USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 717 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 32 THR OG1 : rot -108:sc= 1.24 USER MOD Set 1.2: A 34 HIS : no HE2:sc= -0.387 K(o=0.85,f=-5.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0659 K(o=-0.066,f=-1.4) USER MOD Single : A 26 SER OG : rot 63:sc= 0.0216 USER MOD Single : A 35 SER OG : rot 180:sc= -0.947 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc=-0.00472 X(o=-0.0047,f=-0.0026) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 18:sc= 1.08 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0158 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -117:sc= -7.49! (180deg=-12.1!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -108:sc= -1.73! (180deg=-4.39!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 147:sc= 0.389 USER MOD Single : A 85 TYR OH : rot -56:sc= 1.16 USER MOD Single : A 86 TYR OH : rot -3:sc= -3.5! USER MOD Single : A 87 SER OG : rot 101:sc= 0.0495 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -2.56 X(o=-2.6,f=-2.8!) USER MOD Single : A 93 GLN : amide:sc= -0.222 K(o=-0.22,f=-2!) USER MOD Single : A 95 ASN : amide:sc= -6.09! C(o=-6.1!,f=-13!) USER MOD Single : A 97 GLN : amide:sc=-0.00811 X(o=-0.0081,f=-0.0065) USER MOD Single : A 103 GLN : amide:sc= -0.0828 K(o=-0.083,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 17 0.792 7.894 -3.469 1.00 0.00 N ATOM 201 CA LEU A 17 1.019 6.460 -3.405 1.00 0.00 C ATOM 202 C LEU A 17 -0.133 5.734 -4.101 1.00 0.00 C ATOM 203 O LEU A 17 -1.293 6.117 -3.952 1.00 0.00 O ATOM 204 CB LEU A 17 1.241 6.017 -1.957 1.00 0.00 C ATOM 205 CG LEU A 17 1.089 4.519 -1.684 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.395 3.775 -1.971 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.589 4.270 -0.260 1.00 0.00 C ATOM 0 HA LEU A 17 1.932 6.194 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.243 6.322 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.538 6.555 -1.321 1.00 0.00 H new ATOM 0 HG LEU A 17 0.335 4.122 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.260 2.712 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.671 3.914 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.186 4.168 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.489 3.198 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.301 4.685 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.380 4.750 -0.126 1.00 0.00 H new ATOM 219 N VAL A 18 0.226 4.699 -4.846 1.00 0.00 N ATOM 220 CA VAL A 18 -0.764 3.916 -5.566 1.00 0.00 C ATOM 221 C VAL A 18 -0.558 2.432 -5.256 1.00 0.00 C ATOM 222 O VAL A 18 0.474 1.859 -5.603 1.00 0.00 O ATOM 223 CB VAL A 18 -0.694 4.230 -7.061 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.601 3.293 -7.862 1.00 0.00 C ATOM 225 CG2 VAL A 18 -1.043 5.694 -7.331 1.00 0.00 C ATOM 0 H VAL A 18 1.189 4.384 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.770 4.180 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 18 0.332 4.064 -7.390 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.532 3.538 -8.922 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.286 2.261 -7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.632 3.411 -7.528 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.985 5.890 -8.402 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.054 5.898 -6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.339 6.339 -6.806 1.00 0.00 H new ATOM 235 N ILE A 19 -1.556 1.852 -4.605 1.00 0.00 N ATOM 236 CA ILE A 19 -1.496 0.445 -4.244 1.00 0.00 C ATOM 237 C ILE A 19 -2.214 -0.381 -5.312 1.00 0.00 C ATOM 238 O ILE A 19 -3.408 -0.197 -5.547 1.00 0.00 O ATOM 239 CB ILE A 19 -2.042 0.231 -2.831 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.178 0.953 -1.794 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.187 -1.260 -2.519 1.00 0.00 C ATOM 242 CD1 ILE A 19 -1.931 1.118 -0.472 1.00 0.00 C ATOM 0 H ILE A 19 -2.410 2.330 -4.318 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.462 0.102 -4.216 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.039 0.669 -2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.260 0.391 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.887 1.932 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.577 -1.384 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.874 -1.716 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.213 -1.744 -2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.295 1.634 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.836 1.701 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.199 0.136 -0.081 1.00 0.00 H new ATOM 254 N ARG A 20 -1.457 -1.275 -5.931 1.00 0.00 N ATOM 255 CA ARG A 20 -2.006 -2.131 -6.969 1.00 0.00 C ATOM 256 C ARG A 20 -2.401 -3.489 -6.384 1.00 0.00 C ATOM 257 O ARG A 20 -1.543 -4.333 -6.132 1.00 0.00 O ATOM 258 CB ARG A 20 -0.997 -2.344 -8.099 1.00 0.00 C ATOM 259 CG ARG A 20 -1.381 -3.551 -8.957 1.00 0.00 C ATOM 260 CD ARG A 20 -0.388 -3.747 -10.104 1.00 0.00 C ATOM 261 NE ARG A 20 -0.736 -4.962 -10.873 1.00 0.00 N ATOM 262 CZ ARG A 20 0.109 -5.598 -11.697 1.00 0.00 C ATOM 263 NH1 ARG A 20 1.356 -5.137 -11.864 1.00 0.00 N ATOM 264 NH2 ARG A 20 -0.293 -6.694 -12.354 1.00 0.00 N ATOM 0 H ARG A 20 -0.468 -1.425 -5.734 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.888 -1.636 -7.374 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.950 -1.451 -8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.002 -2.493 -7.680 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.408 -4.448 -8.338 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.384 -3.411 -9.360 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.400 -2.876 -10.759 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.624 -3.834 -9.709 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.678 -5.340 -10.770 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.662 -4.302 -11.364 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.999 -5.621 -12.491 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.242 -7.045 -12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.350 -7.178 -12.981 1.00 0.00 H new ATOM 278 N ILE A 21 -3.700 -3.656 -6.185 1.00 0.00 N ATOM 279 CA ILE A 21 -4.219 -4.897 -5.634 1.00 0.00 C ATOM 280 C ILE A 21 -4.379 -5.921 -6.759 1.00 0.00 C ATOM 281 O ILE A 21 -5.048 -5.655 -7.756 1.00 0.00 O ATOM 282 CB ILE A 21 -5.507 -4.638 -4.850 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.207 -3.970 -3.507 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.316 -5.926 -4.683 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.688 -2.518 -3.496 1.00 0.00 C ATOM 0 H ILE A 21 -4.409 -2.953 -6.395 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.516 -5.319 -4.916 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.122 -3.944 -5.423 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.694 -4.524 -2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.135 -4.003 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.226 -5.714 -4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.578 -6.321 -5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.721 -6.662 -4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.462 -2.067 -2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.181 -1.961 -4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.764 -2.490 -3.667 1.00 0.00 H new ATOM 297 N LYS A 22 -3.753 -7.072 -6.561 1.00 0.00 N ATOM 298 CA LYS A 22 -3.818 -8.138 -7.546 1.00 0.00 C ATOM 299 C LYS A 22 -5.227 -8.735 -7.555 1.00 0.00 C ATOM 300 O LYS A 22 -5.571 -9.535 -6.687 1.00 0.00 O ATOM 301 CB LYS A 22 -2.716 -9.169 -7.294 1.00 0.00 C ATOM 302 CG LYS A 22 -1.639 -9.097 -8.379 1.00 0.00 C ATOM 303 CD LYS A 22 -2.245 -9.307 -9.768 1.00 0.00 C ATOM 304 CE LYS A 22 -1.741 -10.608 -10.395 1.00 0.00 C ATOM 305 NZ LYS A 22 -2.635 -11.734 -10.043 1.00 0.00 N ATOM 0 H LYS A 22 -3.198 -7.289 -5.733 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.632 -7.744 -8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.265 -8.994 -6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.148 -10.170 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.141 -8.128 -8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.878 -9.855 -8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.332 -9.332 -9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.988 -8.466 -10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.691 -10.501 -11.479 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.729 -10.817 -10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.278 -12.609 -10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.662 -11.846 -9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.594 -11.539 -10.395 1.00 0.00 H new ATOM 319 N ILE A 23 -6.004 -8.321 -8.545 1.00 0.00 N ATOM 320 CA ILE A 23 -7.368 -8.805 -8.678 1.00 0.00 C ATOM 321 C ILE A 23 -7.350 -10.211 -9.281 1.00 0.00 C ATOM 322 O ILE A 23 -6.553 -10.497 -10.173 1.00 0.00 O ATOM 323 CB ILE A 23 -8.215 -7.807 -9.470 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.007 -6.381 -8.955 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.691 -8.210 -9.458 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.101 -5.992 -7.959 1.00 0.00 C ATOM 0 H ILE A 23 -5.715 -7.656 -9.263 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.841 -8.884 -7.699 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.884 -7.826 -10.508 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.031 -6.302 -8.477 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.009 -5.684 -9.793 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.271 -7.484 -10.028 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.802 -9.197 -9.907 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.053 -8.237 -8.430 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.929 -4.974 -7.609 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.074 -6.048 -8.447 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.080 -6.676 -7.111 1.00 0.00 H new ATOM 338 N PRO A 24 -8.261 -11.073 -8.757 1.00 0.00 N ATOM 339 CA PRO A 24 -8.357 -12.442 -9.234 1.00 0.00 C ATOM 340 C PRO A 24 -9.039 -12.499 -10.602 1.00 0.00 C ATOM 341 O PRO A 24 -10.216 -12.163 -10.728 1.00 0.00 O ATOM 342 CB PRO A 24 -9.130 -13.182 -8.154 1.00 0.00 C ATOM 343 CG PRO A 24 -9.837 -12.111 -7.340 1.00 0.00 C ATOM 344 CD PRO A 24 -9.221 -10.769 -7.700 1.00 0.00 C ATOM 0 HA PRO A 24 -7.381 -12.901 -9.393 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.847 -13.876 -8.593 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.460 -13.770 -7.527 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.905 -12.111 -7.556 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.727 -12.308 -6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.979 -10.065 -8.044 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.731 -10.314 -6.839 1.00 0.00 H new ATOM 352 N ASN A 25 -8.271 -12.928 -11.593 1.00 0.00 N ATOM 353 CA ASN A 25 -8.787 -13.033 -12.948 1.00 0.00 C ATOM 354 C ASN A 25 -9.588 -11.774 -13.283 1.00 0.00 C ATOM 355 O ASN A 25 -10.779 -11.852 -13.579 1.00 0.00 O ATOM 356 CB ASN A 25 -9.718 -14.238 -13.090 1.00 0.00 C ATOM 357 CG ASN A 25 -8.927 -15.510 -13.401 1.00 0.00 C ATOM 358 OD1 ASN A 25 -7.707 -15.533 -13.384 1.00 0.00 O ATOM 359 ND2 ASN A 25 -9.686 -16.565 -13.684 1.00 0.00 N ATOM 0 H ASN A 25 -7.296 -13.207 -11.485 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.940 -13.150 -13.624 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.285 -14.374 -12.169 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.441 -14.052 -13.884 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.252 -17.461 -13.904 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.702 -16.478 -13.681 1.00 0.00 H new ATOM 366 N SER A 26 -8.901 -10.642 -13.227 1.00 0.00 N ATOM 367 CA SER A 26 -9.534 -9.368 -13.521 1.00 0.00 C ATOM 368 C SER A 26 -8.508 -8.238 -13.418 1.00 0.00 C ATOM 369 O SER A 26 -8.831 -7.141 -12.964 1.00 0.00 O ATOM 370 CB SER A 26 -10.709 -9.105 -12.577 1.00 0.00 C ATOM 371 OG SER A 26 -11.955 -9.082 -13.269 1.00 0.00 O ATOM 0 H SER A 26 -7.913 -10.581 -12.982 1.00 0.00 H new ATOM 0 HA SER A 26 -9.922 -9.407 -14.539 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.736 -9.877 -11.808 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.559 -8.153 -12.068 1.00 0.00 H new ATOM 0 HG SER A 26 -12.122 -9.960 -13.672 1.00 0.00 H new ATOM 377 N GLY A 27 -7.292 -8.544 -13.846 1.00 0.00 N ATOM 378 CA GLY A 27 -6.216 -7.568 -13.807 1.00 0.00 C ATOM 379 C GLY A 27 -5.912 -7.144 -12.369 1.00 0.00 C ATOM 380 O GLY A 27 -5.803 -7.987 -11.480 1.00 0.00 O ATOM 0 H GLY A 27 -7.028 -9.455 -14.222 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.320 -7.991 -14.262 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.492 -6.694 -14.397 1.00 0.00 H new ATOM 384 N ALA A 28 -5.784 -5.838 -12.185 1.00 0.00 N ATOM 385 CA ALA A 28 -5.495 -5.292 -10.870 1.00 0.00 C ATOM 386 C ALA A 28 -6.072 -3.879 -10.771 1.00 0.00 C ATOM 387 O ALA A 28 -6.190 -3.181 -11.777 1.00 0.00 O ATOM 388 CB ALA A 28 -3.985 -5.324 -10.625 1.00 0.00 C ATOM 0 H ALA A 28 -5.875 -5.142 -12.925 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.964 -5.895 -10.092 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.768 -4.914 -9.639 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.630 -6.353 -10.677 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.480 -4.727 -11.385 1.00 0.00 H new ATOM 394 N VAL A 29 -6.417 -3.499 -9.549 1.00 0.00 N ATOM 395 CA VAL A 29 -6.979 -2.182 -9.306 1.00 0.00 C ATOM 396 C VAL A 29 -5.952 -1.323 -8.564 1.00 0.00 C ATOM 397 O VAL A 29 -5.188 -1.831 -7.746 1.00 0.00 O ATOM 398 CB VAL A 29 -8.306 -2.310 -8.554 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.776 -0.949 -8.038 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.374 -2.961 -9.435 1.00 0.00 C ATOM 0 H VAL A 29 -6.318 -4.081 -8.717 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.201 -1.682 -10.249 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.143 -2.957 -7.692 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.721 -1.068 -7.507 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.028 -0.539 -7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.915 -0.269 -8.879 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.307 -3.040 -8.877 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.534 -2.351 -10.324 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.043 -3.956 -9.732 1.00 0.00 H new ATOM 410 N ASP A 30 -5.968 -0.036 -8.878 1.00 0.00 N ATOM 411 CA ASP A 30 -5.048 0.898 -8.251 1.00 0.00 C ATOM 412 C ASP A 30 -5.812 1.765 -7.248 1.00 0.00 C ATOM 413 O ASP A 30 -6.779 2.434 -7.610 1.00 0.00 O ATOM 414 CB ASP A 30 -4.413 1.825 -9.289 1.00 0.00 C ATOM 415 CG ASP A 30 -5.262 3.036 -9.681 1.00 0.00 C ATOM 416 OD1 ASP A 30 -6.067 2.884 -10.625 1.00 0.00 O ATOM 417 OD2 ASP A 30 -5.088 4.087 -9.027 1.00 0.00 O ATOM 0 H ASP A 30 -6.603 0.382 -9.558 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.267 0.321 -7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.458 2.180 -8.901 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.197 1.246 -10.187 1.00 0.00 H new ATOM 422 N TRP A 31 -5.350 1.724 -6.007 1.00 0.00 N ATOM 423 CA TRP A 31 -5.977 2.497 -4.949 1.00 0.00 C ATOM 424 C TRP A 31 -5.175 3.787 -4.767 1.00 0.00 C ATOM 425 O TRP A 31 -4.023 3.751 -4.339 1.00 0.00 O ATOM 426 CB TRP A 31 -6.090 1.676 -3.663 1.00 0.00 C ATOM 427 CG TRP A 31 -6.419 2.507 -2.421 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.098 3.660 -2.356 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.053 2.200 -1.059 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.197 4.117 -1.058 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.541 3.200 -0.244 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.335 1.112 -0.534 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.363 3.213 1.145 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.165 1.139 0.856 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.650 2.139 1.691 1.00 0.00 C ATOM 0 H TRP A 31 -4.548 1.167 -5.711 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.001 2.759 -5.217 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.862 0.918 -3.795 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.150 1.149 -3.497 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.516 4.168 -3.213 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.665 4.970 -0.752 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.945 0.318 -1.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.755 4.009 1.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.619 0.326 1.311 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.478 2.088 2.756 1.00 0.00 H new ATOM 446 N THR A 32 -5.817 4.898 -5.100 1.00 0.00 N ATOM 447 CA THR A 32 -5.178 6.197 -4.978 1.00 0.00 C ATOM 448 C THR A 32 -4.996 6.566 -3.505 1.00 0.00 C ATOM 449 O THR A 32 -5.966 6.874 -2.814 1.00 0.00 O ATOM 450 CB THR A 32 -6.016 7.211 -5.760 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.359 8.454 -5.530 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.408 7.408 -5.157 1.00 0.00 C ATOM 0 H THR A 32 -6.773 4.925 -5.454 1.00 0.00 H new ATOM 0 HA THR A 32 -4.175 6.186 -5.403 1.00 0.00 H new ATOM 0 HB THR A 32 -6.112 6.882 -6.795 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.906 9.008 -4.935 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.961 8.137 -5.749 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.943 6.458 -5.158 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.313 7.769 -4.133 1.00 0.00 H new ATOM 460 N VAL A 33 -3.747 6.522 -3.067 1.00 0.00 N ATOM 461 CA VAL A 33 -3.425 6.848 -1.688 1.00 0.00 C ATOM 462 C VAL A 33 -2.596 8.134 -1.652 1.00 0.00 C ATOM 463 O VAL A 33 -1.485 8.175 -2.177 1.00 0.00 O ATOM 464 CB VAL A 33 -2.722 5.665 -1.020 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.405 5.970 0.445 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.557 4.389 -1.147 1.00 0.00 C ATOM 0 H VAL A 33 -2.945 6.265 -3.643 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.335 7.032 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.777 5.501 -1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.906 5.112 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.752 6.841 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.331 6.174 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.035 3.563 -0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.524 4.538 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.708 4.156 -2.201 1.00 0.00 H new ATOM 476 N HIS A 34 -3.169 9.152 -1.027 1.00 0.00 N ATOM 477 CA HIS A 34 -2.497 10.436 -0.916 1.00 0.00 C ATOM 478 C HIS A 34 -1.813 10.540 0.449 1.00 0.00 C ATOM 479 O HIS A 34 -0.859 11.300 0.613 1.00 0.00 O ATOM 480 CB HIS A 34 -3.472 11.584 -1.180 1.00 0.00 C ATOM 481 CG HIS A 34 -4.305 11.408 -2.427 1.00 0.00 C ATOM 482 ND1 HIS A 34 -4.447 12.402 -3.380 1.00 0.00 N ATOM 483 CD2 HIS A 34 -5.037 10.345 -2.868 1.00 0.00 C ATOM 484 CE1 HIS A 34 -5.232 11.946 -4.346 1.00 0.00 C ATOM 485 NE2 HIS A 34 -5.597 10.671 -4.026 1.00 0.00 N ATOM 0 H HIS A 34 -4.091 9.114 -0.592 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.722 10.513 -1.679 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.137 11.686 -0.323 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.909 12.514 -1.260 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.020 13.328 -3.345 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.143 9.398 -2.360 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.530 12.489 -5.231 1.00 0.00 H new ATOM 493 N SER A 35 -2.327 9.767 1.393 1.00 0.00 N ATOM 494 CA SER A 35 -1.778 9.763 2.739 1.00 0.00 C ATOM 495 C SER A 35 -0.877 8.542 2.933 1.00 0.00 C ATOM 496 O SER A 35 -0.976 7.847 3.943 1.00 0.00 O ATOM 497 CB SER A 35 -2.892 9.772 3.788 1.00 0.00 C ATOM 498 OG SER A 35 -3.070 11.062 4.366 1.00 0.00 O ATOM 0 H SER A 35 -3.118 9.139 1.253 1.00 0.00 H new ATOM 0 HA SER A 35 -1.185 10.668 2.869 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.826 9.449 3.328 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.657 9.052 4.572 1.00 0.00 H new ATOM 0 HG SER A 35 -3.791 11.027 5.029 1.00 0.00 H new ATOM 504 N GLY A 36 -0.018 8.318 1.949 1.00 0.00 N ATOM 505 CA GLY A 36 0.901 7.194 1.999 1.00 0.00 C ATOM 506 C GLY A 36 1.433 6.983 3.417 1.00 0.00 C ATOM 507 O GLY A 36 1.363 5.878 3.953 1.00 0.00 O ATOM 0 H GLY A 36 0.061 8.896 1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.395 6.291 1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.733 7.369 1.317 1.00 0.00 H new ATOM 511 N PRO A 37 1.968 8.089 4.001 1.00 0.00 N ATOM 512 CA PRO A 37 2.512 8.036 5.347 1.00 0.00 C ATOM 513 C PRO A 37 1.393 7.984 6.389 1.00 0.00 C ATOM 514 O PRO A 37 1.517 7.303 7.406 1.00 0.00 O ATOM 515 CB PRO A 37 3.381 9.277 5.469 1.00 0.00 C ATOM 516 CG PRO A 37 2.926 10.215 4.363 1.00 0.00 C ATOM 517 CD PRO A 37 2.068 9.414 3.397 1.00 0.00 C ATOM 0 HA PRO A 37 3.099 7.136 5.529 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.263 9.741 6.448 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.436 9.027 5.360 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.358 11.048 4.778 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.786 10.642 3.846 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.085 9.867 3.272 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.525 9.365 2.409 1.00 0.00 H new ATOM 525 N GLN A 38 0.325 8.714 6.101 1.00 0.00 N ATOM 526 CA GLN A 38 -0.815 8.760 7.000 1.00 0.00 C ATOM 527 C GLN A 38 -1.809 7.649 6.655 1.00 0.00 C ATOM 528 O GLN A 38 -3.021 7.853 6.717 1.00 0.00 O ATOM 529 CB GLN A 38 -1.491 10.132 6.960 1.00 0.00 C ATOM 530 CG GLN A 38 -2.102 10.483 8.318 1.00 0.00 C ATOM 531 CD GLN A 38 -2.077 11.994 8.557 1.00 0.00 C ATOM 532 OE1 GLN A 38 -3.066 12.690 8.401 1.00 0.00 O ATOM 533 NE2 GLN A 38 -0.893 12.460 8.943 1.00 0.00 N ATOM 0 H GLN A 38 0.226 9.278 5.257 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.457 8.598 8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.762 10.892 6.678 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.268 10.136 6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.129 10.121 8.363 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.551 9.977 9.110 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.105 11.822 9.054 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.772 13.456 9.128 1.00 0.00 H new ATOM 542 N LEU A 39 -1.260 6.497 6.298 1.00 0.00 N ATOM 543 CA LEU A 39 -2.083 5.354 5.942 1.00 0.00 C ATOM 544 C LEU A 39 -1.988 4.300 7.046 1.00 0.00 C ATOM 545 O LEU A 39 -0.916 4.076 7.606 1.00 0.00 O ATOM 546 CB LEU A 39 -1.702 4.829 4.556 1.00 0.00 C ATOM 547 CG LEU A 39 -2.541 3.666 4.025 1.00 0.00 C ATOM 548 CD1 LEU A 39 -3.933 4.141 3.605 1.00 0.00 C ATOM 549 CD2 LEU A 39 -1.816 2.940 2.890 1.00 0.00 C ATOM 0 H LEU A 39 -0.255 6.331 6.248 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.130 5.647 5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.769 5.653 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.658 4.516 4.582 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.677 2.946 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.509 3.294 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.444 4.576 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.840 4.891 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.434 2.117 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.629 3.637 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.867 2.547 3.256 1.00 0.00 H new ATOM 561 N LEU A 40 -3.125 3.679 7.327 1.00 0.00 N ATOM 562 CA LEU A 40 -3.183 2.653 8.355 1.00 0.00 C ATOM 563 C LEU A 40 -3.513 1.307 7.707 1.00 0.00 C ATOM 564 O LEU A 40 -3.990 1.259 6.575 1.00 0.00 O ATOM 565 CB LEU A 40 -4.159 3.059 9.461 1.00 0.00 C ATOM 566 CG LEU A 40 -3.770 4.291 10.280 1.00 0.00 C ATOM 567 CD1 LEU A 40 -4.964 4.818 11.079 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.566 3.997 11.177 1.00 0.00 C ATOM 0 H LEU A 40 -4.013 3.867 6.861 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.213 2.544 8.841 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.134 3.241 9.009 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.276 2.216 10.142 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.471 5.079 9.589 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.660 5.694 11.652 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.767 5.093 10.395 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.317 4.043 11.760 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.311 4.890 11.748 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.812 3.186 11.862 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.716 3.705 10.561 1.00 0.00 H new ATOM 580 N PHE A 41 -3.244 0.246 8.454 1.00 0.00 N ATOM 581 CA PHE A 41 -3.507 -1.098 7.967 1.00 0.00 C ATOM 582 C PHE A 41 -4.992 -1.287 7.653 1.00 0.00 C ATOM 583 O PHE A 41 -5.349 -1.718 6.557 1.00 0.00 O ATOM 584 CB PHE A 41 -3.106 -2.065 9.083 1.00 0.00 C ATOM 585 CG PHE A 41 -3.261 -3.541 8.713 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.620 -4.040 7.622 1.00 0.00 C ATOM 587 CD2 PHE A 41 -4.041 -4.355 9.475 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.764 -5.410 7.279 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.185 -5.725 9.131 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.544 -6.224 8.041 1.00 0.00 C ATOM 0 H PHE A 41 -2.847 0.290 9.392 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.944 -1.278 7.051 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.068 -1.877 9.357 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.711 -1.857 9.965 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.001 -3.394 7.017 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.550 -3.959 10.341 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.254 -5.806 6.413 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.804 -6.371 9.736 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.654 -7.266 7.780 1.00 0.00 H new ATOM 600 N ARG A 42 -5.818 -0.956 8.634 1.00 0.00 N ATOM 601 CA ARG A 42 -7.257 -1.084 8.476 1.00 0.00 C ATOM 602 C ARG A 42 -7.709 -0.425 7.171 1.00 0.00 C ATOM 603 O ARG A 42 -8.417 -1.038 6.375 1.00 0.00 O ATOM 604 CB ARG A 42 -7.999 -0.440 9.649 1.00 0.00 C ATOM 605 CG ARG A 42 -7.524 -1.019 10.983 1.00 0.00 C ATOM 606 CD ARG A 42 -7.573 -2.548 10.966 1.00 0.00 C ATOM 607 NE ARG A 42 -8.835 -3.007 10.344 1.00 0.00 N ATOM 608 CZ ARG A 42 -9.017 -4.230 9.828 1.00 0.00 C ATOM 609 NH1 ARG A 42 -8.019 -5.124 9.856 1.00 0.00 N ATOM 610 NH2 ARG A 42 -10.196 -4.559 9.283 1.00 0.00 N ATOM 0 H ARG A 42 -5.519 -0.599 9.541 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.495 -2.148 8.451 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.837 0.638 9.638 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.071 -0.603 9.539 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.506 -0.687 11.186 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.150 -0.641 11.791 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.721 -2.941 10.412 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.498 -2.934 11.983 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.615 -2.351 10.306 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.121 -4.873 10.270 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.157 -6.055 9.463 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.955 -3.878 9.261 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.334 -5.490 8.890 1.00 0.00 H new ATOM 624 N ASP A 43 -7.280 0.816 6.994 1.00 0.00 N ATOM 625 CA ASP A 43 -7.631 1.566 5.799 1.00 0.00 C ATOM 626 C ASP A 43 -7.526 0.650 4.578 1.00 0.00 C ATOM 627 O ASP A 43 -8.464 0.551 3.789 1.00 0.00 O ATOM 628 CB ASP A 43 -6.680 2.745 5.589 1.00 0.00 C ATOM 629 CG ASP A 43 -6.799 3.864 6.626 1.00 0.00 C ATOM 630 OD1 ASP A 43 -7.228 3.547 7.756 1.00 0.00 O ATOM 631 OD2 ASP A 43 -6.457 5.011 6.265 1.00 0.00 O ATOM 0 H ASP A 43 -6.693 1.321 7.658 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.647 1.941 5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.656 2.372 5.595 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.860 3.166 4.600 1.00 0.00 H new ATOM 636 N VAL A 44 -6.375 0.003 4.462 1.00 0.00 N ATOM 637 CA VAL A 44 -6.135 -0.902 3.350 1.00 0.00 C ATOM 638 C VAL A 44 -7.265 -1.931 3.282 1.00 0.00 C ATOM 639 O VAL A 44 -7.804 -2.195 2.208 1.00 0.00 O ATOM 640 CB VAL A 44 -4.752 -1.542 3.486 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.476 -2.502 2.327 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.661 -0.473 3.584 1.00 0.00 C ATOM 0 H VAL A 44 -5.599 0.087 5.119 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.135 -0.356 2.407 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.739 -2.120 4.410 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.487 -2.943 2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.227 -3.292 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.517 -1.956 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.688 -0.954 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.674 0.144 2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.843 0.154 4.457 1.00 0.00 H new ATOM 652 N LEU A 45 -7.591 -2.483 4.441 1.00 0.00 N ATOM 653 CA LEU A 45 -8.647 -3.477 4.527 1.00 0.00 C ATOM 654 C LEU A 45 -9.992 -2.813 4.221 1.00 0.00 C ATOM 655 O LEU A 45 -10.874 -3.434 3.630 1.00 0.00 O ATOM 656 CB LEU A 45 -8.606 -4.188 5.881 1.00 0.00 C ATOM 657 CG LEU A 45 -7.401 -5.097 6.124 1.00 0.00 C ATOM 658 CD1 LEU A 45 -6.967 -5.791 4.831 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.251 -4.323 6.773 1.00 0.00 C ATOM 0 H LEU A 45 -7.142 -2.260 5.329 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.498 -4.257 3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.631 -3.433 6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.513 -4.784 5.984 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.699 -5.878 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.108 -6.431 5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.789 -6.396 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.694 -5.040 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.407 -4.993 6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.946 -3.507 6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.580 -3.917 7.729 1.00 0.00 H new ATOM 671 N ASP A 46 -10.105 -1.560 4.636 1.00 0.00 N ATOM 672 CA ASP A 46 -11.327 -0.806 4.414 1.00 0.00 C ATOM 673 C ASP A 46 -11.485 -0.529 2.918 1.00 0.00 C ATOM 674 O ASP A 46 -12.599 -0.339 2.432 1.00 0.00 O ATOM 675 CB ASP A 46 -11.284 0.539 5.142 1.00 0.00 C ATOM 676 CG ASP A 46 -11.876 0.530 6.553 1.00 0.00 C ATOM 677 OD1 ASP A 46 -13.122 0.534 6.646 1.00 0.00 O ATOM 678 OD2 ASP A 46 -11.068 0.518 7.507 1.00 0.00 O ATOM 0 H ASP A 46 -9.371 -1.048 5.125 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.161 -1.395 4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.247 0.870 5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.820 1.276 4.544 1.00 0.00 H new ATOM 683 N VAL A 47 -10.354 -0.514 2.229 1.00 0.00 N ATOM 684 CA VAL A 47 -10.353 -0.263 0.797 1.00 0.00 C ATOM 685 C VAL A 47 -10.535 -1.586 0.052 1.00 0.00 C ATOM 686 O VAL A 47 -11.499 -1.754 -0.694 1.00 0.00 O ATOM 687 CB VAL A 47 -9.075 0.478 0.397 1.00 0.00 C ATOM 688 CG1 VAL A 47 -8.944 0.561 -1.125 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.027 1.871 1.028 1.00 0.00 C ATOM 0 H VAL A 47 -9.432 -0.671 2.635 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.187 0.382 0.521 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.226 -0.090 0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.028 1.092 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.910 -0.445 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.801 1.095 -1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.109 2.375 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.886 2.452 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.052 1.780 2.114 1.00 0.00 H new ATOM 699 N ILE A 48 -9.595 -2.491 0.279 1.00 0.00 N ATOM 700 CA ILE A 48 -9.640 -3.794 -0.362 1.00 0.00 C ATOM 701 C ILE A 48 -11.066 -4.345 -0.288 1.00 0.00 C ATOM 702 O ILE A 48 -11.556 -4.939 -1.248 1.00 0.00 O ATOM 703 CB ILE A 48 -8.589 -4.726 0.244 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.185 -4.354 -0.235 1.00 0.00 C ATOM 705 CG2 ILE A 48 -8.923 -6.191 -0.045 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.126 -5.230 0.438 1.00 0.00 C ATOM 0 H ILE A 48 -8.797 -2.348 0.898 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.385 -3.708 -1.418 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.604 -4.599 1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.124 -4.470 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.988 -3.305 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.160 -6.832 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.895 -6.434 0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -8.952 -6.352 -1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.137 -4.945 0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.174 -5.094 1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.312 -6.276 0.196 1.00 0.00 H new ATOM 718 N GLY A 49 -11.691 -4.128 0.859 1.00 0.00 N ATOM 719 CA GLY A 49 -13.051 -4.595 1.071 1.00 0.00 C ATOM 720 C GLY A 49 -13.963 -4.167 -0.081 1.00 0.00 C ATOM 721 O GLY A 49 -14.883 -4.893 -0.452 1.00 0.00 O ATOM 0 H GLY A 49 -11.281 -3.635 1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.057 -5.681 1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.434 -4.196 2.010 1.00 0.00 H new ATOM 725 N GLN A 50 -13.676 -2.988 -0.614 1.00 0.00 N ATOM 726 CA GLN A 50 -14.459 -2.454 -1.715 1.00 0.00 C ATOM 727 C GLN A 50 -14.027 -3.097 -3.034 1.00 0.00 C ATOM 728 O GLN A 50 -14.840 -3.271 -3.940 1.00 0.00 O ATOM 729 CB GLN A 50 -14.340 -0.930 -1.783 1.00 0.00 C ATOM 730 CG GLN A 50 -14.644 -0.295 -0.425 1.00 0.00 C ATOM 731 CD GLN A 50 -15.698 0.806 -0.558 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.841 0.568 -0.909 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.250 2.022 -0.258 1.00 0.00 N ATOM 0 H GLN A 50 -12.912 -2.388 -0.304 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.507 -2.697 -1.541 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.334 -0.654 -2.100 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.029 -0.541 -2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -14.997 -1.060 0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.730 0.121 -0.001 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.280 2.152 0.029 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.877 2.825 -0.315 1.00 0.00 H new ATOM 742 N VAL A 51 -12.747 -3.433 -3.101 1.00 0.00 N ATOM 743 CA VAL A 51 -12.197 -4.053 -4.294 1.00 0.00 C ATOM 744 C VAL A 51 -12.656 -5.511 -4.364 1.00 0.00 C ATOM 745 O VAL A 51 -13.040 -5.994 -5.428 1.00 0.00 O ATOM 746 CB VAL A 51 -10.674 -3.905 -4.306 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.067 -4.580 -5.539 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.265 -2.433 -4.230 1.00 0.00 C ATOM 0 H VAL A 51 -12.075 -3.287 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.566 -3.552 -5.189 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.282 -4.407 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.984 -4.460 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.315 -5.641 -5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.470 -4.120 -6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.178 -2.356 -4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.675 -1.897 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.651 -1.995 -3.309 1.00 0.00 H new ATOM 758 N LEU A 52 -12.602 -6.171 -3.216 1.00 0.00 N ATOM 759 CA LEU A 52 -13.007 -7.564 -3.134 1.00 0.00 C ATOM 760 C LEU A 52 -14.154 -7.698 -2.130 1.00 0.00 C ATOM 761 O LEU A 52 -13.944 -8.127 -0.996 1.00 0.00 O ATOM 762 CB LEU A 52 -11.804 -8.454 -2.817 1.00 0.00 C ATOM 763 CG LEU A 52 -10.907 -8.817 -4.002 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.041 -7.626 -4.418 1.00 0.00 C ATOM 765 CD2 LEU A 52 -10.067 -10.057 -3.694 1.00 0.00 C ATOM 0 H LEU A 52 -12.284 -5.767 -2.335 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.384 -7.909 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.194 -7.952 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.169 -9.377 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.545 -9.064 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.413 -7.910 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.682 -6.793 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.410 -7.325 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.439 -10.293 -4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.437 -9.863 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.726 -10.900 -3.484 1.00 0.00 H new ATOM 777 N PRO A 53 -15.373 -7.312 -2.593 1.00 0.00 N ATOM 778 CA PRO A 53 -16.552 -7.385 -1.748 1.00 0.00 C ATOM 779 C PRO A 53 -17.029 -8.831 -1.596 1.00 0.00 C ATOM 780 O PRO A 53 -17.745 -9.156 -0.650 1.00 0.00 O ATOM 781 CB PRO A 53 -17.577 -6.490 -2.426 1.00 0.00 C ATOM 782 CG PRO A 53 -17.099 -6.319 -3.858 1.00 0.00 C ATOM 783 CD PRO A 53 -15.659 -6.798 -3.930 1.00 0.00 C ATOM 0 HA PRO A 53 -16.361 -7.049 -0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.569 -6.941 -2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.649 -5.527 -1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.726 -6.892 -4.541 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.169 -5.274 -4.162 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.537 -7.573 -4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.984 -5.984 -4.195 1.00 0.00 H new ATOM 791 N GLU A 54 -16.613 -9.660 -2.542 1.00 0.00 N ATOM 792 CA GLU A 54 -16.988 -11.064 -2.525 1.00 0.00 C ATOM 793 C GLU A 54 -15.850 -11.911 -1.952 1.00 0.00 C ATOM 794 O GLU A 54 -15.945 -13.137 -1.908 1.00 0.00 O ATOM 795 CB GLU A 54 -17.379 -11.544 -3.924 1.00 0.00 C ATOM 796 CG GLU A 54 -17.695 -10.361 -4.841 1.00 0.00 C ATOM 797 CD GLU A 54 -18.628 -10.783 -5.978 1.00 0.00 C ATOM 798 OE1 GLU A 54 -18.187 -11.624 -6.792 1.00 0.00 O ATOM 799 OE2 GLU A 54 -19.760 -10.255 -6.008 1.00 0.00 O ATOM 0 H GLU A 54 -16.020 -9.386 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 54 -17.860 -11.179 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -16.567 -12.133 -4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -18.247 -12.200 -3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -18.159 -9.562 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -16.770 -9.960 -5.255 1.00 0.00 H new ATOM 806 N ALA A 55 -14.799 -11.224 -1.528 1.00 0.00 N ATOM 807 CA ALA A 55 -13.644 -11.898 -0.960 1.00 0.00 C ATOM 808 C ALA A 55 -12.968 -10.974 0.054 1.00 0.00 C ATOM 809 O ALA A 55 -11.957 -10.344 -0.253 1.00 0.00 O ATOM 810 CB ALA A 55 -12.697 -12.324 -2.084 1.00 0.00 C ATOM 0 H ALA A 55 -14.723 -10.208 -1.567 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.948 -12.801 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.831 -12.830 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.217 -13.003 -2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.368 -11.443 -2.636 1.00 0.00 H new ATOM 816 N THR A 56 -13.553 -10.922 1.242 1.00 0.00 N ATOM 817 CA THR A 56 -13.019 -10.085 2.303 1.00 0.00 C ATOM 818 C THR A 56 -11.503 -10.266 2.414 1.00 0.00 C ATOM 819 O THR A 56 -10.941 -11.194 1.834 1.00 0.00 O ATOM 820 CB THR A 56 -13.767 -10.423 3.594 1.00 0.00 C ATOM 821 OG1 THR A 56 -15.076 -9.901 3.383 1.00 0.00 O ATOM 822 CG2 THR A 56 -13.242 -9.639 4.798 1.00 0.00 C ATOM 0 H THR A 56 -14.391 -11.446 1.493 1.00 0.00 H new ATOM 0 HA THR A 56 -13.174 -9.028 2.088 1.00 0.00 H new ATOM 0 HB THR A 56 -13.683 -11.491 3.793 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.630 -10.078 4.172 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.807 -9.917 5.688 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.188 -9.870 4.951 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.356 -8.571 4.614 1.00 0.00 H new ATOM 830 N THR A 57 -10.885 -9.365 3.163 1.00 0.00 N ATOM 831 CA THR A 57 -9.446 -9.414 3.357 1.00 0.00 C ATOM 832 C THR A 57 -9.056 -8.675 4.639 1.00 0.00 C ATOM 833 O THR A 57 -9.565 -7.589 4.913 1.00 0.00 O ATOM 834 CB THR A 57 -8.780 -8.847 2.102 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.687 -9.965 1.223 1.00 0.00 O ATOM 836 CG2 THR A 57 -7.325 -8.441 2.343 1.00 0.00 C ATOM 0 H THR A 57 -11.354 -8.597 3.643 1.00 0.00 H new ATOM 0 HA THR A 57 -9.099 -10.439 3.491 1.00 0.00 H new ATOM 0 HB THR A 57 -9.344 -7.983 1.751 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.299 -10.669 1.523 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.900 -8.045 1.421 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.284 -7.676 3.119 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.752 -9.312 2.662 1.00 0.00 H new ATOM 844 N THR A 58 -8.155 -9.292 5.389 1.00 0.00 N ATOM 845 CA THR A 58 -7.690 -8.706 6.635 1.00 0.00 C ATOM 846 C THR A 58 -6.210 -8.333 6.529 1.00 0.00 C ATOM 847 O THR A 58 -5.753 -7.402 7.190 1.00 0.00 O ATOM 848 CB THR A 58 -7.988 -9.696 7.762 1.00 0.00 C ATOM 849 OG1 THR A 58 -9.409 -9.688 7.866 1.00 0.00 O ATOM 850 CG2 THR A 58 -7.512 -9.191 9.126 1.00 0.00 C ATOM 0 H THR A 58 -7.734 -10.192 5.158 1.00 0.00 H new ATOM 0 HA THR A 58 -8.212 -7.775 6.854 1.00 0.00 H new ATOM 0 HB THR A 58 -7.511 -10.651 7.541 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.689 -10.305 8.574 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.748 -9.931 9.891 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.435 -9.029 9.098 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.014 -8.253 9.362 1.00 0.00 H new ATOM 858 N ALA A 59 -5.503 -9.079 5.693 1.00 0.00 N ATOM 859 CA ALA A 59 -4.084 -8.838 5.493 1.00 0.00 C ATOM 860 C ALA A 59 -3.771 -8.879 3.996 1.00 0.00 C ATOM 861 O ALA A 59 -4.620 -9.257 3.190 1.00 0.00 O ATOM 862 CB ALA A 59 -3.274 -9.866 6.286 1.00 0.00 C ATOM 0 H ALA A 59 -5.886 -9.850 5.146 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.807 -7.850 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.210 -9.685 6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.511 -9.777 7.346 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.523 -10.870 5.942 1.00 0.00 H new ATOM 868 N PHE A 60 -2.549 -8.484 3.669 1.00 0.00 N ATOM 869 CA PHE A 60 -2.113 -8.471 2.283 1.00 0.00 C ATOM 870 C PHE A 60 -0.592 -8.604 2.185 1.00 0.00 C ATOM 871 O PHE A 60 0.128 -8.232 3.110 1.00 0.00 O ATOM 872 CB PHE A 60 -2.533 -7.122 1.694 1.00 0.00 C ATOM 873 CG PHE A 60 -2.158 -5.920 2.563 1.00 0.00 C ATOM 874 CD1 PHE A 60 -2.979 -5.530 3.575 1.00 0.00 C ATOM 875 CD2 PHE A 60 -1.004 -5.242 2.324 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.630 -4.414 4.382 1.00 0.00 C ATOM 877 CE2 PHE A 60 -0.655 -4.127 3.131 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.476 -3.736 4.142 1.00 0.00 C ATOM 0 H PHE A 60 -1.847 -8.171 4.340 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.560 -9.307 1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.072 -7.006 0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.612 -7.124 1.541 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.896 -6.068 3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.353 -5.552 1.520 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.281 -4.104 5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.262 -3.590 2.942 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.211 -2.887 4.755 1.00 0.00 H new ATOM 888 N GLU A 61 -0.148 -9.137 1.056 1.00 0.00 N ATOM 889 CA GLU A 61 1.274 -9.324 0.825 1.00 0.00 C ATOM 890 C GLU A 61 1.782 -8.314 -0.206 1.00 0.00 C ATOM 891 O GLU A 61 1.012 -7.820 -1.028 1.00 0.00 O ATOM 892 CB GLU A 61 1.573 -10.758 0.381 1.00 0.00 C ATOM 893 CG GLU A 61 1.266 -11.753 1.501 1.00 0.00 C ATOM 894 CD GLU A 61 1.897 -13.117 1.211 1.00 0.00 C ATOM 895 OE1 GLU A 61 3.119 -13.238 1.445 1.00 0.00 O ATOM 896 OE2 GLU A 61 1.143 -14.007 0.763 1.00 0.00 O ATOM 0 H GLU A 61 -0.748 -9.445 0.291 1.00 0.00 H new ATOM 0 HA GLU A 61 1.801 -9.151 1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.979 -11.001 -0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.621 -10.842 0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.643 -11.368 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.187 -11.863 1.609 1.00 0.00 H new ATOM 903 N TYR A 62 3.076 -8.037 -0.128 1.00 0.00 N ATOM 904 CA TYR A 62 3.696 -7.095 -1.044 1.00 0.00 C ATOM 905 C TYR A 62 5.157 -7.466 -1.307 1.00 0.00 C ATOM 906 O TYR A 62 5.928 -7.666 -0.370 1.00 0.00 O ATOM 907 CB TYR A 62 3.645 -5.734 -0.347 1.00 0.00 C ATOM 908 CG TYR A 62 4.825 -5.470 0.590 1.00 0.00 C ATOM 909 CD1 TYR A 62 6.065 -5.163 0.068 1.00 0.00 C ATOM 910 CD2 TYR A 62 4.650 -5.540 1.957 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.176 -4.914 0.949 1.00 0.00 C ATOM 912 CE2 TYR A 62 5.761 -5.292 2.839 1.00 0.00 C ATOM 913 CZ TYR A 62 6.969 -4.991 2.291 1.00 0.00 C ATOM 914 OH TYR A 62 8.019 -4.757 3.124 1.00 0.00 O ATOM 0 H TYR A 62 3.712 -8.449 0.555 1.00 0.00 H new ATOM 0 HA TYR A 62 3.177 -7.094 -2.003 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.613 -4.951 -1.104 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.719 -5.664 0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.202 -5.110 -1.002 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.680 -5.781 2.365 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.151 -4.672 0.553 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.638 -5.344 3.911 1.00 0.00 H new ATOM 0 HH TYR A 62 7.724 -4.845 4.054 1.00 0.00 H new ATOM 924 N GLU A 63 5.493 -7.547 -2.586 1.00 0.00 N ATOM 925 CA GLU A 63 6.847 -7.890 -2.983 1.00 0.00 C ATOM 926 C GLU A 63 7.846 -6.909 -2.368 1.00 0.00 C ATOM 927 O GLU A 63 7.707 -5.696 -2.523 1.00 0.00 O ATOM 928 CB GLU A 63 6.980 -7.923 -4.507 1.00 0.00 C ATOM 929 CG GLU A 63 6.769 -9.340 -5.045 1.00 0.00 C ATOM 930 CD GLU A 63 6.172 -9.309 -6.453 1.00 0.00 C ATOM 931 OE1 GLU A 63 6.149 -8.203 -7.036 1.00 0.00 O ATOM 932 OE2 GLU A 63 5.753 -10.392 -6.916 1.00 0.00 O ATOM 0 H GLU A 63 4.850 -7.381 -3.361 1.00 0.00 H new ATOM 0 HA GLU A 63 7.071 -8.889 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.250 -7.248 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.967 -7.563 -4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.720 -9.872 -5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.107 -9.891 -4.377 1.00 0.00 H new ATOM 939 N ASP A 64 8.832 -7.469 -1.682 1.00 0.00 N ATOM 940 CA ASP A 64 9.854 -6.658 -1.042 1.00 0.00 C ATOM 941 C ASP A 64 11.045 -6.505 -1.990 1.00 0.00 C ATOM 942 O ASP A 64 10.993 -6.953 -3.134 1.00 0.00 O ATOM 943 CB ASP A 64 10.355 -7.317 0.245 1.00 0.00 C ATOM 944 CG ASP A 64 10.797 -8.774 0.094 1.00 0.00 C ATOM 945 OD1 ASP A 64 9.925 -9.599 -0.255 1.00 0.00 O ATOM 946 OD2 ASP A 64 11.998 -9.030 0.332 1.00 0.00 O ATOM 0 H ASP A 64 8.945 -8.475 -1.555 1.00 0.00 H new ATOM 0 HA ASP A 64 9.415 -5.689 -0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.193 -6.737 0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.563 -7.269 0.993 1.00 0.00 H new ATOM 951 N GLU A 65 12.090 -5.871 -1.478 1.00 0.00 N ATOM 952 CA GLU A 65 13.292 -5.654 -2.265 1.00 0.00 C ATOM 953 C GLU A 65 13.839 -6.987 -2.778 1.00 0.00 C ATOM 954 O GLU A 65 14.397 -7.053 -3.872 1.00 0.00 O ATOM 955 CB GLU A 65 14.350 -4.903 -1.453 1.00 0.00 C ATOM 956 CG GLU A 65 14.939 -5.797 -0.361 1.00 0.00 C ATOM 957 CD GLU A 65 15.886 -5.005 0.544 1.00 0.00 C ATOM 958 OE1 GLU A 65 16.703 -4.244 -0.018 1.00 0.00 O ATOM 959 OE2 GLU A 65 15.772 -5.180 1.776 1.00 0.00 O ATOM 0 H GLU A 65 12.129 -5.501 -0.528 1.00 0.00 H new ATOM 0 HA GLU A 65 13.033 -5.035 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.145 -4.559 -2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.905 -4.016 -1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.134 -6.227 0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.476 -6.628 -0.817 1.00 0.00 H new ATOM 966 N ASP A 66 13.660 -8.017 -1.963 1.00 0.00 N ATOM 967 CA ASP A 66 14.129 -9.344 -2.321 1.00 0.00 C ATOM 968 C ASP A 66 12.984 -10.127 -2.968 1.00 0.00 C ATOM 969 O ASP A 66 13.051 -11.350 -3.082 1.00 0.00 O ATOM 970 CB ASP A 66 14.591 -10.118 -1.084 1.00 0.00 C ATOM 971 CG ASP A 66 16.101 -10.342 -0.989 1.00 0.00 C ATOM 972 OD1 ASP A 66 16.838 -9.448 -1.457 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.484 -11.403 -0.450 1.00 0.00 O ATOM 0 H ASP A 66 13.197 -7.959 -1.056 1.00 0.00 H new ATOM 0 HA ASP A 66 14.967 -9.231 -3.009 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.262 -9.581 -0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.094 -11.088 -1.074 1.00 0.00 H new ATOM 978 N GLY A 67 11.961 -9.390 -3.374 1.00 0.00 N ATOM 979 CA GLY A 67 10.804 -10.000 -4.006 1.00 0.00 C ATOM 980 C GLY A 67 10.481 -11.354 -3.370 1.00 0.00 C ATOM 981 O GLY A 67 10.476 -12.378 -4.051 1.00 0.00 O ATOM 0 H GLY A 67 11.909 -8.376 -3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.944 -9.337 -3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.994 -10.131 -5.071 1.00 0.00 H new ATOM 985 N ASP A 68 10.220 -11.314 -2.072 1.00 0.00 N ATOM 986 CA ASP A 68 9.897 -12.525 -1.336 1.00 0.00 C ATOM 987 C ASP A 68 8.437 -12.467 -0.882 1.00 0.00 C ATOM 988 O ASP A 68 7.958 -13.373 -0.202 1.00 0.00 O ATOM 989 CB ASP A 68 10.774 -12.663 -0.091 1.00 0.00 C ATOM 990 CG ASP A 68 11.058 -14.102 0.344 1.00 0.00 C ATOM 991 OD1 ASP A 68 10.290 -14.988 -0.089 1.00 0.00 O ATOM 992 OD2 ASP A 68 12.037 -14.284 1.100 1.00 0.00 O ATOM 0 H ASP A 68 10.226 -10.462 -1.511 1.00 0.00 H new ATOM 0 HA ASP A 68 10.070 -13.376 -1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.724 -12.161 -0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.292 -12.138 0.734 1.00 0.00 H new ATOM 997 N ARG A 69 7.770 -11.392 -1.277 1.00 0.00 N ATOM 998 CA ARG A 69 6.375 -11.203 -0.919 1.00 0.00 C ATOM 999 C ARG A 69 6.210 -11.218 0.602 1.00 0.00 C ATOM 1000 O ARG A 69 6.253 -12.278 1.225 1.00 0.00 O ATOM 1001 CB ARG A 69 5.497 -12.297 -1.530 1.00 0.00 C ATOM 1002 CG ARG A 69 5.497 -12.211 -3.057 1.00 0.00 C ATOM 1003 CD ARG A 69 4.318 -11.374 -3.559 1.00 0.00 C ATOM 1004 NE ARG A 69 4.160 -11.547 -5.020 1.00 0.00 N ATOM 1005 CZ ARG A 69 3.758 -12.685 -5.603 1.00 0.00 C ATOM 1006 NH1 ARG A 69 3.472 -13.757 -4.852 1.00 0.00 N ATOM 1007 NH2 ARG A 69 3.643 -12.750 -6.936 1.00 0.00 N ATOM 0 H ARG A 69 8.170 -10.643 -1.842 1.00 0.00 H new ATOM 0 HA ARG A 69 6.060 -10.237 -1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.860 -13.276 -1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.477 -12.201 -1.157 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.433 -11.770 -3.400 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.443 -13.214 -3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.404 -11.675 -3.048 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.482 -10.322 -3.325 1.00 0.00 H new ATOM 0 HE ARG A 69 4.370 -10.750 -5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.560 -13.707 -3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.166 -14.623 -5.295 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.861 -11.934 -7.507 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.337 -13.616 -7.380 1.00 0.00 H new ATOM 1021 N ILE A 70 6.026 -10.029 1.157 1.00 0.00 N ATOM 1022 CA ILE A 70 5.855 -9.891 2.593 1.00 0.00 C ATOM 1023 C ILE A 70 4.384 -10.110 2.951 1.00 0.00 C ATOM 1024 O ILE A 70 3.553 -10.326 2.070 1.00 0.00 O ATOM 1025 CB ILE A 70 6.412 -8.549 3.073 1.00 0.00 C ATOM 1026 CG1 ILE A 70 7.662 -8.160 2.282 1.00 0.00 C ATOM 1027 CG2 ILE A 70 6.671 -8.571 4.581 1.00 0.00 C ATOM 1028 CD1 ILE A 70 8.731 -9.251 2.373 1.00 0.00 C ATOM 0 H ILE A 70 5.992 -9.152 0.637 1.00 0.00 H new ATOM 0 HA ILE A 70 6.428 -10.654 3.120 1.00 0.00 H new ATOM 0 HB ILE A 70 5.661 -7.781 2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.398 -7.991 1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.062 -7.221 2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.066 -7.605 4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.738 -8.770 5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.394 -9.353 4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.609 -8.949 1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.010 -9.400 3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.336 -10.182 1.966 1.00 0.00 H new ATOM 1040 N THR A 71 4.106 -10.046 4.245 1.00 0.00 N ATOM 1041 CA THR A 71 2.750 -10.234 4.729 1.00 0.00 C ATOM 1042 C THR A 71 2.418 -9.195 5.803 1.00 0.00 C ATOM 1043 O THR A 71 2.899 -9.287 6.931 1.00 0.00 O ATOM 1044 CB THR A 71 2.618 -11.677 5.220 1.00 0.00 C ATOM 1045 OG1 THR A 71 2.715 -12.458 4.031 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.220 -11.988 5.758 1.00 0.00 C ATOM 0 H THR A 71 4.798 -9.866 4.973 1.00 0.00 H new ATOM 0 HA THR A 71 2.022 -10.078 3.933 1.00 0.00 H new ATOM 0 HB THR A 71 3.356 -11.864 6.000 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.641 -13.409 4.257 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.181 -13.025 6.093 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.997 -11.327 6.596 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.484 -11.834 4.969 1.00 0.00 H new ATOM 1054 N VAL A 72 1.598 -8.230 5.413 1.00 0.00 N ATOM 1055 CA VAL A 72 1.196 -7.175 6.328 1.00 0.00 C ATOM 1056 C VAL A 72 -0.039 -7.626 7.109 1.00 0.00 C ATOM 1057 O VAL A 72 -1.136 -7.699 6.556 1.00 0.00 O ATOM 1058 CB VAL A 72 0.973 -5.871 5.558 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.592 -4.733 6.506 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.207 -5.506 4.730 1.00 0.00 C ATOM 0 H VAL A 72 1.201 -8.157 4.476 1.00 0.00 H new ATOM 0 HA VAL A 72 1.985 -6.978 7.053 1.00 0.00 H new ATOM 0 HB VAL A 72 0.142 -6.026 4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.439 -3.818 5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.328 -4.990 7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.392 -4.579 7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.022 -4.576 4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.064 -5.379 5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.414 -6.303 4.016 1.00 0.00 H new ATOM 1070 N ARG A 73 0.179 -7.917 8.383 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.903 -8.359 9.246 1.00 0.00 C ATOM 1072 C ARG A 73 -1.097 -7.375 10.401 1.00 0.00 C ATOM 1073 O ARG A 73 -2.002 -7.540 11.217 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.621 -9.751 9.814 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.835 -10.831 8.751 1.00 0.00 C ATOM 1076 CD ARG A 73 -0.633 -12.228 9.340 1.00 0.00 C ATOM 1077 NE ARG A 73 -1.690 -13.142 8.851 1.00 0.00 N ATOM 1078 CZ ARG A 73 -1.945 -14.346 9.379 1.00 0.00 C ATOM 1079 NH1 ARG A 73 -1.221 -14.790 10.416 1.00 0.00 N ATOM 1080 NH2 ARG A 73 -2.924 -15.107 8.871 1.00 0.00 N ATOM 0 H ARG A 73 1.090 -7.855 8.839 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.811 -8.401 8.644 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.404 -9.796 10.183 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.275 -9.939 10.666 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.841 -10.748 8.340 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.140 -10.677 7.926 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.348 -12.611 9.060 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.658 -12.180 10.429 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.260 -12.835 8.062 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.476 -14.211 10.803 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.415 -15.707 10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.475 -14.769 8.082 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.118 -16.024 9.273 1.00 0.00 H new ATOM 1094 N SER A 74 -0.231 -6.372 10.433 1.00 0.00 N ATOM 1095 CA SER A 74 -0.296 -5.361 11.475 1.00 0.00 C ATOM 1096 C SER A 74 0.243 -4.030 10.947 1.00 0.00 C ATOM 1097 O SER A 74 0.954 -3.999 9.944 1.00 0.00 O ATOM 1098 CB SER A 74 0.488 -5.796 12.715 1.00 0.00 C ATOM 1099 OG SER A 74 -0.083 -5.282 13.915 1.00 0.00 O ATOM 0 H SER A 74 0.519 -6.238 9.755 1.00 0.00 H new ATOM 0 HA SER A 74 -1.339 -5.235 11.764 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.515 -6.885 12.764 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.520 -5.455 12.630 1.00 0.00 H new ATOM 0 HG SER A 74 0.445 -5.583 14.684 1.00 0.00 H new ATOM 1105 N ASP A 75 -0.116 -2.963 11.645 1.00 0.00 N ATOM 1106 CA ASP A 75 0.322 -1.633 11.259 1.00 0.00 C ATOM 1107 C ASP A 75 1.844 -1.630 11.095 1.00 0.00 C ATOM 1108 O ASP A 75 2.374 -0.963 10.208 1.00 0.00 O ATOM 1109 CB ASP A 75 -0.039 -0.601 12.329 1.00 0.00 C ATOM 1110 CG ASP A 75 -0.955 0.529 11.855 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -0.763 0.968 10.700 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.827 0.928 12.657 1.00 0.00 O ATOM 0 H ASP A 75 -0.706 -2.993 12.477 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.175 -1.373 10.325 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.522 -1.115 13.160 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.882 -0.164 12.716 1.00 0.00 H new ATOM 1117 N GLU A 76 2.502 -2.383 11.963 1.00 0.00 N ATOM 1118 CA GLU A 76 3.952 -2.476 11.926 1.00 0.00 C ATOM 1119 C GLU A 76 4.425 -2.812 10.510 1.00 0.00 C ATOM 1120 O GLU A 76 5.158 -2.037 9.897 1.00 0.00 O ATOM 1121 CB GLU A 76 4.462 -3.508 12.933 1.00 0.00 C ATOM 1122 CG GLU A 76 5.929 -3.254 13.284 1.00 0.00 C ATOM 1123 CD GLU A 76 6.367 -4.117 14.468 1.00 0.00 C ATOM 1124 OE1 GLU A 76 5.686 -4.035 15.513 1.00 0.00 O ATOM 1125 OE2 GLU A 76 7.374 -4.840 14.302 1.00 0.00 O ATOM 0 H GLU A 76 2.058 -2.935 12.697 1.00 0.00 H new ATOM 0 HA GLU A 76 4.366 -1.508 12.208 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.856 -3.468 13.838 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.352 -4.510 12.519 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.556 -3.471 12.419 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.072 -2.201 13.525 1.00 0.00 H new ATOM 1132 N GLU A 77 3.987 -3.967 10.032 1.00 0.00 N ATOM 1133 CA GLU A 77 4.358 -4.415 8.700 1.00 0.00 C ATOM 1134 C GLU A 77 4.049 -3.327 7.670 1.00 0.00 C ATOM 1135 O GLU A 77 4.833 -3.097 6.750 1.00 0.00 O ATOM 1136 CB GLU A 77 3.649 -5.723 8.345 1.00 0.00 C ATOM 1137 CG GLU A 77 4.359 -6.921 8.980 1.00 0.00 C ATOM 1138 CD GLU A 77 5.011 -6.530 10.308 1.00 0.00 C ATOM 1139 OE1 GLU A 77 4.269 -6.485 11.313 1.00 0.00 O ATOM 1140 OE2 GLU A 77 6.237 -6.286 10.288 1.00 0.00 O ATOM 0 H GLU A 77 3.379 -4.607 10.543 1.00 0.00 H new ATOM 0 HA GLU A 77 5.431 -4.606 8.687 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.615 -5.685 8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.622 -5.844 7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.644 -7.727 9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.117 -7.303 8.297 1.00 0.00 H new ATOM 1147 N MET A 78 2.904 -2.686 7.858 1.00 0.00 N ATOM 1148 CA MET A 78 2.482 -1.628 6.956 1.00 0.00 C ATOM 1149 C MET A 78 3.576 -0.569 6.802 1.00 0.00 C ATOM 1150 O MET A 78 4.169 -0.436 5.733 1.00 0.00 O ATOM 1151 CB MET A 78 1.210 -0.972 7.498 1.00 0.00 C ATOM 1152 CG MET A 78 0.035 -1.182 6.542 1.00 0.00 C ATOM 1153 SD MET A 78 -0.107 0.210 5.434 1.00 0.00 S ATOM 1154 CE MET A 78 -0.808 1.420 6.544 1.00 0.00 C ATOM 0 H MET A 78 2.256 -2.879 8.622 1.00 0.00 H new ATOM 0 HA MET A 78 2.287 -2.067 5.978 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.968 -1.391 8.475 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.380 0.095 7.642 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.180 -2.099 5.971 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.888 -1.302 7.109 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.798 1.708 6.190 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.889 0.993 7.543 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.165 2.299 6.577 1.00 0.00 H new ATOM 1164 N LYS A 79 3.810 0.156 7.886 1.00 0.00 N ATOM 1165 CA LYS A 79 4.823 1.198 7.885 1.00 0.00 C ATOM 1166 C LYS A 79 6.078 0.683 7.178 1.00 0.00 C ATOM 1167 O LYS A 79 6.713 1.415 6.421 1.00 0.00 O ATOM 1168 CB LYS A 79 5.080 1.697 9.308 1.00 0.00 C ATOM 1169 CG LYS A 79 4.028 2.726 9.726 1.00 0.00 C ATOM 1170 CD LYS A 79 4.265 3.201 11.162 1.00 0.00 C ATOM 1171 CE LYS A 79 2.942 3.362 11.912 1.00 0.00 C ATOM 1172 NZ LYS A 79 2.757 4.766 12.342 1.00 0.00 N ATOM 0 H LYS A 79 3.316 0.043 8.771 1.00 0.00 H new ATOM 0 HA LYS A 79 4.475 2.066 7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.066 0.855 10.000 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.073 2.142 9.367 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.058 3.579 9.048 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.033 2.288 9.644 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.899 2.485 11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.799 4.151 11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.114 3.060 11.270 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.928 2.704 12.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.854 4.857 12.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.538 5.042 12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.749 5.387 11.507 1.00 0.00 H new ATOM 1186 N ALA A 80 6.398 -0.574 7.450 1.00 0.00 N ATOM 1187 CA ALA A 80 7.566 -1.196 6.850 1.00 0.00 C ATOM 1188 C ALA A 80 7.396 -1.228 5.329 1.00 0.00 C ATOM 1189 O ALA A 80 8.251 -0.734 4.595 1.00 0.00 O ATOM 1190 CB ALA A 80 7.764 -2.592 7.444 1.00 0.00 C ATOM 0 H ALA A 80 5.868 -1.178 8.078 1.00 0.00 H new ATOM 0 HA ALA A 80 8.464 -0.618 7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.640 -3.058 6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.909 -2.512 8.521 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.884 -3.202 7.241 1.00 0.00 H new ATOM 1196 N MET A 81 6.288 -1.814 4.902 1.00 0.00 N ATOM 1197 CA MET A 81 5.995 -1.918 3.483 1.00 0.00 C ATOM 1198 C MET A 81 6.121 -0.556 2.796 1.00 0.00 C ATOM 1199 O MET A 81 6.628 -0.464 1.679 1.00 0.00 O ATOM 1200 CB MET A 81 4.576 -2.457 3.292 1.00 0.00 C ATOM 1201 CG MET A 81 4.167 -2.415 1.818 1.00 0.00 C ATOM 1202 SD MET A 81 2.476 -2.955 1.638 1.00 0.00 S ATOM 1203 CE MET A 81 1.622 -1.482 2.175 1.00 0.00 C ATOM 0 H MET A 81 5.582 -2.222 5.514 1.00 0.00 H new ATOM 0 HA MET A 81 6.716 -2.600 3.032 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.520 -3.482 3.660 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.876 -1.867 3.884 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.277 -1.402 1.430 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.826 -3.055 1.231 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.177 -1.656 3.155 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.329 -0.655 2.239 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.838 -1.235 1.459 1.00 0.00 H new ATOM 1213 N LEU A 82 5.650 0.468 3.494 1.00 0.00 N ATOM 1214 CA LEU A 82 5.704 1.821 2.966 1.00 0.00 C ATOM 1215 C LEU A 82 7.139 2.344 3.059 1.00 0.00 C ATOM 1216 O LEU A 82 7.624 3.002 2.140 1.00 0.00 O ATOM 1217 CB LEU A 82 4.678 2.711 3.669 1.00 0.00 C ATOM 1218 CG LEU A 82 3.211 2.449 3.320 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.323 2.573 4.560 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.745 3.366 2.187 1.00 0.00 C ATOM 0 H LEU A 82 5.230 0.388 4.420 1.00 0.00 H new ATOM 0 HA LEU A 82 5.430 1.830 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.801 2.593 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.907 3.751 3.434 1.00 0.00 H new ATOM 0 HG LEU A 82 3.122 1.424 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.286 2.382 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.640 1.846 5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.410 3.579 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.699 3.159 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.851 4.406 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.353 3.186 1.300 1.00 0.00 H new ATOM 1232 N SER A 83 7.777 2.031 4.177 1.00 0.00 N ATOM 1233 CA SER A 83 9.147 2.461 4.402 1.00 0.00 C ATOM 1234 C SER A 83 10.051 1.934 3.285 1.00 0.00 C ATOM 1235 O SER A 83 11.060 2.555 2.954 1.00 0.00 O ATOM 1236 CB SER A 83 9.656 1.988 5.765 1.00 0.00 C ATOM 1237 OG SER A 83 9.478 2.977 6.774 1.00 0.00 O ATOM 0 H SER A 83 7.371 1.485 4.937 1.00 0.00 H new ATOM 0 HA SER A 83 9.169 3.551 4.395 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.129 1.078 6.053 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.713 1.734 5.689 1.00 0.00 H new ATOM 0 HG SER A 83 9.814 2.636 7.629 1.00 0.00 H new ATOM 1243 N TYR A 84 9.656 0.795 2.736 1.00 0.00 N ATOM 1244 CA TYR A 84 10.419 0.178 1.664 1.00 0.00 C ATOM 1245 C TYR A 84 10.031 0.767 0.306 1.00 0.00 C ATOM 1246 O TYR A 84 10.868 1.346 -0.385 1.00 0.00 O ATOM 1247 CB TYR A 84 10.051 -1.307 1.686 1.00 0.00 C ATOM 1248 CG TYR A 84 9.950 -1.944 0.298 1.00 0.00 C ATOM 1249 CD1 TYR A 84 11.054 -1.973 -0.530 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.756 -2.489 -0.126 1.00 0.00 C ATOM 1251 CE1 TYR A 84 10.959 -2.572 -1.836 1.00 0.00 C ATOM 1252 CE2 TYR A 84 8.661 -3.089 -1.432 1.00 0.00 C ATOM 1253 CZ TYR A 84 9.768 -3.100 -2.222 1.00 0.00 C ATOM 1254 OH TYR A 84 9.678 -3.666 -3.456 1.00 0.00 O ATOM 0 H TYR A 84 8.818 0.283 3.013 1.00 0.00 H new ATOM 0 HA TYR A 84 11.486 0.347 1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.797 -1.847 2.269 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.097 -1.427 2.200 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.989 -1.546 -0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.892 -2.466 0.522 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.815 -2.601 -2.494 1.00 0.00 H new ATOM 0 HE2 TYR A 84 7.732 -3.520 -1.776 1.00 0.00 H new ATOM 0 HH TYR A 84 9.046 -4.415 -3.427 1.00 0.00 H new ATOM 1264 N TYR A 85 8.762 0.598 -0.036 1.00 0.00 N ATOM 1265 CA TYR A 85 8.253 1.106 -1.298 1.00 0.00 C ATOM 1266 C TYR A 85 8.864 2.470 -1.627 1.00 0.00 C ATOM 1267 O TYR A 85 9.319 2.697 -2.747 1.00 0.00 O ATOM 1268 CB TYR A 85 6.744 1.269 -1.110 1.00 0.00 C ATOM 1269 CG TYR A 85 6.001 1.699 -2.377 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.899 0.831 -3.445 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.434 2.955 -2.451 1.00 0.00 C ATOM 1272 CE1 TYR A 85 5.200 1.236 -4.637 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.735 3.360 -3.643 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.653 2.481 -4.678 1.00 0.00 C ATOM 1275 OH TYR A 85 3.993 2.863 -5.804 1.00 0.00 O ATOM 0 H TYR A 85 8.071 0.116 0.539 1.00 0.00 H new ATOM 0 HA TYR A 85 8.502 0.426 -2.113 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.328 0.324 -0.760 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.563 2.006 -0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.343 -0.152 -3.387 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.515 3.634 -1.615 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.112 0.566 -5.480 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.286 4.340 -3.714 1.00 0.00 H new ATOM 0 HH TYR A 85 4.586 2.769 -6.579 1.00 0.00 H new ATOM 1285 N TYR A 86 8.854 3.343 -0.630 1.00 0.00 N ATOM 1286 CA TYR A 86 9.401 4.678 -0.798 1.00 0.00 C ATOM 1287 C TYR A 86 10.928 4.637 -0.892 1.00 0.00 C ATOM 1288 O TYR A 86 11.528 5.406 -1.642 1.00 0.00 O ATOM 1289 CB TYR A 86 9.000 5.460 0.454 1.00 0.00 C ATOM 1290 CG TYR A 86 7.488 5.590 0.648 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.652 5.633 -0.449 1.00 0.00 C ATOM 1292 CD2 TYR A 86 6.959 5.665 1.921 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.229 5.756 -0.267 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.536 5.787 2.104 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.741 5.827 1.001 1.00 0.00 C ATOM 1296 OH TYR A 86 3.397 5.943 1.173 1.00 0.00 O ATOM 0 H TYR A 86 8.475 3.151 0.297 1.00 0.00 H new ATOM 0 HA TYR A 86 9.024 5.134 -1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.427 4.970 1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.437 6.457 0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.065 5.574 -1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.613 5.632 2.780 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.564 5.791 -1.117 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.110 5.845 3.095 1.00 0.00 H new ATOM 0 HH TYR A 86 2.960 6.008 0.298 1.00 0.00 H new ATOM 1306 N SER A 87 11.512 3.733 -0.121 1.00 0.00 N ATOM 1307 CA SER A 87 12.957 3.581 -0.107 1.00 0.00 C ATOM 1308 C SER A 87 13.441 3.059 -1.461 1.00 0.00 C ATOM 1309 O SER A 87 14.566 3.341 -1.873 1.00 0.00 O ATOM 1310 CB SER A 87 13.402 2.641 1.014 1.00 0.00 C ATOM 1311 OG SER A 87 13.882 3.354 2.151 1.00 0.00 O ATOM 0 H SER A 87 11.011 3.097 0.499 1.00 0.00 H new ATOM 0 HA SER A 87 13.402 4.559 0.079 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.565 2.008 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.186 1.980 0.643 1.00 0.00 H new ATOM 0 HG SER A 87 13.185 3.380 2.839 1.00 0.00 H new ATOM 1317 N THR A 88 12.569 2.308 -2.116 1.00 0.00 N ATOM 1318 CA THR A 88 12.893 1.744 -3.415 1.00 0.00 C ATOM 1319 C THR A 88 12.346 2.632 -4.534 1.00 0.00 C ATOM 1320 O THR A 88 12.959 2.749 -5.595 1.00 0.00 O ATOM 1321 CB THR A 88 12.353 0.313 -3.457 1.00 0.00 C ATOM 1322 OG1 THR A 88 13.357 -0.417 -4.158 1.00 0.00 O ATOM 1323 CG2 THR A 88 11.112 0.181 -4.342 1.00 0.00 C ATOM 0 H THR A 88 11.637 2.077 -1.771 1.00 0.00 H new ATOM 0 HA THR A 88 13.971 1.705 -3.571 1.00 0.00 H new ATOM 0 HB THR A 88 12.114 -0.014 -2.445 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.088 -1.357 -4.229 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.770 -0.854 -4.337 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.322 0.827 -3.959 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.359 0.476 -5.362 1.00 0.00 H new ATOM 1331 N VAL A 89 11.200 3.237 -4.259 1.00 0.00 N ATOM 1332 CA VAL A 89 10.564 4.112 -5.230 1.00 0.00 C ATOM 1333 C VAL A 89 11.489 5.293 -5.528 1.00 0.00 C ATOM 1334 O VAL A 89 11.784 5.578 -6.688 1.00 0.00 O ATOM 1335 CB VAL A 89 9.187 4.544 -4.721 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.776 5.887 -5.327 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.136 3.469 -5.005 1.00 0.00 C ATOM 0 H VAL A 89 10.695 3.139 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 89 10.398 3.584 -6.169 1.00 0.00 H new ATOM 0 HB VAL A 89 9.253 4.670 -3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.794 6.171 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.505 6.649 -5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.736 5.799 -6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.167 3.801 -4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.073 3.297 -6.079 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.419 2.543 -4.505 1.00 0.00 H new ATOM 1347 N MET A 90 11.920 5.950 -4.461 1.00 0.00 N ATOM 1348 CA MET A 90 12.806 7.094 -4.594 1.00 0.00 C ATOM 1349 C MET A 90 14.014 6.754 -5.469 1.00 0.00 C ATOM 1350 O MET A 90 14.590 7.634 -6.107 1.00 0.00 O ATOM 1351 CB MET A 90 13.286 7.532 -3.209 1.00 0.00 C ATOM 1352 CG MET A 90 14.610 6.857 -2.848 1.00 0.00 C ATOM 1353 SD MET A 90 15.976 7.806 -3.497 1.00 0.00 S ATOM 1354 CE MET A 90 17.115 7.686 -2.128 1.00 0.00 C ATOM 0 H MET A 90 11.672 5.712 -3.501 1.00 0.00 H new ATOM 0 HA MET A 90 12.253 7.904 -5.070 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.409 8.615 -3.189 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.531 7.282 -2.463 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.699 6.769 -1.765 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.634 5.845 -3.253 1.00 0.00 H new ATOM 0 HE1 MET A 90 18.030 8.228 -2.367 1.00 0.00 H new ATOM 0 HE2 MET A 90 16.660 8.118 -1.237 1.00 0.00 H new ATOM 0 HE3 MET A 90 17.352 6.638 -1.943 1.00 0.00 H new ATOM 1364 N GLU A 91 14.361 5.475 -5.471 1.00 0.00 N ATOM 1365 CA GLU A 91 15.491 5.008 -6.257 1.00 0.00 C ATOM 1366 C GLU A 91 15.134 4.999 -7.745 1.00 0.00 C ATOM 1367 O GLU A 91 15.928 5.428 -8.580 1.00 0.00 O ATOM 1368 CB GLU A 91 15.945 3.623 -5.794 1.00 0.00 C ATOM 1369 CG GLU A 91 17.074 3.731 -4.766 1.00 0.00 C ATOM 1370 CD GLU A 91 18.439 3.780 -5.455 1.00 0.00 C ATOM 1371 OE1 GLU A 91 18.951 2.687 -5.779 1.00 0.00 O ATOM 1372 OE2 GLU A 91 18.941 4.910 -5.641 1.00 0.00 O ATOM 0 H GLU A 91 13.880 4.748 -4.941 1.00 0.00 H new ATOM 0 HA GLU A 91 16.323 5.696 -6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.102 3.087 -5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.284 3.042 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.935 4.627 -4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.035 2.879 -4.087 1.00 0.00 H new ATOM 1379 N GLN A 92 13.938 4.505 -8.031 1.00 0.00 N ATOM 1380 CA GLN A 92 13.467 4.434 -9.404 1.00 0.00 C ATOM 1381 C GLN A 92 13.444 5.830 -10.030 1.00 0.00 C ATOM 1382 O GLN A 92 13.656 5.979 -11.232 1.00 0.00 O ATOM 1383 CB GLN A 92 12.086 3.779 -9.476 1.00 0.00 C ATOM 1384 CG GLN A 92 12.194 2.258 -9.349 1.00 0.00 C ATOM 1385 CD GLN A 92 11.464 1.558 -10.497 1.00 0.00 C ATOM 1386 OE1 GLN A 92 12.049 0.845 -11.296 1.00 0.00 O ATOM 1387 NE2 GLN A 92 10.157 1.800 -10.534 1.00 0.00 N ATOM 0 H GLN A 92 13.281 4.150 -7.336 1.00 0.00 H new ATOM 0 HA GLN A 92 14.158 3.813 -9.973 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.452 4.170 -8.680 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.606 4.036 -10.421 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.243 1.963 -9.347 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.772 1.938 -8.396 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.731 2.407 -9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.581 1.379 -11.263 1.00 0.00 H new ATOM 1396 N GLN A 93 13.185 6.818 -9.186 1.00 0.00 N ATOM 1397 CA GLN A 93 13.132 8.197 -9.642 1.00 0.00 C ATOM 1398 C GLN A 93 14.527 8.674 -10.053 1.00 0.00 C ATOM 1399 O GLN A 93 14.683 9.337 -11.077 1.00 0.00 O ATOM 1400 CB GLN A 93 12.536 9.107 -8.566 1.00 0.00 C ATOM 1401 CG GLN A 93 11.099 8.700 -8.238 1.00 0.00 C ATOM 1402 CD GLN A 93 10.206 9.930 -8.064 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.448 10.989 -8.620 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.163 9.733 -7.263 1.00 0.00 N ATOM 0 H GLN A 93 13.010 6.691 -8.189 1.00 0.00 H new ATOM 0 HA GLN A 93 12.481 8.246 -10.515 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.146 9.058 -7.664 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.556 10.142 -8.908 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.705 8.070 -9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.085 8.104 -7.325 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.018 8.821 -6.829 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.508 10.493 -7.083 1.00 0.00 H new ATOM 1413 N VAL A 94 15.505 8.318 -9.233 1.00 0.00 N ATOM 1414 CA VAL A 94 16.881 8.702 -9.498 1.00 0.00 C ATOM 1415 C VAL A 94 17.452 7.806 -10.599 1.00 0.00 C ATOM 1416 O VAL A 94 18.377 8.200 -11.308 1.00 0.00 O ATOM 1417 CB VAL A 94 17.696 8.654 -8.205 1.00 0.00 C ATOM 1418 CG1 VAL A 94 16.897 9.225 -7.031 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.167 7.229 -7.906 1.00 0.00 C ATOM 0 H VAL A 94 15.372 7.768 -8.385 1.00 0.00 H new ATOM 0 HA VAL A 94 16.929 9.730 -9.858 1.00 0.00 H new ATOM 0 HB VAL A 94 18.580 9.277 -8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.500 9.179 -6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.634 10.262 -7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 94 15.987 8.641 -6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.744 7.223 -6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.302 6.575 -7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.791 6.873 -8.726 1.00 0.00 H new ATOM 1429 N ASN A 95 16.878 6.617 -10.707 1.00 0.00 N ATOM 1430 CA ASN A 95 17.318 5.661 -11.709 1.00 0.00 C ATOM 1431 C ASN A 95 16.957 6.185 -13.101 1.00 0.00 C ATOM 1432 O ASN A 95 17.840 6.485 -13.903 1.00 0.00 O ATOM 1433 CB ASN A 95 16.630 4.308 -11.520 1.00 0.00 C ATOM 1434 CG ASN A 95 17.043 3.663 -10.196 1.00 0.00 C ATOM 1435 OD1 ASN A 95 16.222 3.235 -9.401 1.00 0.00 O ATOM 1436 ND2 ASN A 95 18.359 3.616 -10.004 1.00 0.00 N ATOM 0 H ASN A 95 16.112 6.294 -10.117 1.00 0.00 H new ATOM 0 HA ASN A 95 18.396 5.535 -11.604 1.00 0.00 H new ATOM 0 HB2 ASN A 95 15.548 4.440 -11.542 1.00 0.00 H new ATOM 0 HB3 ASN A 95 16.888 3.646 -12.347 1.00 0.00 H new ATOM 0 HD21 ASN A 95 18.735 3.203 -9.151 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.991 3.993 -10.710 1.00 0.00 H new ATOM 1443 N GLY A 96 15.658 6.279 -13.344 1.00 0.00 N ATOM 1444 CA GLY A 96 15.170 6.762 -14.624 1.00 0.00 C ATOM 1445 C GLY A 96 13.750 6.259 -14.894 1.00 0.00 C ATOM 1446 O GLY A 96 12.820 7.054 -15.020 1.00 0.00 O ATOM 0 H GLY A 96 14.929 6.029 -12.676 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.182 7.852 -14.634 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.835 6.429 -15.420 1.00 0.00 H new ATOM 1450 N GLN A 97 13.628 4.942 -14.975 1.00 0.00 N ATOM 1451 CA GLN A 97 12.338 4.324 -15.228 1.00 0.00 C ATOM 1452 C GLN A 97 11.265 4.952 -14.335 1.00 0.00 C ATOM 1453 O GLN A 97 11.580 5.555 -13.311 1.00 0.00 O ATOM 1454 CB GLN A 97 12.405 2.810 -15.022 1.00 0.00 C ATOM 1455 CG GLN A 97 12.995 2.469 -13.652 1.00 0.00 C ATOM 1456 CD GLN A 97 13.886 1.227 -13.733 1.00 0.00 C ATOM 1457 OE1 GLN A 97 13.422 0.103 -13.826 1.00 0.00 O ATOM 1458 NE2 GLN A 97 15.189 1.493 -13.691 1.00 0.00 N ATOM 0 H GLN A 97 14.402 4.286 -14.870 1.00 0.00 H new ATOM 0 HA GLN A 97 12.069 4.504 -16.269 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.406 2.383 -15.108 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.013 2.359 -15.806 1.00 0.00 H new ATOM 0 HG2 GLN A 97 13.575 3.314 -13.281 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.190 2.298 -12.938 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.510 2.458 -13.612 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.867 0.732 -13.737 1.00 0.00 H new ATOM 1467 N LEU A 98 10.020 4.788 -14.757 1.00 0.00 N ATOM 1468 CA LEU A 98 8.899 5.330 -14.009 1.00 0.00 C ATOM 1469 C LEU A 98 8.707 4.519 -12.726 1.00 0.00 C ATOM 1470 O LEU A 98 9.203 3.399 -12.615 1.00 0.00 O ATOM 1471 CB LEU A 98 7.648 5.395 -14.888 1.00 0.00 C ATOM 1472 CG LEU A 98 7.480 6.666 -15.723 1.00 0.00 C ATOM 1473 CD1 LEU A 98 6.566 6.416 -16.924 1.00 0.00 C ATOM 1474 CD2 LEU A 98 6.986 7.828 -14.859 1.00 0.00 C ATOM 0 H LEU A 98 9.763 4.287 -15.608 1.00 0.00 H new ATOM 0 HA LEU A 98 9.103 6.358 -13.710 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.658 4.539 -15.563 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.772 5.286 -14.248 1.00 0.00 H new ATOM 0 HG LEU A 98 8.457 6.949 -16.115 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.463 7.335 -17.501 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.998 5.639 -17.554 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.585 6.096 -16.574 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.875 8.719 -15.477 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.023 7.570 -14.418 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.707 8.024 -14.066 1.00 0.00 H new ATOM 1486 N ILE A 99 7.986 5.117 -11.788 1.00 0.00 N ATOM 1487 CA ILE A 99 7.723 4.464 -10.517 1.00 0.00 C ATOM 1488 C ILE A 99 6.641 3.400 -10.709 1.00 0.00 C ATOM 1489 O ILE A 99 5.751 3.559 -11.543 1.00 0.00 O ATOM 1490 CB ILE A 99 7.384 5.499 -9.443 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.506 6.529 -9.300 1.00 0.00 C ATOM 1492 CG2 ILE A 99 7.055 4.821 -8.111 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.796 5.870 -8.810 1.00 0.00 C ATOM 0 H ILE A 99 7.576 6.046 -11.883 1.00 0.00 H new ATOM 0 HA ILE A 99 8.616 3.950 -10.161 1.00 0.00 H new ATOM 0 HB ILE A 99 6.491 6.038 -9.759 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.683 7.014 -10.260 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.203 7.308 -8.600 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.818 5.580 -7.365 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.198 4.160 -8.241 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.914 4.240 -7.777 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.577 6.624 -8.717 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.622 5.406 -7.839 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.110 5.109 -9.524 1.00 0.00 H new ATOM 1505 N GLU A 100 6.753 2.338 -9.924 1.00 0.00 N ATOM 1506 CA GLU A 100 5.795 1.248 -9.998 1.00 0.00 C ATOM 1507 C GLU A 100 4.819 1.319 -8.822 1.00 0.00 C ATOM 1508 O GLU A 100 5.164 1.823 -7.754 1.00 0.00 O ATOM 1509 CB GLU A 100 6.507 -0.105 -10.039 1.00 0.00 C ATOM 1510 CG GLU A 100 7.346 -0.245 -11.311 1.00 0.00 C ATOM 1511 CD GLU A 100 6.493 -0.747 -12.478 1.00 0.00 C ATOM 1512 OE1 GLU A 100 6.207 -1.963 -12.490 1.00 0.00 O ATOM 1513 OE2 GLU A 100 6.147 0.098 -13.332 1.00 0.00 O ATOM 0 H GLU A 100 7.493 2.209 -9.234 1.00 0.00 H new ATOM 0 HA GLU A 100 5.227 1.351 -10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.148 -0.210 -9.163 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.772 -0.908 -9.994 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.788 0.718 -11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.169 -0.937 -11.134 1.00 0.00 H new ATOM 1520 N PRO A 101 3.588 0.794 -9.064 1.00 0.00 N ATOM 1521 CA PRO A 101 2.559 0.793 -8.038 1.00 0.00 C ATOM 1522 C PRO A 101 2.844 -0.273 -6.978 1.00 0.00 C ATOM 1523 O PRO A 101 3.339 -1.353 -7.296 1.00 0.00 O ATOM 1524 CB PRO A 101 1.258 0.555 -8.786 1.00 0.00 C ATOM 1525 CG PRO A 101 1.651 -0.029 -10.133 1.00 0.00 C ATOM 1526 CD PRO A 101 3.144 0.190 -10.317 1.00 0.00 C ATOM 0 HA PRO A 101 2.517 1.730 -7.482 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.612 -0.130 -8.237 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.704 1.485 -8.911 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.413 -1.092 -10.172 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.093 0.453 -10.936 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.661 -0.750 -10.508 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.347 0.844 -11.165 1.00 0.00 H new ATOM 1534 N LEU A 102 2.517 0.067 -5.740 1.00 0.00 N ATOM 1535 CA LEU A 102 2.731 -0.847 -4.631 1.00 0.00 C ATOM 1536 C LEU A 102 1.926 -2.127 -4.869 1.00 0.00 C ATOM 1537 O LEU A 102 0.818 -2.272 -4.356 1.00 0.00 O ATOM 1538 CB LEU A 102 2.415 -0.160 -3.301 1.00 0.00 C ATOM 1539 CG LEU A 102 2.668 -0.991 -2.041 1.00 0.00 C ATOM 1540 CD1 LEU A 102 4.051 -1.643 -2.082 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.469 -0.147 -0.780 1.00 0.00 C ATOM 0 H LEU A 102 2.105 0.963 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 102 3.780 -1.136 -4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 102 3.008 0.752 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.367 0.141 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 102 1.934 -1.796 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.205 -2.227 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.119 -2.297 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.816 -0.870 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.655 -0.761 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.164 0.693 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.446 0.229 -0.751 1.00 0.00 H new ATOM 1553 N GLN A 103 2.516 -3.023 -5.647 1.00 0.00 N ATOM 1554 CA GLN A 103 1.868 -4.285 -5.959 1.00 0.00 C ATOM 1555 C GLN A 103 1.650 -5.100 -4.682 1.00 0.00 C ATOM 1556 O GLN A 103 2.610 -5.499 -4.025 1.00 0.00 O ATOM 1557 CB GLN A 103 2.679 -5.080 -6.984 1.00 0.00 C ATOM 1558 CG GLN A 103 1.923 -6.333 -7.429 1.00 0.00 C ATOM 1559 CD GLN A 103 2.713 -7.102 -8.490 1.00 0.00 C ATOM 1560 OE1 GLN A 103 3.692 -6.624 -9.039 1.00 0.00 O ATOM 1561 NE2 GLN A 103 2.234 -8.316 -8.748 1.00 0.00 N ATOM 0 H GLN A 103 3.436 -2.900 -6.070 1.00 0.00 H new ATOM 0 HA GLN A 103 0.895 -4.071 -6.401 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.892 -4.453 -7.850 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.639 -5.364 -6.552 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.741 -6.977 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.949 -6.052 -7.829 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.410 -8.655 -8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.691 -8.908 -9.442 1.00 0.00 H new ATOM 1570 N ILE A 104 0.382 -5.322 -4.368 1.00 0.00 N ATOM 1571 CA ILE A 104 0.027 -6.081 -3.182 1.00 0.00 C ATOM 1572 C ILE A 104 -0.983 -7.167 -3.560 1.00 0.00 C ATOM 1573 O ILE A 104 -1.468 -7.202 -4.690 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.462 -5.146 -2.073 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.714 -4.384 -2.512 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.655 -4.204 -1.620 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.442 -3.786 -1.306 1.00 0.00 C ATOM 0 H ILE A 104 -0.412 -4.989 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 104 0.904 -6.587 -2.777 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.741 -5.752 -1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.436 -3.589 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.383 -5.056 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.282 -3.550 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.493 -4.789 -1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.987 -3.601 -2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.328 -3.250 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.739 -4.585 -0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.778 -3.096 -0.785 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.270 -8.026 -2.593 1.00 0.00 N ATOM 1590 CA PHE A 105 -2.214 -9.109 -2.811 1.00 0.00 C ATOM 1591 C PHE A 105 -3.104 -9.316 -1.584 1.00 0.00 C ATOM 1592 O PHE A 105 -2.607 -9.438 -0.465 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.392 -10.378 -3.049 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.336 -10.238 -4.148 1.00 0.00 C ATOM 1595 CD1 PHE A 105 0.787 -9.504 -3.923 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -0.521 -10.848 -5.349 1.00 0.00 C ATOM 1597 CE1 PHE A 105 1.766 -9.374 -4.943 1.00 0.00 C ATOM 1598 CE2 PHE A 105 0.458 -10.718 -6.369 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.581 -9.984 -6.145 1.00 0.00 C ATOM 0 H PHE A 105 -0.866 -7.994 -1.657 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.858 -8.876 -3.659 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.898 -10.659 -2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.068 -11.193 -3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.934 -9.020 -2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.412 -11.431 -5.527 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.657 -8.791 -4.765 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.311 -11.202 -7.323 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.326 -9.885 -6.921 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.439 -9.349 -1.841 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.403 -9.539 -0.771 1.00 0.00 C ATOM 1611 C PRO A 106 -5.422 -10.995 -0.302 1.00 0.00 C ATOM 1612 O PRO A 106 -6.094 -11.835 -0.898 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.732 -9.086 -1.354 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.552 -9.099 -2.863 1.00 0.00 C ATOM 1615 CD PRO A 106 -5.064 -9.208 -3.154 1.00 0.00 C ATOM 0 HA PRO A 106 -5.158 -8.965 0.122 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.539 -9.753 -1.051 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -6.994 -8.089 -1.001 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.090 -9.938 -3.304 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -6.962 -8.190 -3.304 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.847 -10.066 -3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.696 -8.324 -3.675 1.00 0.00 H new ATOM 1623 N ARG A 107 -4.676 -11.250 0.763 1.00 0.00 N ATOM 1624 CA ARG A 107 -4.599 -12.590 1.320 1.00 0.00 C ATOM 1625 C ARG A 107 -5.988 -13.228 1.361 1.00 0.00 C ATOM 1626 O ARG A 107 -6.201 -14.299 0.793 1.00 0.00 O ATOM 1627 CB ARG A 107 -4.014 -12.566 2.733 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.690 -13.332 2.792 1.00 0.00 C ATOM 1629 CD ARG A 107 -2.382 -13.785 4.220 1.00 0.00 C ATOM 1630 NE ARG A 107 -3.338 -14.835 4.636 1.00 0.00 N ATOM 1631 CZ ARG A 107 -3.248 -16.121 4.271 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -2.244 -16.524 3.481 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -4.162 -17.004 4.696 1.00 0.00 N ATOM 0 H ARG A 107 -4.119 -10.551 1.255 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.944 -13.179 0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.856 -11.534 3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.725 -13.007 3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.738 -14.200 2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.882 -12.698 2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.363 -14.167 4.277 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.443 -12.936 4.901 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.115 -14.563 5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -1.548 -15.852 3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.175 -17.503 3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -4.926 -16.697 5.298 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.093 -17.983 4.418 1.00 0.00 H new