440 8.407 -14.025 1.00 0.00 C ATOM 1094 C PRO A 70 10.285 7.870 -12.606 1.00 0.00 C ATOM 1095 O PRO A 70 10.422 6.671 -12.366 1.00 0.00 O ATOM 1096 CB PRO A 70 11.826 9.035 -14.207 1.00 0.00 C ATOM 1097 CG PRO A 70 11.597 10.225 -15.073 1.00 0.00 C ATOM 1098 CD PRO A 70 10.229 10.733 -14.720 1.00 0.00 C ATOM 0 HA PRO A 70 10.259 7.554 -14.679 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.259 9.321 -13.249 1.00 0.00 H new ATOM 0 HB3 PRO A 70 12.519 8.335 -14.673 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.355 10.988 -14.896 1.00 0.00 H new ATOM 0 HG3 PRO A 70 11.654 9.957 -16.128 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.267 11.470 -13.918 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.745 11.213 -15.571 1.00 0.00 H new ATOM 1106 N GLN A 71 9.998 8.768 -11.668 1.00 0.00 N ATOM 1107 CA GLN A 71 9.824 8.386 -10.271 1.00 0.00 C ATOM 1108 C GLN A 71 8.586 7.512 -10.094 1.00 0.00 C ATOM 1109 O GLN A 71 8.535 6.666 -9.201 1.00 0.00 O ATOM 1110 CB GLN A 71 9.711 9.633 -9.391 1.00 0.00 C ATOM 1111 CG GLN A 71 11.027 10.373 -9.215 1.00 0.00 C ATOM 1112 CD GLN A 71 12.134 9.479 -8.693 1.00 0.00 C ATOM 1113 OE1 GLN A 71 12.355 9.385 -7.486 1.00 0.00 O ATOM 1114 NE2 GLN A 71 12.837 8.815 -9.604 1.00 0.00 N ATOM 0 H GLN A 71 9.881 9.765 -11.850 1.00 0.00 H new ATOM 0 HA GLN A 71 10.698 7.811 -9.967 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.978 10.311 -9.828 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.333 9.343 -8.411 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.330 10.800 -10.171 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.882 11.205 -8.526 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.619 8.923 -10.595 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.595 8.197 -9.313 1.00 0.00 H new ATOM 1123 N VAL A 72 7.591 7.721 -10.950 1.00 0.00 N ATOM 1124 CA VAL A 72 6.353 6.951 -10.887 1.00 0.00 C ATOM 1125 C VAL A 72 6.628 5.455 -11.004 1.00 0.00 C ATOM 1126 O VAL A 72 5.884 4.634 -10.468 1.00 0.00 O ATOM 1127 CB VAL A 72 5.374 7.370 -12.000 1.00 0.00 C ATOM 1128 CG1 VAL A 72 4.028 6.686 -11.814 1.00 0.00 C ATOM 1129 CG2 VAL A 72 5.211 8.883 -12.026 1.00 0.00 C ATOM 0 H VAL A 72 7.617 8.417 -11.695 1.00 0.00 H new ATOM 0 HA VAL A 72 5.901 7.159 -9.917 1.00 0.00 H new ATOM 0 HB VAL A 72 5.787 7.055 -12.958 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.350 6.995 -12.610 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.161 5.605 -11.850 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.607 6.968 -10.849 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.516 9.161 -12.818 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.822 9.224 -11.066 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.178 9.350 -12.212 1.00 0.00 H new ATOM 1139 N ALA A 73 7.701 5.107 -11.707 1.00 0.00 N ATOM 1140 CA ALA A 73 8.072 3.710 -11.892 1.00 0.00 C ATOM 1141 C ALA A 73 8.380 3.043 -10.555 1.00 0.00 C ATOM 1142 O ALA A 73 7.836 1.985 -10.238 1.00 0.00 O ATOM 1143 CB ALA A 73 9.268 3.601 -12.826 1.00 0.00 C ATOM 0 H ALA A 73 8.328 5.773 -12.157 1.00 0.00 H new ATOM 0 HA ALA A 73 7.226 3.191 -12.341 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.534 2.552 -12.955 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.014 4.033 -13.794 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.114 4.140 -12.399 1.00 0.00 H new ATOM 1149 N TRP A 74 9.253 3.671 -9.775 1.00 0.00 N ATOM 1150 CA TRP A 74 9.633 3.139 -8.471 1.00 0.00 C ATOM 1151 C TRP A 74 8.455 3.181 -7.503 1.00 0.00 C ATOM 1152 O TRP A 74 8.153 2.193 -6.833 1.00 0.00 O ATOM 1153 CB TRP A 74 10.811 3.930 -7.898 1.00 0.00 C ATOM 1154 CG TRP A 74 11.920 3.060 -7.390 1.00 0.00 C ATOM 1155 CD1 TRP A 74 12.628 2.135 -8.103 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.449 3.033 -6.060 1.00 0.00 C ATOM 1157 NE1 TRP A 74 13.564 1.535 -7.297 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.474 2.069 -6.038 1.00 0.00 C ATOM 1159 CE3 TRP A 74 12.155 3.731 -4.885 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 14.206 1.786 -4.887 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 12.882 3.449 -3.743 1.00 0.00 C ATOM 1162 CH2 TRP A 74 13.897 2.484 -3.752 1.00 0.00 C ATOM 0 H TRP A 74 9.711 4.548 -10.023 1.00 0.00 H new ATOM 0 HA TRP A 74 9.934 2.100 -8.603 1.00 0.00 H new ATOM 0 HB2 TRP A 74 11.203 4.593 -8.669 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.454 4.562 -7.085 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.474 1.909 -9.148 1.00 0.00 H new ATOM 0 HE1 TRP A 74 14.220 0.810 -7.588 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.374 4.477 -4.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 14.989 1.042 -4.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 12.664 3.982 -2.829 1.00 0.00 H new ATOM 0 HH2 TRP A 74 14.447 2.287 -2.844 1.00 0.00 H new ATOM 1173 N LEU A 75 7.791 4.331 -7.436 1.00 0.00 N ATOM 1174 CA LEU A 75 6.645 4.502 -6.551 1.00 0.00 C ATOM 1175 C LEU A 75 5.536 3.517 -6.903 1.00 0.00 C ATOM 1176 O LEU A 75 4.860 2.986 -6.022 1.00 0.00 O ATOM 1177 CB LEU A 75 6.117 5.935 -6.637 1.00 0.00 C ATOM 1178 CG LEU A 75 7.130 7.021 -6.270 1.00 0.00 C ATOM 1179 CD1 LEU A 75 6.886 8.278 -7.090 1.00 0.00 C ATOM 1180 CD2 LEU A 75 7.062 7.331 -4.782 1.00 0.00 C ATOM 0 H LEU A 75 8.027 5.158 -7.984 1.00 0.00 H new ATOM 0 HA LEU A 75 6.972 4.304 -5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.765 6.116 -7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.253 6.028 -5.979 1.00 0.00 H new ATOM 0 HG LEU A 75 8.130 6.652 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.616 9.039 -6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.986 8.046 -8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.881 8.651 -6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.789 8.106 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.061 7.680 -4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.287 6.430 -4.212 1.00 0.00 H new ATOM 1192 N ALA A 76 5.354 3.276 -8.198 1.00 0.00 N ATOM 1193 CA ALA A 76 4.327 2.354 -8.667 1.00 0.00 C ATOM 1194 C ALA A 76 4.578 0.944 -8.145 1.00 0.00 C ATOM 1195 O ALA A 76 3.697 0.327 -7.547 1.00 0.00 O ATOM 1196 CB ALA A 76 4.273 2.355 -10.187 1.00 0.00 C ATOM 0 H ALA A 76 5.905 3.707 -8.941 1.00 0.00 H new ATOM 0 HA ALA A 76 3.365 2.691 -8.280 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.502 1.662 -10.524 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.039 3.359 -10.542 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.239 2.045 -10.586 1.00 0.00 H new ATOM 1202 N GLU A 77 5.786 0.440 -8.374 1.00 0.00 N ATOM 1203 CA GLU A 77 6.153 -0.898 -7.926 1.00 0.00 C ATOM 1204 C GLU A 77 6.044 -1.011 -6.408 1.00 0.00 C ATOM 1205 O GLU A 77 5.607 -2.034 -5.882 1.00 0.00 O ATOM 1206 CB GLU A 77 7.577 -1.237 -8.376 1.00 0.00 C ATOM 1207 CG GLU A 77 7.629 -2.199 -9.552 1.00 0.00 C ATOM 1208 CD GLU A 77 7.920 -1.499 -10.865 1.00 0.00 C ATOM 1209 OE1 GLU A 77 8.874 -0.695 -10.910 1.00 0.00 O ATOM 1210 OE2 GLU A 77 7.193 -1.755 -11.848 1.00 0.00 O ATOM 0 H GLU A 77 6.527 0.938 -8.867 1.00 0.00 H new ATOM 0 HA GLU A 77 5.460 -1.609 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.093 -0.316 -8.647 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.121 -1.671 -7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.396 -2.951 -9.368 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.678 -2.726 -9.628 1.00 0.00 H new ATOM 1217 N HIS A 78 6.443 0.048 -5.711 1.00 0.00 N ATOM 1218 CA HIS A 78 6.390 0.068 -4.254 1.00 0.00 C ATOM 1219 C HIS A 78 4.947 0.020 -3.763 1.00 0.00 C ATOM 1220 O HIS A 78 4.623 -0.712 -2.827 1.00 0.00 O ATOM 1221 CB HIS A 78 7.083 1.321 -3.715 1.00 0.00 C ATOM 1222 CG HIS A 78 7.786 1.101 -2.411 1.00 0.00 C ATOM 1223 ND1 HIS A 78 7.559 0.203 -1.423 1.00 0.00 N flip ATOM 1224 CD2 HIS A 78 8.864 1.856 -2.000 1.00 0.00 C flip ATOM 1225 CE1 HIS A 78 8.495 0.431 -0.444 1.00 0.00 C flip ATOM 1226 NE2 HIS A 78 9.270 1.432 -0.816 1.00 0.00 N flip ATOM 0 H HIS A 78 6.806 0.903 -6.132 1.00 0.00 H new ATOM 0 HA HIS A 78 6.911 -0.815 -3.883 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.804 1.673 -4.452 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.342 2.111 -3.591 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.307 2.667 -2.558 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.582 -0.120 0.481 1.00 0.00 H new ATOM 0 HE2 HIS A 78 10.050 1.814 -0.281 1.00 0.00 H new ATOM 1235 N LEU A 79 4.083 0.804 -4.400 1.00 0.00 N ATOM 1236 CA LEU A 79 2.674 0.850 -4.028 1.00 0.00 C ATOM 1237 C LEU A 79 2.018 -0.514 -4.220 1.00 0.00 C ATOM 1238 O LEU A 79 1.330 -1.013 -3.329 1.00 0.00 O ATOM 1239 CB LEU A 79 1.940 1.905 -4.857 1.00 0.00 C ATOM 1240 CG LEU A 79 1.951 3.316 -4.267 1.00 0.00 C ATOM 1241 CD1 LEU A 79 1.551 4.338 -5.320 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.025 3.396 -3.064 1.00 0.00 C ATOM 0 H LEU A 79 4.334 1.416 -5.176 1.00 0.00 H new ATOM 0 HA LEU A 79 2.609 1.119 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.387 1.940 -5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.905 1.589 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 79 2.964 3.544 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.564 5.336 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.254 4.297 -6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.547 4.114 -5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.045 4.407 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.009 3.148 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.357 2.691 -2.302 1.00 0.00 H new ATOM 1254 N ALA A 80 2.235 -1.111 -5.387 1.00 0.00 N ATOM 1255 CA ALA A 80 1.666 -2.417 -5.695 1.00 0.00 C ATOM 1256 C ALA A 80 2.146 -3.471 -4.703 1.00 0.00 C ATOM 1257 O ALA A 80 1.401 -4.380 -4.339 1.00 0.00 O ATOM 1258 CB ALA A 80 2.021 -2.825 -7.116 1.00 0.00 C ATOM 0 H ALA A 80 2.801 -0.711 -6.135 1.00 0.00 H new ATOM 0 HA ALA A 80 0.582 -2.344 -5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.590 -3.802 -7.332 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.623 -2.090 -7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.105 -2.876 -7.220 1.00 0.00 H new ATOM 1264 N ALA A 81 3.396 -3.340 -4.269 1.00 0.00 N ATOM 1265 CA ALA A 81 3.977 -4.281 -3.319 1.00 0.00 C ATOM 1266 C ALA A 81 3.315 -4.156 -1.951 1.00 0.00 C ATOM 1267 O ALA A 81 3.141 -5.146 -1.241 1.00 0.00 O ATOM 1268 CB ALA A 81 5.477 -4.055 -3.204 1.00 0.00 C ATOM 0 H ALA A 81 4.025 -2.592 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 81 3.800 -5.291 -3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.898 -4.764 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.943 -4.200 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.666 -3.038 -2.859 1.00 0.00 H new ATOM 1274 N GLN A 82 2.947 -2.931 -1.588 1.00 0.00 N ATOM 1275 CA GLN A 82 2.303 -2.676 -0.304 1.00 0.00 C ATOM 1276 C GLN A 82 0.891 -3.253 -0.280 1.00 0.00 C ATOM 1277 O GLN A 82 0.532 -4.002 0.629 1.00 0.00 O ATOM 1278 CB GLN A 82 2.257 -1.173 -0.023 1.00 0.00 C ATOM 1279 CG GLN A 82 3.598 -0.590 0.389 1.00 0.00 C ATOM 1280 CD GLN A 82 3.653 0.917 0.229 1.00 0.00 C ATOM 1281 OE1 GLN A 82 2.811 1.623 0.976 1.00 0.00 O flip ATOM 1282 NE2 GLN A 82 4.443 1.441 -0.556 1.00 0.00 N flip ATOM 0 H GLN A 82 3.084 -2.100 -2.164 1.00 0.00 H new ATOM 0 HA GLN A 82 2.890 -3.166 0.473 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.904 -0.656 -0.915 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.529 -0.981 0.766 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.798 -0.849 1.429 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.387 -1.044 -0.210 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.072 0.860 -1.110 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.469 2.456 -0.652 1.00 0.00 H new ATOM 1291 N LEU A 83 0.096 -2.901 -1.285 1.00 0.00 N ATOM 1292 CA LEU A 83 -1.277 -3.384 -1.379 1.00 0.00 C ATOM 1293 C LEU A 83 -1.310 -4.907 -1.469 1.00 0.00 C ATOM 1294 O LEU A 83 -2.122 -5.560 -0.812 1.00 0.00 O ATOM 1295 CB LEU A 83 -1.974 -2.769 -2.596 1.00 0.00 C ATOM 1296 CG LEU A 83 -3.157 -1.855 -2.270 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -3.563 -1.051 -3.495 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -4.331 -2.671 -1.752 1.00 0.00 C ATOM 0 H LEU A 83 0.379 -2.283 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.808 -3.081 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.241 -2.199 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.324 -3.575 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.851 -1.158 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.406 -0.407 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.723 -0.439 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.852 -1.730 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.164 -2.006 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.637 -3.390 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.034 -3.202 -0.848 1.00 0.00 H new ATOM 1310 N GLU A 84 -0.423 -5.467 -2.285 1.00 0.00 N ATOM 1311 CA GLU A 84 -0.351 -6.913 -2.460 1.00 0.00 C ATOM 1312 C GLU A 84 0.065 -7.597 -1.161 1.00 0.00 C ATOM 1313 O GLU A 84 -0.444 -8.665 -0.820 1.00 0.00 O ATOM 1314 CB GLU A 84 0.637 -7.264 -3.574 1.00 0.00 C ATOM 1315 CG GLU A 84 0.039 -7.169 -4.969 1.00 0.00 C ATOM 1316 CD GLU A 84 0.318 -8.400 -5.809 1.00 0.00 C ATOM 1317 OE1 GLU A 84 1.450 -8.922 -5.740 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -0.598 -8.843 -6.534 1.00 0.00 O ATOM 0 H GLU A 84 0.256 -4.941 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.342 -7.271 -2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.496 -6.597 -3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.007 -8.277 -3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.038 -7.025 -4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.441 -6.291 -5.474 1.00 0.00 H new ATOM 1325 N ALA A 85 0.992 -6.975 -0.441 1.00 0.00 N ATOM 1326 CA ALA A 85 1.475 -7.523 0.820 1.00 0.00 C ATOM 1327 C ALA A 85 0.360 -7.576 1.858 1.00 0.00 C ATOM 1328 O ALA A 85 0.202 -8.572 2.564 1.00 0.00 O ATOM 1329 CB ALA A 85 2.644 -6.700 1.340 1.00 0.00 C ATOM 0 H ALA A 85 1.424 -6.091 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 85 1.815 -8.542 0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.995 -7.121 2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.454 -6.718 0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.322 -5.671 1.500 1.00 0.00 H new ATOM 1335 N ILE A 86 -0.412 -6.498 1.946 1.00 0.00 N ATOM 1336 CA ILE A 86 -1.514 -6.421 2.897 1.00 0.00 C ATOM 1337 C ILE A 86 -2.569 -7.482 2.599 1.00 0.00 C ATOM 1338 O ILE A 86 -3.139 -8.079 3.512 1.00 0.00 O ATOM 1339 CB ILE A 86 -2.179 -5.030 2.877 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -1.128 -3.935 3.069 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -3.250 -4.936 3.954 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -1.428 -2.668 2.299 1.00 0.00 C ATOM 0 H ILE A 86 -0.294 -5.665 1.369 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.092 -6.598 3.886 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.654 -4.887 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.053 -3.697 4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.156 -4.318 2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.709 -3.948 3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.012 -5.695 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.797 -5.098 4.932 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.641 -1.936 2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.474 -2.892 1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.385 -2.262 2.626 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.823 -7.711 1.315 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.809 -8.700 0.896 1.00 0.00 C ATOM 1356 C ALA A 87 -3.333 -10.115 1.207 1.00 0.00 C ATOM 1357 O ALA A 87 -4.120 -10.970 1.613 1.00 0.00 O ATOM 1358 CB ALA A 87 -4.104 -8.553 -0.588 1.00 0.00 C ATOM 0 H ALA A 87 -2.360 -7.225 0.547 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.727 -8.523 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.842 -9.297 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.495 -7.555 -0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.187 -8.701 -1.158 1.00 0.00 H new ATOM 1364 N ARG A 88 -2.040 -10.354 1.015 1.00 0.00 N ATOM 1365 CA ARG A 88 -1.459 -11.666 1.276 1.00 0.00 C ATOM 1366 C ARG A 88 -1.441 -11.965 2.772 1.00 0.00 C ATOM 1367 O ARG A 88 -1.926 -13.007 3.212 1.00 0.00 O ATOM 1368 CB ARG A 88 -0.038 -11.739 0.712 1.00 0.00 C ATOM 1369 CG ARG A 88 0.501 -13.156 0.606 1.00 0.00 C ATOM 1370 CD ARG A 88 1.972 -13.165 0.222 1.00 0.00 C ATOM 1371 NE ARG A 88 2.835 -12.849 1.358 1.00 0.00 N ATOM 1372 CZ ARG A 88 3.106 -13.702 2.343 1.00 0.00 C ATOM 1373 NH1 ARG A 88 2.583 -14.922 2.337 1.00 0.00 N ATOM 1374 NH2 ARG A 88 3.902 -13.334 3.338 1.00 0.00 N ATOM 0 H ARG A 88 -1.375 -9.657 0.680 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.078 -12.415 0.782 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.024 -11.279 -0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.627 -11.153 1.346 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.369 -13.669 1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.073 -13.710 -0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.238 -14.145 -0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.143 -12.442 -0.576 1.00 0.00 H new ATOM 0 HE ARG A 88 3.254 -11.920 1.398 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.970 -15.210 1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.794 -15.571 3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.306 -12.398 3.348 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.110 -13.987 4.093 1.00 0.00 H new ATOM 1388 N GLU A 89 -0.881 -11.043 3.548 1.00 0.00 N ATOM 1389 CA GLU A 89 -0.801 -11.208 4.995 1.00 0.00 C ATOM 1390 C GLU A 89 -2.194 -11.322 5.606 1.00 0.00 C ATOM 1391 O GLU A 89 -2.436 -12.164 6.470 1.00 0.00 O ATOM 1392 CB GLU A 89 -0.050 -10.033 5.624 1.00 0.00 C ATOM 1393 CG GLU A 89 -0.626 -8.675 5.256 1.00 0.00 C ATOM 1394 CD GLU A 89 -1.568 -8.136 6.315 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -2.175 -8.951 7.040 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -1.698 -6.898 6.419 1.00 0.00 O ATOM 0 H GLU A 89 -0.476 -10.174 3.199 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.256 -12.129 5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.064 -10.142 6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.994 -10.072 5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.189 -7.967 5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.158 -8.755 4.308 1.00 0.00 H new ATOM 1403 N ALA A 90 -3.106 -10.469 5.151 1.00 0.00 N ATOM 1404 CA ALA A 90 -4.474 -10.475 5.653 1.00 0.00 C ATOM 1405 C ALA A 90 -5.155 -11.810 5.371 1.00 0.00 C ATOM 1406 O ALA A 90 -5.921 -12.314 6.193 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.268 -9.335 5.034 1.00 0.00 C ATOM 0 H ALA A 90 -2.922 -9.765 4.436 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.440 -10.335 6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.288 -9.352 5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.800 -8.385 5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.286 -9.451 3.950 1.00 0.00 H new