USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 407 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 28 SER OG : rot 180:sc= 0.0355 USER MOD Set 1.2: A 31 LYS NZ :NH3+ -142:sc= 0.0345 (180deg=0) USER MOD Set 2.1: A 18 GLN :FLIP amide:sc= 0.832 F(o=-12,f=-8.3) USER MOD Set 2.2: A 38 CYS SG : rot -83:sc= -9.11! USER MOD Single : A 9 SER OG : rot 16:sc= 0.835 USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -119:sc= -0.778 (180deg=-1.84!) USER MOD Single : A 24 GLN :FLIP amide:sc= -2.41! C(o=-4!,f=-2.4!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.546 F(o=-2.1,f=-0.55) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.53 USER MOD Single : A 44 GLN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 149:sc= -0.294 (180deg=-1.14) USER MOD ----------------------------------------------------------------- ATOM 201 N SER A 9 12.120 -0.894 -0.077 1.00 0.00 N ATOM 202 CA SER A 9 12.801 -2.183 -0.011 1.00 0.00 C ATOM 203 C SER A 9 11.846 -3.297 -0.443 1.00 0.00 C ATOM 204 O SER A 9 10.706 -3.020 -0.814 1.00 0.00 O ATOM 205 CB SER A 9 13.301 -2.424 1.417 1.00 0.00 C ATOM 206 OG SER A 9 13.077 -1.290 2.239 1.00 0.00 O ATOM 0 HA SER A 9 13.656 -2.180 -0.687 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.793 -3.290 1.841 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.366 -2.657 1.397 1.00 0.00 H new ATOM 0 HG SER A 9 12.431 -0.694 1.805 1.00 0.00 H new ATOM 212 N PRO A 10 12.269 -4.578 -0.391 1.00 0.00 N ATOM 213 CA PRO A 10 11.396 -5.692 -0.772 1.00 0.00 C ATOM 214 C PRO A 10 10.057 -5.603 -0.053 1.00 0.00 C ATOM 215 O PRO A 10 9.045 -6.124 -0.523 1.00 0.00 O ATOM 216 CB PRO A 10 12.170 -6.942 -0.331 1.00 0.00 C ATOM 217 CG PRO A 10 13.270 -6.440 0.542 1.00 0.00 C ATOM 218 CD PRO A 10 13.584 -5.056 0.053 1.00 0.00 C ATOM 0 HA PRO A 10 11.166 -5.696 -1.837 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.524 -7.634 0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.566 -7.482 -1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.963 -6.424 1.588 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.146 -7.085 0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.999 -4.430 0.843 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.309 -5.066 -0.761 1.00 0.00 H new ATOM 226 N GLN A 11 10.064 -4.918 1.089 1.00 0.00 N ATOM 227 CA GLN A 11 8.861 -4.724 1.886 1.00 0.00 C ATOM 228 C GLN A 11 7.703 -4.263 1.015 1.00 0.00 C ATOM 229 O GLN A 11 6.550 -4.518 1.330 1.00 0.00 O ATOM 230 CB GLN A 11 9.120 -3.694 2.984 1.00 0.00 C ATOM 231 CG GLN A 11 10.103 -4.161 4.045 1.00 0.00 C ATOM 232 CD GLN A 11 10.348 -3.109 5.110 1.00 0.00 C ATOM 233 OE1 GLN A 11 10.483 -1.858 4.684 1.00 0.00 O flip ATOM 234 NE2 GLN A 11 10.415 -3.418 6.300 1.00 0.00 N flip ATOM 0 H GLN A 11 10.899 -4.486 1.483 1.00 0.00 H new ATOM 0 HA GLN A 11 8.596 -5.679 2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.499 -2.779 2.529 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.174 -3.443 3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.722 -5.068 4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.049 -4.421 3.570 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.305 -4.392 6.581 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.580 -2.700 7.005 1.00 0.00 H new ATOM 243 N ALA A 12 8.007 -3.592 -0.090 1.00 0.00 N ATOM 244 CA ALA A 12 6.959 -3.122 -0.989 1.00 0.00 C ATOM 245 C ALA A 12 5.904 -4.209 -1.176 1.00 0.00 C ATOM 246 O ALA A 12 4.725 -4.014 -0.874 1.00 0.00 O ATOM 247 CB ALA A 12 7.551 -2.719 -2.330 1.00 0.00 C ATOM 0 H ALA A 12 8.957 -3.363 -0.383 1.00 0.00 H new ATOM 0 HA ALA A 12 6.484 -2.246 -0.547 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.756 -2.371 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.276 -1.919 -2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.046 -3.578 -2.782 1.00 0.00 H new ATOM 253 N ARG A 13 6.352 -5.365 -1.648 1.00 0.00 N ATOM 254 CA ARG A 13 5.473 -6.505 -1.858 1.00 0.00 C ATOM 255 C ARG A 13 5.244 -7.260 -0.551 1.00 0.00 C ATOM 256 O ARG A 13 4.169 -7.806 -0.324 1.00 0.00 O ATOM 257 CB ARG A 13 6.078 -7.450 -2.898 1.00 0.00 C ATOM 258 CG ARG A 13 7.315 -8.181 -2.396 1.00 0.00 C ATOM 259 CD ARG A 13 8.311 -8.441 -3.516 1.00 0.00 C ATOM 260 NE ARG A 13 8.704 -9.847 -3.583 1.00 0.00 N ATOM 261 CZ ARG A 13 9.303 -10.399 -4.634 1.00 0.00 C ATOM 262 NH1 ARG A 13 9.580 -9.671 -5.709 1.00 0.00 N ATOM 263 NH2 ARG A 13 9.628 -11.685 -4.611 1.00 0.00 N ATOM 0 H ARG A 13 7.327 -5.537 -1.894 1.00 0.00 H new ATOM 0 HA ARG A 13 4.514 -6.134 -2.220 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.327 -8.182 -3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.338 -6.880 -3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.793 -7.591 -1.614 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.019 -9.128 -1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.873 -8.141 -4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.197 -7.824 -3.364 1.00 0.00 H new ATOM 0 HE ARG A 13 8.507 -10.440 -2.776 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.333 -8.682 -5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.040 -10.101 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.418 -12.249 -3.788 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.087 -12.109 -5.417 1.00 0.00 H new ATOM 277 N ALA A 14 6.271 -7.295 0.298 1.00 0.00 N ATOM 278 CA ALA A 14 6.185 -7.991 1.576 1.00 0.00 C ATOM 279 C ALA A 14 5.187 -7.311 2.503 1.00 0.00 C ATOM 280 O ALA A 14 4.221 -7.926 2.953 1.00 0.00 O ATOM 281 CB ALA A 14 7.556 -8.064 2.232 1.00 0.00 C ATOM 0 H ALA A 14 7.171 -6.849 0.121 1.00 0.00 H new ATOM 0 HA ALA A 14 5.833 -9.005 1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.476 -8.586 3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.243 -8.603 1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.932 -7.055 2.402 1.00 0.00 H new ATOM 287 N PHE A 15 5.416 -6.032 2.774 1.00 0.00 N ATOM 288 CA PHE A 15 4.529 -5.265 3.630 1.00 0.00 C ATOM 289 C PHE A 15 3.101 -5.385 3.120 1.00 0.00 C ATOM 290 O PHE A 15 2.187 -5.678 3.881 1.00 0.00 O ATOM 291 CB PHE A 15 4.992 -3.794 3.720 1.00 0.00 C ATOM 292 CG PHE A 15 4.378 -2.846 2.711 1.00 0.00 C ATOM 293 CD1 PHE A 15 3.021 -2.563 2.731 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.168 -2.230 1.751 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.465 -1.693 1.814 1.00 0.00 C ATOM 296 CE2 PHE A 15 4.615 -1.359 0.831 1.00 0.00 C ATOM 297 CZ PHE A 15 3.262 -1.090 0.862 1.00 0.00 C ATOM 0 H PHE A 15 6.211 -5.506 2.411 1.00 0.00 H new ATOM 0 HA PHE A 15 4.562 -5.668 4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.769 -3.423 4.721 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.075 -3.766 3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.390 -3.029 3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.228 -2.434 1.722 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.406 -1.484 1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.242 -0.889 0.088 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.828 -0.410 0.144 1.00 0.00 H new ATOM 307 N LEU A 16 2.926 -5.188 1.818 1.00 0.00 N ATOM 308 CA LEU A 16 1.610 -5.304 1.207 1.00 0.00 C ATOM 309 C LEU A 16 1.146 -6.752 1.253 1.00 0.00 C ATOM 310 O LEU A 16 -0.025 -7.035 1.506 1.00 0.00 O ATOM 311 CB LEU A 16 1.644 -4.814 -0.241 1.00 0.00 C ATOM 312 CG LEU A 16 0.295 -4.395 -0.835 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.826 -5.311 -0.369 1.00 0.00 C ATOM 314 CD2 LEU A 16 -0.011 -2.959 -0.466 1.00 0.00 C ATOM 0 H LEU A 16 3.676 -4.948 1.169 1.00 0.00 H new ATOM 0 HA LEU A 16 0.911 -4.683 1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.326 -3.966 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.063 -5.605 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 16 0.363 -4.479 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.769 -4.985 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.614 -6.334 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.900 -5.272 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.972 -2.670 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.052 -2.863 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.770 -2.308 -0.858 1.00 0.00 H new ATOM 326 N GLU A 17 2.079 -7.670 1.017 1.00 0.00 N ATOM 327 CA GLU A 17 1.775 -9.096 1.038 1.00 0.00 C ATOM 328 C GLU A 17 0.939 -9.440 2.260 1.00 0.00 C ATOM 329 O GLU A 17 -0.199 -9.883 2.135 1.00 0.00 O ATOM 330 CB GLU A 17 3.066 -9.921 1.025 1.00 0.00 C ATOM 331 CG GLU A 17 3.374 -10.543 -0.326 1.00 0.00 C ATOM 332 CD GLU A 17 2.607 -11.828 -0.566 1.00 0.00 C ATOM 333 OE1 GLU A 17 2.322 -12.542 0.418 1.00 0.00 O ATOM 334 OE2 GLU A 17 2.288 -12.118 -1.739 1.00 0.00 O ATOM 0 H GLU A 17 3.053 -7.451 0.809 1.00 0.00 H new ATOM 0 HA GLU A 17 1.201 -9.340 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.899 -9.283 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.990 -10.712 1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.134 -9.829 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.443 -10.745 -0.394 1.00 0.00 H new ATOM 341 N GLN A 18 1.507 -9.210 3.436 1.00 0.00 N ATOM 342 CA GLN A 18 0.807 -9.479 4.686 1.00 0.00 C ATOM 343 C GLN A 18 -0.412 -8.568 4.820 1.00 0.00 C ATOM 344 O GLN A 18 -1.445 -8.974 5.352 1.00 0.00 O ATOM 345 CB GLN A 18 1.746 -9.303 5.883 1.00 0.00 C ATOM 346 CG GLN A 18 2.733 -8.155 5.734 1.00 0.00 C ATOM 347 CD GLN A 18 2.765 -7.248 6.949 1.00 0.00 C ATOM 348 OE1 GLN A 18 1.589 -6.877 7.441 1.00 0.00 O flip ATOM 349 NE2 GLN A 18 3.833 -6.885 7.440 1.00 0.00 N flip ATOM 0 H GLN A 18 2.450 -8.838 3.551 1.00 0.00 H new ATOM 0 HA GLN A 18 0.466 -10.514 4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.148 -9.140 6.780 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.302 -10.228 6.035 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.730 -8.559 5.561 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.470 -7.568 4.854 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.714 -7.194 7.030 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.837 -6.275 8.257 1.00 0.00 H new ATOM 358 N VAL A 19 -0.294 -7.340 4.311 1.00 0.00 N ATOM 359 CA VAL A 19 -1.399 -6.383 4.355 1.00 0.00 C ATOM 360 C VAL A 19 -2.620 -6.968 3.655 1.00 0.00 C ATOM 361 O VAL A 19 -3.641 -7.247 4.284 1.00 0.00 O ATOM 362 CB VAL A 19 -1.014 -5.049 3.674 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.222 -4.145 3.495 1.00 0.00 C ATOM 364 CG2 VAL A 19 0.067 -4.337 4.466 1.00 0.00 C ATOM 0 H VAL A 19 0.553 -6.987 3.865 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.628 -6.185 5.402 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.625 -5.285 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.914 -3.217 3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.963 -4.647 2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.657 -3.921 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.324 -3.401 3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.297 -4.127 5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.952 -4.971 4.525 1.00 0.00 H new ATOM 374 N PHE A 20 -2.493 -7.165 2.349 1.00 0.00 N ATOM 375 CA PHE A 20 -3.566 -7.734 1.545 1.00 0.00 C ATOM 376 C PHE A 20 -3.895 -9.154 2.009 1.00 0.00 C ATOM 377 O PHE A 20 -4.934 -9.706 1.652 1.00 0.00 O ATOM 378 CB PHE A 20 -3.153 -7.740 0.073 1.00 0.00 C ATOM 379 CG PHE A 20 -4.173 -8.340 -0.852 1.00 0.00 C ATOM 380 CD1 PHE A 20 -4.235 -9.710 -1.041 1.00 0.00 C ATOM 381 CD2 PHE A 20 -5.063 -7.531 -1.539 1.00 0.00 C ATOM 382 CE1 PHE A 20 -5.166 -10.265 -1.898 1.00 0.00 C ATOM 383 CE2 PHE A 20 -5.996 -8.079 -2.399 1.00 0.00 C ATOM 384 CZ PHE A 20 -6.048 -9.447 -2.578 1.00 0.00 C ATOM 0 H PHE A 20 -1.651 -6.937 1.821 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.460 -7.122 1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.953 -6.715 -0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.219 -8.292 -0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.547 -10.353 -0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.028 -6.460 -1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.204 -11.335 -2.036 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.684 -7.438 -2.930 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.777 -9.877 -3.249 1.00 0.00 H new ATOM 394 N ARG A 21 -3.000 -9.740 2.803 1.00 0.00 N ATOM 395 CA ARG A 21 -3.197 -11.091 3.313 1.00 0.00 C ATOM 396 C ARG A 21 -4.123 -11.086 4.525 1.00 0.00 C ATOM 397 O ARG A 21 -4.934 -11.994 4.702 1.00 0.00 O ATOM 398 CB ARG A 21 -1.851 -11.710 3.694 1.00 0.00 C ATOM 399 CG ARG A 21 -1.594 -13.054 3.035 1.00 0.00 C ATOM 400 CD ARG A 21 -1.590 -12.932 1.520 1.00 0.00 C ATOM 401 NE ARG A 21 -2.160 -14.113 0.874 1.00 0.00 N ATOM 402 CZ ARG A 21 -1.592 -15.316 0.894 1.00 0.00 C ATOM 403 NH1 ARG A 21 -0.439 -15.500 1.527 1.00 0.00 N ATOM 404 NH2 ARG A 21 -2.175 -16.337 0.281 1.00 0.00 N ATOM 0 H ARG A 21 -2.132 -9.298 3.106 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.660 -11.687 2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.052 -11.021 3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.809 -11.831 4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.637 -13.450 3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.360 -13.765 3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.157 -12.049 1.226 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.568 -12.786 1.171 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.046 -14.009 0.379 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.014 -14.718 2.000 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.006 -16.424 1.540 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.060 -16.201 -0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.738 -17.259 0.297 1.00 0.00 H new ATOM 418 N ARG A 22 -3.997 -10.056 5.356 1.00 0.00 N ATOM 419 CA ARG A 22 -4.822 -9.933 6.549 1.00 0.00 C ATOM 420 C ARG A 22 -6.296 -9.886 6.175 1.00 0.00 C ATOM 421 O ARG A 22 -7.146 -10.447 6.868 1.00 0.00 O ATOM 422 CB ARG A 22 -4.439 -8.672 7.321 1.00 0.00 C ATOM 423 CG ARG A 22 -3.149 -8.812 8.114 1.00 0.00 C ATOM 424 CD ARG A 22 -2.508 -7.462 8.386 1.00 0.00 C ATOM 425 NE ARG A 22 -2.542 -7.115 9.804 1.00 0.00 N ATOM 426 CZ ARG A 22 -1.889 -7.789 10.748 1.00 0.00 C ATOM 427 NH1 ARG A 22 -1.149 -8.844 10.428 1.00 0.00 N ATOM 428 NH2 ARG A 22 -1.975 -7.407 12.015 1.00 0.00 N ATOM 0 H ARG A 22 -3.331 -9.295 5.224 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.651 -10.804 7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.337 -7.844 6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.249 -8.414 8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.355 -9.314 9.059 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.450 -9.443 7.564 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.474 -7.476 8.041 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.025 -6.693 7.812 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.099 -6.309 10.088 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.079 -9.141 9.455 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.651 -9.357 11.155 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.542 -6.597 12.266 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.475 -7.923 12.738 1.00 0.00 H new ATOM 442 N LYS A 23 -6.586 -9.223 5.065 1.00 0.00 N ATOM 443 CA LYS A 23 -7.955 -9.105 4.576 1.00 0.00 C ATOM 444 C LYS A 23 -7.968 -8.561 3.145 1.00 0.00 C ATOM 445 O LYS A 23 -7.092 -8.894 2.350 1.00 0.00 O ATOM 446 CB LYS A 23 -8.787 -8.224 5.515 1.00 0.00 C ATOM 447 CG LYS A 23 -8.400 -6.754 5.482 1.00 0.00 C ATOM 448 CD LYS A 23 -9.458 -5.865 6.126 1.00 0.00 C ATOM 449 CE LYS A 23 -10.870 -6.226 5.685 1.00 0.00 C ATOM 450 NZ LYS A 23 -11.488 -7.243 6.579 1.00 0.00 N ATOM 0 H LYS A 23 -5.890 -8.757 4.483 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.407 -10.097 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.840 -8.319 5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.681 -8.595 6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.450 -6.618 5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.247 -6.443 4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.387 -5.949 7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.257 -4.824 5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.488 -5.328 5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.845 -6.607 4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.713 -8.097 6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.822 -7.486 7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.361 -6.857 6.993 1.00 0.00 H new ATOM 464 N GLN A 24 -8.959 -7.737 2.806 1.00 0.00 N ATOM 465 CA GLN A 24 -9.051 -7.184 1.459 1.00 0.00 C ATOM 466 C GLN A 24 -9.618 -5.771 1.471 1.00 0.00 C ATOM 467 O GLN A 24 -9.079 -4.866 0.834 1.00 0.00 O ATOM 468 CB GLN A 24 -9.935 -8.073 0.581 1.00 0.00 C ATOM 469 CG GLN A 24 -9.763 -9.562 0.837 1.00 0.00 C ATOM 470 CD GLN A 24 -8.497 -10.119 0.217 1.00 0.00 C ATOM 471 OE1 GLN A 24 -7.794 -10.964 0.961 1.00 0.00 O flip ATOM 472 NE2 GLN A 24 -8.156 -9.792 -0.919 1.00 0.00 N flip ATOM 0 H GLN A 24 -9.702 -7.441 3.440 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.041 -7.148 1.052 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.979 -7.805 0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.714 -7.867 -0.466 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.746 -9.742 1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.624 -10.097 0.437 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.728 -9.139 -1.455 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.302 -10.174 -1.325 1.00 0.00 H new ATOM 481 N SER A 25 -10.725 -5.598 2.179 1.00 0.00 N ATOM 482 CA SER A 25 -11.393 -4.305 2.253 1.00 0.00 C ATOM 483 C SER A 25 -10.772 -3.390 3.307 1.00 0.00 C ATOM 484 O SER A 25 -11.382 -3.114 4.339 1.00 0.00 O ATOM 485 CB SER A 25 -12.880 -4.506 2.548 1.00 0.00 C ATOM 486 OG SER A 25 -13.600 -3.295 2.393 1.00 0.00 O ATOM 0 H SER A 25 -11.181 -6.338 2.712 1.00 0.00 H new ATOM 0 HA SER A 25 -11.268 -3.817 1.286 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.288 -5.263 1.878 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.005 -4.879 3.564 1.00 0.00 H new ATOM 0 HG SER A 25 -14.548 -3.451 2.586 1.00 0.00 H new ATOM 492 N LEU A 26 -9.566 -2.900 3.030 1.00 0.00 N ATOM 493 CA LEU A 26 -8.888 -1.992 3.953 1.00 0.00 C ATOM 494 C LEU A 26 -9.538 -0.612 3.893 1.00 0.00 C ATOM 495 O LEU A 26 -9.422 0.093 2.890 1.00 0.00 O ATOM 496 CB LEU A 26 -7.395 -1.880 3.616 1.00 0.00 C ATOM 497 CG LEU A 26 -6.595 -3.192 3.636 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.168 -2.942 4.106 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.264 -4.229 4.525 1.00 0.00 C ATOM 0 H LEU A 26 -9.041 -3.114 2.182 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.982 -2.395 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.300 -1.436 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.935 -1.188 4.321 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.568 -3.581 2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.617 -3.883 4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.680 -2.241 3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.184 -2.523 5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.676 -5.147 4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.331 -3.847 5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.266 -4.438 4.150 1.00 0.00 H new ATOM 511 N ASN A 27 -10.224 -0.231 4.966 1.00 0.00 N ATOM 512 CA ASN A 27 -10.896 1.068 5.017 1.00 0.00 C ATOM 513 C ASN A 27 -10.018 2.117 5.693 1.00 0.00 C ATOM 514 O ASN A 27 -8.901 1.827 6.110 1.00 0.00 O ATOM 515 CB ASN A 27 -12.250 0.969 5.737 1.00 0.00 C ATOM 516 CG ASN A 27 -12.319 -0.173 6.732 1.00 0.00 C ATOM 517 OD1 ASN A 27 -11.594 -0.038 7.833 1.00 0.00 O flip ATOM 518 ND2 ASN A 27 -13.017 -1.163 6.513 1.00 0.00 N flip ATOM 0 H ASN A 27 -10.330 -0.797 5.808 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.076 1.379 3.988 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.446 1.907 6.257 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.039 0.844 4.996 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.559 -1.224 5.651 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -13.053 -1.922 7.193 1.00 0.00 H new ATOM 525 N SER A 28 -10.533 3.340 5.789 1.00 0.00 N ATOM 526 CA SER A 28 -9.799 4.447 6.403 1.00 0.00 C ATOM 527 C SER A 28 -9.132 4.027 7.710 1.00 0.00 C ATOM 528 O SER A 28 -8.083 4.553 8.081 1.00 0.00 O ATOM 529 CB SER A 28 -10.739 5.627 6.657 1.00 0.00 C ATOM 530 OG SER A 28 -10.781 6.495 5.538 1.00 0.00 O ATOM 0 H SER A 28 -11.461 3.592 5.448 1.00 0.00 H new ATOM 0 HA SER A 28 -9.015 4.747 5.707 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.742 5.258 6.873 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.406 6.178 7.537 1.00 0.00 H new ATOM 0 HG SER A 28 -11.390 7.240 5.725 1.00 0.00 H new ATOM 536 N LYS A 29 -9.747 3.080 8.406 1.00 0.00 N ATOM 537 CA LYS A 29 -9.213 2.594 9.669 1.00 0.00 C ATOM 538 C LYS A 29 -8.064 1.623 9.436 1.00 0.00 C ATOM 539 O LYS A 29 -6.998 1.752 10.033 1.00 0.00 O ATOM 540 CB LYS A 29 -10.318 1.909 10.467 1.00 0.00 C ATOM 541 CG LYS A 29 -11.376 2.864 10.999 1.00 0.00 C ATOM 542 CD LYS A 29 -10.751 4.053 11.713 1.00 0.00 C ATOM 543 CE LYS A 29 -10.807 5.308 10.857 1.00 0.00 C ATOM 544 NZ LYS A 29 -10.631 6.544 11.671 1.00 0.00 N ATOM 0 H LYS A 29 -10.617 2.633 8.116 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.832 3.446 10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.800 1.163 9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.870 1.375 11.305 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.994 3.218 10.174 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.035 2.332 11.686 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.272 4.229 12.654 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.714 3.826 11.961 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.030 5.262 10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.763 5.350 10.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.675 7.378 11.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.387 6.601 12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.707 6.517 12.148 1.00 0.00 H new ATOM 558 N GLU A 30 -8.287 0.658 8.556 1.00 0.00 N ATOM 559 CA GLU A 30 -7.272 -0.327 8.233 1.00 0.00 C ATOM 560 C GLU A 30 -6.170 0.319 7.422 1.00 0.00 C ATOM 561 O GLU A 30 -5.002 0.024 7.602 1.00 0.00 O ATOM 562 CB GLU A 30 -7.880 -1.490 7.450 1.00 0.00 C ATOM 563 CG GLU A 30 -9.047 -2.159 8.161 1.00 0.00 C ATOM 564 CD GLU A 30 -8.950 -3.674 8.162 1.00 0.00 C ATOM 565 OE1 GLU A 30 -7.922 -4.207 7.693 1.00 0.00 O ATOM 566 OE2 GLU A 30 -9.904 -4.327 8.633 1.00 0.00 O ATOM 0 H GLU A 30 -9.166 0.538 8.053 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.856 -0.715 9.163 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.217 -1.127 6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.106 -2.234 7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.091 -1.802 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.978 -1.860 7.680 1.00 0.00 H new ATOM 573 N LYS A 31 -6.552 1.220 6.538 1.00 0.00 N ATOM 574 CA LYS A 31 -5.591 1.920 5.709 1.00 0.00 C ATOM 575 C LYS A 31 -4.608 2.691 6.585 1.00 0.00 C ATOM 576 O LYS A 31 -3.431 2.810 6.259 1.00 0.00 O ATOM 577 CB LYS A 31 -6.328 2.857 4.753 1.00 0.00 C ATOM 578 CG LYS A 31 -6.479 4.277 5.269 1.00 0.00 C ATOM 579 CD LYS A 31 -7.100 5.186 4.224 1.00 0.00 C ATOM 580 CE LYS A 31 -7.401 6.564 4.789 1.00 0.00 C ATOM 581 NZ LYS A 31 -8.196 7.392 3.842 1.00 0.00 N ATOM 0 H LYS A 31 -7.524 1.485 6.375 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.023 1.200 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.794 2.882 3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.318 2.448 4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.099 4.275 6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.502 4.666 5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.423 5.280 3.375 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.020 4.736 3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.947 6.460 5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.466 7.074 5.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.870 8.379 3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.073 7.029 2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.202 7.348 4.103 1.00 0.00 H new ATOM 595 N GLU A 32 -5.110 3.207 7.702 1.00 0.00 N ATOM 596 CA GLU A 32 -4.286 3.963 8.636 1.00 0.00 C ATOM 597 C GLU A 32 -3.671 3.035 9.682 1.00 0.00 C ATOM 598 O GLU A 32 -2.527 3.217 10.097 1.00 0.00 O ATOM 599 CB GLU A 32 -5.126 5.050 9.316 1.00 0.00 C ATOM 600 CG GLU A 32 -6.097 4.520 10.362 1.00 0.00 C ATOM 601 CD GLU A 32 -6.742 5.628 11.171 1.00 0.00 C ATOM 602 OE1 GLU A 32 -6.879 6.749 10.640 1.00 0.00 O ATOM 603 OE2 GLU A 32 -7.108 5.374 12.338 1.00 0.00 O ATOM 0 H GLU A 32 -6.086 3.115 7.982 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.477 4.438 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.457 5.769 9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.688 5.590 8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.874 3.936 9.869 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.568 3.844 11.034 1.00 0.00 H new ATOM 610 N GLU A 33 -4.445 2.040 10.096 1.00 0.00 N ATOM 611 CA GLU A 33 -3.999 1.070 11.087 1.00 0.00 C ATOM 612 C GLU A 33 -2.989 0.104 10.477 1.00 0.00 C ATOM 613 O GLU A 33 -2.044 -0.329 11.135 1.00 0.00 O ATOM 614 CB GLU A 33 -5.202 0.294 11.620 1.00 0.00 C ATOM 615 CG GLU A 33 -6.129 1.130 12.485 1.00 0.00 C ATOM 616 CD GLU A 33 -5.871 0.942 13.968 1.00 0.00 C ATOM 617 OE1 GLU A 33 -4.760 0.498 14.326 1.00 0.00 O ATOM 618 OE2 GLU A 33 -6.781 1.239 14.771 1.00 0.00 O ATOM 0 H GLU A 33 -5.394 1.883 9.757 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.516 1.603 11.906 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.767 -0.107 10.779 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.847 -0.558 12.200 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.007 2.183 12.229 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.163 0.866 12.264 1.00 0.00 H new ATOM 625 N VAL A 34 -3.205 -0.217 9.209 1.00 0.00 N ATOM 626 CA VAL A 34 -2.334 -1.125 8.472 1.00 0.00 C ATOM 627 C VAL A 34 -1.074 -0.398 8.016 1.00 0.00 C ATOM 628 O VAL A 34 0.027 -0.945 8.071 1.00 0.00 O ATOM 629 CB VAL A 34 -3.069 -1.723 7.247 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.137 -2.560 6.384 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.258 -2.555 7.702 1.00 0.00 C ATOM 0 H VAL A 34 -3.987 0.143 8.662 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.054 -1.940 9.140 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.425 -0.893 6.637 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.690 -2.962 5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.319 -1.937 6.022 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.733 -3.382 6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.766 -2.970 6.832 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.911 -3.367 8.341 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.950 -1.925 8.260 1.00 0.00 H new ATOM 641 N ALA A 35 -1.248 0.838 7.566 1.00 0.00 N ATOM 642 CA ALA A 35 -0.128 1.645 7.097 1.00 0.00 C ATOM 643 C ALA A 35 0.904 1.886 8.197 1.00 0.00 C ATOM 644 O ALA A 35 2.094 2.036 7.921 1.00 0.00 O ATOM 645 CB ALA A 35 -0.626 2.973 6.557 1.00 0.00 C ATOM 0 H ALA A 35 -2.154 1.304 7.516 1.00 0.00 H new ATOM 0 HA ALA A 35 0.362 1.087 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.221 3.565 6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.309 2.795 5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.148 3.514 7.346 1.00 0.00 H new ATOM 651 N LYS A 36 0.440 1.950 9.440 1.00 0.00 N ATOM 652 CA LYS A 36 1.324 2.207 10.573 1.00 0.00 C ATOM 653 C LYS A 36 1.937 0.929 11.144 1.00 0.00 C ATOM 654 O LYS A 36 2.944 0.984 11.849 1.00 0.00 O ATOM 655 CB LYS A 36 0.559 2.943 11.671 1.00 0.00 C ATOM 656 CG LYS A 36 -0.526 2.103 12.323 1.00 0.00 C ATOM 657 CD LYS A 36 -1.258 2.881 13.404 1.00 0.00 C ATOM 658 CE LYS A 36 -0.371 3.125 14.613 1.00 0.00 C ATOM 659 NZ LYS A 36 -1.016 4.031 15.604 1.00 0.00 N ATOM 0 H LYS A 36 -0.541 1.828 9.689 1.00 0.00 H new ATOM 0 HA LYS A 36 2.144 2.824 10.205 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.263 3.270 12.436 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.108 3.841 11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.237 1.774 11.565 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.083 1.206 12.756 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.596 3.836 13.001 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.148 2.331 13.710 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.138 2.173 15.090 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.575 3.558 14.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.378 4.171 16.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.215 4.949 15.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.906 3.606 15.935 1.00 0.00 H new ATOM 673 N LYS A 37 1.333 -0.218 10.855 1.00 0.00 N ATOM 674 CA LYS A 37 1.844 -1.486 11.370 1.00 0.00 C ATOM 675 C LYS A 37 2.545 -2.290 10.282 1.00 0.00 C ATOM 676 O LYS A 37 3.382 -3.144 10.572 1.00 0.00 O ATOM 677 CB LYS A 37 0.711 -2.312 11.992 1.00 0.00 C ATOM 678 CG LYS A 37 -0.249 -2.911 10.975 1.00 0.00 C ATOM 679 CD LYS A 37 -1.027 -4.079 11.563 1.00 0.00 C ATOM 680 CE LYS A 37 -2.466 -3.695 11.872 1.00 0.00 C ATOM 681 NZ LYS A 37 -2.821 -3.964 13.293 1.00 0.00 N ATOM 0 H LYS A 37 0.499 -0.298 10.274 1.00 0.00 H new ATOM 0 HA LYS A 37 2.578 -1.255 12.142 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.145 -3.117 12.584 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.148 -1.679 12.678 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.944 -2.144 10.634 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.309 -3.247 10.101 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.015 -4.914 10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.537 -4.421 12.475 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.614 -2.637 11.655 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.138 -4.251 11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.810 -3.689 13.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.705 -4.978 13.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.197 -3.414 13.917 1.00 0.00 H new ATOM 695 N CYS A 38 2.196 -2.021 9.030 1.00 0.00 N ATOM 696 CA CYS A 38 2.792 -2.730 7.908 1.00 0.00 C ATOM 697 C CYS A 38 3.900 -1.908 7.260 1.00 0.00 C ATOM 698 O CYS A 38 4.848 -2.462 6.703 1.00 0.00 O ATOM 699 CB CYS A 38 1.717 -3.085 6.884 1.00 0.00 C ATOM 700 SG CYS A 38 0.352 -4.046 7.578 1.00 0.00 S ATOM 0 H CYS A 38 1.505 -1.318 8.768 1.00 0.00 H new ATOM 0 HA CYS A 38 3.240 -3.650 8.284 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.321 -2.166 6.451 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.173 -3.650 6.071 1.00 0.00 H new ATOM 0 HG CYS A 38 0.678 -5.304 7.608 1.00 0.00 H new ATOM 706 N GLY A 39 3.792 -0.584 7.350 1.00 0.00 N ATOM 707 CA GLY A 39 4.814 0.274 6.776 1.00 0.00 C ATOM 708 C GLY A 39 4.314 1.139 5.637 1.00 0.00 C ATOM 709 O GLY A 39 5.107 1.635 4.836 1.00 0.00 O ATOM 0 H GLY A 39 3.022 -0.094 7.806 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.218 0.917 7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.636 -0.345 6.417 1.00 0.00 H new ATOM 713 N ILE A 40 3.005 1.341 5.567 1.00 0.00 N ATOM 714 CA ILE A 40 2.424 2.176 4.522 1.00 0.00 C ATOM 715 C ILE A 40 1.968 3.510 5.111 1.00 0.00 C ATOM 716 O ILE A 40 2.315 3.842 6.244 1.00 0.00 O ATOM 717 CB ILE A 40 1.231 1.492 3.810 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.099 0.023 4.217 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.383 1.595 2.298 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.111 -0.653 3.610 1.00 0.00 C ATOM 0 H ILE A 40 2.328 0.941 6.217 1.00 0.00 H new ATOM 0 HA ILE A 40 3.202 2.340 3.777 1.00 0.00 H new ATOM 0 HB ILE A 40 0.325 2.013 4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.998 -0.514 3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.038 -0.043 5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.536 1.109 1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.415 2.645 2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.307 1.105 1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.149 -1.692 3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.016 -0.138 3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.041 -0.616 2.523 1.00 0.00 H new ATOM 732 N THR A 41 1.194 4.271 4.347 1.00 0.00 N ATOM 733 CA THR A 41 0.705 5.563 4.818 1.00 0.00 C ATOM 734 C THR A 41 -0.709 5.835 4.309 1.00 0.00 C ATOM 735 O THR A 41 -1.125 5.290 3.286 1.00 0.00 O ATOM 736 CB THR A 41 1.648 6.687 4.377 1.00 0.00 C ATOM 737 OG1 THR A 41 2.827 6.157 3.795 1.00 0.00 O ATOM 738 CG2 THR A 41 2.068 7.595 5.512 1.00 0.00 C ATOM 0 H THR A 41 0.893 4.020 3.406 1.00 0.00 H new ATOM 0 HA THR A 41 0.676 5.532 5.907 1.00 0.00 H new ATOM 0 HB THR A 41 1.079 7.272 3.654 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.414 6.891 3.519 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.735 8.369 5.131 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.186 8.060 5.951 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.587 7.011 6.272 1.00 0.00 H new ATOM 746 N PRO A 42 -1.468 6.684 5.023 1.00 0.00 N ATOM 747 CA PRO A 42 -2.842 7.030 4.643 1.00 0.00 C ATOM 748 C PRO A 42 -2.958 7.437 3.178 1.00 0.00 C ATOM 749 O PRO A 42 -4.019 7.301 2.571 1.00 0.00 O ATOM 750 CB PRO A 42 -3.173 8.213 5.554 1.00 0.00 C ATOM 751 CG PRO A 42 -2.312 8.018 6.753 1.00 0.00 C ATOM 752 CD PRO A 42 -1.045 7.376 6.256 1.00 0.00 C ATOM 0 HA PRO A 42 -3.520 6.184 4.755 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.960 9.163 5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.229 8.223 5.822 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.101 8.970 7.241 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.807 7.385 7.490 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.272 8.118 6.055 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.635 6.679 6.987 1.00 0.00 H new ATOM 760 N LEU A 43 -1.861 7.935 2.618 1.00 0.00 N ATOM 761 CA LEU A 43 -1.838 8.358 1.221 1.00 0.00 C ATOM 762 C LEU A 43 -1.457 7.196 0.310 1.00 0.00 C ATOM 763 O LEU A 43 -1.846 7.150 -0.861 1.00 0.00 O ATOM 764 CB LEU A 43 -0.851 9.513 1.033 1.00 0.00 C ATOM 765 CG LEU A 43 -1.180 10.464 -0.118 1.00 0.00 C ATOM 766 CD1 LEU A 43 -1.986 11.651 0.385 1.00 0.00 C ATOM 767 CD2 LEU A 43 0.095 10.934 -0.802 1.00 0.00 C ATOM 0 H LEU A 43 -0.975 8.056 3.109 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.838 8.696 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.807 10.088 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.143 9.098 0.868 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.783 9.925 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.211 12.317 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.917 11.297 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.409 12.191 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.158 11.610 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.724 11.456 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.634 10.073 -1.197 1.00 0.00 H new ATOM 779 N GLN A 44 -0.703 6.248 0.858 1.00 0.00 N ATOM 780 CA GLN A 44 -0.283 5.082 0.099 1.00 0.00 C ATOM 781 C GLN A 44 -1.396 4.052 0.081 1.00 0.00 C ATOM 782 O GLN A 44 -1.890 3.673 -0.971 1.00 0.00 O ATOM 783 CB GLN A 44 0.986 4.473 0.698 1.00 0.00 C ATOM 784 CG GLN A 44 1.960 5.502 1.243 1.00 0.00 C ATOM 785 CD GLN A 44 2.452 6.461 0.177 1.00 0.00 C ATOM 786 OE1 GLN A 44 2.959 6.044 -0.864 1.00 0.00 O ATOM 787 NE2 GLN A 44 2.305 7.756 0.433 1.00 0.00 N ATOM 0 H GLN A 44 -0.373 6.267 1.823 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.064 5.393 -0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.707 3.790 1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.488 3.879 -0.066 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.477 6.067 2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.813 4.990 1.687 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.879 8.057 1.309 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.618 8.449 -0.247 1.00 0.00 H new ATOM 796 N VAL A 45 -1.795 3.615 1.264 1.00 0.00 N ATOM 797 CA VAL A 45 -2.860 2.632 1.405 1.00 0.00 C ATOM 798 C VAL A 45 -3.963 2.828 0.375 1.00 0.00 C ATOM 799 O VAL A 45 -4.552 1.866 -0.102 1.00 0.00 O ATOM 800 CB VAL A 45 -3.471 2.711 2.803 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.447 2.282 3.831 1.00 0.00 C ATOM 802 CG2 VAL A 45 -3.964 4.123 3.087 1.00 0.00 C ATOM 0 H VAL A 45 -1.394 3.928 2.148 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.410 1.653 1.243 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.327 2.038 2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.886 2.339 4.827 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.137 1.257 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.580 2.941 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.397 4.163 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.128 4.820 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.721 4.399 2.353 1.00 0.00 H new ATOM 812 N ARG A 46 -4.238 4.072 0.027 1.00 0.00 N ATOM 813 CA ARG A 46 -5.269 4.356 -0.956 1.00 0.00 C ATOM 814 C ARG A 46 -4.756 4.115 -2.373 1.00 0.00 C ATOM 815 O ARG A 46 -5.269 3.248 -3.074 1.00 0.00 O ATOM 816 CB ARG A 46 -5.788 5.788 -0.808 1.00 0.00 C ATOM 817 CG ARG A 46 -4.715 6.806 -0.464 1.00 0.00 C ATOM 818 CD ARG A 46 -4.846 8.063 -1.310 1.00 0.00 C ATOM 819 NE ARG A 46 -6.217 8.569 -1.323 1.00 0.00 N ATOM 820 CZ ARG A 46 -6.607 9.638 -2.012 1.00 0.00 C ATOM 821 NH1 ARG A 46 -5.734 10.317 -2.746 1.00 0.00 N ATOM 822 NH2 ARG A 46 -7.872 10.031 -1.965 1.00 0.00 N ATOM 0 H ARG A 46 -3.768 4.894 0.405 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.098 3.673 -0.774 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.271 6.086 -1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.553 5.807 -0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.786 7.068 0.592 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.730 6.364 -0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.178 8.833 -0.923 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.528 7.849 -2.330 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.917 8.073 -0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.759 10.020 -2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.038 11.136 -3.272 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.546 9.514 -1.401 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.171 10.851 -2.493 1.00 0.00 H new ATOM 836 N VAL A 47 -3.742 4.876 -2.787 1.00 0.00 N ATOM 837 CA VAL A 47 -3.174 4.731 -4.127 1.00 0.00 C ATOM 838 C VAL A 47 -2.401 3.423 -4.273 1.00 0.00 C ATOM 839 O VAL A 47 -2.563 2.692 -5.250 1.00 0.00 O ATOM 840 CB VAL A 47 -2.239 5.909 -4.458 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.955 7.226 -4.215 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.956 5.836 -3.636 1.00 0.00 C ATOM 0 H VAL A 47 -3.299 5.596 -2.216 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.011 4.723 -4.826 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.965 5.846 -5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.286 8.053 -4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.839 7.282 -4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.254 7.290 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.313 6.679 -3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.201 5.872 -2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.435 4.904 -3.856 1.00 0.00 H new ATOM 852 N TRP A 48 -1.562 3.143 -3.291 1.00 0.00 N ATOM 853 CA TRP A 48 -0.753 1.940 -3.280 1.00 0.00 C ATOM 854 C TRP A 48 -1.635 0.698 -3.388 1.00 0.00 C ATOM 855 O TRP A 48 -1.375 -0.180 -4.210 1.00 0.00 O ATOM 856 CB TRP A 48 0.100 1.909 -2.008 1.00 0.00 C ATOM 857 CG TRP A 48 1.545 1.600 -2.260 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.548 2.501 -2.476 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.151 0.306 -2.316 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.741 1.845 -2.663 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.523 0.496 -2.568 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.668 -0.995 -2.177 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.415 -0.569 -2.683 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.552 -2.051 -2.290 1.00 0.00 C ATOM 865 CH2 TRP A 48 3.911 -1.833 -2.539 1.00 0.00 C ATOM 0 H TRP A 48 -1.423 3.745 -2.479 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.088 1.944 -4.144 1.00 0.00 H new ATOM 0 HB2 TRP A 48 0.026 2.874 -1.508 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.308 1.164 -1.325 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.422 3.573 -2.497 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.641 2.290 -2.843 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.621 -1.174 -1.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.464 -0.403 -2.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.187 -3.062 -2.184 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.576 -2.680 -2.619 1.00 0.00 H new ATOM 876 N PHE A 49 -2.689 0.629 -2.572 1.00 0.00 N ATOM 877 CA PHE A 49 -3.595 -0.515 -2.622 1.00 0.00 C ATOM 878 C PHE A 49 -4.334 -0.566 -3.955 1.00 0.00 C ATOM 879 O PHE A 49 -4.658 -1.642 -4.442 1.00 0.00 O ATOM 880 CB PHE A 49 -4.616 -0.475 -1.482 1.00 0.00 C ATOM 881 CG PHE A 49 -4.036 -0.697 -0.109 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.701 -1.035 0.068 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.840 -0.561 1.012 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.185 -1.234 1.335 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.328 -0.758 2.279 1.00 0.00 C ATOM 886 CZ PHE A 49 -3.000 -1.094 2.441 1.00 0.00 C ATOM 0 H PHE A 49 -2.932 1.339 -1.881 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.983 -1.410 -2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.119 0.492 -1.497 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.377 -1.233 -1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.059 -1.144 -0.793 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.881 -0.297 0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.145 -1.499 1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.967 -0.649 3.143 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.598 -1.247 3.432 1.00 0.00 H new ATOM 896 N ILE A 50 -4.607 0.595 -4.550 1.00 0.00 N ATOM 897 CA ILE A 50 -5.313 0.630 -5.833 1.00 0.00 C ATOM 898 C ILE A 50 -4.660 -0.327 -6.832 1.00 0.00 C ATOM 899 O ILE A 50 -5.328 -1.172 -7.430 1.00 0.00 O ATOM 900 CB ILE A 50 -5.351 2.056 -6.441 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.244 2.997 -5.622 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.831 2.014 -7.887 1.00 0.00 C ATOM 903 CD1 ILE A 50 -7.398 2.313 -4.913 1.00 0.00 C ATOM 0 H ILE A 50 -4.356 1.509 -4.174 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.338 0.317 -5.637 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.333 2.445 -6.414 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.629 3.506 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.645 3.764 -6.284 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.850 3.025 -8.294 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.153 1.398 -8.478 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.834 1.589 -7.925 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.975 3.054 -4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.040 1.828 -5.648 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.009 1.566 -4.222 1.00 0.00 H new ATOM 915 N ASN A 51 -3.350 -0.185 -7.002 1.00 0.00 N ATOM 916 CA ASN A 51 -2.600 -1.031 -7.925 1.00 0.00 C ATOM 917 C ASN A 51 -2.326 -2.404 -7.315 1.00 0.00 C ATOM 918 O ASN A 51 -2.290 -3.411 -8.022 1.00 0.00 O ATOM 919 CB ASN A 51 -1.279 -0.360 -8.305 1.00 0.00 C ATOM 920 CG ASN A 51 -1.474 1.063 -8.793 1.00 0.00 C ATOM 921 OD1 ASN A 51 -1.795 1.294 -9.959 1.00 0.00 O ATOM 922 ND2 ASN A 51 -1.277 2.027 -7.901 1.00 0.00 N ATOM 0 H ASN A 51 -2.784 0.509 -6.512 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.205 -1.167 -8.821 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.614 -0.357 -7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.788 -0.944 -9.083 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.391 3.004 -8.172 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.012 1.791 -6.945 1.00 0.00 H new ATOM 929 N LYS A 52 -2.131 -2.437 -6.000 1.00 0.00 N ATOM 930 CA LYS A 52 -1.859 -3.689 -5.298 1.00 0.00 C ATOM 931 C LYS A 52 -3.138 -4.282 -4.713 1.00 0.00 C ATOM 932 O LYS A 52 -3.091 -5.062 -3.763 1.00 0.00 O ATOM 933 CB LYS A 52 -0.838 -3.458 -4.182 1.00 0.00 C ATOM 934 CG LYS A 52 0.609 -3.590 -4.632 1.00 0.00 C ATOM 935 CD LYS A 52 0.862 -4.909 -5.349 1.00 0.00 C ATOM 936 CE LYS A 52 2.348 -5.161 -5.547 1.00 0.00 C ATOM 937 NZ LYS A 52 2.661 -6.614 -5.652 1.00 0.00 N ATOM 0 H LYS A 52 -2.156 -1.613 -5.399 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.451 -4.397 -6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.989 -2.462 -3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.025 -4.171 -3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.860 -2.762 -5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.267 -3.515 -3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.427 -5.726 -4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.362 -4.900 -6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.684 -4.652 -6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.903 -4.730 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.685 -6.740 -5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.364 -7.097 -4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.153 -7.021 -6.463 1.00 0.00 H new ATOM 951 N ARG A 53 -4.278 -3.903 -5.282 1.00 0.00 N ATOM 952 CA ARG A 53 -5.568 -4.390 -4.813 1.00 0.00 C ATOM 953 C ARG A 53 -6.711 -3.826 -5.650 1.00 0.00 C ATOM 954 O ARG A 53 -7.819 -3.651 -5.147 1.00 0.00 O ATOM 955 CB ARG A 53 -5.780 -4.011 -3.348 1.00 0.00 C ATOM 956 CG ARG A 53 -6.958 -4.725 -2.710 1.00 0.00 C ATOM 957 CD ARG A 53 -7.702 -3.819 -1.741 1.00 0.00 C ATOM 958 NE ARG A 53 -8.308 -2.675 -2.420 1.00 0.00 N ATOM 959 CZ ARG A 53 -9.371 -2.015 -1.964 1.00 0.00 C ATOM 960 NH1 ARG A 53 -9.948 -2.375 -0.824 1.00 0.00 N ATOM 961 NH2 ARG A 53 -9.858 -0.989 -2.650 1.00 0.00 N ATOM 0 H ARG A 53 -4.333 -3.258 -6.071 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.565 -5.475 -4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.875 -4.242 -2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.934 -2.934 -3.277 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.641 -5.067 -3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.605 -5.611 -2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.477 -4.391 -1.232 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.013 -3.463 -0.975 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.891 -2.363 -3.297 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.577 -3.162 -0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.762 -1.865 -0.481 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.418 -0.706 -3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.672 -0.483 -2.302 1.00 0.00 H new ATOM 975 N MET A 54 -6.445 -3.542 -6.924 1.00 0.00 N ATOM 976 CA MET A 54 -7.469 -3.002 -7.815 1.00 0.00 C ATOM 977 C MET A 54 -8.723 -3.875 -7.785 1.00 0.00 C ATOM 978 O MET A 54 -8.897 -4.760 -8.624 1.00 0.00 O ATOM 979 CB MET A 54 -6.930 -2.902 -9.244 1.00 0.00 C ATOM 980 CG MET A 54 -7.207 -1.563 -9.908 1.00 0.00 C ATOM 981 SD MET A 54 -7.348 -1.692 -11.702 1.00 0.00 S ATOM 982 CE MET A 54 -8.782 -2.754 -11.854 1.00 0.00 C ATOM 0 H MET A 54 -5.533 -3.676 -7.360 1.00 0.00 H new ATOM 0 HA MET A 54 -7.734 -2.003 -7.468 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.854 -3.075 -9.230 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.373 -3.695 -9.846 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.129 -1.146 -9.504 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.406 -0.866 -9.660 1.00 0.00 H new ATOM 0 HE1 MET A 54 -9.322 -2.508 -12.768 1.00 0.00 H new ATOM 0 HE2 MET A 54 -8.461 -3.795 -11.891 1.00 0.00 H new ATOM 0 HE3 MET A 54 -9.437 -2.607 -10.995 1.00 0.00 H new