USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 492 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 11 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.318 K(o=-0.32,f=-3!) USER MOD Single : A 18 THR OG1 : rot 155:sc= 0.00729 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc=-0.00918 K(o=-0.0092,f=-1.2) USER MOD Single : A 31 THR OG1 : rot -59:sc= -0.0651! USER MOD Single : A 38 GLN : amide:sc= -0.0714 X(o=-0.071,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -2.55 F(o=-4.9!,f=-2.5) USER MOD Single : A 54 SER OG : rot 60:sc= -5.09! USER MOD Single : A 55 LYS NZ :NH3+ 147:sc= -3.13! (180deg=-6.18!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0051 USER MOD Single : A 60 GLN : amide:sc= -0.0677 X(o=-0.068,f=-0.0067) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N GLN A 11 4.535 11.072 -4.398 1.00 0.00 N ATOM 191 CA GLN A 11 3.898 11.833 -3.331 1.00 0.00 C ATOM 192 C GLN A 11 3.513 10.931 -2.165 1.00 0.00 C ATOM 193 O GLN A 11 3.717 11.287 -1.004 1.00 0.00 O ATOM 194 CB GLN A 11 2.656 12.552 -3.862 1.00 0.00 C ATOM 195 CG GLN A 11 2.898 14.012 -4.213 1.00 0.00 C ATOM 196 CD GLN A 11 2.014 14.956 -3.422 1.00 0.00 C ATOM 197 OE1 GLN A 11 0.792 14.809 -3.401 1.00 0.00 O ATOM 198 NE2 GLN A 11 2.629 15.934 -2.768 1.00 0.00 N ATOM 0 HA GLN A 11 4.616 12.570 -2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.296 12.029 -4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.865 12.494 -3.114 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.944 14.258 -4.027 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.720 14.160 -5.278 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.645 16.018 -2.813 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.086 16.601 -2.220 1.00 0.00 H new ATOM 207 N ILE A 12 2.898 9.794 -2.470 1.00 0.00 N ATOM 208 CA ILE A 12 2.520 8.847 -1.435 1.00 0.00 C ATOM 209 C ILE A 12 3.754 8.099 -0.940 1.00 0.00 C ATOM 210 O ILE A 12 3.858 7.753 0.236 1.00 0.00 O ATOM 211 CB ILE A 12 1.447 7.823 -1.892 1.00 0.00 C ATOM 212 CG1 ILE A 12 1.078 7.954 -3.365 1.00 0.00 C ATOM 213 CG2 ILE A 12 0.211 7.945 -1.021 1.00 0.00 C ATOM 214 CD1 ILE A 12 -0.195 7.226 -3.771 1.00 0.00 C ATOM 0 H ILE A 12 2.653 9.510 -3.418 1.00 0.00 H new ATOM 0 HA ILE A 12 2.075 9.434 -0.631 1.00 0.00 H new ATOM 0 HB ILE A 12 1.885 6.832 -1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.967 9.012 -3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.904 7.576 -3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.537 7.223 -1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.477 7.747 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.196 8.953 -1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.376 7.376 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.085 6.161 -3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.037 7.619 -3.200 1.00 0.00 H new ATOM 226 N MET A 13 4.695 7.870 -1.850 1.00 0.00 N ATOM 227 CA MET A 13 5.928 7.168 -1.519 1.00 0.00 C ATOM 228 C MET A 13 6.620 7.827 -0.334 1.00 0.00 C ATOM 229 O MET A 13 7.347 7.177 0.417 1.00 0.00 O ATOM 230 CB MET A 13 6.871 7.154 -2.724 1.00 0.00 C ATOM 231 CG MET A 13 8.195 6.459 -2.454 1.00 0.00 C ATOM 232 SD MET A 13 9.616 7.448 -2.957 1.00 0.00 S ATOM 233 CE MET A 13 10.625 6.204 -3.760 1.00 0.00 C ATOM 0 H MET A 13 4.626 8.162 -2.825 1.00 0.00 H new ATOM 0 HA MET A 13 5.674 6.142 -1.251 1.00 0.00 H new ATOM 0 HB2 MET A 13 6.374 6.658 -3.558 1.00 0.00 H new ATOM 0 HB3 MET A 13 7.066 8.181 -3.034 1.00 0.00 H new ATOM 0 HG2 MET A 13 8.272 6.234 -1.390 1.00 0.00 H new ATOM 0 HG3 MET A 13 8.215 5.506 -2.983 1.00 0.00 H new ATOM 0 HE1 MET A 13 11.544 6.662 -4.127 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.871 5.418 -3.046 1.00 0.00 H new ATOM 0 HE3 MET A 13 10.075 5.774 -4.597 1.00 0.00 H new ATOM 243 N MET A 14 6.415 9.130 -0.199 1.00 0.00 N ATOM 244 CA MET A 14 7.024 9.897 0.872 1.00 0.00 C ATOM 245 C MET A 14 6.659 9.321 2.243 1.00 0.00 C ATOM 246 O MET A 14 7.424 9.460 3.199 1.00 0.00 O ATOM 247 CB MET A 14 6.590 11.368 0.750 1.00 0.00 C ATOM 248 CG MET A 14 6.711 12.174 2.032 1.00 0.00 C ATOM 249 SD MET A 14 6.540 13.948 1.759 1.00 0.00 S ATOM 250 CE MET A 14 7.908 14.575 2.731 1.00 0.00 C ATOM 0 H MET A 14 5.826 9.679 -0.825 1.00 0.00 H new ATOM 0 HA MET A 14 8.109 9.838 0.782 1.00 0.00 H new ATOM 0 HB2 MET A 14 7.191 11.847 -0.022 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.554 11.400 0.413 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.948 11.844 2.737 1.00 0.00 H new ATOM 0 HG3 MET A 14 7.678 11.973 2.492 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.935 15.662 2.662 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.779 14.280 3.773 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.843 14.164 2.350 1.00 0.00 H new ATOM 260 N GLN A 15 5.491 8.689 2.347 1.00 0.00 N ATOM 261 CA GLN A 15 5.056 8.129 3.624 1.00 0.00 C ATOM 262 C GLN A 15 5.312 6.627 3.706 1.00 0.00 C ATOM 263 O GLN A 15 5.851 6.143 4.700 1.00 0.00 O ATOM 264 CB GLN A 15 3.569 8.411 3.844 1.00 0.00 C ATOM 265 CG GLN A 15 3.260 9.875 4.110 1.00 0.00 C ATOM 266 CD GLN A 15 2.509 10.089 5.410 1.00 0.00 C ATOM 267 OE1 GLN A 15 2.124 9.131 6.083 1.00 0.00 O ATOM 268 NE2 GLN A 15 2.296 11.349 5.771 1.00 0.00 N ATOM 0 H GLN A 15 4.838 8.553 1.575 1.00 0.00 H new ATOM 0 HA GLN A 15 5.642 8.611 4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.012 8.085 2.966 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.215 7.815 4.685 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.192 10.440 4.137 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.670 10.273 3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.633 12.112 5.183 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.796 11.554 6.636 1.00 0.00 H new ATOM 277 N ILE A 16 4.941 5.893 2.662 1.00 0.00 N ATOM 278 CA ILE A 16 5.148 4.447 2.647 1.00 0.00 C ATOM 279 C ILE A 16 4.550 3.812 1.385 1.00 0.00 C ATOM 280 O ILE A 16 3.626 3.002 1.461 1.00 0.00 O ATOM 281 CB ILE A 16 4.555 3.799 3.923 1.00 0.00 C ATOM 282 CG1 ILE A 16 4.534 2.268 3.825 1.00 0.00 C ATOM 283 CG2 ILE A 16 3.164 4.349 4.190 1.00 0.00 C ATOM 284 CD1 ILE A 16 4.751 1.572 5.151 1.00 0.00 C ATOM 0 H ILE A 16 4.500 6.269 1.823 1.00 0.00 H new ATOM 0 HA ILE A 16 6.222 4.262 2.634 1.00 0.00 H new ATOM 0 HB ILE A 16 5.200 4.056 4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.576 1.952 3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.305 1.947 3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.756 3.887 5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.220 5.428 4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.516 4.127 3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.723 0.492 5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.721 1.858 5.558 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.965 1.864 5.848 1.00 0.00 H new ATOM 296 N LEU A 17 5.053 4.209 0.223 1.00 0.00 N ATOM 297 CA LEU A 17 4.565 3.659 -1.037 1.00 0.00 C ATOM 298 C LEU A 17 5.713 3.477 -2.027 1.00 0.00 C ATOM 299 O LEU A 17 6.497 4.395 -2.264 1.00 0.00 O ATOM 300 CB LEU A 17 3.468 4.569 -1.617 1.00 0.00 C ATOM 301 CG LEU A 17 3.180 4.437 -3.120 1.00 0.00 C ATOM 302 CD1 LEU A 17 4.091 5.357 -3.914 1.00 0.00 C ATOM 303 CD2 LEU A 17 3.319 2.998 -3.594 1.00 0.00 C ATOM 0 H LEU A 17 5.793 4.904 0.126 1.00 0.00 H new ATOM 0 HA LEU A 17 4.133 2.676 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.543 4.373 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.743 5.604 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 17 2.146 4.736 -3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.876 5.253 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.921 6.389 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.131 5.090 -3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.108 2.945 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.335 2.650 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.614 2.367 -3.053 1.00 0.00 H new ATOM 315 N THR A 18 5.795 2.283 -2.606 1.00 0.00 N ATOM 316 CA THR A 18 6.830 1.967 -3.582 1.00 0.00 C ATOM 317 C THR A 18 6.209 1.645 -4.940 1.00 0.00 C ATOM 318 O THR A 18 5.116 1.083 -5.013 1.00 0.00 O ATOM 319 CB THR A 18 7.668 0.782 -3.097 1.00 0.00 C ATOM 320 OG1 THR A 18 6.839 -0.327 -2.800 1.00 0.00 O ATOM 321 CG2 THR A 18 8.486 1.090 -1.863 1.00 0.00 C ATOM 0 H THR A 18 5.152 1.515 -2.414 1.00 0.00 H new ATOM 0 HA THR A 18 7.475 2.838 -3.693 1.00 0.00 H new ATOM 0 HB THR A 18 8.352 0.557 -3.916 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.355 -1.155 -2.890 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.055 0.207 -1.574 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.172 1.910 -2.076 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.821 1.376 -1.048 1.00 0.00 H new ATOM 329 N PRO A 19 6.897 2.002 -6.038 1.00 0.00 N ATOM 330 CA PRO A 19 6.409 1.752 -7.397 1.00 0.00 C ATOM 331 C PRO A 19 5.983 0.300 -7.603 1.00 0.00 C ATOM 332 O PRO A 19 5.133 0.006 -8.443 1.00 0.00 O ATOM 333 CB PRO A 19 7.613 2.088 -8.292 1.00 0.00 C ATOM 334 CG PRO A 19 8.775 2.244 -7.366 1.00 0.00 C ATOM 335 CD PRO A 19 8.202 2.671 -6.047 1.00 0.00 C ATOM 0 HA PRO A 19 5.523 2.346 -7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.795 1.295 -9.018 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.437 3.003 -8.857 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.323 1.307 -7.268 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.478 2.986 -7.744 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.826 2.354 -5.211 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.103 3.754 -5.979 1.00 0.00 H new ATOM 343 N GLU A 20 6.578 -0.603 -6.830 1.00 0.00 N ATOM 344 CA GLU A 20 6.261 -2.022 -6.931 1.00 0.00 C ATOM 345 C GLU A 20 4.860 -2.310 -6.399 1.00 0.00 C ATOM 346 O GLU A 20 4.169 -3.201 -6.894 1.00 0.00 O ATOM 347 CB GLU A 20 7.290 -2.850 -6.159 1.00 0.00 C ATOM 348 CG GLU A 20 8.138 -3.748 -7.046 1.00 0.00 C ATOM 349 CD GLU A 20 7.436 -5.043 -7.404 1.00 0.00 C ATOM 350 OE1 GLU A 20 6.807 -5.644 -6.509 1.00 0.00 O ATOM 351 OE2 GLU A 20 7.512 -5.454 -8.581 1.00 0.00 O ATOM 0 H GLU A 20 7.282 -0.377 -6.127 1.00 0.00 H new ATOM 0 HA GLU A 20 6.293 -2.300 -7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.945 -2.177 -5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.771 -3.465 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.394 -3.213 -7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.075 -3.975 -6.537 1.00 0.00 H new ATOM 358 N ALA A 21 4.450 -1.555 -5.387 1.00 0.00 N ATOM 359 CA ALA A 21 3.139 -1.739 -4.777 1.00 0.00 C ATOM 360 C ALA A 21 2.019 -1.624 -5.805 1.00 0.00 C ATOM 361 O ALA A 21 1.141 -2.483 -5.878 1.00 0.00 O ATOM 362 CB ALA A 21 2.932 -0.727 -3.662 1.00 0.00 C ATOM 0 H ALA A 21 5.007 -0.809 -4.971 1.00 0.00 H new ATOM 0 HA ALA A 21 3.106 -2.746 -4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.949 -0.875 -3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.701 -0.861 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.997 0.282 -4.070 1.00 0.00 H new ATOM 368 N ARG A 22 2.048 -0.554 -6.592 1.00 0.00 N ATOM 369 CA ARG A 22 1.021 -0.320 -7.600 1.00 0.00 C ATOM 370 C ARG A 22 1.083 -1.369 -8.706 1.00 0.00 C ATOM 371 O ARG A 22 0.060 -1.937 -9.093 1.00 0.00 O ATOM 372 CB ARG A 22 1.176 1.081 -8.197 1.00 0.00 C ATOM 373 CG ARG A 22 0.399 2.150 -7.445 1.00 0.00 C ATOM 374 CD ARG A 22 -0.053 3.266 -8.373 1.00 0.00 C ATOM 375 NE ARG A 22 -1.322 2.956 -9.024 1.00 0.00 N ATOM 376 CZ ARG A 22 -2.077 3.863 -9.635 1.00 0.00 C ATOM 377 NH1 ARG A 22 -1.690 5.132 -9.677 1.00 0.00 N ATOM 378 NH2 ARG A 22 -3.218 3.503 -10.205 1.00 0.00 N ATOM 0 H ARG A 22 2.771 0.164 -6.551 1.00 0.00 H new ATOM 0 HA ARG A 22 0.049 -0.397 -7.113 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.233 1.349 -8.205 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.844 1.064 -9.235 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.470 1.700 -6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.022 2.564 -6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.153 4.191 -7.805 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.711 3.439 -9.131 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.647 1.989 -9.009 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.812 5.412 -9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.271 5.827 -10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.518 2.529 -10.175 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.796 4.200 -10.674 1.00 0.00 H new ATOM 392 N SER A 23 2.285 -1.625 -9.209 1.00 0.00 N ATOM 393 CA SER A 23 2.474 -2.602 -10.275 1.00 0.00 C ATOM 394 C SER A 23 2.193 -4.017 -9.780 1.00 0.00 C ATOM 395 O SER A 23 1.609 -4.829 -10.498 1.00 0.00 O ATOM 396 CB SER A 23 3.897 -2.515 -10.829 1.00 0.00 C ATOM 397 OG SER A 23 3.896 -2.527 -12.245 1.00 0.00 O ATOM 0 H SER A 23 3.143 -1.170 -8.896 1.00 0.00 H new ATOM 0 HA SER A 23 1.766 -2.371 -11.071 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.375 -1.603 -10.471 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.487 -3.352 -10.456 1.00 0.00 H new ATOM 0 HG SER A 23 4.818 -2.469 -12.573 1.00 0.00 H new ATOM 403 N ARG A 24 2.615 -4.309 -8.554 1.00 0.00 N ATOM 404 CA ARG A 24 2.406 -5.629 -7.973 1.00 0.00 C ATOM 405 C ARG A 24 0.919 -5.911 -7.796 1.00 0.00 C ATOM 406 O ARG A 24 0.456 -7.026 -8.033 1.00 0.00 O ATOM 407 CB ARG A 24 3.118 -5.739 -6.626 1.00 0.00 C ATOM 408 CG ARG A 24 3.165 -7.158 -6.089 1.00 0.00 C ATOM 409 CD ARG A 24 2.581 -7.247 -4.687 1.00 0.00 C ATOM 410 NE ARG A 24 2.587 -8.617 -4.180 1.00 0.00 N ATOM 411 CZ ARG A 24 3.690 -9.261 -3.812 1.00 0.00 C ATOM 412 NH1 ARG A 24 4.869 -8.661 -3.895 1.00 0.00 N ATOM 413 NH2 ARG A 24 3.614 -10.506 -3.362 1.00 0.00 N ATOM 0 H ARG A 24 3.102 -3.651 -7.946 1.00 0.00 H new ATOM 0 HA ARG A 24 2.824 -6.369 -8.656 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.136 -5.362 -6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.613 -5.100 -5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.612 -7.819 -6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.197 -7.509 -6.077 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.153 -6.608 -4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.559 -6.867 -4.695 1.00 0.00 H new ATOM 0 HE ARG A 24 1.695 -9.107 -4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.931 -7.704 -4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.714 -9.157 -3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.708 -10.971 -3.298 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.461 -10.999 -3.080 1.00 0.00 H new ATOM 427 N LEU A 25 0.177 -4.894 -7.378 1.00 0.00 N ATOM 428 CA LEU A 25 -1.258 -5.032 -7.183 1.00 0.00 C ATOM 429 C LEU A 25 -1.931 -5.460 -8.471 1.00 0.00 C ATOM 430 O LEU A 25 -2.606 -6.487 -8.525 1.00 0.00 O ATOM 431 CB LEU A 25 -1.850 -3.698 -6.730 1.00 0.00 C ATOM 432 CG LEU A 25 -3.260 -3.775 -6.142 1.00 0.00 C ATOM 433 CD1 LEU A 25 -3.211 -4.171 -4.675 1.00 0.00 C ATOM 434 CD2 LEU A 25 -3.976 -2.447 -6.312 1.00 0.00 C ATOM 0 H LEU A 25 0.545 -3.966 -7.168 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.430 -5.792 -6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.187 -3.259 -5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.866 -3.018 -7.582 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.816 -4.541 -6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.225 -4.220 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.736 -5.147 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.638 -3.431 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.978 -2.517 -5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.419 -1.665 -5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.046 -2.205 -7.372 1.00 0.00 H new ATOM 446 N ALA A 26 -1.690 -4.688 -9.518 1.00 0.00 N ATOM 447 CA ALA A 26 -2.250 -4.987 -10.829 1.00 0.00 C ATOM 448 C ALA A 26 -1.904 -6.412 -11.239 1.00 0.00 C ATOM 449 O ALA A 26 -2.678 -7.082 -11.924 1.00 0.00 O ATOM 450 CB ALA A 26 -1.735 -3.995 -11.862 1.00 0.00 C ATOM 0 H ALA A 26 -1.110 -3.849 -9.487 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.335 -4.897 -10.774 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.162 -4.231 -12.837 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.026 -2.985 -11.573 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.648 -4.058 -11.917 1.00 0.00 H new ATOM 456 N ASN A 27 -0.729 -6.862 -10.819 1.00 0.00 N ATOM 457 CA ASN A 27 -0.256 -8.192 -11.112 1.00 0.00 C ATOM 458 C ASN A 27 -0.994 -9.239 -10.291 1.00 0.00 C ATOM 459 O ASN A 27 -1.501 -10.225 -10.824 1.00 0.00 O ATOM 460 CB ASN A 27 1.224 -8.250 -10.772 1.00 0.00 C ATOM 461 CG ASN A 27 2.104 -7.762 -11.905 1.00 0.00 C ATOM 462 OD1 ASN A 27 1.613 -7.301 -12.935 1.00 0.00 O ATOM 463 ND2 ASN A 27 3.415 -7.862 -11.719 1.00 0.00 N ATOM 0 H ASN A 27 -0.080 -6.305 -10.263 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.431 -8.406 -12.166 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.413 -7.646 -9.885 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.495 -9.276 -10.523 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.059 -7.550 -12.446 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.778 -8.251 -10.849 1.00 0.00 H new ATOM 470 N LEU A 28 -1.004 -9.029 -8.982 1.00 0.00 N ATOM 471 CA LEU A 28 -1.615 -9.962 -8.049 1.00 0.00 C ATOM 472 C LEU A 28 -3.073 -10.254 -8.396 1.00 0.00 C ATOM 473 O LEU A 28 -3.600 -11.312 -8.057 1.00 0.00 O ATOM 474 CB LEU A 28 -1.510 -9.402 -6.636 1.00 0.00 C ATOM 475 CG LEU A 28 -0.608 -10.194 -5.687 1.00 0.00 C ATOM 476 CD1 LEU A 28 -1.161 -11.595 -5.474 1.00 0.00 C ATOM 477 CD2 LEU A 28 0.812 -10.255 -6.229 1.00 0.00 C ATOM 0 H LEU A 28 -0.590 -8.209 -8.539 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.077 -10.907 -8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.139 -8.379 -6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.510 -9.355 -6.206 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.586 -9.684 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.508 -12.145 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.160 -11.530 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.212 -12.115 -6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.440 -10.822 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.809 -10.743 -7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.206 -9.244 -6.331 1.00 0.00 H new ATOM 489 N ARG A 29 -3.727 -9.304 -9.049 1.00 0.00 N ATOM 490 CA ARG A 29 -5.136 -9.458 -9.407 1.00 0.00 C ATOM 491 C ARG A 29 -5.377 -10.773 -10.143 1.00 0.00 C ATOM 492 O ARG A 29 -6.460 -11.354 -10.052 1.00 0.00 O ATOM 493 CB ARG A 29 -5.602 -8.284 -10.274 1.00 0.00 C ATOM 494 CG ARG A 29 -5.041 -6.944 -9.833 1.00 0.00 C ATOM 495 CD ARG A 29 -5.796 -5.783 -10.455 1.00 0.00 C ATOM 496 NE ARG A 29 -5.506 -5.642 -11.879 1.00 0.00 N ATOM 497 CZ ARG A 29 -5.717 -4.525 -12.567 1.00 0.00 C ATOM 498 NH1 ARG A 29 -6.221 -3.457 -11.962 1.00 0.00 N ATOM 499 NH2 ARG A 29 -5.425 -4.474 -13.860 1.00 0.00 N ATOM 0 H ARG A 29 -3.310 -8.421 -9.342 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.713 -9.469 -8.483 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.310 -8.468 -11.308 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.691 -8.237 -10.253 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.091 -6.869 -8.747 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.988 -6.882 -10.109 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.867 -5.931 -10.316 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.532 -4.860 -9.938 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.120 -6.446 -12.373 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.447 -3.493 -10.968 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.383 -2.600 -12.491 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.038 -5.293 -14.328 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.588 -3.615 -14.386 1.00 0.00 H new ATOM 513 N LEU A 30 -4.366 -11.243 -10.864 1.00 0.00 N ATOM 514 CA LEU A 30 -4.483 -12.490 -11.616 1.00 0.00 C ATOM 515 C LEU A 30 -4.488 -13.709 -10.685 1.00 0.00 C ATOM 516 O LEU A 30 -4.789 -14.822 -11.118 1.00 0.00 O ATOM 517 CB LEU A 30 -3.354 -12.586 -12.663 1.00 0.00 C ATOM 518 CG LEU A 30 -2.160 -13.488 -12.311 1.00 0.00 C ATOM 519 CD1 LEU A 30 -1.325 -13.769 -13.550 1.00 0.00 C ATOM 520 CD2 LEU A 30 -1.307 -12.853 -11.223 1.00 0.00 C ATOM 0 H LEU A 30 -3.459 -10.783 -10.945 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.439 -12.486 -12.140 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.786 -12.943 -13.598 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.977 -11.580 -12.850 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.545 -14.434 -11.931 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.484 -14.409 -13.284 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.940 -14.270 -14.297 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.952 -12.830 -13.958 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.468 -13.508 -10.990 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.930 -11.891 -11.571 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.911 -12.704 -10.328 1.00 0.00 H new ATOM 532 N THR A 31 -4.153 -13.500 -9.412 1.00 0.00 N ATOM 533 CA THR A 31 -4.113 -14.596 -8.447 1.00 0.00 C ATOM 534 C THR A 31 -5.439 -14.722 -7.698 1.00 0.00 C ATOM 535 O THR A 31 -6.305 -15.506 -8.083 1.00 0.00 O ATOM 536 CB THR A 31 -2.962 -14.394 -7.457 1.00 0.00 C ATOM 537 OG1 THR A 31 -3.175 -13.242 -6.661 1.00 0.00 O ATOM 538 CG2 THR A 31 -1.615 -14.243 -8.130 1.00 0.00 C ATOM 0 H THR A 31 -3.907 -12.588 -9.028 1.00 0.00 H new ATOM 0 HA THR A 31 -3.947 -15.522 -8.998 1.00 0.00 H new ATOM 0 HB THR A 31 -2.948 -15.296 -6.846 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.249 -12.454 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.844 -14.103 -7.373 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.396 -15.139 -8.710 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.634 -13.378 -8.792 1.00 0.00 H new ATOM 546 N ARG A 32 -5.590 -13.952 -6.623 1.00 0.00 N ATOM 547 CA ARG A 32 -6.809 -13.996 -5.819 1.00 0.00 C ATOM 548 C ARG A 32 -7.487 -12.628 -5.769 1.00 0.00 C ATOM 549 O ARG A 32 -6.831 -11.612 -5.537 1.00 0.00 O ATOM 550 CB ARG A 32 -6.499 -14.456 -4.389 1.00 0.00 C ATOM 551 CG ARG A 32 -5.291 -15.373 -4.274 1.00 0.00 C ATOM 552 CD ARG A 32 -5.038 -15.780 -2.831 1.00 0.00 C ATOM 553 NE ARG A 32 -5.852 -16.925 -2.430 1.00 0.00 N ATOM 554 CZ ARG A 32 -5.707 -18.147 -2.935 1.00 0.00 C ATOM 555 NH1 ARG A 32 -4.786 -18.380 -3.859 1.00 0.00 N ATOM 556 NH2 ARG A 32 -6.486 -19.134 -2.516 1.00 0.00 N ATOM 0 H ARG A 32 -4.887 -13.293 -6.289 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.484 -14.709 -6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.334 -13.578 -3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.372 -14.972 -3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.449 -16.264 -4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.410 -14.868 -4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.983 -16.024 -2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.252 -14.937 -2.174 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.572 -16.779 -1.723 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.187 -17.622 -4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.677 -19.318 -4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.197 -18.957 -1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.375 -20.071 -2.903 1.00 0.00 H new ATOM 570 N PRO A 33 -8.818 -12.584 -5.958 1.00 0.00 N ATOM 571 CA PRO A 33 -9.580 -11.333 -5.886 1.00 0.00 C ATOM 572 C PRO A 33 -9.647 -10.803 -4.457 1.00 0.00 C ATOM 573 O PRO A 33 -9.802 -9.603 -4.231 1.00 0.00 O ATOM 574 CB PRO A 33 -10.971 -11.733 -6.380 1.00 0.00 C ATOM 575 CG PRO A 33 -11.077 -13.184 -6.061 1.00 0.00 C ATOM 576 CD PRO A 33 -9.690 -13.746 -6.213 1.00 0.00 C ATOM 0 HA PRO A 33 -9.128 -10.534 -6.474 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.750 -11.159 -5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.079 -11.553 -7.450 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.450 -13.334 -5.048 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.775 -13.681 -6.734 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.503 -14.552 -5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.530 -14.157 -7.210 1.00 0.00 H new ATOM 584 N ASP A 34 -9.514 -11.715 -3.497 1.00 0.00 N ATOM 585 CA ASP A 34 -9.529 -11.363 -2.082 1.00 0.00 C ATOM 586 C ASP A 34 -8.530 -10.249 -1.799 1.00 0.00 C ATOM 587 O ASP A 34 -8.826 -9.307 -1.063 1.00 0.00 O ATOM 588 CB ASP A 34 -9.204 -12.599 -1.241 1.00 0.00 C ATOM 589 CG ASP A 34 -9.957 -13.830 -1.707 1.00 0.00 C ATOM 590 OD1 ASP A 34 -9.512 -14.461 -2.688 1.00 0.00 O ATOM 591 OD2 ASP A 34 -10.992 -14.160 -1.092 1.00 0.00 O ATOM 0 H ASP A 34 -9.394 -12.712 -3.677 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.523 -11.004 -1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.132 -12.794 -1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.449 -12.400 -0.198 1.00 0.00 H new ATOM 596 N PHE A 35 -7.364 -10.343 -2.419 1.00 0.00 N ATOM 597 CA PHE A 35 -6.324 -9.343 -2.240 1.00 0.00 C ATOM 598 C PHE A 35 -6.743 -8.006 -2.851 1.00 0.00 C ATOM 599 O PHE A 35 -6.815 -6.997 -2.157 1.00 0.00 O ATOM 600 CB PHE A 35 -5.017 -9.856 -2.870 1.00 0.00 C ATOM 601 CG PHE A 35 -4.022 -8.790 -3.245 1.00 0.00 C ATOM 602 CD1 PHE A 35 -3.169 -8.250 -2.298 1.00 0.00 C ATOM 603 CD2 PHE A 35 -3.929 -8.348 -4.554 1.00 0.00 C ATOM 604 CE1 PHE A 35 -2.243 -7.287 -2.650 1.00 0.00 C ATOM 605 CE2 PHE A 35 -3.007 -7.382 -4.911 1.00 0.00 C ATOM 606 CZ PHE A 35 -2.165 -6.849 -3.957 1.00 0.00 C ATOM 0 H PHE A 35 -7.114 -11.103 -3.052 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.164 -9.176 -1.175 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.542 -10.544 -2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.264 -10.430 -3.763 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.228 -8.585 -1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.585 -8.763 -5.305 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.580 -6.877 -1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.946 -7.045 -5.935 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.447 -6.091 -4.232 1.00 0.00 H new ATOM 616 N VAL A 36 -7.081 -8.020 -4.133 1.00 0.00 N ATOM 617 CA VAL A 36 -7.459 -6.795 -4.829 1.00 0.00 C ATOM 618 C VAL A 36 -8.662 -6.114 -4.183 1.00 0.00 C ATOM 619 O VAL A 36 -8.626 -4.921 -3.905 1.00 0.00 O ATOM 620 CB VAL A 36 -7.777 -7.057 -6.313 1.00 0.00 C ATOM 621 CG1 VAL A 36 -8.057 -5.747 -7.032 1.00 0.00 C ATOM 622 CG2 VAL A 36 -6.636 -7.804 -6.982 1.00 0.00 C ATOM 0 H VAL A 36 -7.102 -8.860 -4.711 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.596 -6.134 -4.755 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.669 -7.680 -6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.280 -5.948 -8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.910 -5.252 -6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.182 -5.101 -6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.881 -7.979 -8.030 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.724 -7.210 -6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.483 -8.760 -6.480 1.00 0.00 H new ATOM 632 N GLU A 37 -9.736 -6.867 -3.970 1.00 0.00 N ATOM 633 CA GLU A 37 -10.965 -6.300 -3.417 1.00 0.00 C ATOM 634 C GLU A 37 -10.729 -5.619 -2.069 1.00 0.00 C ATOM 635 O GLU A 37 -11.054 -4.440 -1.892 1.00 0.00 O ATOM 636 CB GLU A 37 -12.022 -7.395 -3.261 1.00 0.00 C ATOM 637 CG GLU A 37 -12.476 -7.994 -4.581 1.00 0.00 C ATOM 638 CD GLU A 37 -13.666 -8.921 -4.422 1.00 0.00 C ATOM 639 OE1 GLU A 37 -14.803 -8.415 -4.311 1.00 0.00 O ATOM 640 OE2 GLU A 37 -13.462 -10.153 -4.409 1.00 0.00 O ATOM 0 H GLU A 37 -9.783 -7.866 -4.170 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.316 -5.541 -4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.621 -8.188 -2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.887 -6.982 -2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.736 -7.190 -5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.649 -8.544 -5.030 1.00 0.00 H new ATOM 647 N GLN A 38 -10.130 -6.345 -1.131 1.00 0.00 N ATOM 648 CA GLN A 38 -9.869 -5.800 0.195 1.00 0.00 C ATOM 649 C GLN A 38 -8.806 -4.711 0.128 1.00 0.00 C ATOM 650 O GLN A 38 -9.010 -3.588 0.602 1.00 0.00 O ATOM 651 CB GLN A 38 -9.423 -6.914 1.143 1.00 0.00 C ATOM 652 CG GLN A 38 -9.180 -6.441 2.565 1.00 0.00 C ATOM 653 CD GLN A 38 -9.916 -7.280 3.592 1.00 0.00 C ATOM 654 OE1 GLN A 38 -9.303 -7.874 4.479 1.00 0.00 O ATOM 655 NE2 GLN A 38 -11.238 -7.336 3.475 1.00 0.00 N ATOM 0 H GLN A 38 -9.818 -7.307 -1.264 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.791 -5.359 0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.182 -7.696 1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.508 -7.363 0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.111 -6.470 2.776 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.495 -5.402 2.657 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.706 -6.828 2.724 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.786 -7.887 4.136 1.00 0.00 H new ATOM 664 N ILE A 39 -7.682 -5.041 -0.494 1.00 0.00 N ATOM 665 CA ILE A 39 -6.599 -4.086 -0.644 1.00 0.00 C ATOM 666 C ILE A 39 -7.088 -2.842 -1.376 1.00 0.00 C ATOM 667 O ILE A 39 -6.818 -1.731 -0.951 1.00 0.00 O ATOM 668 CB ILE A 39 -5.391 -4.705 -1.391 1.00 0.00 C ATOM 669 CG1 ILE A 39 -4.776 -5.832 -0.521 1.00 0.00 C ATOM 670 CG2 ILE A 39 -4.375 -3.623 -1.766 1.00 0.00 C ATOM 671 CD1 ILE A 39 -3.264 -5.804 -0.358 1.00 0.00 C ATOM 0 H ILE A 39 -7.499 -5.959 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.265 -3.806 0.355 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.721 -5.151 -2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.228 -5.786 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.056 -6.792 -0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.535 -4.079 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.850 -2.887 -2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.016 -3.132 -0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.950 -6.638 0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.791 -5.887 -1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.966 -4.866 0.110 1.00 0.00 H new ATOM 683 N GLU A 40 -7.853 -3.032 -2.443 1.00 0.00 N ATOM 684 CA GLU A 40 -8.344 -1.903 -3.225 1.00 0.00 C ATOM 685 C GLU A 40 -9.034 -0.885 -2.328 1.00 0.00 C ATOM 686 O GLU A 40 -8.740 0.307 -2.394 1.00 0.00 O ATOM 687 CB GLU A 40 -9.315 -2.368 -4.311 1.00 0.00 C ATOM 688 CG GLU A 40 -8.629 -2.845 -5.581 1.00 0.00 C ATOM 689 CD GLU A 40 -8.866 -1.916 -6.754 1.00 0.00 C ATOM 690 OE1 GLU A 40 -9.912 -1.231 -6.768 1.00 0.00 O ATOM 691 OE2 GLU A 40 -8.007 -1.871 -7.660 1.00 0.00 O ATOM 0 H GLU A 40 -8.145 -3.947 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.483 -1.434 -3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.929 -3.177 -3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.989 -1.548 -4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.557 -2.931 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.991 -3.842 -5.833 1.00 0.00 H new ATOM 698 N LEU A 41 -9.941 -1.359 -1.481 1.00 0.00 N ATOM 699 CA LEU A 41 -10.661 -0.470 -0.575 1.00 0.00 C ATOM 700 C LEU A 41 -9.691 0.373 0.250 1.00 0.00 C ATOM 701 O LEU A 41 -9.770 1.606 0.260 1.00 0.00 O ATOM 702 CB LEU A 41 -11.566 -1.281 0.353 1.00 0.00 C ATOM 703 CG LEU A 41 -12.447 -0.450 1.287 1.00 0.00 C ATOM 704 CD1 LEU A 41 -13.891 -0.457 0.806 1.00 0.00 C ATOM 705 CD2 LEU A 41 -12.353 -0.974 2.713 1.00 0.00 C ATOM 0 H LEU A 41 -10.194 -2.344 -1.402 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.274 0.201 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.208 -1.918 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.943 -1.941 0.957 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.088 0.579 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.503 0.139 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.942 -0.034 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.263 -1.481 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.986 -0.371 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.686 -2.012 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.320 -0.915 3.055 1.00 0.00 H new ATOM 717 N GLN A 42 -8.750 -0.292 0.915 1.00 0.00 N ATOM 718 CA GLN A 42 -7.769 0.403 1.745 1.00 0.00 C ATOM 719 C GLN A 42 -6.766 1.175 0.892 1.00 0.00 C ATOM 720 O GLN A 42 -6.357 2.282 1.241 1.00 0.00 O ATOM 721 CB GLN A 42 -7.028 -0.598 2.634 1.00 0.00 C ATOM 722 CG GLN A 42 -7.400 -0.493 4.102 1.00 0.00 C ATOM 723 CD GLN A 42 -6.258 -0.880 5.021 1.00 0.00 C ATOM 724 OE1 GLN A 42 -5.914 -2.056 5.139 1.00 0.00 O ATOM 725 NE2 GLN A 42 -5.665 0.110 5.677 1.00 0.00 N ATOM 0 H GLN A 42 -8.646 -1.306 0.896 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.306 1.117 2.369 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.240 -1.609 2.285 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.955 -0.442 2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.709 0.529 4.323 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.257 -1.136 4.303 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.984 1.070 5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.890 -0.090 6.310 1.00 0.00 H new ATOM 734 N LEU A 43 -6.373 0.575 -0.223 1.00 0.00 N ATOM 735 CA LEU A 43 -5.397 1.173 -1.124 1.00 0.00 C ATOM 736 C LEU A 43 -5.964 2.404 -1.822 1.00 0.00 C ATOM 737 O LEU A 43 -5.347 3.469 -1.814 1.00 0.00 O ATOM 738 CB LEU A 43 -4.951 0.142 -2.165 1.00 0.00 C ATOM 739 CG LEU A 43 -3.523 0.319 -2.671 1.00 0.00 C ATOM 740 CD1 LEU A 43 -3.314 1.749 -3.148 1.00 0.00 C ATOM 741 CD2 LEU A 43 -2.531 -0.046 -1.576 1.00 0.00 C ATOM 0 H LEU A 43 -6.719 -0.335 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.539 1.489 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.047 -0.854 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.631 0.188 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.355 -0.349 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.292 1.867 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.011 1.968 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.489 2.438 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.515 0.084 -1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.687 0.601 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.680 -1.085 -1.282 1.00 0.00 H new ATOM 753 N ILE A 44 -7.138 2.256 -2.426 1.00 0.00 N ATOM 754 CA ILE A 44 -7.773 3.365 -3.126 1.00 0.00 C ATOM 755 C ILE A 44 -7.924 4.570 -2.205 1.00 0.00 C ATOM 756 O ILE A 44 -7.641 5.702 -2.592 1.00 0.00 O ATOM 757 CB ILE A 44 -9.161 2.976 -3.685 1.00 0.00 C ATOM 758 CG1 ILE A 44 -9.629 4.022 -4.700 1.00 0.00 C ATOM 759 CG2 ILE A 44 -10.184 2.826 -2.562 1.00 0.00 C ATOM 760 CD1 ILE A 44 -11.062 3.837 -5.150 1.00 0.00 C ATOM 0 H ILE A 44 -7.666 1.384 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.124 3.622 -3.963 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.071 2.012 -4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.521 5.014 -4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.976 3.986 -5.572 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.151 2.552 -2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.856 2.048 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.277 3.770 -2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.321 4.615 -5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.173 2.859 -5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.726 3.903 -4.288 1.00 0.00 H new ATOM 772 N GLN A 45 -8.383 4.311 -0.986 1.00 0.00 N ATOM 773 CA GLN A 45 -8.607 5.359 -0.020 1.00 0.00 C ATOM 774 C GLN A 45 -7.301 6.029 0.400 1.00 0.00 C ATOM 775 O GLN A 45 -7.260 7.237 0.628 1.00 0.00 O ATOM 776 CB GLN A 45 -9.310 4.765 1.188 1.00 0.00 C ATOM 777 CG GLN A 45 -10.675 5.374 1.422 1.00 0.00 C ATOM 778 CD GLN A 45 -11.082 5.363 2.881 1.00 0.00 C ATOM 779 OE1 GLN A 45 -10.540 6.113 3.695 1.00 0.00 O ATOM 780 NE2 GLN A 45 -12.041 4.509 3.224 1.00 0.00 N ATOM 0 H GLN A 45 -8.606 3.374 -0.650 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.229 6.130 -0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.415 3.689 1.050 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.692 4.915 2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.677 6.401 1.057 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.416 4.827 0.839 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.463 3.906 2.518 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.355 4.457 4.193 1.00 0.00 H new ATOM 789 N LEU A 46 -6.241 5.241 0.523 1.00 0.00 N ATOM 790 CA LEU A 46 -4.949 5.767 0.948 1.00 0.00 C ATOM 791 C LEU A 46 -4.303 6.635 -0.130 1.00 0.00 C ATOM 792 O LEU A 46 -3.929 7.777 0.125 1.00 0.00 O ATOM 793 CB LEU A 46 -4.010 4.619 1.326 1.00 0.00 C ATOM 794 CG LEU A 46 -4.283 3.987 2.693 1.00 0.00 C ATOM 795 CD1 LEU A 46 -4.084 2.480 2.636 1.00 0.00 C ATOM 796 CD2 LEU A 46 -3.387 4.606 3.755 1.00 0.00 C ATOM 0 H LEU A 46 -6.249 4.238 0.335 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.124 6.397 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.082 3.844 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.984 4.988 1.311 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.321 4.184 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.283 2.049 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.769 2.050 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.057 2.259 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.595 4.145 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.342 4.441 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.581 5.677 3.815 1.00 0.00 H new ATOM 808 N ALA A 47 -4.173 6.089 -1.334 1.00 0.00 N ATOM 809 CA ALA A 47 -3.548 6.811 -2.437 1.00 0.00 C ATOM 810 C ALA A 47 -4.457 7.903 -2.995 1.00 0.00 C ATOM 811 O ALA A 47 -4.046 9.054 -3.136 1.00 0.00 O ATOM 812 CB ALA A 47 -3.154 5.840 -3.539 1.00 0.00 C ATOM 0 H ALA A 47 -4.492 5.150 -1.571 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.655 7.299 -2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.688 6.388 -4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.448 5.109 -3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.042 5.326 -3.906 1.00 0.00 H new ATOM 818 N GLN A 48 -5.681 7.524 -3.344 1.00 0.00 N ATOM 819 CA GLN A 48 -6.626 8.452 -3.958 1.00 0.00 C ATOM 820 C GLN A 48 -7.214 9.444 -2.955 1.00 0.00 C ATOM 821 O GLN A 48 -7.433 10.608 -3.289 1.00 0.00 O ATOM 822 CB GLN A 48 -7.752 7.673 -4.636 1.00 0.00 C ATOM 823 CG GLN A 48 -7.256 6.506 -5.473 1.00 0.00 C ATOM 824 CD GLN A 48 -8.208 6.147 -6.597 1.00 0.00 C ATOM 825 OE1 GLN A 48 -9.506 6.263 -6.335 1.00 0.00 O flip ATOM 826 NE2 GLN A 48 -7.784 5.772 -7.689 1.00 0.00 N flip ATOM 0 H GLN A 48 -6.043 6.580 -3.212 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.072 9.031 -4.697 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.436 7.300 -3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.322 8.351 -5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.281 6.754 -5.893 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.115 5.637 -4.830 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.779 5.697 -7.848 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.437 5.536 -8.436 1.00 0.00 H new ATOM 899 N ARG A 53 -2.203 8.549 5.065 1.00 0.00 N ATOM 900 CA ARG A 53 -1.203 7.518 4.815 1.00 0.00 C ATOM 901 C ARG A 53 -1.107 7.190 3.329 1.00 0.00 C ATOM 902 O ARG A 53 -2.016 7.488 2.554 1.00 0.00 O ATOM 903 CB ARG A 53 -1.541 6.253 5.606 1.00 0.00 C ATOM 904 CG ARG A 53 -0.692 6.071 6.854 1.00 0.00 C ATOM 905 CD ARG A 53 -0.333 4.610 7.077 1.00 0.00 C ATOM 906 NE ARG A 53 0.860 4.459 7.905 1.00 0.00 N ATOM 907 CZ ARG A 53 0.852 4.552 9.231 1.00 0.00 C ATOM 908 NH1 ARG A 53 -0.282 4.796 9.873 1.00 0.00 N ATOM 909 NH2 ARG A 53 1.978 4.402 9.915 1.00 0.00 N ATOM 0 HA ARG A 53 -0.237 7.901 5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.592 6.284 5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.413 5.385 4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.220 6.661 6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.232 6.450 7.721 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.171 4.100 7.552 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.169 4.126 6.114 1.00 0.00 H new ATOM 0 HE ARG A 53 1.749 4.272 7.440 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.150 4.913 9.349 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.287 4.867 10.891 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.852 4.215 9.424 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.970 4.474 10.932 1.00 0.00 H new ATOM 923 N SER A 54 0.004 6.572 2.940 1.00 0.00 N ATOM 924 CA SER A 54 0.233 6.195 1.550 1.00 0.00 C ATOM 925 C SER A 54 -0.088 4.726 1.320 1.00 0.00 C ATOM 926 O SER A 54 -0.095 3.926 2.256 1.00 0.00 O ATOM 927 CB SER A 54 1.668 6.501 1.105 1.00 0.00 C ATOM 928 OG SER A 54 2.595 5.637 1.737 1.00 0.00 O ATOM 0 H SER A 54 0.764 6.321 3.572 1.00 0.00 H new ATOM 0 HA SER A 54 -0.442 6.798 0.942 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.747 6.394 0.023 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.912 7.537 1.342 1.00 0.00 H new ATOM 0 HG SER A 54 2.386 4.708 1.506 1.00 0.00 H new ATOM 934 N LYS A 55 -0.384 4.384 0.072 1.00 0.00 N ATOM 935 CA LYS A 55 -0.770 3.026 -0.275 1.00 0.00 C ATOM 936 C LYS A 55 0.272 2.018 0.196 1.00 0.00 C ATOM 937 O LYS A 55 1.469 2.303 0.230 1.00 0.00 O ATOM 938 CB LYS A 55 -0.968 2.902 -1.787 1.00 0.00 C ATOM 939 CG LYS A 55 0.226 3.356 -2.608 1.00 0.00 C ATOM 940 CD LYS A 55 0.090 2.917 -4.058 1.00 0.00 C ATOM 941 CE LYS A 55 0.441 1.446 -4.232 1.00 0.00 C ATOM 942 NZ LYS A 55 -0.732 0.640 -4.670 1.00 0.00 N ATOM 0 H LYS A 55 -0.363 5.031 -0.716 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.710 2.806 0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.188 1.862 -2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.839 3.489 -2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.313 4.441 -2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.141 2.943 -2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.931 3.091 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.742 3.524 -4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.242 1.349 -4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.821 1.050 -3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.411 -0.134 -5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.211 0.243 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.394 1.247 -5.194 1.00 0.00 H new ATOM 956 N ILE A 56 -0.218 0.851 0.596 1.00 0.00 N ATOM 957 CA ILE A 56 0.617 -0.198 1.166 1.00 0.00 C ATOM 958 C ILE A 56 1.662 -0.712 0.180 1.00 0.00 C ATOM 959 O ILE A 56 1.399 -0.832 -1.015 1.00 0.00 O ATOM 960 CB ILE A 56 -0.256 -1.382 1.620 1.00 0.00 C ATOM 961 CG1 ILE A 56 -1.416 -0.886 2.487 1.00 0.00 C ATOM 962 CG2 ILE A 56 0.577 -2.396 2.374 1.00 0.00 C ATOM 963 CD1 ILE A 56 -2.762 -1.434 2.065 1.00 0.00 C ATOM 0 H ILE A 56 -1.206 0.606 0.534 1.00 0.00 H new ATOM 0 HA ILE A 56 1.138 0.244 2.016 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.669 -1.868 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.229 -1.164 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.448 0.203 2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.056 -3.226 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.370 -2.769 1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.018 -1.924 3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.537 -1.041 2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.971 -1.134 1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.748 -2.522 2.130 1.00 0.00 H new ATOM 975 N THR A 57 2.849 -1.019 0.705 1.00 0.00 N ATOM 976 CA THR A 57 3.953 -1.523 -0.109 1.00 0.00 C ATOM 977 C THR A 57 3.743 -2.989 -0.470 1.00 0.00 C ATOM 978 O THR A 57 2.864 -3.651 0.077 1.00 0.00 O ATOM 979 CB THR A 57 5.277 -1.361 0.642 1.00 0.00 C ATOM 980 OG1 THR A 57 5.234 -2.040 1.884 1.00 0.00 O ATOM 981 CG2 THR A 57 5.637 0.083 0.917 1.00 0.00 C ATOM 0 H THR A 57 3.070 -0.926 1.696 1.00 0.00 H new ATOM 0 HA THR A 57 3.985 -0.942 -1.031 1.00 0.00 H new ATOM 0 HB THR A 57 6.036 -1.787 -0.014 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.089 -1.927 2.349 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.586 0.126 1.452 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.727 0.621 -0.026 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.857 0.543 1.524 1.00 0.00 H new ATOM 989 N ASP A 58 4.552 -3.488 -1.398 1.00 0.00 N ATOM 990 CA ASP A 58 4.460 -4.881 -1.817 1.00 0.00 C ATOM 991 C ASP A 58 4.678 -5.812 -0.633 1.00 0.00 C ATOM 992 O ASP A 58 4.183 -6.938 -0.615 1.00 0.00 O ATOM 993 CB ASP A 58 5.488 -5.178 -2.912 1.00 0.00 C ATOM 994 CG ASP A 58 6.880 -4.704 -2.543 1.00 0.00 C ATOM 995 OD1 ASP A 58 7.153 -3.493 -2.685 1.00 0.00 O ATOM 996 OD2 ASP A 58 7.699 -5.544 -2.114 1.00 0.00 O ATOM 0 H ASP A 58 5.277 -2.950 -1.873 1.00 0.00 H new ATOM 0 HA ASP A 58 3.460 -5.052 -2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.511 -6.251 -3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.177 -4.696 -3.839 1.00 0.00 H new ATOM 1001 N GLU A 59 5.420 -5.330 0.360 1.00 0.00 N ATOM 1002 CA GLU A 59 5.701 -6.114 1.554 1.00 0.00 C ATOM 1003 C GLU A 59 4.476 -6.186 2.459 1.00 0.00 C ATOM 1004 O GLU A 59 4.015 -7.272 2.815 1.00 0.00 O ATOM 1005 CB GLU A 59 6.874 -5.490 2.314 1.00 0.00 C ATOM 1006 CG GLU A 59 7.115 -6.104 3.685 1.00 0.00 C ATOM 1007 CD GLU A 59 8.029 -5.260 4.551 1.00 0.00 C ATOM 1008 OE1 GLU A 59 7.550 -4.255 5.116 1.00 0.00 O ATOM 1009 OE2 GLU A 59 9.225 -5.605 4.665 1.00 0.00 O ATOM 0 H GLU A 59 5.837 -4.399 0.359 1.00 0.00 H new ATOM 0 HA GLU A 59 5.961 -7.128 1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.779 -5.594 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.691 -4.422 2.432 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.160 -6.236 4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.550 -7.096 3.563 1.00 0.00 H new ATOM 1016 N GLN A 60 3.936 -5.024 2.808 1.00 0.00 N ATOM 1017 CA GLN A 60 2.754 -4.963 3.653 1.00 0.00 C ATOM 1018 C GLN A 60 1.536 -5.442 2.874 1.00 0.00 C ATOM 1019 O GLN A 60 0.634 -6.070 3.429 1.00 0.00 O ATOM 1020 CB GLN A 60 2.540 -3.544 4.176 1.00 0.00 C ATOM 1021 CG GLN A 60 3.412 -3.203 5.374 1.00 0.00 C ATOM 1022 CD GLN A 60 2.633 -2.533 6.489 1.00 0.00 C ATOM 1023 OE1 GLN A 60 1.735 -3.131 7.081 1.00 0.00 O ATOM 1024 NE2 GLN A 60 2.974 -1.284 6.780 1.00 0.00 N ATOM 0 H GLN A 60 4.298 -4.115 2.519 1.00 0.00 H new ATOM 0 HA GLN A 60 2.899 -5.618 4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.744 -2.835 3.374 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.493 -3.421 4.452 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.873 -4.114 5.755 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.221 -2.546 5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.725 -0.827 6.263 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.485 -0.781 7.521 1.00 0.00 H new ATOM 1033 N LEU A 61 1.544 -5.181 1.571 1.00 0.00 N ATOM 1034 CA LEU A 61 0.486 -5.651 0.692 1.00 0.00 C ATOM 1035 C LEU A 61 0.458 -7.169 0.708 1.00 0.00 C ATOM 1036 O LEU A 61 -0.605 -7.789 0.676 1.00 0.00 O ATOM 1037 CB LEU A 61 0.718 -5.153 -0.738 1.00 0.00 C ATOM 1038 CG LEU A 61 0.327 -3.700 -0.995 1.00 0.00 C ATOM 1039 CD1 LEU A 61 0.955 -3.204 -2.288 1.00 0.00 C ATOM 1040 CD2 LEU A 61 -1.184 -3.567 -1.045 1.00 0.00 C ATOM 0 H LEU A 61 2.274 -4.645 1.102 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.469 -5.261 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.773 -5.276 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.157 -5.789 -1.422 1.00 0.00 H new ATOM 0 HG LEU A 61 0.701 -3.084 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.667 -2.167 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.040 -3.272 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.608 -3.817 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.452 -2.527 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.578 -4.190 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.609 -3.889 -0.094 1.00 0.00 H new ATOM 1052 N LYS A 62 1.647 -7.758 0.781 1.00 0.00 N ATOM 1053 CA LYS A 62 1.781 -9.202 0.840 1.00 0.00 C ATOM 1054 C LYS A 62 1.081 -9.738 2.081 1.00 0.00 C ATOM 1055 O LYS A 62 0.257 -10.649 1.996 1.00 0.00 O ATOM 1056 CB LYS A 62 3.259 -9.593 0.857 1.00 0.00 C ATOM 1057 CG LYS A 62 3.600 -10.727 -0.095 1.00 0.00 C ATOM 1058 CD LYS A 62 2.907 -12.018 0.305 1.00 0.00 C ATOM 1059 CE LYS A 62 3.903 -13.151 0.491 1.00 0.00 C ATOM 1060 NZ LYS A 62 3.754 -14.197 -0.558 1.00 0.00 N ATOM 0 H LYS A 62 2.532 -7.252 0.801 1.00 0.00 H new ATOM 0 HA LYS A 62 1.315 -9.637 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.860 -8.721 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.537 -9.884 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.305 -10.454 -1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.679 -10.881 -0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.354 -11.863 1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.180 -12.293 -0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.917 -12.752 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.763 -13.600 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.451 -14.952 -0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.795 -14.596 -0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.913 -13.774 -1.495 1.00 0.00 H new ATOM 1074 N GLU A 63 1.387 -9.141 3.230 1.00 0.00 N ATOM 1075 CA GLU A 63 0.741 -9.525 4.477 1.00 0.00 C ATOM 1076 C GLU A 63 -0.770 -9.437 4.322 1.00 0.00 C ATOM 1077 O GLU A 63 -1.515 -10.241 4.880 1.00 0.00 O ATOM 1078 CB GLU A 63 1.209 -8.636 5.622 1.00 0.00 C ATOM 1079 CG GLU A 63 2.692 -8.302 5.568 1.00 0.00 C ATOM 1080 CD GLU A 63 3.223 -7.790 6.892 1.00 0.00 C ATOM 1081 OE1 GLU A 63 3.127 -8.528 7.896 1.00 0.00 O ATOM 1082 OE2 GLU A 63 3.737 -6.651 6.926 1.00 0.00 O ATOM 0 H GLU A 63 2.075 -8.393 3.321 1.00 0.00 H new ATOM 0 HA GLU A 63 1.016 -10.553 4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.636 -7.709 5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.991 -9.132 6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.251 -9.191 5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.864 -7.551 4.797 1.00 0.00 H new ATOM 1089 N LEU A 64 -1.213 -8.462 3.534 1.00 0.00 N ATOM 1090 CA LEU A 64 -2.631 -8.289 3.260 1.00 0.00 C ATOM 1091 C LEU A 64 -3.160 -9.481 2.468 1.00 0.00 C ATOM 1092 O LEU A 64 -4.328 -9.853 2.587 1.00 0.00 O ATOM 1093 CB LEU A 64 -2.879 -6.984 2.501 1.00 0.00 C ATOM 1094 CG LEU A 64 -3.607 -5.906 3.311 1.00 0.00 C ATOM 1095 CD1 LEU A 64 -3.257 -4.514 2.803 1.00 0.00 C ATOM 1096 CD2 LEU A 64 -5.110 -6.130 3.266 1.00 0.00 C ATOM 0 H LEU A 64 -0.608 -7.781 3.075 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.166 -8.235 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.921 -6.585 2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.462 -7.204 1.606 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.277 -5.980 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.787 -3.767 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.183 -4.353 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.551 -4.424 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.611 -5.355 3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.453 -6.088 2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.345 -7.108 3.687 1.00 0.00 H new ATOM 1108 N LEU A 65 -2.280 -10.090 1.677 1.00 0.00 N ATOM 1109 CA LEU A 65 -2.640 -11.253 0.875 1.00 0.00 C ATOM 1110 C LEU A 65 -2.919 -12.464 1.758 1.00 0.00 C ATOM 1111 O LEU A 65 -3.946 -13.129 1.616 1.00 0.00 O ATOM 1112 CB LEU A 65 -1.509 -11.585 -0.098 1.00 0.00 C ATOM 1113 CG LEU A 65 -1.948 -11.804 -1.543 1.00 0.00 C ATOM 1114 CD1 LEU A 65 -1.496 -10.643 -2.408 1.00 0.00 C ATOM 1115 CD2 LEU A 65 -1.401 -13.119 -2.075 1.00 0.00 C ATOM 0 H LEU A 65 -1.309 -9.795 1.575 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.546 -11.012 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.779 -10.776 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.000 -12.483 0.252 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.036 -11.855 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.815 -10.810 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.939 -9.719 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.409 -10.565 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.725 -13.257 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.312 -13.102 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.774 -13.942 -1.465 1.00 0.00 H new ATOM 1127 N LYS A 66 -1.988 -12.756 2.658 1.00 0.00 N ATOM 1128 CA LYS A 66 -2.118 -13.902 3.549 1.00 0.00 C ATOM 1129 C LYS A 66 -3.387 -13.808 4.388 1.00 0.00 C ATOM 1130 O LYS A 66 -4.119 -14.787 4.531 1.00 0.00 O ATOM 1131 CB LYS A 66 -0.899 -14.000 4.469 1.00 0.00 C ATOM 1132 CG LYS A 66 -0.973 -15.157 5.452 1.00 0.00 C ATOM 1133 CD LYS A 66 -1.573 -14.726 6.782 1.00 0.00 C ATOM 1134 CE LYS A 66 -0.544 -14.033 7.659 1.00 0.00 C ATOM 1135 NZ LYS A 66 0.023 -14.952 8.684 1.00 0.00 N ATOM 0 H LYS A 66 -1.134 -12.214 2.790 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.179 -14.798 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.002 -14.108 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.797 -13.068 5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.574 -15.960 5.025 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.027 -15.559 5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.412 -14.053 6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.969 -15.598 7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.261 -13.644 7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.006 -13.178 8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.721 -14.440 9.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.741 -15.304 9.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.486 -15.755 8.212 1.00 0.00 H new ATOM 1149 N ARG A 67 -3.636 -12.632 4.952 1.00 0.00 N ATOM 1150 CA ARG A 67 -4.797 -12.433 5.807 1.00 0.00 C ATOM 1151 C ARG A 67 -6.097 -12.449 5.007 1.00 0.00 C ATOM 1152 O ARG A 67 -7.113 -12.956 5.479 1.00 0.00 O ATOM 1153 CB ARG A 67 -4.673 -11.133 6.597 1.00 0.00 C ATOM 1154 CG ARG A 67 -4.572 -9.910 5.720 1.00 0.00 C ATOM 1155 CD ARG A 67 -3.873 -8.769 6.443 1.00 0.00 C ATOM 1156 NE ARG A 67 -4.318 -8.641 7.828 1.00 0.00 N ATOM 1157 CZ ARG A 67 -5.442 -8.029 8.186 1.00 0.00 C ATOM 1158 NH1 ARG A 67 -6.232 -7.492 7.265 1.00 0.00 N ATOM 1159 NH2 ARG A 67 -5.778 -7.952 9.467 1.00 0.00 N ATOM 0 H ARG A 67 -3.051 -11.805 4.833 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.829 -13.266 6.509 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.537 -11.031 7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.792 -11.187 7.236 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.025 -10.156 4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.570 -9.594 5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.796 -8.934 6.423 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.063 -7.835 5.914 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.734 -9.044 8.561 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.977 -7.548 6.279 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.094 -7.023 7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.173 -8.363 10.178 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.641 -7.482 9.741 1.00 0.00 H new ATOM 1173 N VAL A 68 -6.068 -11.904 3.791 1.00 0.00 N ATOM 1174 CA VAL A 68 -7.263 -11.885 2.952 1.00 0.00 C ATOM 1175 C VAL A 68 -7.634 -13.306 2.515 1.00 0.00 C ATOM 1176 O VAL A 68 -8.782 -13.730 2.650 1.00 0.00 O ATOM 1177 CB VAL A 68 -7.104 -10.944 1.717 1.00 0.00 C ATOM 1178 CG1 VAL A 68 -6.536 -11.661 0.492 1.00 0.00 C ATOM 1179 CG2 VAL A 68 -8.434 -10.283 1.395 1.00 0.00 C ATOM 0 H VAL A 68 -5.243 -11.476 3.371 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.076 -11.480 3.554 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.376 -10.178 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.448 -10.956 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.552 -12.065 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.202 -12.475 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.315 -9.628 0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.176 -11.049 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.766 -9.697 2.252 1.00 0.00 H new ATOM 1189 N ALA A 69 -6.648 -14.029 1.992 1.00 0.00 N ATOM 1190 CA ALA A 69 -6.858 -15.397 1.531 1.00 0.00 C ATOM 1191 C ALA A 69 -7.274 -16.306 2.682 1.00 0.00 C ATOM 1192 O ALA A 69 -6.487 -16.577 3.588 1.00 0.00 O ATOM 1193 CB ALA A 69 -5.596 -15.929 0.868 1.00 0.00 C ATOM 0 H ALA A 69 -5.693 -13.689 1.877 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.665 -15.388 0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.766 -16.951 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.341 -15.301 0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.775 -15.917 1.585 1.00 0.00 H new