USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0392 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= 0.343 (180deg=0.283) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0112) USER MOD Single : A 74 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.0024) USER MOD Single : A 79 GLN : amide:sc= -0.188 K(o=-0.19,f=-1) USER MOD Single : A 83 HIS : no HD1:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 84 HIS : no HE2:sc= -5.77! K(o=-5.8!,f=-4.9) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.328 USER MOD Single : A 98 GLN : amide:sc= -0.95 K(o=-0.95,f=-0.12) USER MOD Single : A 99 MET CE :methyl -153:sc= -4.38! (180deg=-8.07!) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 13 -8.142 -6.051 -16.501 1.00 0.00 N ATOM 149 CA GLU A 13 -7.312 -6.493 -15.393 1.00 0.00 C ATOM 150 C GLU A 13 -6.459 -5.334 -14.874 1.00 0.00 C ATOM 151 O GLU A 13 -5.961 -4.525 -15.656 1.00 0.00 O ATOM 152 CB GLU A 13 -6.435 -7.678 -15.805 1.00 0.00 C ATOM 153 CG GLU A 13 -5.218 -7.208 -16.603 1.00 0.00 C ATOM 154 CD GLU A 13 -4.400 -8.399 -17.108 1.00 0.00 C ATOM 155 OE1 GLU A 13 -3.853 -9.118 -16.245 1.00 0.00 O ATOM 156 OE2 GLU A 13 -4.342 -8.562 -18.346 1.00 0.00 O ATOM 0 HA GLU A 13 -7.964 -6.828 -14.586 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.106 -8.217 -14.917 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.019 -8.377 -16.404 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.545 -6.602 -17.448 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.592 -6.571 -15.977 1.00 0.00 H new ATOM 163 N GLU A 14 -6.316 -5.290 -13.557 1.00 0.00 N ATOM 164 CA GLU A 14 -5.532 -4.243 -12.924 1.00 0.00 C ATOM 165 C GLU A 14 -4.308 -3.906 -13.779 1.00 0.00 C ATOM 166 O GLU A 14 -3.728 -4.786 -14.413 1.00 0.00 O ATOM 167 CB GLU A 14 -5.116 -4.650 -11.509 1.00 0.00 C ATOM 168 CG GLU A 14 -6.258 -4.425 -10.516 1.00 0.00 C ATOM 169 CD GLU A 14 -5.844 -4.835 -9.101 1.00 0.00 C ATOM 170 OE1 GLU A 14 -5.104 -5.836 -8.995 1.00 0.00 O ATOM 171 OE2 GLU A 14 -6.277 -4.137 -8.159 1.00 0.00 O ATOM 0 H GLU A 14 -6.730 -5.962 -12.911 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.152 -3.350 -12.843 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.823 -5.700 -11.500 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.244 -4.073 -11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.549 -3.375 -10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.131 -5.000 -10.824 1.00 0.00 H new ATOM 178 N GLU A 15 -3.953 -2.630 -13.769 1.00 0.00 N ATOM 179 CA GLU A 15 -2.809 -2.165 -14.535 1.00 0.00 C ATOM 180 C GLU A 15 -1.730 -1.618 -13.599 1.00 0.00 C ATOM 181 O GLU A 15 -1.987 -1.382 -12.419 1.00 0.00 O ATOM 182 CB GLU A 15 -3.229 -1.113 -15.563 1.00 0.00 C ATOM 183 CG GLU A 15 -4.181 -0.089 -14.942 1.00 0.00 C ATOM 184 CD GLU A 15 -4.636 0.938 -15.981 1.00 0.00 C ATOM 185 OE1 GLU A 15 -5.392 0.530 -16.889 1.00 0.00 O ATOM 186 OE2 GLU A 15 -4.216 2.107 -15.844 1.00 0.00 O ATOM 0 H GLU A 15 -4.437 -1.903 -13.242 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.393 -3.012 -15.080 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.346 -0.605 -15.951 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.714 -1.600 -16.409 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.049 -0.600 -14.526 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.685 0.420 -14.116 1.00 0.00 H new ATOM 193 N GLU A 16 -0.544 -1.431 -14.160 1.00 0.00 N ATOM 194 CA GLU A 16 0.575 -0.915 -13.390 1.00 0.00 C ATOM 195 C GLU A 16 0.520 0.613 -13.332 1.00 0.00 C ATOM 196 O GLU A 16 0.213 1.265 -14.329 1.00 0.00 O ATOM 197 CB GLU A 16 1.907 -1.394 -13.971 1.00 0.00 C ATOM 198 CG GLU A 16 2.253 -2.796 -13.467 1.00 0.00 C ATOM 199 CD GLU A 16 2.427 -3.771 -14.633 1.00 0.00 C ATOM 200 OE1 GLU A 16 1.386 -4.202 -15.174 1.00 0.00 O ATOM 201 OE2 GLU A 16 3.598 -4.064 -14.957 1.00 0.00 O ATOM 0 H GLU A 16 -0.334 -1.628 -15.139 1.00 0.00 H new ATOM 0 HA GLU A 16 0.500 -1.300 -12.373 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.852 -1.398 -15.060 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.699 -0.699 -13.694 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.170 -2.759 -12.880 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.464 -3.153 -12.805 1.00 0.00 H new ATOM 208 N LEU A 17 0.823 1.140 -12.155 1.00 0.00 N ATOM 209 CA LEU A 17 0.812 2.579 -11.953 1.00 0.00 C ATOM 210 C LEU A 17 2.038 2.984 -11.133 1.00 0.00 C ATOM 211 O LEU A 17 2.552 2.192 -10.345 1.00 0.00 O ATOM 212 CB LEU A 17 -0.515 3.023 -11.335 1.00 0.00 C ATOM 213 CG LEU A 17 -1.732 2.154 -11.662 1.00 0.00 C ATOM 214 CD1 LEU A 17 -2.808 2.290 -10.584 1.00 0.00 C ATOM 215 CD2 LEU A 17 -2.274 2.473 -13.057 1.00 0.00 C ATOM 0 H LEU A 17 1.078 0.596 -11.331 1.00 0.00 H new ATOM 0 HA LEU A 17 0.882 3.098 -12.909 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.396 3.054 -10.252 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.722 4.042 -11.662 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.415 1.111 -11.670 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.662 1.663 -10.841 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.402 1.975 -9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.129 3.330 -10.519 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.138 1.842 -13.265 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.571 3.521 -13.101 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.500 2.284 -13.800 1.00 0.00 H new ATOM 227 N THR A 18 2.472 4.217 -11.348 1.00 0.00 N ATOM 228 CA THR A 18 3.629 4.738 -10.638 1.00 0.00 C ATOM 229 C THR A 18 3.329 6.129 -10.077 1.00 0.00 C ATOM 230 O THR A 18 3.117 7.075 -10.834 1.00 0.00 O ATOM 231 CB THR A 18 4.822 4.713 -11.596 1.00 0.00 C ATOM 232 OG1 THR A 18 4.688 3.472 -12.285 1.00 0.00 O ATOM 233 CG2 THR A 18 6.159 4.589 -10.863 1.00 0.00 C ATOM 0 H THR A 18 2.044 4.871 -12.003 1.00 0.00 H new ATOM 0 HA THR A 18 3.874 4.120 -9.774 1.00 0.00 H new ATOM 0 HB THR A 18 4.822 5.621 -12.200 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.421 3.374 -12.928 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.972 4.576 -11.589 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.286 5.438 -10.191 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.173 3.665 -10.286 1.00 0.00 H new ATOM 241 N LEU A 19 3.322 6.210 -8.755 1.00 0.00 N ATOM 242 CA LEU A 19 3.051 7.470 -8.084 1.00 0.00 C ATOM 243 C LEU A 19 4.368 8.073 -7.591 1.00 0.00 C ATOM 244 O LEU A 19 5.368 7.368 -7.460 1.00 0.00 O ATOM 245 CB LEU A 19 2.012 7.275 -6.977 1.00 0.00 C ATOM 246 CG LEU A 19 0.548 7.316 -7.418 1.00 0.00 C ATOM 247 CD1 LEU A 19 0.339 8.344 -8.531 1.00 0.00 C ATOM 248 CD2 LEU A 19 0.058 5.925 -7.823 1.00 0.00 C ATOM 0 H LEU A 19 3.500 5.424 -8.130 1.00 0.00 H new ATOM 0 HA LEU A 19 2.612 8.185 -8.779 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.199 6.315 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.165 8.046 -6.222 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.056 7.635 -6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.710 8.353 -8.826 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.623 9.333 -8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.955 8.080 -9.390 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.986 5.983 -8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.662 5.553 -8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.148 5.246 -6.975 1.00 0.00 H new ATOM 260 N THR A 20 4.327 9.372 -7.333 1.00 0.00 N ATOM 261 CA THR A 20 5.505 10.078 -6.858 1.00 0.00 C ATOM 262 C THR A 20 5.169 10.895 -5.609 1.00 0.00 C ATOM 263 O THR A 20 4.454 11.893 -5.688 1.00 0.00 O ATOM 264 CB THR A 20 6.044 10.926 -8.011 1.00 0.00 C ATOM 265 OG1 THR A 20 6.058 10.033 -9.122 1.00 0.00 O ATOM 266 CG2 THR A 20 7.514 11.306 -7.821 1.00 0.00 C ATOM 0 H THR A 20 3.497 9.954 -7.444 1.00 0.00 H new ATOM 0 HA THR A 20 6.287 9.383 -6.553 1.00 0.00 H new ATOM 0 HB THR A 20 5.444 11.831 -8.107 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.393 10.502 -9.915 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.847 11.907 -8.667 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.625 11.881 -6.901 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.119 10.401 -7.759 1.00 0.00 H new ATOM 274 N ILE A 21 5.701 10.441 -4.483 1.00 0.00 N ATOM 275 CA ILE A 21 5.467 11.117 -3.219 1.00 0.00 C ATOM 276 C ILE A 21 6.667 12.008 -2.892 1.00 0.00 C ATOM 277 O ILE A 21 7.776 11.759 -3.363 1.00 0.00 O ATOM 278 CB ILE A 21 5.137 10.103 -2.122 1.00 0.00 C ATOM 279 CG1 ILE A 21 3.965 9.211 -2.535 1.00 0.00 C ATOM 280 CG2 ILE A 21 4.880 10.804 -0.786 1.00 0.00 C ATOM 281 CD1 ILE A 21 4.198 7.763 -2.099 1.00 0.00 C ATOM 0 H ILE A 21 6.293 9.613 -4.420 1.00 0.00 H new ATOM 0 HA ILE A 21 4.596 11.768 -3.291 1.00 0.00 H new ATOM 0 HB ILE A 21 6.003 9.455 -1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.044 9.585 -2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.835 9.253 -3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.648 10.060 -0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.769 11.361 -0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.040 11.491 -0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.350 7.150 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.107 7.384 -2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.303 7.722 -1.015 1.00 0.00 H new ATOM 293 N LEU A 22 6.405 13.028 -2.087 1.00 0.00 N ATOM 294 CA LEU A 22 7.450 13.957 -1.692 1.00 0.00 C ATOM 295 C LEU A 22 7.681 13.846 -0.184 1.00 0.00 C ATOM 296 O LEU A 22 6.732 13.692 0.584 1.00 0.00 O ATOM 297 CB LEU A 22 7.112 15.374 -2.159 1.00 0.00 C ATOM 298 CG LEU A 22 7.779 15.829 -3.459 1.00 0.00 C ATOM 299 CD1 LEU A 22 7.560 17.324 -3.694 1.00 0.00 C ATOM 300 CD2 LEU A 22 9.263 15.457 -3.473 1.00 0.00 C ATOM 0 H LEU A 22 5.484 13.231 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 22 8.391 13.701 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.032 15.446 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.389 16.071 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 22 7.307 15.301 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.044 17.621 -4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.492 17.529 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.988 17.889 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.713 15.792 -4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.767 15.938 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.368 14.376 -3.387 1.00 0.00 H new ATOM 312 N ARG A 23 8.948 13.927 0.196 1.00 0.00 N ATOM 313 CA ARG A 23 9.316 13.837 1.599 1.00 0.00 C ATOM 314 C ARG A 23 9.429 15.236 2.208 1.00 0.00 C ATOM 315 O ARG A 23 9.745 16.198 1.510 1.00 0.00 O ATOM 316 CB ARG A 23 10.647 13.103 1.773 1.00 0.00 C ATOM 317 CG ARG A 23 10.658 12.288 3.068 1.00 0.00 C ATOM 318 CD ARG A 23 11.872 11.358 3.119 1.00 0.00 C ATOM 319 NE ARG A 23 12.468 11.378 4.474 1.00 0.00 N ATOM 320 CZ ARG A 23 13.373 10.491 4.910 1.00 0.00 C ATOM 321 NH1 ARG A 23 13.792 9.508 4.101 1.00 0.00 N ATOM 322 NH2 ARG A 23 13.859 10.586 6.155 1.00 0.00 N ATOM 0 H ARG A 23 9.733 14.054 -0.443 1.00 0.00 H new ATOM 0 HA ARG A 23 8.535 13.276 2.112 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.816 12.443 0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.465 13.823 1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.674 12.961 3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.742 11.701 3.141 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.574 10.342 2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.612 11.671 2.383 1.00 0.00 H new ATOM 0 HE ARG A 23 12.171 12.113 5.116 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.422 9.435 3.153 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.481 8.833 4.433 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.540 11.334 6.771 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.548 9.911 6.487 1.00 0.00 H new ATOM 381 N LEU A 28 5.947 9.845 3.655 1.00 0.00 N ATOM 382 CA LEU A 28 4.722 9.297 3.098 1.00 0.00 C ATOM 383 C LEU A 28 3.699 9.105 4.218 1.00 0.00 C ATOM 384 O LEU A 28 4.035 9.215 5.396 1.00 0.00 O ATOM 385 CB LEU A 28 5.017 8.019 2.309 1.00 0.00 C ATOM 386 CG LEU A 28 6.433 7.892 1.743 1.00 0.00 C ATOM 387 CD1 LEU A 28 6.941 9.240 1.228 1.00 0.00 C ATOM 388 CD2 LEU A 28 7.382 7.278 2.774 1.00 0.00 C ATOM 0 HA LEU A 28 4.285 9.993 2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.828 7.164 2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.309 7.955 1.482 1.00 0.00 H new ATOM 0 HG LEU A 28 6.400 7.214 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.949 9.121 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.281 9.600 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.955 9.960 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.382 7.199 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.415 7.912 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.026 6.286 3.051 1.00 0.00 H new ATOM 400 N GLY A 29 2.470 8.823 3.811 1.00 0.00 N ATOM 401 CA GLY A 29 1.395 8.615 4.767 1.00 0.00 C ATOM 402 C GLY A 29 0.447 7.510 4.294 1.00 0.00 C ATOM 403 O GLY A 29 -0.701 7.780 3.945 1.00 0.00 O ATOM 0 H GLY A 29 2.195 8.734 2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.813 8.349 5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.839 9.543 4.902 1.00 0.00 H new ATOM 407 N ILE A 30 0.963 6.290 4.297 1.00 0.00 N ATOM 408 CA ILE A 30 0.177 5.144 3.873 1.00 0.00 C ATOM 409 C ILE A 30 0.551 3.930 4.726 1.00 0.00 C ATOM 410 O ILE A 30 1.660 3.857 5.254 1.00 0.00 O ATOM 411 CB ILE A 30 0.338 4.911 2.369 1.00 0.00 C ATOM 412 CG1 ILE A 30 1.816 4.857 1.977 1.00 0.00 C ATOM 413 CG2 ILE A 30 -0.430 5.964 1.566 1.00 0.00 C ATOM 414 CD1 ILE A 30 1.996 4.202 0.607 1.00 0.00 C ATOM 0 H ILE A 30 1.916 6.070 4.586 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.885 5.331 4.032 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.095 3.941 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.228 5.866 1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.375 4.298 2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.299 5.776 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.490 5.911 1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.049 6.956 1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.056 4.176 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.605 3.185 0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.456 4.777 -0.145 1.00 0.00 H new ATOM 426 N SER A 31 -0.395 3.009 4.834 1.00 0.00 N ATOM 427 CA SER A 31 -0.178 1.802 5.614 1.00 0.00 C ATOM 428 C SER A 31 -0.214 0.576 4.701 1.00 0.00 C ATOM 429 O SER A 31 -0.989 0.529 3.747 1.00 0.00 O ATOM 430 CB SER A 31 -1.224 1.669 6.724 1.00 0.00 C ATOM 431 OG SER A 31 -0.712 2.071 7.991 1.00 0.00 O ATOM 0 H SER A 31 -1.313 3.074 4.395 1.00 0.00 H new ATOM 0 HA SER A 31 0.804 1.869 6.083 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.095 2.276 6.476 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.562 0.634 6.781 1.00 0.00 H new ATOM 0 HG SER A 31 -1.410 1.973 8.672 1.00 0.00 H new ATOM 437 N ILE A 32 0.635 -0.389 5.025 1.00 0.00 N ATOM 438 CA ILE A 32 0.711 -1.613 4.246 1.00 0.00 C ATOM 439 C ILE A 32 0.175 -2.777 5.081 1.00 0.00 C ATOM 440 O ILE A 32 0.026 -2.658 6.296 1.00 0.00 O ATOM 441 CB ILE A 32 2.134 -1.831 3.728 1.00 0.00 C ATOM 442 CG1 ILE A 32 3.118 -2.011 4.886 1.00 0.00 C ATOM 443 CG2 ILE A 32 2.555 -0.699 2.789 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.412 -2.672 4.409 1.00 0.00 C ATOM 0 H ILE A 32 1.276 -0.347 5.817 1.00 0.00 H new ATOM 0 HA ILE A 32 0.082 -1.540 3.359 1.00 0.00 H new ATOM 0 HB ILE A 32 2.148 -2.753 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.343 -1.042 5.330 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.660 -2.620 5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.570 -0.878 2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.875 -0.661 1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.520 0.250 3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.093 -2.788 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.186 -3.651 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.880 -2.048 3.647 1.00 0.00 H new ATOM 456 N ALA A 33 -0.100 -3.877 4.396 1.00 0.00 N ATOM 457 CA ALA A 33 -0.617 -5.063 5.059 1.00 0.00 C ATOM 458 C ALA A 33 -0.453 -6.271 4.134 1.00 0.00 C ATOM 459 O ALA A 33 -1.096 -6.348 3.088 1.00 0.00 O ATOM 460 CB ALA A 33 -2.074 -4.829 5.461 1.00 0.00 C ATOM 0 H ALA A 33 0.025 -3.972 3.388 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.057 -5.268 5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.462 -5.718 5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.132 -3.979 6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.668 -4.623 4.571 1.00 0.00 H new ATOM 466 N GLY A 34 0.410 -7.184 4.554 1.00 0.00 N ATOM 467 CA GLY A 34 0.666 -8.385 3.776 1.00 0.00 C ATOM 468 C GLY A 34 2.135 -8.801 3.877 1.00 0.00 C ATOM 469 O GLY A 34 2.764 -8.623 4.919 1.00 0.00 O ATOM 0 H GLY A 34 0.941 -7.117 5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.030 -9.195 4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.405 -8.209 2.732 1.00 0.00 H new ATOM 473 N GLY A 35 2.639 -9.346 2.780 1.00 0.00 N ATOM 474 CA GLY A 35 4.022 -9.789 2.732 1.00 0.00 C ATOM 475 C GLY A 35 4.110 -11.316 2.746 1.00 0.00 C ATOM 476 O GLY A 35 3.106 -11.997 2.947 1.00 0.00 O ATOM 0 H GLY A 35 2.114 -9.491 1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.500 -9.402 1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.568 -9.382 3.583 1.00 0.00 H new ATOM 480 N LYS A 36 5.320 -11.809 2.529 1.00 0.00 N ATOM 481 CA LYS A 36 5.552 -13.244 2.514 1.00 0.00 C ATOM 482 C LYS A 36 5.144 -13.836 3.864 1.00 0.00 C ATOM 483 O LYS A 36 5.575 -13.357 4.912 1.00 0.00 O ATOM 484 CB LYS A 36 6.999 -13.548 2.121 1.00 0.00 C ATOM 485 CG LYS A 36 7.297 -15.044 2.243 1.00 0.00 C ATOM 486 CD LYS A 36 8.740 -15.351 1.836 1.00 0.00 C ATOM 487 CE LYS A 36 8.905 -15.290 0.316 1.00 0.00 C ATOM 488 NZ LYS A 36 8.678 -16.624 -0.283 1.00 0.00 N ATOM 0 H LYS A 36 6.151 -11.241 2.362 1.00 0.00 H new ATOM 0 HA LYS A 36 4.933 -13.723 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.178 -13.220 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.679 -12.985 2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.128 -15.370 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.610 -15.608 1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.415 -14.637 2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.021 -16.341 2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.201 -14.572 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.906 -14.938 0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.794 -16.565 -1.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.366 -17.300 0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.714 -16.945 -0.060 1.00 0.00 H new ATOM 502 N GLY A 37 4.317 -14.869 3.795 1.00 0.00 N ATOM 503 CA GLY A 37 3.846 -15.532 4.999 1.00 0.00 C ATOM 504 C GLY A 37 2.728 -14.727 5.666 1.00 0.00 C ATOM 505 O GLY A 37 1.650 -15.257 5.930 1.00 0.00 O ATOM 0 H GLY A 37 3.961 -15.263 2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.483 -16.529 4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.674 -15.659 5.697 1.00 0.00 H new ATOM 509 N SER A 38 3.024 -13.461 5.920 1.00 0.00 N ATOM 510 CA SER A 38 2.058 -12.578 6.551 1.00 0.00 C ATOM 511 C SER A 38 0.681 -12.769 5.913 1.00 0.00 C ATOM 512 O SER A 38 0.578 -13.202 4.766 1.00 0.00 O ATOM 513 CB SER A 38 2.495 -11.116 6.444 1.00 0.00 C ATOM 514 OG SER A 38 2.108 -10.358 7.587 1.00 0.00 O ATOM 0 H SER A 38 3.920 -13.025 5.700 1.00 0.00 H new ATOM 0 HA SER A 38 2.000 -12.834 7.609 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.578 -11.069 6.327 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.058 -10.672 5.550 1.00 0.00 H new ATOM 0 HG SER A 38 2.407 -9.431 7.481 1.00 0.00 H new ATOM 520 N THR A 39 -0.345 -12.434 6.683 1.00 0.00 N ATOM 521 CA THR A 39 -1.711 -12.563 6.207 1.00 0.00 C ATOM 522 C THR A 39 -1.971 -11.583 5.061 1.00 0.00 C ATOM 523 O THR A 39 -1.515 -10.441 5.100 1.00 0.00 O ATOM 524 CB THR A 39 -2.648 -12.365 7.400 1.00 0.00 C ATOM 525 OG1 THR A 39 -2.635 -13.625 8.065 1.00 0.00 O ATOM 526 CG2 THR A 39 -4.107 -12.183 6.975 1.00 0.00 C ATOM 0 H THR A 39 -0.257 -12.074 7.633 1.00 0.00 H new ATOM 0 HA THR A 39 -1.894 -13.555 5.793 1.00 0.00 H new ATOM 0 HB THR A 39 -2.326 -11.496 7.974 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.216 -13.585 8.853 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.729 -12.046 7.859 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.192 -11.307 6.333 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.440 -13.066 6.430 1.00 0.00 H new ATOM 534 N PRO A 40 -2.722 -12.078 4.041 1.00 0.00 N ATOM 535 CA PRO A 40 -3.049 -11.258 2.886 1.00 0.00 C ATOM 536 C PRO A 40 -4.129 -10.231 3.230 1.00 0.00 C ATOM 537 O PRO A 40 -4.903 -10.428 4.165 1.00 0.00 O ATOM 538 CB PRO A 40 -3.486 -12.244 1.815 1.00 0.00 C ATOM 539 CG PRO A 40 -3.833 -13.530 2.548 1.00 0.00 C ATOM 540 CD PRO A 40 -3.279 -13.425 3.960 1.00 0.00 C ATOM 0 HA PRO A 40 -2.204 -10.663 2.540 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.346 -11.865 1.263 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.690 -12.411 1.090 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.913 -13.677 2.571 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.406 -14.390 2.033 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.061 -13.575 4.704 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.515 -14.181 4.143 1.00 0.00 H new ATOM 548 N TYR A 41 -4.148 -9.157 2.454 1.00 0.00 N ATOM 549 CA TYR A 41 -5.121 -8.099 2.665 1.00 0.00 C ATOM 550 C TYR A 41 -6.362 -8.315 1.798 1.00 0.00 C ATOM 551 O TYR A 41 -7.466 -7.931 2.181 1.00 0.00 O ATOM 552 CB TYR A 41 -4.433 -6.802 2.235 1.00 0.00 C ATOM 553 CG TYR A 41 -5.384 -5.614 2.081 1.00 0.00 C ATOM 554 CD1 TYR A 41 -6.133 -5.474 0.930 1.00 0.00 C ATOM 555 CD2 TYR A 41 -5.494 -4.682 3.093 1.00 0.00 C ATOM 556 CE1 TYR A 41 -7.029 -4.356 0.785 1.00 0.00 C ATOM 557 CE2 TYR A 41 -6.390 -3.563 2.948 1.00 0.00 C ATOM 558 CZ TYR A 41 -7.113 -3.456 1.801 1.00 0.00 C ATOM 559 OH TYR A 41 -7.959 -2.400 1.664 1.00 0.00 O ATOM 0 H TYR A 41 -3.505 -8.997 1.678 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.444 -8.076 3.706 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.668 -6.549 2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.923 -6.971 1.287 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.047 -6.203 0.138 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.908 -4.791 3.994 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.621 -4.235 -0.110 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.485 -2.826 3.732 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.916 -1.840 2.467 1.00 0.00 H new ATOM 569 N LYS A 42 -6.140 -8.929 0.645 1.00 0.00 N ATOM 570 CA LYS A 42 -7.227 -9.200 -0.280 1.00 0.00 C ATOM 571 C LYS A 42 -7.638 -10.669 -0.160 1.00 0.00 C ATOM 572 O LYS A 42 -8.552 -11.002 0.593 1.00 0.00 O ATOM 573 CB LYS A 42 -6.839 -8.784 -1.701 1.00 0.00 C ATOM 574 CG LYS A 42 -7.607 -7.534 -2.135 1.00 0.00 C ATOM 575 CD LYS A 42 -6.762 -6.671 -3.074 1.00 0.00 C ATOM 576 CE LYS A 42 -7.646 -5.746 -3.913 1.00 0.00 C ATOM 577 NZ LYS A 42 -7.179 -4.346 -3.807 1.00 0.00 N ATOM 0 H LYS A 42 -5.223 -9.247 0.330 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.102 -8.601 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.767 -8.591 -1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.046 -9.601 -2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.530 -7.825 -2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.890 -6.953 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.057 -6.077 -2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.173 -7.311 -3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.628 -6.063 -4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.680 -5.817 -3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.652 -3.767 -4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.406 -3.975 -2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.150 -4.311 -3.954 1.00 0.00 H new ATOM 591 N GLY A 43 -6.943 -11.508 -0.914 1.00 0.00 N ATOM 592 CA GLY A 43 -7.224 -12.934 -0.901 1.00 0.00 C ATOM 593 C GLY A 43 -5.929 -13.748 -0.882 1.00 0.00 C ATOM 594 O GLY A 43 -4.983 -13.400 -0.177 1.00 0.00 O ATOM 0 H GLY A 43 -6.186 -11.228 -1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.826 -13.182 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.812 -13.200 -1.779 1.00 0.00 H new ATOM 598 N ASP A 44 -5.927 -14.816 -1.666 1.00 0.00 N ATOM 599 CA ASP A 44 -4.764 -15.682 -1.748 1.00 0.00 C ATOM 600 C ASP A 44 -3.669 -14.984 -2.558 1.00 0.00 C ATOM 601 O ASP A 44 -3.375 -15.383 -3.684 1.00 0.00 O ATOM 602 CB ASP A 44 -5.105 -16.998 -2.451 1.00 0.00 C ATOM 603 CG ASP A 44 -6.246 -17.794 -1.814 1.00 0.00 C ATOM 604 OD1 ASP A 44 -5.947 -18.559 -0.871 1.00 0.00 O ATOM 605 OD2 ASP A 44 -7.391 -17.620 -2.283 1.00 0.00 O ATOM 0 H ASP A 44 -6.713 -15.101 -2.250 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.428 -15.892 -0.732 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.367 -16.782 -3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.213 -17.624 -2.471 1.00 0.00 H new ATOM 610 N ASP A 45 -3.097 -13.954 -1.954 1.00 0.00 N ATOM 611 CA ASP A 45 -2.042 -13.196 -2.605 1.00 0.00 C ATOM 612 C ASP A 45 -1.073 -12.665 -1.547 1.00 0.00 C ATOM 613 O ASP A 45 -1.421 -11.774 -0.773 1.00 0.00 O ATOM 614 CB ASP A 45 -2.613 -11.998 -3.367 1.00 0.00 C ATOM 615 CG ASP A 45 -2.860 -12.238 -4.858 1.00 0.00 C ATOM 616 OD1 ASP A 45 -3.611 -13.190 -5.163 1.00 0.00 O ATOM 617 OD2 ASP A 45 -2.292 -11.464 -5.659 1.00 0.00 O ATOM 0 H ASP A 45 -3.344 -13.626 -1.020 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.534 -13.859 -3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.554 -11.705 -2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.928 -11.157 -3.258 1.00 0.00 H new ATOM 622 N GLU A 46 0.123 -13.234 -1.546 1.00 0.00 N ATOM 623 CA GLU A 46 1.144 -12.829 -0.595 1.00 0.00 C ATOM 624 C GLU A 46 1.846 -11.559 -1.078 1.00 0.00 C ATOM 625 O GLU A 46 3.070 -11.527 -1.194 1.00 0.00 O ATOM 626 CB GLU A 46 2.152 -13.956 -0.359 1.00 0.00 C ATOM 627 CG GLU A 46 2.802 -14.395 -1.673 1.00 0.00 C ATOM 628 CD GLU A 46 4.095 -15.170 -1.413 1.00 0.00 C ATOM 629 OE1 GLU A 46 3.981 -16.327 -0.953 1.00 0.00 O ATOM 630 OE2 GLU A 46 5.169 -14.588 -1.680 1.00 0.00 O ATOM 0 H GLU A 46 0.408 -13.973 -2.189 1.00 0.00 H new ATOM 0 HA GLU A 46 0.660 -12.613 0.357 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.921 -13.621 0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.651 -14.806 0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.107 -15.018 -2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.015 -13.520 -2.287 1.00 0.00 H new ATOM 637 N GLY A 47 1.040 -10.542 -1.349 1.00 0.00 N ATOM 638 CA GLY A 47 1.568 -9.272 -1.817 1.00 0.00 C ATOM 639 C GLY A 47 1.305 -8.160 -0.801 1.00 0.00 C ATOM 640 O GLY A 47 0.490 -8.324 0.106 1.00 0.00 O ATOM 0 H GLY A 47 0.025 -10.572 -1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.640 -9.363 -1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.109 -9.013 -2.771 1.00 0.00 H new ATOM 644 N ILE A 48 2.009 -7.053 -0.986 1.00 0.00 N ATOM 645 CA ILE A 48 1.861 -5.914 -0.096 1.00 0.00 C ATOM 646 C ILE A 48 0.812 -4.958 -0.668 1.00 0.00 C ATOM 647 O ILE A 48 0.993 -4.410 -1.755 1.00 0.00 O ATOM 648 CB ILE A 48 3.218 -5.256 0.161 1.00 0.00 C ATOM 649 CG1 ILE A 48 4.160 -6.209 0.898 1.00 0.00 C ATOM 650 CG2 ILE A 48 3.051 -3.927 0.902 1.00 0.00 C ATOM 651 CD1 ILE A 48 3.824 -6.267 2.390 1.00 0.00 C ATOM 0 H ILE A 48 2.684 -6.921 -1.739 1.00 0.00 H new ATOM 0 HA ILE A 48 1.499 -6.237 0.880 1.00 0.00 H new ATOM 0 HB ILE A 48 3.677 -5.033 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.085 -7.207 0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.191 -5.881 0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.030 -3.480 1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.442 -3.250 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.561 -4.103 1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.509 -6.952 2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.923 -5.272 2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.800 -6.619 2.519 1.00 0.00 H new ATOM 663 N PHE A 49 -0.262 -4.788 0.089 1.00 0.00 N ATOM 664 CA PHE A 49 -1.340 -3.908 -0.329 1.00 0.00 C ATOM 665 C PHE A 49 -1.542 -2.772 0.676 1.00 0.00 C ATOM 666 O PHE A 49 -1.251 -2.928 1.861 1.00 0.00 O ATOM 667 CB PHE A 49 -2.612 -4.755 -0.385 1.00 0.00 C ATOM 668 CG PHE A 49 -2.655 -5.736 -1.559 1.00 0.00 C ATOM 669 CD1 PHE A 49 -1.887 -6.858 -1.536 1.00 0.00 C ATOM 670 CD2 PHE A 49 -3.463 -5.486 -2.625 1.00 0.00 C ATOM 671 CE1 PHE A 49 -1.926 -7.768 -2.625 1.00 0.00 C ATOM 672 CE2 PHE A 49 -3.502 -6.397 -3.714 1.00 0.00 C ATOM 673 CZ PHE A 49 -2.734 -7.518 -3.691 1.00 0.00 C ATOM 0 H PHE A 49 -0.409 -5.245 0.989 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.104 -3.464 -1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.705 -5.314 0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.475 -4.092 -0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.247 -7.057 -0.689 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.074 -4.596 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.315 -8.658 -2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.142 -6.199 -4.561 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.765 -8.211 -4.519 1.00 0.00 H new ATOM 683 N ILE A 50 -2.038 -1.655 0.166 1.00 0.00 N ATOM 684 CA ILE A 50 -2.282 -0.493 1.005 1.00 0.00 C ATOM 685 C ILE A 50 -3.447 -0.789 1.952 1.00 0.00 C ATOM 686 O ILE A 50 -4.506 -1.238 1.517 1.00 0.00 O ATOM 687 CB ILE A 50 -2.491 0.754 0.144 1.00 0.00 C ATOM 688 CG1 ILE A 50 -1.230 1.086 -0.656 1.00 0.00 C ATOM 689 CG2 ILE A 50 -2.956 1.937 0.996 1.00 0.00 C ATOM 690 CD1 ILE A 50 -0.004 1.156 0.256 1.00 0.00 C ATOM 0 H ILE A 50 -2.278 -1.529 -0.817 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.412 -0.281 1.626 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.283 0.543 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.073 0.329 -1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.361 2.039 -1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.097 2.811 0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.899 1.687 1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.204 2.158 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.878 1.393 -0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.154 1.930 1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.138 0.194 0.749 1.00 0.00 H new ATOM 702 N SER A 51 -3.211 -0.525 3.228 1.00 0.00 N ATOM 703 CA SER A 51 -4.227 -0.757 4.241 1.00 0.00 C ATOM 704 C SER A 51 -4.958 0.549 4.558 1.00 0.00 C ATOM 705 O SER A 51 -6.130 0.534 4.931 1.00 0.00 O ATOM 706 CB SER A 51 -3.614 -1.345 5.513 1.00 0.00 C ATOM 707 OG SER A 51 -4.392 -1.045 6.669 1.00 0.00 O ATOM 0 H SER A 51 -2.331 -0.152 3.584 1.00 0.00 H new ATOM 0 HA SER A 51 -4.942 -1.480 3.848 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.525 -2.426 5.406 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.605 -0.954 5.644 1.00 0.00 H new ATOM 0 HG SER A 51 -3.968 -1.439 7.460 1.00 0.00 H new ATOM 713 N ARG A 52 -4.235 1.648 4.398 1.00 0.00 N ATOM 714 CA ARG A 52 -4.800 2.960 4.663 1.00 0.00 C ATOM 715 C ARG A 52 -4.012 4.038 3.915 1.00 0.00 C ATOM 716 O ARG A 52 -2.818 3.878 3.666 1.00 0.00 O ATOM 717 CB ARG A 52 -4.786 3.274 6.160 1.00 0.00 C ATOM 718 CG ARG A 52 -5.751 4.414 6.490 1.00 0.00 C ATOM 719 CD ARG A 52 -7.204 3.938 6.431 1.00 0.00 C ATOM 720 NE ARG A 52 -7.720 3.714 7.800 1.00 0.00 N ATOM 721 CZ ARG A 52 -8.986 3.376 8.080 1.00 0.00 C ATOM 722 NH1 ARG A 52 -9.873 3.220 7.088 1.00 0.00 N ATOM 723 NH2 ARG A 52 -9.365 3.194 9.352 1.00 0.00 N ATOM 0 H ARG A 52 -3.263 1.657 4.088 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.833 2.953 4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.063 2.384 6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.777 3.546 6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.532 4.804 7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.605 5.234 5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.818 4.679 5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.270 3.016 5.853 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.071 3.824 8.579 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.585 3.359 6.119 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.837 2.963 7.301 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.690 3.313 10.107 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.329 2.937 9.565 1.00 0.00 H new ATOM 737 N VAL A 53 -4.712 5.112 3.579 1.00 0.00 N ATOM 738 CA VAL A 53 -4.092 6.216 2.866 1.00 0.00 C ATOM 739 C VAL A 53 -4.440 7.530 3.568 1.00 0.00 C ATOM 740 O VAL A 53 -5.613 7.841 3.765 1.00 0.00 O ATOM 741 CB VAL A 53 -4.517 6.192 1.396 1.00 0.00 C ATOM 742 CG1 VAL A 53 -4.367 7.576 0.760 1.00 0.00 C ATOM 743 CG2 VAL A 53 -3.727 5.141 0.614 1.00 0.00 C ATOM 0 H VAL A 53 -5.702 5.241 3.787 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.006 6.119 2.879 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.571 5.917 1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.675 7.532 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.993 8.291 1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.325 7.892 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.048 5.145 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.663 5.372 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.906 4.156 1.045 1.00 0.00 H new ATOM 753 N SER A 54 -3.398 8.266 3.925 1.00 0.00 N ATOM 754 CA SER A 54 -3.578 9.540 4.601 1.00 0.00 C ATOM 755 C SER A 54 -4.416 10.479 3.732 1.00 0.00 C ATOM 756 O SER A 54 -4.038 10.790 2.604 1.00 0.00 O ATOM 757 CB SER A 54 -2.230 10.184 4.931 1.00 0.00 C ATOM 758 OG SER A 54 -1.740 9.774 6.204 1.00 0.00 O ATOM 0 H SER A 54 -2.426 8.005 3.759 1.00 0.00 H new ATOM 0 HA SER A 54 -4.102 9.358 5.539 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.504 9.921 4.161 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.333 11.269 4.914 1.00 0.00 H new ATOM 0 HG SER A 54 -0.877 10.205 6.377 1.00 0.00 H new ATOM 764 N GLU A 55 -5.540 10.905 4.290 1.00 0.00 N ATOM 765 CA GLU A 55 -6.435 11.802 3.580 1.00 0.00 C ATOM 766 C GLU A 55 -5.749 13.146 3.327 1.00 0.00 C ATOM 767 O GLU A 55 -5.777 13.661 2.210 1.00 0.00 O ATOM 768 CB GLU A 55 -7.745 11.992 4.349 1.00 0.00 C ATOM 769 CG GLU A 55 -8.879 11.192 3.705 1.00 0.00 C ATOM 770 CD GLU A 55 -10.177 12.002 3.683 1.00 0.00 C ATOM 771 OE1 GLU A 55 -10.107 13.174 3.254 1.00 0.00 O ATOM 772 OE2 GLU A 55 -11.209 11.430 4.095 1.00 0.00 O ATOM 0 H GLU A 55 -5.851 10.645 5.226 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.679 11.353 2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.613 11.675 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.008 13.050 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.602 10.915 2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.034 10.265 4.257 1.00 0.00 H new ATOM 779 N GLU A 56 -5.149 13.676 4.383 1.00 0.00 N ATOM 780 CA GLU A 56 -4.456 14.950 4.289 1.00 0.00 C ATOM 781 C GLU A 56 -2.942 14.735 4.329 1.00 0.00 C ATOM 782 O GLU A 56 -2.217 15.518 4.942 1.00 0.00 O ATOM 783 CB GLU A 56 -4.905 15.901 5.400 1.00 0.00 C ATOM 784 CG GLU A 56 -5.163 15.141 6.702 1.00 0.00 C ATOM 785 CD GLU A 56 -5.246 16.100 7.891 1.00 0.00 C ATOM 786 OE1 GLU A 56 -4.167 16.434 8.427 1.00 0.00 O ATOM 787 OE2 GLU A 56 -6.386 16.479 8.236 1.00 0.00 O ATOM 0 H GLU A 56 -5.128 13.246 5.308 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.712 15.412 3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.141 16.661 5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.812 16.422 5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.092 14.577 6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.365 14.418 6.869 1.00 0.00 H new ATOM 794 N GLY A 57 -2.509 13.671 3.669 1.00 0.00 N ATOM 795 CA GLY A 57 -1.094 13.344 3.622 1.00 0.00 C ATOM 796 C GLY A 57 -0.521 13.589 2.225 1.00 0.00 C ATOM 797 O GLY A 57 -1.237 14.020 1.323 1.00 0.00 O ATOM 0 H GLY A 57 -3.113 13.024 3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.553 13.947 4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.949 12.300 3.901 1.00 0.00 H new ATOM 801 N PRO A 58 0.800 13.295 2.086 1.00 0.00 N ATOM 802 CA PRO A 58 1.478 13.480 0.815 1.00 0.00 C ATOM 803 C PRO A 58 1.093 12.378 -0.176 1.00 0.00 C ATOM 804 O PRO A 58 1.009 12.622 -1.379 1.00 0.00 O ATOM 805 CB PRO A 58 2.959 13.482 1.155 1.00 0.00 C ATOM 806 CG PRO A 58 3.072 12.837 2.527 1.00 0.00 C ATOM 807 CD PRO A 58 1.679 12.783 3.133 1.00 0.00 C ATOM 0 HA PRO A 58 1.196 14.409 0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.531 12.925 0.413 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.356 14.497 1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.491 11.834 2.444 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.744 13.412 3.165 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.409 11.765 3.415 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.616 13.391 4.036 1.00 0.00 H new ATOM 815 N ALA A 59 0.871 11.190 0.367 1.00 0.00 N ATOM 816 CA ALA A 59 0.497 10.051 -0.454 1.00 0.00 C ATOM 817 C ALA A 59 -0.744 10.405 -1.276 1.00 0.00 C ATOM 818 O ALA A 59 -0.700 10.406 -2.505 1.00 0.00 O ATOM 819 CB ALA A 59 0.277 8.829 0.439 1.00 0.00 C ATOM 0 H ALA A 59 0.943 10.992 1.365 1.00 0.00 H new ATOM 0 HA ALA A 59 1.295 9.804 -1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.004 7.974 -0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.197 8.602 0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.519 9.039 1.153 1.00 0.00 H new ATOM 825 N ALA A 60 -1.823 10.696 -0.564 1.00 0.00 N ATOM 826 CA ALA A 60 -3.074 11.051 -1.211 1.00 0.00 C ATOM 827 C ALA A 60 -2.784 11.954 -2.412 1.00 0.00 C ATOM 828 O ALA A 60 -3.328 11.747 -3.495 1.00 0.00 O ATOM 829 CB ALA A 60 -4.005 11.714 -0.195 1.00 0.00 C ATOM 0 H ALA A 60 -1.856 10.693 0.455 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.580 10.160 -1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.944 11.980 -0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.204 11.021 0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.532 12.614 0.199 1.00 0.00 H new ATOM 835 N ARG A 61 -1.926 12.937 -2.179 1.00 0.00 N ATOM 836 CA ARG A 61 -1.557 13.873 -3.228 1.00 0.00 C ATOM 837 C ARG A 61 -0.904 13.130 -4.395 1.00 0.00 C ATOM 838 O ARG A 61 -1.271 13.339 -5.551 1.00 0.00 O ATOM 839 CB ARG A 61 -0.590 14.935 -2.703 1.00 0.00 C ATOM 840 CG ARG A 61 -1.208 15.712 -1.538 1.00 0.00 C ATOM 841 CD ARG A 61 -0.640 17.131 -1.463 1.00 0.00 C ATOM 842 NE ARG A 61 -1.541 18.073 -2.164 1.00 0.00 N ATOM 843 CZ ARG A 61 -1.389 19.405 -2.154 1.00 0.00 C ATOM 844 NH1 ARG A 61 -0.372 19.958 -1.480 1.00 0.00 N ATOM 845 NH2 ARG A 61 -2.255 20.183 -2.818 1.00 0.00 N ATOM 0 H ARG A 61 -1.476 13.106 -1.279 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.468 14.365 -3.570 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.336 14.460 -2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.329 15.624 -3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.290 15.756 -1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.012 15.188 -0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.525 17.431 -0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.352 17.159 -1.914 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.326 17.685 -2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.287 19.366 -0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.256 20.971 -1.472 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.030 19.762 -3.331 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.140 21.196 -2.811 1.00 0.00 H new ATOM 859 N ALA A 62 0.052 12.279 -4.053 1.00 0.00 N ATOM 860 CA ALA A 62 0.759 11.505 -5.059 1.00 0.00 C ATOM 861 C ALA A 62 -0.255 10.835 -5.987 1.00 0.00 C ATOM 862 O ALA A 62 -0.053 10.782 -7.199 1.00 0.00 O ATOM 863 CB ALA A 62 1.678 10.493 -4.371 1.00 0.00 C ATOM 0 H ALA A 62 0.353 12.108 -3.094 1.00 0.00 H new ATOM 0 HA ALA A 62 1.387 12.153 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.209 9.912 -5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.398 11.021 -3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.082 9.824 -3.750 1.00 0.00 H new ATOM 869 N GLY A 63 -1.325 10.339 -5.383 1.00 0.00 N ATOM 870 CA GLY A 63 -2.372 9.674 -6.141 1.00 0.00 C ATOM 871 C GLY A 63 -2.491 8.203 -5.737 1.00 0.00 C ATOM 872 O GLY A 63 -2.863 7.361 -6.552 1.00 0.00 O ATOM 0 H GLY A 63 -1.490 10.384 -4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.323 10.179 -5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.156 9.746 -7.207 1.00 0.00 H new ATOM 876 N VAL A 64 -2.168 7.940 -4.479 1.00 0.00 N ATOM 877 CA VAL A 64 -2.234 6.586 -3.957 1.00 0.00 C ATOM 878 C VAL A 64 -3.694 6.222 -3.678 1.00 0.00 C ATOM 879 O VAL A 64 -4.527 7.102 -3.469 1.00 0.00 O ATOM 880 CB VAL A 64 -1.339 6.456 -2.723 1.00 0.00 C ATOM 881 CG1 VAL A 64 -1.944 7.195 -1.528 1.00 0.00 C ATOM 882 CG2 VAL A 64 -1.080 4.987 -2.385 1.00 0.00 C ATOM 0 H VAL A 64 -1.860 8.642 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.856 5.875 -4.692 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.380 6.920 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.289 7.087 -0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.053 8.252 -1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.922 6.773 -1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.441 4.923 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.028 4.488 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.586 4.502 -3.227 1.00 0.00 H new ATOM 892 N ARG A 65 -3.958 4.924 -3.684 1.00 0.00 N ATOM 893 CA ARG A 65 -5.303 4.433 -3.434 1.00 0.00 C ATOM 894 C ARG A 65 -5.254 3.149 -2.603 1.00 0.00 C ATOM 895 O ARG A 65 -4.467 2.249 -2.892 1.00 0.00 O ATOM 896 CB ARG A 65 -6.041 4.156 -4.745 1.00 0.00 C ATOM 897 CG ARG A 65 -6.263 5.449 -5.533 1.00 0.00 C ATOM 898 CD ARG A 65 -7.070 5.183 -6.806 1.00 0.00 C ATOM 899 NE ARG A 65 -7.103 6.400 -7.647 1.00 0.00 N ATOM 900 CZ ARG A 65 -7.929 7.435 -7.438 1.00 0.00 C ATOM 901 NH1 ARG A 65 -8.794 7.406 -6.415 1.00 0.00 N ATOM 902 NH2 ARG A 65 -7.890 8.498 -8.253 1.00 0.00 N ATOM 0 H ARG A 65 -3.264 4.197 -3.858 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.841 5.205 -2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.467 3.452 -5.348 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.001 3.685 -4.534 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.788 6.173 -4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.301 5.890 -5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.625 4.358 -7.363 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.085 4.882 -6.547 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.457 6.455 -8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.824 6.596 -5.795 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.422 8.194 -6.256 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.232 8.519 -9.032 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.518 9.286 -8.094 1.00 0.00 H new ATOM 916 N VAL A 66 -6.103 3.106 -1.588 1.00 0.00 N ATOM 917 CA VAL A 66 -6.166 1.948 -0.713 1.00 0.00 C ATOM 918 C VAL A 66 -6.444 0.697 -1.550 1.00 0.00 C ATOM 919 O VAL A 66 -7.303 0.713 -2.430 1.00 0.00 O ATOM 920 CB VAL A 66 -7.208 2.176 0.384 1.00 0.00 C ATOM 921 CG1 VAL A 66 -7.458 0.893 1.179 1.00 0.00 C ATOM 922 CG2 VAL A 66 -6.788 3.321 1.309 1.00 0.00 C ATOM 0 H VAL A 66 -6.754 3.855 -1.351 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.211 1.798 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.144 2.459 -0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.203 1.083 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.822 0.115 0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.528 0.566 1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.546 3.463 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.834 3.079 1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.685 4.238 0.729 1.00 0.00 H new ATOM 932 N GLY A 67 -5.700 -0.356 -1.246 1.00 0.00 N ATOM 933 CA GLY A 67 -5.855 -1.613 -1.959 1.00 0.00 C ATOM 934 C GLY A 67 -4.863 -1.711 -3.119 1.00 0.00 C ATOM 935 O GLY A 67 -4.933 -2.639 -3.924 1.00 0.00 O ATOM 0 H GLY A 67 -4.988 -0.365 -0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.701 -2.446 -1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.873 -1.697 -2.339 1.00 0.00 H new ATOM 939 N ASP A 68 -3.962 -0.741 -3.169 1.00 0.00 N ATOM 940 CA ASP A 68 -2.956 -0.706 -4.217 1.00 0.00 C ATOM 941 C ASP A 68 -1.901 -1.778 -3.941 1.00 0.00 C ATOM 942 O ASP A 68 -1.317 -1.815 -2.859 1.00 0.00 O ATOM 943 CB ASP A 68 -2.252 0.651 -4.260 1.00 0.00 C ATOM 944 CG ASP A 68 -2.778 1.619 -5.322 1.00 0.00 C ATOM 945 OD1 ASP A 68 -3.294 1.116 -6.343 1.00 0.00 O ATOM 946 OD2 ASP A 68 -2.653 2.841 -5.088 1.00 0.00 O ATOM 0 H ASP A 68 -3.908 0.027 -2.500 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.455 -0.883 -5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.345 1.123 -3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.189 0.486 -4.435 1.00 0.00 H new ATOM 951 N LYS A 69 -1.687 -2.625 -4.938 1.00 0.00 N ATOM 952 CA LYS A 69 -0.712 -3.695 -4.816 1.00 0.00 C ATOM 953 C LYS A 69 0.676 -3.156 -5.167 1.00 0.00 C ATOM 954 O LYS A 69 1.058 -3.127 -6.336 1.00 0.00 O ATOM 955 CB LYS A 69 -1.133 -4.902 -5.656 1.00 0.00 C ATOM 956 CG LYS A 69 0.005 -5.918 -5.765 1.00 0.00 C ATOM 957 CD LYS A 69 -0.396 -7.098 -6.652 1.00 0.00 C ATOM 958 CE LYS A 69 0.564 -8.275 -6.467 1.00 0.00 C ATOM 959 NZ LYS A 69 1.908 -7.934 -6.984 1.00 0.00 N ATOM 0 H LYS A 69 -2.173 -2.591 -5.834 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.665 -4.053 -3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.006 -5.375 -5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.427 -4.571 -6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.891 -5.434 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.271 -6.279 -4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.412 -7.411 -6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.399 -6.787 -7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.630 -8.536 -5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.179 -9.151 -6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.524 -8.770 -6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.831 -7.626 -7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.315 -7.166 -6.413 1.00 0.00 H new ATOM 973 N LEU A 70 1.394 -2.741 -4.133 1.00 0.00 N ATOM 974 CA LEU A 70 2.731 -2.205 -4.317 1.00 0.00 C ATOM 975 C LEU A 70 3.579 -3.216 -5.091 1.00 0.00 C ATOM 976 O LEU A 70 3.701 -4.370 -4.685 1.00 0.00 O ATOM 977 CB LEU A 70 3.336 -1.798 -2.971 1.00 0.00 C ATOM 978 CG LEU A 70 4.053 -0.447 -2.939 1.00 0.00 C ATOM 979 CD1 LEU A 70 5.040 -0.322 -4.101 1.00 0.00 C ATOM 980 CD2 LEU A 70 3.048 0.706 -2.914 1.00 0.00 C ATOM 0 H LEU A 70 1.074 -2.766 -3.165 1.00 0.00 H new ATOM 0 HA LEU A 70 2.697 -1.293 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.539 -1.782 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.043 -2.569 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 70 4.632 -0.390 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.536 0.648 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.785 -1.114 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.503 -0.410 -5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.584 1.655 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.423 0.663 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.420 0.622 -2.027 1.00 0.00 H new ATOM 992 N LEU A 71 4.144 -2.745 -6.194 1.00 0.00 N ATOM 993 CA LEU A 71 4.977 -3.593 -7.029 1.00 0.00 C ATOM 994 C LEU A 71 6.448 -3.242 -6.798 1.00 0.00 C ATOM 995 O LEU A 71 7.288 -4.130 -6.662 1.00 0.00 O ATOM 996 CB LEU A 71 4.544 -3.495 -8.493 1.00 0.00 C ATOM 997 CG LEU A 71 3.041 -3.604 -8.756 1.00 0.00 C ATOM 998 CD1 LEU A 71 2.713 -3.268 -10.213 1.00 0.00 C ATOM 999 CD2 LEU A 71 2.512 -4.982 -8.353 1.00 0.00 C ATOM 0 H LEU A 71 4.041 -1.787 -6.528 1.00 0.00 H new ATOM 0 HA LEU A 71 4.852 -4.640 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.895 -2.543 -8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.049 -4.281 -9.054 1.00 0.00 H new ATOM 0 HG LEU A 71 2.532 -2.869 -8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.638 -3.353 -10.373 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.033 -2.249 -10.432 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.234 -3.962 -10.873 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.441 -5.033 -8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.024 -5.752 -8.931 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.693 -5.145 -7.291 1.00 0.00 H new ATOM 1011 N GLU A 72 6.715 -1.944 -6.761 1.00 0.00 N ATOM 1012 CA GLU A 72 8.070 -1.465 -6.549 1.00 0.00 C ATOM 1013 C GLU A 72 8.058 -0.212 -5.670 1.00 0.00 C ATOM 1014 O GLU A 72 7.035 0.461 -5.556 1.00 0.00 O ATOM 1015 CB GLU A 72 8.770 -1.193 -7.882 1.00 0.00 C ATOM 1016 CG GLU A 72 9.649 -2.376 -8.291 1.00 0.00 C ATOM 1017 CD GLU A 72 9.957 -2.338 -9.790 1.00 0.00 C ATOM 1018 OE1 GLU A 72 8.982 -2.383 -10.571 1.00 0.00 O ATOM 1019 OE2 GLU A 72 11.160 -2.265 -10.120 1.00 0.00 O ATOM 0 H GLU A 72 6.016 -1.210 -6.874 1.00 0.00 H new ATOM 0 HA GLU A 72 8.633 -2.242 -6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.026 -1.004 -8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.380 -0.293 -7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.580 -2.355 -7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.146 -3.311 -8.043 1.00 0.00 H new ATOM 1026 N VAL A 73 9.208 0.062 -5.071 1.00 0.00 N ATOM 1027 CA VAL A 73 9.343 1.221 -4.206 1.00 0.00 C ATOM 1028 C VAL A 73 10.759 1.787 -4.335 1.00 0.00 C ATOM 1029 O VAL A 73 11.693 1.276 -3.720 1.00 0.00 O ATOM 1030 CB VAL A 73 8.978 0.847 -2.768 1.00 0.00 C ATOM 1031 CG1 VAL A 73 9.840 1.616 -1.765 1.00 0.00 C ATOM 1032 CG2 VAL A 73 7.489 1.078 -2.502 1.00 0.00 C ATOM 0 H VAL A 73 10.054 -0.499 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 73 8.650 2.006 -4.509 1.00 0.00 H new ATOM 0 HB VAL A 73 9.181 -0.216 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.560 1.331 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.891 1.379 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.684 2.687 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.256 0.804 -1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.250 2.130 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.898 0.465 -3.183 1.00 0.00 H new ATOM 1042 N ASN A 74 10.872 2.834 -5.139 1.00 0.00 N ATOM 1043 CA ASN A 74 12.158 3.474 -5.357 1.00 0.00 C ATOM 1044 C ASN A 74 13.001 2.609 -6.295 1.00 0.00 C ATOM 1045 O ASN A 74 14.198 2.843 -6.454 1.00 0.00 O ATOM 1046 CB ASN A 74 12.925 3.632 -4.042 1.00 0.00 C ATOM 1047 CG ASN A 74 13.354 5.085 -3.829 1.00 0.00 C ATOM 1048 OD1 ASN A 74 14.441 5.498 -4.199 1.00 0.00 O ATOM 1049 ND2 ASN A 74 12.444 5.834 -3.214 1.00 0.00 N ATOM 0 H ASN A 74 10.094 3.255 -5.647 1.00 0.00 H new ATOM 0 HA ASN A 74 11.976 4.458 -5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.299 3.308 -3.211 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.804 2.987 -4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.636 6.818 -3.025 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.554 5.425 -2.931 1.00 0.00 H new ATOM 1056 N GLY A 75 12.344 1.626 -6.893 1.00 0.00 N ATOM 1057 CA GLY A 75 13.018 0.724 -7.811 1.00 0.00 C ATOM 1058 C GLY A 75 13.076 -0.695 -7.242 1.00 0.00 C ATOM 1059 O GLY A 75 13.165 -1.666 -7.993 1.00 0.00 O ATOM 0 H GLY A 75 11.351 1.434 -6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.495 0.715 -8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.029 1.084 -8.004 1.00 0.00 H new ATOM 1063 N VAL A 76 13.022 -0.772 -5.921 1.00 0.00 N ATOM 1064 CA VAL A 76 13.067 -2.056 -5.243 1.00 0.00 C ATOM 1065 C VAL A 76 11.779 -2.828 -5.536 1.00 0.00 C ATOM 1066 O VAL A 76 10.689 -2.260 -5.498 1.00 0.00 O ATOM 1067 CB VAL A 76 13.313 -1.850 -3.747 1.00 0.00 C ATOM 1068 CG1 VAL A 76 12.091 -1.225 -3.071 1.00 0.00 C ATOM 1069 CG2 VAL A 76 13.702 -3.165 -3.068 1.00 0.00 C ATOM 0 H VAL A 76 12.947 0.035 -5.301 1.00 0.00 H new ATOM 0 HA VAL A 76 13.898 -2.655 -5.616 1.00 0.00 H new ATOM 0 HB VAL A 76 14.147 -1.157 -3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.293 -1.089 -2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.878 -0.258 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.230 -1.882 -3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.871 -2.990 -2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.898 -3.891 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.614 -3.553 -3.521 1.00 0.00 H new ATOM 1079 N ALA A 77 11.948 -4.111 -5.821 1.00 0.00 N ATOM 1080 CA ALA A 77 10.812 -4.966 -6.121 1.00 0.00 C ATOM 1081 C ALA A 77 10.201 -5.471 -4.812 1.00 0.00 C ATOM 1082 O ALA A 77 10.885 -6.097 -4.004 1.00 0.00 O ATOM 1083 CB ALA A 77 11.261 -6.109 -7.034 1.00 0.00 C ATOM 0 H ALA A 77 12.854 -4.579 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 77 10.041 -4.408 -6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.409 -6.751 -7.259 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.661 -5.698 -7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.033 -6.693 -6.533 1.00 0.00 H new ATOM 1089 N LEU A 78 8.919 -5.181 -4.644 1.00 0.00 N ATOM 1090 CA LEU A 78 8.208 -5.597 -3.448 1.00 0.00 C ATOM 1091 C LEU A 78 7.228 -6.717 -3.806 1.00 0.00 C ATOM 1092 O LEU A 78 6.219 -6.903 -3.129 1.00 0.00 O ATOM 1093 CB LEU A 78 7.547 -4.395 -2.771 1.00 0.00 C ATOM 1094 CG LEU A 78 8.495 -3.382 -2.128 1.00 0.00 C ATOM 1095 CD1 LEU A 78 7.731 -2.412 -1.224 1.00 0.00 C ATOM 1096 CD2 LEU A 78 9.628 -4.089 -1.381 1.00 0.00 C ATOM 0 H LEU A 78 8.354 -4.663 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 78 8.904 -6.004 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.940 -3.875 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.867 -4.764 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 78 8.952 -2.791 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.429 -1.703 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.991 -1.872 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.229 -2.970 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.288 -3.346 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.209 -4.721 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.196 -4.704 -2.079 1.00 0.00 H new ATOM 1108 N GLN A 79 7.561 -7.433 -4.870 1.00 0.00 N ATOM 1109 CA GLN A 79 6.724 -8.529 -5.327 1.00 0.00 C ATOM 1110 C GLN A 79 6.984 -9.781 -4.486 1.00 0.00 C ATOM 1111 O GLN A 79 7.938 -10.515 -4.739 1.00 0.00 O ATOM 1112 CB GLN A 79 6.950 -8.810 -6.813 1.00 0.00 C ATOM 1113 CG GLN A 79 5.664 -9.302 -7.480 1.00 0.00 C ATOM 1114 CD GLN A 79 5.871 -10.673 -8.127 1.00 0.00 C ATOM 1115 OE1 GLN A 79 6.954 -11.023 -8.566 1.00 0.00 O ATOM 1116 NE2 GLN A 79 4.776 -11.427 -8.160 1.00 0.00 N ATOM 0 H GLN A 79 8.400 -7.275 -5.429 1.00 0.00 H new ATOM 0 HA GLN A 79 5.681 -8.240 -5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.298 -7.904 -7.309 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.734 -9.558 -6.930 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.866 -9.362 -6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.344 -8.584 -8.235 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.901 -11.072 -7.774 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.811 -12.360 -8.571 1.00 0.00 H new ATOM 1125 N GLY A 80 6.118 -9.986 -3.505 1.00 0.00 N ATOM 1126 CA GLY A 80 6.242 -11.137 -2.626 1.00 0.00 C ATOM 1127 C GLY A 80 7.344 -10.918 -1.588 1.00 0.00 C ATOM 1128 O GLY A 80 8.060 -11.852 -1.230 1.00 0.00 O ATOM 0 H GLY A 80 5.328 -9.375 -3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.293 -11.318 -2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.464 -12.027 -3.215 1.00 0.00 H new ATOM 1132 N ALA A 81 7.445 -9.677 -1.133 1.00 0.00 N ATOM 1133 CA ALA A 81 8.448 -9.323 -0.142 1.00 0.00 C ATOM 1134 C ALA A 81 7.800 -9.286 1.243 1.00 0.00 C ATOM 1135 O ALA A 81 6.613 -8.988 1.369 1.00 0.00 O ATOM 1136 CB ALA A 81 9.091 -7.988 -0.521 1.00 0.00 C ATOM 0 H ALA A 81 6.849 -8.905 -1.432 1.00 0.00 H new ATOM 0 HA ALA A 81 9.241 -10.070 -0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.843 -7.722 0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.563 -8.076 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.326 -7.213 -0.556 1.00 0.00 H new ATOM 1142 N GLU A 82 8.607 -9.592 2.248 1.00 0.00 N ATOM 1143 CA GLU A 82 8.127 -9.597 3.619 1.00 0.00 C ATOM 1144 C GLU A 82 7.793 -8.174 4.070 1.00 0.00 C ATOM 1145 O GLU A 82 8.198 -7.205 3.429 1.00 0.00 O ATOM 1146 CB GLU A 82 9.149 -10.243 4.556 1.00 0.00 C ATOM 1147 CG GLU A 82 9.431 -11.690 4.146 1.00 0.00 C ATOM 1148 CD GLU A 82 10.793 -12.153 4.669 1.00 0.00 C ATOM 1149 OE1 GLU A 82 10.863 -12.454 5.880 1.00 0.00 O ATOM 1150 OE2 GLU A 82 11.732 -12.195 3.846 1.00 0.00 O ATOM 0 H GLU A 82 9.591 -9.838 2.140 1.00 0.00 H new ATOM 0 HA GLU A 82 7.216 -10.194 3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.076 -9.670 4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.776 -10.217 5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.648 -12.341 4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.407 -11.775 3.060 1.00 0.00 H new ATOM 1157 N HIS A 83 7.057 -8.093 5.168 1.00 0.00 N ATOM 1158 CA HIS A 83 6.664 -6.804 5.712 1.00 0.00 C ATOM 1159 C HIS A 83 7.897 -5.910 5.856 1.00 0.00 C ATOM 1160 O HIS A 83 7.929 -4.800 5.326 1.00 0.00 O ATOM 1161 CB HIS A 83 5.901 -6.978 7.027 1.00 0.00 C ATOM 1162 CG HIS A 83 5.086 -5.773 7.429 1.00 0.00 C ATOM 1163 ND1 HIS A 83 3.754 -5.620 7.086 1.00 0.00 N ATOM 1164 CD2 HIS A 83 5.428 -4.666 8.150 1.00 0.00 C ATOM 1165 CE1 HIS A 83 3.324 -4.469 7.581 1.00 0.00 C ATOM 1166 NE2 HIS A 83 4.363 -3.879 8.240 1.00 0.00 N ATOM 0 H HIS A 83 6.722 -8.899 5.696 1.00 0.00 H new ATOM 0 HA HIS A 83 5.978 -6.310 5.024 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.238 -7.839 6.939 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.613 -7.203 7.821 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.400 -4.465 8.575 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.326 -4.068 7.481 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.327 -2.981 8.722 1.00 0.00 H new ATOM 1174 N HIS A 84 8.882 -6.426 6.575 1.00 0.00 N ATOM 1175 CA HIS A 84 10.114 -5.689 6.795 1.00 0.00 C ATOM 1176 C HIS A 84 10.649 -5.173 5.458 1.00 0.00 C ATOM 1177 O HIS A 84 10.902 -3.978 5.305 1.00 0.00 O ATOM 1178 CB HIS A 84 11.133 -6.545 7.551 1.00 0.00 C ATOM 1179 CG HIS A 84 11.835 -7.567 6.689 1.00 0.00 C ATOM 1180 ND1 HIS A 84 13.075 -7.340 6.117 1.00 0.00 N ATOM 1181 CD2 HIS A 84 11.459 -8.822 6.310 1.00 0.00 C ATOM 1182 CE1 HIS A 84 13.419 -8.417 5.426 1.00 0.00 C ATOM 1183 NE2 HIS A 84 12.417 -9.334 5.546 1.00 0.00 N ATOM 0 H HIS A 84 8.852 -7.347 7.013 1.00 0.00 H new ATOM 0 HA HIS A 84 9.915 -4.823 7.426 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.879 -5.891 8.002 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.626 -7.060 8.367 1.00 0.00 H new ATOM 0 HD1 HIS A 84 13.629 -6.489 6.211 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.538 -9.316 6.585 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.333 -8.546 4.866 1.00 0.00 H new ATOM 1191 N GLU A 85 10.807 -6.098 4.523 1.00 0.00 N ATOM 1192 CA GLU A 85 11.307 -5.752 3.204 1.00 0.00 C ATOM 1193 C GLU A 85 10.631 -4.476 2.698 1.00 0.00 C ATOM 1194 O GLU A 85 11.301 -3.563 2.217 1.00 0.00 O ATOM 1195 CB GLU A 85 11.105 -6.907 2.220 1.00 0.00 C ATOM 1196 CG GLU A 85 12.039 -8.074 2.547 1.00 0.00 C ATOM 1197 CD GLU A 85 12.714 -8.607 1.281 1.00 0.00 C ATOM 1198 OE1 GLU A 85 13.553 -7.863 0.729 1.00 0.00 O ATOM 1199 OE2 GLU A 85 12.375 -9.746 0.894 1.00 0.00 O ATOM 0 H GLU A 85 10.597 -7.088 4.653 1.00 0.00 H new ATOM 0 HA GLU A 85 12.378 -5.567 3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.069 -7.244 2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.292 -6.561 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.798 -7.749 3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.474 -8.873 3.026 1.00 0.00 H new ATOM 1206 N ALA A 86 9.312 -4.454 2.823 1.00 0.00 N ATOM 1207 CA ALA A 86 8.538 -3.305 2.384 1.00 0.00 C ATOM 1208 C ALA A 86 8.902 -2.092 3.242 1.00 0.00 C ATOM 1209 O ALA A 86 9.411 -1.096 2.732 1.00 0.00 O ATOM 1210 CB ALA A 86 7.046 -3.640 2.449 1.00 0.00 C ATOM 0 H ALA A 86 8.760 -5.213 3.222 1.00 0.00 H new ATOM 0 HA ALA A 86 8.772 -3.057 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.465 -2.778 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.835 -4.489 1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.774 -3.891 3.474 1.00 0.00 H new ATOM 1216 N VAL A 87 8.626 -2.216 4.532 1.00 0.00 N ATOM 1217 CA VAL A 87 8.918 -1.143 5.467 1.00 0.00 C ATOM 1218 C VAL A 87 10.282 -0.537 5.131 1.00 0.00 C ATOM 1219 O VAL A 87 10.396 0.672 4.932 1.00 0.00 O ATOM 1220 CB VAL A 87 8.832 -1.661 6.904 1.00 0.00 C ATOM 1221 CG1 VAL A 87 9.268 -0.587 7.901 1.00 0.00 C ATOM 1222 CG2 VAL A 87 7.422 -2.165 7.221 1.00 0.00 C ATOM 0 H VAL A 87 8.203 -3.044 4.952 1.00 0.00 H new ATOM 0 HA VAL A 87 8.178 -0.348 5.378 1.00 0.00 H new ATOM 0 HB VAL A 87 9.518 -2.503 6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.197 -0.981 8.915 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.298 -0.297 7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.620 0.284 7.804 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.388 -2.528 8.248 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.708 -1.350 7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.164 -2.977 6.541 1.00 0.00 H new ATOM 1232 N GLU A 88 11.282 -1.404 5.078 1.00 0.00 N ATOM 1233 CA GLU A 88 12.634 -0.970 4.769 1.00 0.00 C ATOM 1234 C GLU A 88 12.643 -0.130 3.490 1.00 0.00 C ATOM 1235 O GLU A 88 13.230 0.950 3.456 1.00 0.00 O ATOM 1236 CB GLU A 88 13.580 -2.166 4.646 1.00 0.00 C ATOM 1237 CG GLU A 88 14.798 -1.997 5.556 1.00 0.00 C ATOM 1238 CD GLU A 88 15.973 -1.384 4.791 1.00 0.00 C ATOM 1239 OE1 GLU A 88 16.675 -2.163 4.111 1.00 0.00 O ATOM 1240 OE2 GLU A 88 16.142 -0.151 4.904 1.00 0.00 O ATOM 0 H GLU A 88 11.183 -2.406 5.244 1.00 0.00 H new ATOM 0 HA GLU A 88 12.991 -0.349 5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.050 -3.082 4.908 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.906 -2.271 3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.539 -1.361 6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.090 -2.965 5.963 1.00 0.00 H new ATOM 1247 N ALA A 89 11.984 -0.658 2.469 1.00 0.00 N ATOM 1248 CA ALA A 89 11.908 0.029 1.191 1.00 0.00 C ATOM 1249 C ALA A 89 11.139 1.339 1.366 1.00 0.00 C ATOM 1250 O ALA A 89 11.473 2.347 0.746 1.00 0.00 O ATOM 1251 CB ALA A 89 11.263 -0.892 0.153 1.00 0.00 C ATOM 0 H ALA A 89 11.498 -1.554 2.501 1.00 0.00 H new ATOM 0 HA ALA A 89 12.906 0.278 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.206 -0.376 -0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.864 -1.795 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.259 -1.162 0.480 1.00 0.00 H new ATOM 1257 N LEU A 90 10.122 1.283 2.214 1.00 0.00 N ATOM 1258 CA LEU A 90 9.302 2.452 2.478 1.00 0.00 C ATOM 1259 C LEU A 90 10.141 3.504 3.208 1.00 0.00 C ATOM 1260 O LEU A 90 10.279 4.631 2.735 1.00 0.00 O ATOM 1261 CB LEU A 90 8.028 2.056 3.226 1.00 0.00 C ATOM 1262 CG LEU A 90 6.886 1.513 2.364 1.00 0.00 C ATOM 1263 CD1 LEU A 90 5.772 0.929 3.235 1.00 0.00 C ATOM 1264 CD2 LEU A 90 6.362 2.587 1.408 1.00 0.00 C ATOM 0 H LEU A 90 9.848 0.445 2.727 1.00 0.00 H new ATOM 0 HA LEU A 90 8.968 2.901 1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.286 1.302 3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.664 2.928 3.770 1.00 0.00 H new ATOM 0 HG LEU A 90 7.277 0.700 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.973 0.550 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.172 0.114 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.377 1.706 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.551 2.175 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.993 3.436 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.169 2.916 0.753 1.00 0.00 H new ATOM 1276 N ARG A 91 10.680 3.097 4.348 1.00 0.00 N ATOM 1277 CA ARG A 91 11.502 3.990 5.148 1.00 0.00 C ATOM 1278 C ARG A 91 12.734 4.430 4.354 1.00 0.00 C ATOM 1279 O ARG A 91 13.221 5.546 4.527 1.00 0.00 O ATOM 1280 CB ARG A 91 11.953 3.311 6.442 1.00 0.00 C ATOM 1281 CG ARG A 91 13.323 2.651 6.267 1.00 0.00 C ATOM 1282 CD ARG A 91 13.660 1.760 7.464 1.00 0.00 C ATOM 1283 NE ARG A 91 14.853 2.284 8.165 1.00 0.00 N ATOM 1284 CZ ARG A 91 14.814 3.236 9.107 1.00 0.00 C ATOM 1285 NH1 ARG A 91 13.641 3.774 9.468 1.00 0.00 N ATOM 1286 NH2 ARG A 91 15.948 3.650 9.690 1.00 0.00 N ATOM 0 H ARG A 91 10.564 2.161 4.737 1.00 0.00 H new ATOM 0 HA ARG A 91 10.898 4.861 5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 91 12.000 4.046 7.245 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.219 2.561 6.738 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.330 2.057 5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 91 14.089 3.419 6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 91 12.813 1.722 8.149 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.844 0.740 7.128 1.00 0.00 H new ATOM 0 HE ARG A 91 15.763 1.896 7.915 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.778 3.459 9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.611 4.499 10.185 1.00 0.00 H new ATOM 0 HH21 ARG A 91 16.841 3.240 9.416 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.918 4.375 10.407 1.00 0.00 H new ATOM 1300 N GLY A 92 13.202 3.531 3.502 1.00 0.00 N ATOM 1301 CA GLY A 92 14.367 3.812 2.681 1.00 0.00 C ATOM 1302 C GLY A 92 13.965 4.496 1.373 1.00 0.00 C ATOM 1303 O GLY A 92 13.670 3.827 0.384 1.00 0.00 O ATOM 0 H GLY A 92 12.795 2.606 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.059 4.450 3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.895 2.884 2.463 1.00 0.00 H new ATOM 1307 N ALA A 93 13.966 5.820 1.410 1.00 0.00 N ATOM 1308 CA ALA A 93 13.604 6.602 0.240 1.00 0.00 C ATOM 1309 C ALA A 93 13.902 8.079 0.506 1.00 0.00 C ATOM 1310 O ALA A 93 13.662 8.576 1.605 1.00 0.00 O ATOM 1311 CB ALA A 93 12.134 6.357 -0.104 1.00 0.00 C ATOM 0 H ALA A 93 14.212 6.371 2.232 1.00 0.00 H new ATOM 0 HA ALA A 93 14.196 6.297 -0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.863 6.944 -0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.981 5.298 -0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.509 6.654 0.738 1.00 0.00 H new ATOM 1317 N GLY A 94 14.422 8.739 -0.519 1.00 0.00 N ATOM 1318 CA GLY A 94 14.755 10.149 -0.409 1.00 0.00 C ATOM 1319 C GLY A 94 13.511 11.022 -0.589 1.00 0.00 C ATOM 1320 O GLY A 94 12.387 10.528 -0.524 1.00 0.00 O ATOM 0 H GLY A 94 14.621 8.323 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.204 10.345 0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.499 10.410 -1.161 1.00 0.00 H new ATOM 1324 N THR A 95 13.755 12.305 -0.811 1.00 0.00 N ATOM 1325 CA THR A 95 12.669 13.251 -1.001 1.00 0.00 C ATOM 1326 C THR A 95 11.567 12.632 -1.862 1.00 0.00 C ATOM 1327 O THR A 95 10.569 12.139 -1.339 1.00 0.00 O ATOM 1328 CB THR A 95 13.257 14.533 -1.595 1.00 0.00 C ATOM 1329 OG1 THR A 95 14.077 14.074 -2.667 1.00 0.00 O ATOM 1330 CG2 THR A 95 14.238 15.223 -0.645 1.00 0.00 C ATOM 0 H THR A 95 14.689 12.712 -0.864 1.00 0.00 H new ATOM 0 HA THR A 95 12.194 13.503 -0.053 1.00 0.00 H new ATOM 0 HB THR A 95 12.449 15.221 -1.845 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.497 14.841 -3.110 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.625 16.127 -1.115 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.725 15.487 0.280 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.064 14.548 -0.421 1.00 0.00 H new ATOM 1338 N ALA A 96 11.784 12.678 -3.168 1.00 0.00 N ATOM 1339 CA ALA A 96 10.821 12.128 -4.107 1.00 0.00 C ATOM 1340 C ALA A 96 10.817 10.602 -3.991 1.00 0.00 C ATOM 1341 O ALA A 96 11.806 9.949 -4.318 1.00 0.00 O ATOM 1342 CB ALA A 96 11.157 12.604 -5.521 1.00 0.00 C ATOM 0 H ALA A 96 12.613 13.088 -3.598 1.00 0.00 H new ATOM 0 HA ALA A 96 9.815 12.479 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.435 12.191 -6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.118 13.693 -5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.158 12.268 -5.790 1.00 0.00 H new ATOM 1348 N VAL A 97 9.693 10.079 -3.524 1.00 0.00 N ATOM 1349 CA VAL A 97 9.547 8.643 -3.361 1.00 0.00 C ATOM 1350 C VAL A 97 8.573 8.111 -4.415 1.00 0.00 C ATOM 1351 O VAL A 97 7.416 8.527 -4.462 1.00 0.00 O ATOM 1352 CB VAL A 97 9.114 8.320 -1.930 1.00 0.00 C ATOM 1353 CG1 VAL A 97 8.800 6.830 -1.775 1.00 0.00 C ATOM 1354 CG2 VAL A 97 10.177 8.764 -0.923 1.00 0.00 C ATOM 0 H VAL A 97 8.875 10.624 -3.253 1.00 0.00 H new ATOM 0 HA VAL A 97 10.502 8.142 -3.518 1.00 0.00 H new ATOM 0 HB VAL A 97 8.201 8.878 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.495 6.627 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.993 6.556 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.688 6.244 -2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.845 8.523 0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.113 8.246 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.331 9.840 -1.007 1.00 0.00 H new ATOM 1364 N GLN A 98 9.076 7.198 -5.233 1.00 0.00 N ATOM 1365 CA GLN A 98 8.265 6.605 -6.282 1.00 0.00 C ATOM 1366 C GLN A 98 7.779 5.218 -5.857 1.00 0.00 C ATOM 1367 O GLN A 98 8.567 4.395 -5.392 1.00 0.00 O ATOM 1368 CB GLN A 98 9.039 6.534 -7.600 1.00 0.00 C ATOM 1369 CG GLN A 98 8.166 6.982 -8.773 1.00 0.00 C ATOM 1370 CD GLN A 98 8.855 6.698 -10.110 1.00 0.00 C ATOM 1371 OE1 GLN A 98 9.218 7.595 -10.853 1.00 0.00 O ATOM 1372 NE2 GLN A 98 9.014 5.404 -10.372 1.00 0.00 N ATOM 0 H GLN A 98 10.035 6.855 -5.190 1.00 0.00 H new ATOM 0 HA GLN A 98 7.394 7.240 -6.444 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.925 7.165 -7.540 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.385 5.514 -7.768 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.208 6.464 -8.736 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.955 8.048 -8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.686 4.705 -9.706 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.464 5.111 -11.239 1.00 0.00 H new ATOM 1381 N MET A 99 6.484 5.000 -6.032 1.00 0.00 N ATOM 1382 CA MET A 99 5.884 3.727 -5.672 1.00 0.00 C ATOM 1383 C MET A 99 5.011 3.192 -6.809 1.00 0.00 C ATOM 1384 O MET A 99 4.022 3.819 -7.186 1.00 0.00 O ATOM 1385 CB MET A 99 5.032 3.901 -4.413 1.00 0.00 C ATOM 1386 CG MET A 99 5.913 4.097 -3.178 1.00 0.00 C ATOM 1387 SD MET A 99 5.123 3.381 -1.745 1.00 0.00 S ATOM 1388 CE MET A 99 4.931 4.841 -0.736 1.00 0.00 C ATOM 0 H MET A 99 5.833 5.684 -6.419 1.00 0.00 H new ATOM 0 HA MET A 99 6.683 3.010 -5.484 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.371 4.759 -4.533 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.397 3.026 -4.276 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.886 3.632 -3.338 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.091 5.160 -3.013 1.00 0.00 H new ATOM 0 HE1 MET A 99 4.916 4.557 0.316 1.00 0.00 H new ATOM 0 HE2 MET A 99 5.764 5.520 -0.917 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.995 5.339 -0.991 1.00 0.00 H new ATOM 1398 N ARG A 100 5.408 2.037 -7.324 1.00 0.00 N ATOM 1399 CA ARG A 100 4.675 1.410 -8.410 1.00 0.00 C ATOM 1400 C ARG A 100 3.568 0.511 -7.854 1.00 0.00 C ATOM 1401 O ARG A 100 3.841 -0.579 -7.354 1.00 0.00 O ATOM 1402 CB ARG A 100 5.605 0.575 -9.293 1.00 0.00 C ATOM 1403 CG ARG A 100 4.980 0.328 -10.667 1.00 0.00 C ATOM 1404 CD ARG A 100 5.807 -0.675 -11.473 1.00 0.00 C ATOM 1405 NE ARG A 100 5.932 -0.218 -12.875 1.00 0.00 N ATOM 1406 CZ ARG A 100 6.451 -0.959 -13.864 1.00 0.00 C ATOM 1407 NH1 ARG A 100 6.897 -2.197 -13.610 1.00 0.00 N ATOM 1408 NH2 ARG A 100 6.525 -0.462 -15.106 1.00 0.00 N ATOM 0 H ARG A 100 6.228 1.519 -7.009 1.00 0.00 H new ATOM 0 HA ARG A 100 4.235 2.203 -9.014 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.559 1.089 -9.411 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.814 -0.378 -8.808 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.964 -0.047 -10.546 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.910 1.269 -11.213 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.796 -0.784 -11.028 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.334 -1.656 -11.443 1.00 0.00 H new ATOM 0 HE ARG A 100 5.602 0.720 -13.103 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.841 -2.575 -12.664 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.292 -2.761 -14.362 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.186 0.481 -15.299 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.920 -1.026 -15.858 1.00 0.00 H new ATOM 1422 N VAL A 101 2.342 1.002 -7.960 1.00 0.00 N ATOM 1423 CA VAL A 101 1.193 0.257 -7.474 1.00 0.00 C ATOM 1424 C VAL A 101 0.465 -0.379 -8.660 1.00 0.00 C ATOM 1425 O VAL A 101 0.671 0.018 -9.806 1.00 0.00 O ATOM 1426 CB VAL A 101 0.292 1.170 -6.640 1.00 0.00 C ATOM 1427 CG1 VAL A 101 1.012 1.643 -5.375 1.00 0.00 C ATOM 1428 CG2 VAL A 101 -0.201 2.359 -7.467 1.00 0.00 C ATOM 0 H VAL A 101 2.119 1.907 -8.375 1.00 0.00 H new ATOM 0 HA VAL A 101 1.512 -0.551 -6.816 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.579 0.591 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.350 2.290 -4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.290 0.780 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.909 2.196 -5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.839 2.992 -6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.654 2.938 -7.818 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.769 1.996 -8.323 1.00 0.00 H new ATOM 1438 N TRP A 102 -0.371 -1.357 -8.344 1.00 0.00 N ATOM 1439 CA TRP A 102 -1.131 -2.053 -9.369 1.00 0.00 C ATOM 1440 C TRP A 102 -2.619 -1.839 -9.081 1.00 0.00 C ATOM 1441 O TRP A 102 -3.093 -2.143 -7.988 1.00 0.00 O ATOM 1442 CB TRP A 102 -0.741 -3.530 -9.433 1.00 0.00 C ATOM 1443 CG TRP A 102 -1.238 -4.252 -10.688 1.00 0.00 C ATOM 1444 CD1 TRP A 102 -1.013 -3.929 -11.969 1.00 0.00 C ATOM 1445 CD2 TRP A 102 -2.058 -5.439 -10.729 1.00 0.00 C ATOM 1446 NE1 TRP A 102 -1.626 -4.817 -12.829 1.00 0.00 N ATOM 1447 CE2 TRP A 102 -2.281 -5.764 -12.051 1.00 0.00 C ATOM 1448 CE3 TRP A 102 -2.593 -6.212 -9.684 1.00 0.00 C ATOM 1449 CZ2 TRP A 102 -3.044 -6.868 -12.451 1.00 0.00 C ATOM 1450 CZ3 TRP A 102 -3.353 -7.312 -10.099 1.00 0.00 C ATOM 1451 CH2 TRP A 102 -3.587 -7.653 -11.426 1.00 0.00 C ATOM 0 H TRP A 102 -0.539 -1.684 -7.393 1.00 0.00 H new ATOM 0 HA TRP A 102 -0.906 -1.650 -10.356 1.00 0.00 H new ATOM 0 HB2 TRP A 102 0.345 -3.611 -9.386 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.137 -4.038 -8.554 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.426 -3.081 -12.288 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -1.603 -4.784 -13.848 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.431 -5.976 -8.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.205 -7.101 -13.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -3.788 -7.939 -9.335 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.185 -8.520 -11.666 1.00 0.00 H new ATOM 1462 N ARG A 103 -3.314 -1.319 -10.082 1.00 0.00 N ATOM 1463 CA ARG A 103 -4.737 -1.061 -9.951 1.00 0.00 C ATOM 1464 C ARG A 103 -5.398 -1.013 -11.330 1.00 0.00 C ATOM 1465 O ARG A 103 -4.732 -0.760 -12.333 1.00 0.00 O ATOM 1466 CB ARG A 103 -4.993 0.261 -9.224 1.00 0.00 C ATOM 1467 CG ARG A 103 -6.450 0.363 -8.768 1.00 0.00 C ATOM 1468 CD ARG A 103 -6.715 1.700 -8.074 1.00 0.00 C ATOM 1469 NE ARG A 103 -6.922 1.486 -6.624 1.00 0.00 N ATOM 1470 CZ ARG A 103 -8.100 1.165 -6.073 1.00 0.00 C ATOM 1471 NH1 ARG A 103 -9.184 1.018 -6.846 1.00 0.00 N ATOM 1472 NH2 ARG A 103 -8.194 0.990 -4.748 1.00 0.00 N ATOM 0 H ARG A 103 -2.917 -1.069 -10.988 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.168 -1.874 -9.366 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.332 0.339 -8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.756 1.095 -9.884 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.112 0.258 -9.628 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.680 -0.456 -8.087 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.874 2.375 -8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.594 2.177 -8.509 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.117 1.589 -6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -9.113 1.150 -7.855 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -10.081 0.774 -6.426 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -7.369 1.101 -4.159 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.091 0.746 -4.328 1.00 0.00 H new ATOM 1486 N GLU A 104 -6.700 -1.260 -11.336 1.00 0.00 N ATOM 1487 CA GLU A 104 -7.458 -1.248 -12.576 1.00 0.00 C ATOM 1488 C GLU A 104 -8.001 0.155 -12.853 1.00 0.00 C ATOM 1489 O GLU A 104 -8.468 0.834 -11.940 1.00 0.00 O ATOM 1490 CB GLU A 104 -8.590 -2.277 -12.536 1.00 0.00 C ATOM 1491 CG GLU A 104 -9.176 -2.501 -13.931 1.00 0.00 C ATOM 1492 CD GLU A 104 -10.702 -2.391 -13.909 1.00 0.00 C ATOM 1493 OE1 GLU A 104 -11.340 -3.414 -13.579 1.00 0.00 O ATOM 1494 OE2 GLU A 104 -11.196 -1.287 -14.224 1.00 0.00 O ATOM 0 H GLU A 104 -7.249 -1.470 -10.502 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.789 -1.524 -13.391 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.215 -3.220 -12.139 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.373 -1.935 -11.859 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.765 -1.767 -14.624 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.884 -3.485 -14.298 1.00 0.00 H new