USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 519 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 49 THR OG1 : rot 97:sc= 1.3 USER MOD Set 1.2: A 51 HIS : no HE2:sc= -3.87! K(o=-2.6!,f=-4.9) USER MOD Set 2.1: A 42 SER OG : rot 38:sc= 1.08 USER MOD Set 2.2: A 44 THR OG1 : rot 101:sc= 0.0123 USER MOD Set 3.1: A 19 ASN : amide:sc=-0.00856 X(o=-0.038,f=-0.53) USER MOD Set 3.2: A 22 GLN : amide:sc= -0.0298 K(o=-0.038,f=-0.56) USER MOD Single : A 11 GLN :FLIP amide:sc= -1.93! C(o=-3.2!,f=-1.9!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.974 F(o=-2.4,f=-0.97) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.32) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.14! C(o=-3.1!,f=-4.1!) USER MOD Single : A 60 GLN : amide:sc= -0.805 K(o=-0.81,f=-2.8!) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= -1.51 (180deg=-1.6) USER MOD Single : A 68 SER OG : rot -79:sc= 1.02 USER MOD Single : A 69 GLN :FLIP amide:sc= -0.551 F(o=-1.4,f=-0.55) USER MOD Single : A 73 TYR OH : rot -92:sc= 0.346 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ASP A 10 6.669 -5.882 5.713 1.00 0.00 N ATOM 145 CA ASP A 10 5.603 -5.220 4.981 1.00 0.00 C ATOM 146 C ASP A 10 5.361 -3.834 5.582 1.00 0.00 C ATOM 147 O ASP A 10 6.076 -3.414 6.491 1.00 0.00 O ATOM 148 CB ASP A 10 4.297 -6.012 5.072 1.00 0.00 C ATOM 149 CG ASP A 10 4.121 -6.821 6.359 1.00 0.00 C ATOM 150 OD1 ASP A 10 4.165 -6.189 7.438 1.00 0.00 O ATOM 151 OD2 ASP A 10 3.946 -8.052 6.235 1.00 0.00 O ATOM 0 HA ASP A 10 5.907 -5.146 3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.461 -5.318 4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.242 -6.692 4.222 1.00 0.00 H new ATOM 156 N GLN A 11 4.349 -3.163 5.052 1.00 0.00 N ATOM 157 CA GLN A 11 4.003 -1.834 5.526 1.00 0.00 C ATOM 158 C GLN A 11 2.683 -1.375 4.902 1.00 0.00 C ATOM 159 O GLN A 11 2.514 -1.435 3.684 1.00 0.00 O ATOM 160 CB GLN A 11 5.125 -0.837 5.230 1.00 0.00 C ATOM 161 CG GLN A 11 5.043 0.373 6.162 1.00 0.00 C ATOM 162 CD GLN A 11 5.887 1.534 5.629 1.00 0.00 C ATOM 163 OE1 GLN A 11 5.188 2.449 4.965 1.00 0.00 O flip ATOM 164 NE2 GLN A 11 7.091 1.593 5.810 1.00 0.00 N flip ATOM 0 H GLN A 11 3.758 -3.515 4.299 1.00 0.00 H new ATOM 0 HA GLN A 11 3.876 -1.877 6.608 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.092 -1.326 5.348 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.059 -0.507 4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.005 0.690 6.262 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.389 0.094 7.157 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.565 0.855 6.330 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.624 2.381 5.442 1.00 0.00 H new ATOM 173 N VAL A 12 1.782 -0.928 5.764 1.00 0.00 N ATOM 174 CA VAL A 12 0.483 -0.459 5.313 1.00 0.00 C ATOM 175 C VAL A 12 0.578 1.024 4.950 1.00 0.00 C ATOM 176 O VAL A 12 1.575 1.678 5.252 1.00 0.00 O ATOM 177 CB VAL A 12 -0.577 -0.747 6.379 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.944 -0.996 5.739 1.00 0.00 C ATOM 179 CG2 VAL A 12 -0.160 -1.925 7.261 1.00 0.00 C ATOM 0 H VAL A 12 1.926 -0.881 6.773 1.00 0.00 H new ATOM 0 HA VAL A 12 0.175 -0.994 4.415 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.662 0.134 7.015 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.679 -1.198 6.518 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.247 -0.115 5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.881 -1.853 5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.930 -2.109 8.010 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.034 -2.815 6.644 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.782 -1.692 7.758 1.00 0.00 H new ATOM 189 N LEU A 13 -0.472 1.512 4.306 1.00 0.00 N ATOM 190 CA LEU A 13 -0.519 2.905 3.898 1.00 0.00 C ATOM 191 C LEU A 13 -1.978 3.342 3.755 1.00 0.00 C ATOM 192 O LEU A 13 -2.830 2.550 3.355 1.00 0.00 O ATOM 193 CB LEU A 13 0.315 3.123 2.633 1.00 0.00 C ATOM 194 CG LEU A 13 -0.397 2.849 1.307 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.719 4.155 0.577 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.419 1.892 0.436 1.00 0.00 C ATOM 0 H LEU A 13 -1.297 0.967 4.057 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.069 3.540 4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.668 4.154 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.197 2.485 2.688 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.346 2.359 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.225 3.932 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.367 4.770 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.206 4.695 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.109 1.713 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.393 2.333 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.554 0.947 0.962 1.00 0.00 H new ATOM 208 N GLU A 14 -2.222 4.600 4.091 1.00 0.00 N ATOM 209 CA GLU A 14 -3.564 5.151 4.005 1.00 0.00 C ATOM 210 C GLU A 14 -3.730 5.946 2.708 1.00 0.00 C ATOM 211 O GLU A 14 -2.997 6.904 2.464 1.00 0.00 O ATOM 212 CB GLU A 14 -3.880 6.021 5.224 1.00 0.00 C ATOM 213 CG GLU A 14 -3.124 5.526 6.459 1.00 0.00 C ATOM 214 CD GLU A 14 -3.590 6.261 7.717 1.00 0.00 C ATOM 215 OE1 GLU A 14 -4.822 6.305 7.925 1.00 0.00 O ATOM 216 OE2 GLU A 14 -2.704 6.762 8.444 1.00 0.00 O ATOM 0 H GLU A 14 -1.513 5.254 4.423 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.274 4.324 3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.608 7.056 5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.952 6.006 5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.281 4.454 6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.054 5.678 6.320 1.00 0.00 H new ATOM 223 N ILE A 15 -4.696 5.518 1.909 1.00 0.00 N ATOM 224 CA ILE A 15 -4.966 6.177 0.642 1.00 0.00 C ATOM 225 C ILE A 15 -6.319 6.890 0.721 1.00 0.00 C ATOM 226 O ILE A 15 -7.260 6.377 1.327 1.00 0.00 O ATOM 227 CB ILE A 15 -4.864 5.181 -0.514 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.560 4.386 -0.438 1.00 0.00 C ATOM 229 CG2 ILE A 15 -5.029 5.885 -1.862 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.661 3.087 -1.242 1.00 0.00 C ATOM 0 H ILE A 15 -5.301 4.723 2.114 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.213 6.939 0.442 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.683 4.467 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.738 4.991 -0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.330 4.157 0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.952 5.153 -2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.005 6.368 -1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.247 6.636 -1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.720 2.541 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.468 2.473 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.867 3.321 -2.287 1.00 0.00 H new ATOM 242 N VAL A 16 -6.373 8.060 0.103 1.00 0.00 N ATOM 243 CA VAL A 16 -7.593 8.848 0.097 1.00 0.00 C ATOM 244 C VAL A 16 -7.903 9.288 -1.336 1.00 0.00 C ATOM 245 O VAL A 16 -7.463 10.351 -1.771 1.00 0.00 O ATOM 246 CB VAL A 16 -7.463 10.022 1.068 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.779 10.796 1.171 1.00 0.00 C ATOM 248 CG2 VAL A 16 -6.999 9.545 2.446 1.00 0.00 C ATOM 0 H VAL A 16 -5.591 8.482 -0.398 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.436 8.250 0.443 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.705 10.700 0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.660 11.626 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.051 11.183 0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.565 10.131 1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.915 10.399 3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.723 8.837 2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.028 9.058 2.355 1.00 0.00 H new ATOM 258 N PRO A 17 -8.678 8.427 -2.047 1.00 0.00 N ATOM 259 CA PRO A 17 -9.053 8.715 -3.421 1.00 0.00 C ATOM 260 C PRO A 17 -10.136 9.794 -3.478 1.00 0.00 C ATOM 261 O PRO A 17 -10.528 10.342 -2.449 1.00 0.00 O ATOM 262 CB PRO A 17 -9.508 7.383 -3.994 1.00 0.00 C ATOM 263 CG PRO A 17 -9.814 6.498 -2.797 1.00 0.00 C ATOM 264 CD PRO A 17 -9.218 7.158 -1.564 1.00 0.00 C ATOM 0 HA PRO A 17 -8.228 9.122 -4.006 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.390 7.509 -4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.732 6.941 -4.619 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.890 6.373 -2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.391 5.504 -2.940 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.974 7.316 -0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.438 6.539 -1.121 1.00 0.00 H new ATOM 272 N SER A 18 -10.592 10.066 -4.693 1.00 0.00 N ATOM 273 CA SER A 18 -11.623 11.069 -4.898 1.00 0.00 C ATOM 274 C SER A 18 -12.270 10.881 -6.272 1.00 0.00 C ATOM 275 O SER A 18 -13.490 10.964 -6.404 1.00 0.00 O ATOM 276 CB SER A 18 -11.051 12.482 -4.769 1.00 0.00 C ATOM 277 OG SER A 18 -12.076 13.471 -4.729 1.00 0.00 O ATOM 0 H SER A 18 -10.266 9.609 -5.545 1.00 0.00 H new ATOM 0 HA SER A 18 -12.382 10.942 -4.126 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.448 12.548 -3.863 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.386 12.682 -5.609 1.00 0.00 H new ATOM 0 HG SER A 18 -11.670 14.359 -4.645 1.00 0.00 H new ATOM 283 N ASN A 19 -11.423 10.630 -7.259 1.00 0.00 N ATOM 284 CA ASN A 19 -11.896 10.430 -8.619 1.00 0.00 C ATOM 285 C ASN A 19 -11.753 8.952 -8.991 1.00 0.00 C ATOM 286 O ASN A 19 -10.831 8.280 -8.534 1.00 0.00 O ATOM 287 CB ASN A 19 -11.075 11.250 -9.615 1.00 0.00 C ATOM 288 CG ASN A 19 -11.009 12.719 -9.193 1.00 0.00 C ATOM 289 OD1 ASN A 19 -11.901 13.248 -8.552 1.00 0.00 O ATOM 290 ND2 ASN A 19 -9.904 13.346 -9.587 1.00 0.00 N ATOM 0 H ASN A 19 -10.412 10.560 -7.145 1.00 0.00 H new ATOM 0 HA ASN A 19 -12.938 10.748 -8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.067 10.842 -9.683 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.518 11.173 -10.608 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.765 14.329 -9.354 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.196 12.843 -10.122 1.00 0.00 H new ATOM 297 N GLU A 20 -12.679 8.491 -9.818 1.00 0.00 N ATOM 298 CA GLU A 20 -12.668 7.106 -10.258 1.00 0.00 C ATOM 299 C GLU A 20 -11.269 6.712 -10.736 1.00 0.00 C ATOM 300 O GLU A 20 -10.752 5.662 -10.355 1.00 0.00 O ATOM 301 CB GLU A 20 -13.708 6.871 -11.356 1.00 0.00 C ATOM 302 CG GLU A 20 -15.081 6.565 -10.754 1.00 0.00 C ATOM 303 CD GLU A 20 -15.897 7.847 -10.570 1.00 0.00 C ATOM 304 OE1 GLU A 20 -16.583 8.227 -11.542 1.00 0.00 O ATOM 305 OE2 GLU A 20 -15.814 8.418 -9.460 1.00 0.00 O ATOM 0 H GLU A 20 -13.443 9.052 -10.195 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.933 6.474 -9.410 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.775 7.753 -11.993 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.392 6.043 -11.990 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.621 5.876 -11.403 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.958 6.067 -9.792 1.00 0.00 H new ATOM 312 N GLU A 21 -10.694 7.576 -11.560 1.00 0.00 N ATOM 313 CA GLU A 21 -9.365 7.330 -12.092 1.00 0.00 C ATOM 314 C GLU A 21 -8.455 6.754 -11.005 1.00 0.00 C ATOM 315 O GLU A 21 -7.793 5.741 -11.219 1.00 0.00 O ATOM 316 CB GLU A 21 -8.768 8.608 -12.687 1.00 0.00 C ATOM 317 CG GLU A 21 -7.246 8.505 -12.793 1.00 0.00 C ATOM 318 CD GLU A 21 -6.702 9.476 -13.842 1.00 0.00 C ATOM 319 OE1 GLU A 21 -6.762 10.695 -13.572 1.00 0.00 O ATOM 320 OE2 GLU A 21 -6.237 8.979 -14.890 1.00 0.00 O ATOM 0 H GLU A 21 -11.124 8.447 -11.872 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.446 6.597 -12.895 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.193 8.787 -13.674 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.036 9.462 -12.065 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.795 8.721 -11.824 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.964 7.485 -13.056 1.00 0.00 H new ATOM 327 N GLN A 22 -8.453 7.427 -9.863 1.00 0.00 N ATOM 328 CA GLN A 22 -7.636 6.994 -8.743 1.00 0.00 C ATOM 329 C GLN A 22 -7.990 5.559 -8.350 1.00 0.00 C ATOM 330 O GLN A 22 -7.107 4.759 -8.044 1.00 0.00 O ATOM 331 CB GLN A 22 -7.791 7.943 -7.553 1.00 0.00 C ATOM 332 CG GLN A 22 -6.824 9.123 -7.662 1.00 0.00 C ATOM 333 CD GLN A 22 -7.474 10.301 -8.391 1.00 0.00 C ATOM 334 OE1 GLN A 22 -7.472 10.388 -9.609 1.00 0.00 O ATOM 335 NE2 GLN A 22 -8.031 11.198 -7.583 1.00 0.00 N ATOM 0 H GLN A 22 -9.004 8.268 -9.690 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.591 7.017 -9.051 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.816 8.311 -7.508 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.606 7.402 -6.625 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.512 9.435 -6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.925 8.813 -8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.997 11.065 -6.572 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.492 12.020 -7.974 1.00 0.00 H new ATOM 344 N ILE A 23 -9.285 5.277 -8.370 1.00 0.00 N ATOM 345 CA ILE A 23 -9.767 3.952 -8.019 1.00 0.00 C ATOM 346 C ILE A 23 -9.404 2.970 -9.135 1.00 0.00 C ATOM 347 O ILE A 23 -8.916 1.873 -8.867 1.00 0.00 O ATOM 348 CB ILE A 23 -11.262 3.993 -7.699 1.00 0.00 C ATOM 349 CG1 ILE A 23 -11.515 4.663 -6.346 1.00 0.00 C ATOM 350 CG2 ILE A 23 -11.876 2.594 -7.769 1.00 0.00 C ATOM 351 CD1 ILE A 23 -11.275 6.172 -6.429 1.00 0.00 C ATOM 0 H ILE A 23 -10.015 5.943 -8.624 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.280 3.598 -7.111 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.757 4.600 -8.457 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -12.539 4.471 -6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.859 4.228 -5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.940 2.651 -7.537 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.745 2.189 -8.772 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.382 1.943 -7.047 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.462 6.624 -5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.243 6.361 -6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.949 6.608 -7.166 1.00 0.00 H new ATOM 363 N LYS A 24 -9.656 3.399 -10.363 1.00 0.00 N ATOM 364 CA LYS A 24 -9.363 2.572 -11.520 1.00 0.00 C ATOM 365 C LYS A 24 -7.861 2.283 -11.567 1.00 0.00 C ATOM 366 O LYS A 24 -7.426 1.349 -12.240 1.00 0.00 O ATOM 367 CB LYS A 24 -9.905 3.222 -12.795 1.00 0.00 C ATOM 368 CG LYS A 24 -9.104 2.775 -14.020 1.00 0.00 C ATOM 369 CD LYS A 24 -9.826 3.157 -15.315 1.00 0.00 C ATOM 370 CE LYS A 24 -10.835 2.079 -15.718 1.00 0.00 C ATOM 371 NZ LYS A 24 -11.900 2.659 -16.565 1.00 0.00 N ATOM 0 H LYS A 24 -10.060 4.310 -10.581 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.871 1.611 -11.440 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.954 2.957 -12.925 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.860 4.307 -12.702 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.116 3.235 -14.001 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.954 1.696 -13.987 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.339 4.109 -15.182 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.098 3.296 -16.114 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.327 1.280 -16.258 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.274 1.632 -14.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.577 1.915 -16.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.396 3.406 -16.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.478 3.065 -17.424 1.00 0.00 H new ATOM 385 N ASN A 25 -7.110 3.101 -10.844 1.00 0.00 N ATOM 386 CA ASN A 25 -5.667 2.945 -10.795 1.00 0.00 C ATOM 387 C ASN A 25 -5.311 1.841 -9.798 1.00 0.00 C ATOM 388 O ASN A 25 -4.401 1.049 -10.040 1.00 0.00 O ATOM 389 CB ASN A 25 -4.989 4.236 -10.332 1.00 0.00 C ATOM 390 CG ASN A 25 -4.626 5.123 -11.526 1.00 0.00 C ATOM 391 OD1 ASN A 25 -5.326 6.251 -11.594 1.00 0.00 O flip ATOM 392 ND2 ASN A 25 -3.766 4.803 -12.330 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.474 3.874 -10.287 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.321 2.695 -11.798 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.653 4.779 -9.660 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.089 3.996 -9.766 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.266 3.921 -12.218 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.547 5.417 -13.114 1.00 0.00 H new ATOM 399 N LEU A 26 -6.047 1.823 -8.696 1.00 0.00 N ATOM 400 CA LEU A 26 -5.821 0.828 -7.662 1.00 0.00 C ATOM 401 C LEU A 26 -6.276 -0.542 -8.168 1.00 0.00 C ATOM 402 O LEU A 26 -5.587 -1.542 -7.969 1.00 0.00 O ATOM 403 CB LEU A 26 -6.492 1.254 -6.353 1.00 0.00 C ATOM 404 CG LEU A 26 -5.631 2.079 -5.395 1.00 0.00 C ATOM 405 CD1 LEU A 26 -6.340 2.279 -4.055 1.00 0.00 C ATOM 406 CD2 LEU A 26 -4.246 1.450 -5.223 1.00 0.00 C ATOM 0 H LEU A 26 -6.800 2.482 -8.497 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.757 0.747 -7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.384 1.831 -6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.825 0.357 -5.830 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.484 3.067 -5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.706 2.869 -3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.282 2.802 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.537 1.309 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.654 2.056 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.351 0.443 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.745 1.403 -6.190 1.00 0.00 H new ATOM 418 N LEU A 27 -7.433 -0.545 -8.813 1.00 0.00 N ATOM 419 CA LEU A 27 -7.988 -1.776 -9.350 1.00 0.00 C ATOM 420 C LEU A 27 -6.988 -2.396 -10.329 1.00 0.00 C ATOM 421 O LEU A 27 -6.635 -3.567 -10.200 1.00 0.00 O ATOM 422 CB LEU A 27 -9.368 -1.521 -9.960 1.00 0.00 C ATOM 423 CG LEU A 27 -10.555 -1.627 -9.001 1.00 0.00 C ATOM 424 CD1 LEU A 27 -11.852 -1.190 -9.684 1.00 0.00 C ATOM 425 CD2 LEU A 27 -10.662 -3.035 -8.414 1.00 0.00 C ATOM 0 H LEU A 27 -8.002 0.286 -8.976 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.147 -2.502 -8.553 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.370 -0.524 -10.400 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.520 -2.229 -10.774 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.384 -0.944 -8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.680 -1.275 -8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.759 -0.155 -10.012 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.042 -1.829 -10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.514 -3.083 -7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.799 -3.756 -9.220 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.749 -3.272 -7.867 1.00 0.00 H new ATOM 437 N GLN A 28 -6.561 -1.583 -11.284 1.00 0.00 N ATOM 438 CA GLN A 28 -5.610 -2.038 -12.283 1.00 0.00 C ATOM 439 C GLN A 28 -4.345 -2.574 -11.607 1.00 0.00 C ATOM 440 O GLN A 28 -3.738 -3.529 -12.088 1.00 0.00 O ATOM 441 CB GLN A 28 -5.271 -0.917 -13.267 1.00 0.00 C ATOM 442 CG GLN A 28 -4.977 -1.481 -14.660 1.00 0.00 C ATOM 443 CD GLN A 28 -3.557 -1.126 -15.106 1.00 0.00 C ATOM 444 OE1 GLN A 28 -2.579 -1.713 -14.676 1.00 0.00 O ATOM 445 NE2 GLN A 28 -3.500 -0.133 -15.989 1.00 0.00 N ATOM 0 H GLN A 28 -6.856 -0.612 -11.387 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.068 -2.849 -12.849 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.102 -0.214 -13.323 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.406 -0.360 -12.906 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.099 -2.564 -14.651 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.697 -1.085 -15.376 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.359 0.316 -16.308 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.598 0.180 -16.347 1.00 0.00 H new ATOM 454 N LEU A 29 -3.988 -1.936 -10.502 1.00 0.00 N ATOM 455 CA LEU A 29 -2.808 -2.338 -9.755 1.00 0.00 C ATOM 456 C LEU A 29 -3.034 -3.730 -9.162 1.00 0.00 C ATOM 457 O LEU A 29 -2.330 -4.678 -9.506 1.00 0.00 O ATOM 458 CB LEU A 29 -2.446 -1.276 -8.715 1.00 0.00 C ATOM 459 CG LEU A 29 -1.510 -1.729 -7.592 1.00 0.00 C ATOM 460 CD1 LEU A 29 -0.116 -2.047 -8.135 1.00 0.00 C ATOM 461 CD2 LEU A 29 -1.465 -0.695 -6.466 1.00 0.00 C ATOM 0 H LEU A 29 -4.495 -1.144 -10.106 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.944 -2.411 -10.416 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.983 -0.434 -9.230 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.368 -0.906 -8.266 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.907 -2.651 -7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.529 -2.366 -7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.187 -2.845 -8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.304 -1.156 -8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.793 -1.041 -5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.105 0.256 -6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.465 -0.561 -6.054 1.00 0.00 H new ATOM 473 N GLU A 30 -4.019 -3.809 -8.279 1.00 0.00 N ATOM 474 CA GLU A 30 -4.348 -5.069 -7.634 1.00 0.00 C ATOM 475 C GLU A 30 -4.505 -6.174 -8.679 1.00 0.00 C ATOM 476 O GLU A 30 -4.281 -7.348 -8.386 1.00 0.00 O ATOM 477 CB GLU A 30 -5.610 -4.936 -6.781 1.00 0.00 C ATOM 478 CG GLU A 30 -5.571 -5.893 -5.589 1.00 0.00 C ATOM 479 CD GLU A 30 -6.950 -6.504 -5.330 1.00 0.00 C ATOM 480 OE1 GLU A 30 -7.878 -5.713 -5.058 1.00 0.00 O ATOM 481 OE2 GLU A 30 -7.044 -7.748 -5.409 1.00 0.00 O ATOM 0 H GLU A 30 -4.600 -3.020 -7.995 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.528 -5.339 -6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.706 -3.910 -6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.489 -5.145 -7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.848 -6.686 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.233 -5.359 -4.701 1.00 0.00 H new ATOM 488 N ALA A 31 -4.890 -5.762 -9.878 1.00 0.00 N ATOM 489 CA ALA A 31 -5.082 -6.703 -10.968 1.00 0.00 C ATOM 490 C ALA A 31 -3.748 -7.377 -11.292 1.00 0.00 C ATOM 491 O ALA A 31 -3.687 -8.596 -11.456 1.00 0.00 O ATOM 492 CB ALA A 31 -5.675 -5.973 -12.175 1.00 0.00 C ATOM 0 H ALA A 31 -5.074 -4.788 -10.119 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.786 -7.484 -10.682 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.819 -6.679 -12.993 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.635 -5.536 -11.900 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.994 -5.183 -12.493 1.00 0.00 H new ATOM 498 N GLN A 32 -2.711 -6.557 -11.376 1.00 0.00 N ATOM 499 CA GLN A 32 -1.381 -7.059 -11.678 1.00 0.00 C ATOM 500 C GLN A 32 -1.042 -8.243 -10.771 1.00 0.00 C ATOM 501 O GLN A 32 -0.721 -8.059 -9.598 1.00 0.00 O ATOM 502 CB GLN A 32 -0.334 -5.952 -11.549 1.00 0.00 C ATOM 503 CG GLN A 32 -0.143 -5.219 -12.878 1.00 0.00 C ATOM 504 CD GLN A 32 0.535 -6.124 -13.910 1.00 0.00 C ATOM 505 OE1 GLN A 32 1.681 -6.516 -13.773 1.00 0.00 O ATOM 506 NE2 GLN A 32 -0.238 -6.432 -14.948 1.00 0.00 N ATOM 0 H GLN A 32 -2.765 -5.548 -11.240 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.371 -7.404 -12.712 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.642 -5.243 -10.780 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.615 -6.380 -11.226 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.110 -4.889 -13.258 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.460 -4.325 -12.721 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.190 -6.069 -15.000 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.121 -7.031 -15.691 1.00 0.00 H new ATOM 584 N LEU A 37 -1.985 -7.073 -4.708 1.00 0.00 N ATOM 585 CA LEU A 37 -2.211 -6.392 -3.445 1.00 0.00 C ATOM 586 C LEU A 37 -3.612 -6.732 -2.931 1.00 0.00 C ATOM 587 O LEU A 37 -4.444 -7.245 -3.678 1.00 0.00 O ATOM 588 CB LEU A 37 -1.958 -4.890 -3.592 1.00 0.00 C ATOM 589 CG LEU A 37 -0.672 -4.495 -4.320 1.00 0.00 C ATOM 590 CD1 LEU A 37 -0.847 -3.167 -5.060 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.516 -4.461 -3.357 1.00 0.00 C ATOM 0 HA LEU A 37 -1.502 -6.739 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.802 -4.450 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.940 -4.446 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.457 -5.257 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.082 -2.909 -5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.648 -3.262 -5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.099 -2.383 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.417 -4.177 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.324 -3.734 -2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.654 -5.448 -2.915 1.00 0.00 H new ATOM 603 N ASP A 38 -3.828 -6.434 -1.658 1.00 0.00 N ATOM 604 CA ASP A 38 -5.113 -6.702 -1.036 1.00 0.00 C ATOM 605 C ASP A 38 -5.528 -5.494 -0.193 1.00 0.00 C ATOM 606 O ASP A 38 -4.901 -5.197 0.823 1.00 0.00 O ATOM 607 CB ASP A 38 -5.034 -7.919 -0.112 1.00 0.00 C ATOM 608 CG ASP A 38 -6.334 -8.716 0.020 1.00 0.00 C ATOM 609 OD1 ASP A 38 -6.945 -8.985 -1.036 1.00 0.00 O ATOM 610 OD2 ASP A 38 -6.687 -9.037 1.176 1.00 0.00 O ATOM 0 H ASP A 38 -3.135 -6.010 -1.041 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.837 -6.896 -1.827 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.253 -8.585 -0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.728 -7.585 0.879 1.00 0.00 H new ATOM 615 N PHE A 39 -6.583 -4.832 -0.644 1.00 0.00 N ATOM 616 CA PHE A 39 -7.088 -3.663 0.055 1.00 0.00 C ATOM 617 C PHE A 39 -8.110 -4.063 1.123 1.00 0.00 C ATOM 618 O PHE A 39 -9.133 -4.669 0.811 1.00 0.00 O ATOM 619 CB PHE A 39 -7.778 -2.781 -0.988 1.00 0.00 C ATOM 620 CG PHE A 39 -6.991 -2.627 -2.291 1.00 0.00 C ATOM 621 CD1 PHE A 39 -5.704 -2.190 -2.260 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.579 -2.928 -3.480 1.00 0.00 C ATOM 623 CE1 PHE A 39 -4.973 -2.047 -3.470 1.00 0.00 C ATOM 624 CE2 PHE A 39 -6.849 -2.785 -4.689 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.562 -2.348 -4.658 1.00 0.00 C ATOM 0 H PHE A 39 -7.102 -5.083 -1.485 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.268 -3.142 0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.757 -3.202 -1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.947 -1.793 -0.559 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.237 -1.952 -1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.601 -3.276 -3.504 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.951 -1.700 -3.446 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.316 -3.023 -5.633 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.007 -2.240 -5.578 1.00 0.00 H new ATOM 635 N TRP A 40 -7.795 -3.707 2.360 1.00 0.00 N ATOM 636 CA TRP A 40 -8.671 -4.021 3.474 1.00 0.00 C ATOM 637 C TRP A 40 -10.052 -3.435 3.170 1.00 0.00 C ATOM 638 O TRP A 40 -11.064 -4.122 3.301 1.00 0.00 O ATOM 639 CB TRP A 40 -8.085 -3.513 4.793 1.00 0.00 C ATOM 640 CG TRP A 40 -6.807 -4.236 5.225 1.00 0.00 C ATOM 641 CD1 TRP A 40 -6.303 -5.380 4.743 1.00 0.00 C ATOM 642 CD2 TRP A 40 -5.885 -3.814 6.252 1.00 0.00 C ATOM 643 NE1 TRP A 40 -5.130 -5.725 5.382 1.00 0.00 N ATOM 644 CE2 TRP A 40 -4.867 -4.742 6.329 1.00 0.00 C ATOM 645 CE3 TRP A 40 -5.911 -2.684 7.089 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -3.800 -4.637 7.227 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -4.837 -2.594 7.982 1.00 0.00 C ATOM 648 CH2 TRP A 40 -3.805 -3.519 8.072 1.00 0.00 C ATOM 0 H TRP A 40 -6.945 -3.204 2.614 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.769 -5.100 3.595 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.874 -2.448 4.699 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.834 -3.621 5.577 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.758 -5.959 3.953 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.560 -6.550 5.194 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.697 -1.945 7.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.015 -5.377 7.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -4.809 -1.745 8.649 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.010 -3.377 8.790 1.00 0.00 H new ATOM 659 N LYS A 41 -10.049 -2.173 2.770 1.00 0.00 N ATOM 660 CA LYS A 41 -11.288 -1.486 2.446 1.00 0.00 C ATOM 661 C LYS A 41 -11.405 -1.345 0.927 1.00 0.00 C ATOM 662 O LYS A 41 -10.797 -0.456 0.334 1.00 0.00 O ATOM 663 CB LYS A 41 -11.377 -0.156 3.196 1.00 0.00 C ATOM 664 CG LYS A 41 -11.701 -0.380 4.674 1.00 0.00 C ATOM 665 CD LYS A 41 -12.083 0.934 5.358 1.00 0.00 C ATOM 666 CE LYS A 41 -13.499 1.363 4.969 1.00 0.00 C ATOM 667 NZ LYS A 41 -14.144 2.093 6.083 1.00 0.00 N ATOM 0 H LYS A 41 -9.207 -1.607 2.663 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.146 -2.070 2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.433 0.381 3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.145 0.470 2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.520 -1.093 4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.839 -0.818 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.019 0.817 6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.374 1.713 5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.463 1.997 4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.092 0.486 4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.104 2.377 5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.196 1.476 6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.586 2.940 6.312 1.00 0.00 H new ATOM 681 N SER A 42 -12.191 -2.236 0.341 1.00 0.00 N ATOM 682 CA SER A 42 -12.397 -2.222 -1.097 1.00 0.00 C ATOM 683 C SER A 42 -12.470 -0.779 -1.602 1.00 0.00 C ATOM 684 O SER A 42 -13.516 -0.138 -1.509 1.00 0.00 O ATOM 685 CB SER A 42 -13.667 -2.983 -1.481 1.00 0.00 C ATOM 686 OG SER A 42 -14.840 -2.359 -0.966 1.00 0.00 O ATOM 0 H SER A 42 -12.693 -2.973 0.836 1.00 0.00 H new ATOM 0 HA SER A 42 -11.551 -2.723 -1.567 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.737 -3.046 -2.567 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.605 -4.004 -1.105 1.00 0.00 H new ATOM 0 HG SER A 42 -14.740 -1.385 -1.012 1.00 0.00 H new ATOM 692 N PRO A 43 -11.317 -0.297 -2.138 1.00 0.00 N ATOM 693 CA PRO A 43 -11.242 1.058 -2.656 1.00 0.00 C ATOM 694 C PRO A 43 -11.955 1.170 -4.005 1.00 0.00 C ATOM 695 O PRO A 43 -11.371 1.629 -4.984 1.00 0.00 O ATOM 696 CB PRO A 43 -9.755 1.362 -2.744 1.00 0.00 C ATOM 697 CG PRO A 43 -9.050 0.016 -2.715 1.00 0.00 C ATOM 698 CD PRO A 43 -10.059 -1.028 -2.264 1.00 0.00 C ATOM 0 HA PRO A 43 -11.747 1.782 -2.016 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.521 1.905 -3.660 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.435 1.988 -1.911 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.659 -0.232 -3.702 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.200 0.045 -2.034 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.142 -1.838 -2.989 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.766 -1.478 -1.316 1.00 0.00 H new ATOM 706 N THR A 44 -13.209 0.742 -4.011 1.00 0.00 N ATOM 707 CA THR A 44 -14.010 0.789 -5.223 1.00 0.00 C ATOM 708 C THR A 44 -14.462 2.222 -5.509 1.00 0.00 C ATOM 709 O THR A 44 -14.638 2.603 -6.666 1.00 0.00 O ATOM 710 CB THR A 44 -15.172 -0.194 -5.061 1.00 0.00 C ATOM 711 OG1 THR A 44 -14.616 -1.267 -4.306 1.00 0.00 O ATOM 712 CG2 THR A 44 -15.580 -0.842 -6.385 1.00 0.00 C ATOM 0 H THR A 44 -13.690 0.361 -3.196 1.00 0.00 H new ATOM 0 HA THR A 44 -13.428 0.486 -6.093 1.00 0.00 H new ATOM 0 HB THR A 44 -16.029 0.325 -4.632 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.886 -1.181 -3.368 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.408 -1.530 -6.213 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.890 -0.069 -7.088 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.733 -1.389 -6.798 1.00 0.00 H new ATOM 720 N THR A 45 -14.638 2.979 -4.435 1.00 0.00 N ATOM 721 CA THR A 45 -15.065 4.362 -4.556 1.00 0.00 C ATOM 722 C THR A 45 -14.269 5.252 -3.601 1.00 0.00 C ATOM 723 O THR A 45 -13.641 4.759 -2.665 1.00 0.00 O ATOM 724 CB THR A 45 -16.576 4.412 -4.317 1.00 0.00 C ATOM 725 OG1 THR A 45 -16.707 4.306 -2.901 1.00 0.00 O ATOM 726 CG2 THR A 45 -17.295 3.172 -4.851 1.00 0.00 C ATOM 0 H THR A 45 -14.492 2.660 -3.477 1.00 0.00 H new ATOM 0 HA THR A 45 -14.866 4.752 -5.554 1.00 0.00 H new ATOM 0 HB THR A 45 -16.989 5.303 -4.790 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.656 4.332 -2.657 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.364 3.259 -4.656 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.128 3.089 -5.925 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.906 2.283 -4.354 1.00 0.00 H new ATOM 734 N PRO A 46 -14.323 6.583 -3.875 1.00 0.00 N ATOM 735 CA PRO A 46 -13.614 7.547 -3.051 1.00 0.00 C ATOM 736 C PRO A 46 -14.331 7.759 -1.715 1.00 0.00 C ATOM 737 O PRO A 46 -15.351 7.125 -1.447 1.00 0.00 O ATOM 738 CB PRO A 46 -13.544 8.809 -3.894 1.00 0.00 C ATOM 739 CG PRO A 46 -14.614 8.657 -4.963 1.00 0.00 C ATOM 740 CD PRO A 46 -15.057 7.203 -4.974 1.00 0.00 C ATOM 0 HA PRO A 46 -12.614 7.211 -2.777 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -13.723 9.695 -3.286 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -12.557 8.925 -4.343 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.459 9.312 -4.753 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.223 8.944 -5.939 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.134 7.116 -4.830 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -14.823 6.725 -5.925 1.00 0.00 H new ATOM 748 N GLY A 47 -13.769 8.651 -0.913 1.00 0.00 N ATOM 749 CA GLY A 47 -14.341 8.953 0.387 1.00 0.00 C ATOM 750 C GLY A 47 -13.864 7.953 1.442 1.00 0.00 C ATOM 751 O GLY A 47 -13.475 8.343 2.542 1.00 0.00 O ATOM 0 H GLY A 47 -12.923 9.174 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.061 9.963 0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.429 8.929 0.324 1.00 0.00 H new ATOM 755 N GLU A 48 -13.912 6.682 1.071 1.00 0.00 N ATOM 756 CA GLU A 48 -13.489 5.622 1.971 1.00 0.00 C ATOM 757 C GLU A 48 -12.011 5.299 1.753 1.00 0.00 C ATOM 758 O GLU A 48 -11.654 4.628 0.786 1.00 0.00 O ATOM 759 CB GLU A 48 -14.356 4.375 1.794 1.00 0.00 C ATOM 760 CG GLU A 48 -14.558 4.053 0.312 1.00 0.00 C ATOM 761 CD GLU A 48 -14.585 2.541 0.078 1.00 0.00 C ATOM 762 OE1 GLU A 48 -14.974 1.827 1.027 1.00 0.00 O ATOM 763 OE2 GLU A 48 -14.216 2.135 -1.045 1.00 0.00 O ATOM 0 H GLU A 48 -14.238 6.362 0.159 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.616 5.970 2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.886 3.527 2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.324 4.530 2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.492 4.495 -0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.755 4.501 -0.274 1.00 0.00 H new ATOM 770 N THR A 49 -11.188 5.791 2.669 1.00 0.00 N ATOM 771 CA THR A 49 -9.756 5.561 2.588 1.00 0.00 C ATOM 772 C THR A 49 -9.457 4.062 2.542 1.00 0.00 C ATOM 773 O THR A 49 -10.238 3.254 3.042 1.00 0.00 O ATOM 774 CB THR A 49 -9.096 6.276 3.768 1.00 0.00 C ATOM 775 OG1 THR A 49 -9.538 5.545 4.908 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.656 7.683 3.988 1.00 0.00 C ATOM 0 H THR A 49 -11.486 6.347 3.470 1.00 0.00 H new ATOM 0 HA THR A 49 -9.341 5.971 1.667 1.00 0.00 H new ATOM 0 HB THR A 49 -8.021 6.335 3.601 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.854 4.891 5.163 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.153 8.146 4.837 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.489 8.285 3.095 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.726 7.622 4.189 1.00 0.00 H new ATOM 784 N ALA A 50 -8.325 3.735 1.936 1.00 0.00 N ATOM 785 CA ALA A 50 -7.913 2.346 1.818 1.00 0.00 C ATOM 786 C ALA A 50 -6.664 2.115 2.670 1.00 0.00 C ATOM 787 O ALA A 50 -5.950 3.060 3.001 1.00 0.00 O ATOM 788 CB ALA A 50 -7.686 2.004 0.345 1.00 0.00 C ATOM 0 H ALA A 50 -7.680 4.408 1.521 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.693 1.681 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.377 0.962 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.611 2.156 -0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.908 2.649 -0.063 1.00 0.00 H new ATOM 794 N HIS A 51 -6.437 0.852 3.000 1.00 0.00 N ATOM 795 CA HIS A 51 -5.286 0.484 3.807 1.00 0.00 C ATOM 796 C HIS A 51 -4.823 -0.924 3.430 1.00 0.00 C ATOM 797 O HIS A 51 -5.357 -1.912 3.932 1.00 0.00 O ATOM 798 CB HIS A 51 -5.599 0.626 5.298 1.00 0.00 C ATOM 799 CG HIS A 51 -6.624 1.689 5.612 1.00 0.00 C ATOM 800 ND1 HIS A 51 -7.873 1.396 6.132 1.00 0.00 N ATOM 801 CD2 HIS A 51 -6.573 3.045 5.473 1.00 0.00 C ATOM 802 CE1 HIS A 51 -8.536 2.532 6.296 1.00 0.00 C ATOM 803 NE2 HIS A 51 -7.728 3.553 5.886 1.00 0.00 N ATOM 0 H HIS A 51 -7.031 0.070 2.723 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.461 1.167 3.602 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.956 -0.332 5.677 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.677 0.856 5.832 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -8.224 0.464 6.352 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.735 3.610 5.092 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.538 2.632 6.685 1.00 0.00 H new ATOM 812 N VAL A 52 -3.834 -0.971 2.550 1.00 0.00 N ATOM 813 CA VAL A 52 -3.294 -2.243 2.099 1.00 0.00 C ATOM 814 C VAL A 52 -1.878 -2.414 2.652 1.00 0.00 C ATOM 815 O VAL A 52 -1.130 -1.444 2.765 1.00 0.00 O ATOM 816 CB VAL A 52 -3.354 -2.325 0.572 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.224 -0.936 -0.057 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.282 -3.274 0.032 1.00 0.00 C ATOM 0 H VAL A 52 -3.392 -0.149 2.137 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.894 -3.070 2.479 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.328 -2.728 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.270 -1.022 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.039 -0.301 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.271 -0.494 0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.346 -3.314 -1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.296 -2.913 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.439 -4.272 0.442 1.00 0.00 H new ATOM 828 N ARG A 53 -1.551 -3.656 2.980 1.00 0.00 N ATOM 829 CA ARG A 53 -0.238 -3.967 3.518 1.00 0.00 C ATOM 830 C ARG A 53 0.752 -4.232 2.382 1.00 0.00 C ATOM 831 O ARG A 53 0.996 -5.383 2.023 1.00 0.00 O ATOM 832 CB ARG A 53 -0.293 -5.191 4.433 1.00 0.00 C ATOM 833 CG ARG A 53 -1.083 -4.888 5.708 1.00 0.00 C ATOM 834 CD ARG A 53 -0.692 -5.844 6.837 1.00 0.00 C ATOM 835 NE ARG A 53 -1.495 -7.084 6.750 1.00 0.00 N ATOM 836 CZ ARG A 53 -1.558 -8.007 7.720 1.00 0.00 C ATOM 837 NH1 ARG A 53 -0.865 -7.837 8.854 1.00 0.00 N ATOM 838 NH2 ARG A 53 -2.315 -9.101 7.554 1.00 0.00 N ATOM 0 H ARG A 53 -2.173 -4.458 2.883 1.00 0.00 H new ATOM 0 HA ARG A 53 0.093 -3.107 4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.755 -6.024 3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.719 -5.501 4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.899 -3.859 6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.151 -4.974 5.507 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.369 -6.083 6.771 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.852 -5.364 7.803 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.034 -7.246 5.899 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.289 -7.005 8.980 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.914 -8.540 9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.842 -9.230 6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.364 -9.804 8.291 1.00 0.00 H new ATOM 852 N VAL A 54 1.296 -3.148 1.849 1.00 0.00 N ATOM 853 CA VAL A 54 2.254 -3.249 0.761 1.00 0.00 C ATOM 854 C VAL A 54 3.641 -3.550 1.334 1.00 0.00 C ATOM 855 O VAL A 54 3.997 -3.051 2.400 1.00 0.00 O ATOM 856 CB VAL A 54 2.221 -1.976 -0.086 1.00 0.00 C ATOM 857 CG1 VAL A 54 2.291 -0.728 0.797 1.00 0.00 C ATOM 858 CG2 VAL A 54 3.345 -1.978 -1.124 1.00 0.00 C ATOM 0 H VAL A 54 1.092 -2.195 2.150 1.00 0.00 H new ATOM 0 HA VAL A 54 1.991 -4.072 0.097 1.00 0.00 H new ATOM 0 HB VAL A 54 1.272 -1.954 -0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.266 0.163 0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.440 -0.716 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.217 -0.741 1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.298 -1.062 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.308 -2.035 -0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.230 -2.839 -1.783 1.00 0.00 H new ATOM 868 N PRO A 55 4.404 -4.387 0.582 1.00 0.00 N ATOM 869 CA PRO A 55 5.743 -4.761 1.004 1.00 0.00 C ATOM 870 C PRO A 55 6.728 -3.610 0.785 1.00 0.00 C ATOM 871 O PRO A 55 6.718 -2.971 -0.265 1.00 0.00 O ATOM 872 CB PRO A 55 6.084 -5.996 0.186 1.00 0.00 C ATOM 873 CG PRO A 55 5.120 -5.997 -0.989 1.00 0.00 C ATOM 874 CD PRO A 55 4.015 -4.998 -0.686 1.00 0.00 C ATOM 0 HA PRO A 55 5.802 -4.977 2.071 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.118 -5.964 -0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.974 -6.902 0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.639 -5.725 -1.908 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.703 -6.993 -1.140 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.929 -4.251 -1.475 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.046 -5.491 -0.607 1.00 0.00 H new ATOM 882 N PHE A 56 7.555 -3.382 1.795 1.00 0.00 N ATOM 883 CA PHE A 56 8.544 -2.319 1.727 1.00 0.00 C ATOM 884 C PHE A 56 9.328 -2.383 0.415 1.00 0.00 C ATOM 885 O PHE A 56 9.644 -1.352 -0.175 1.00 0.00 O ATOM 886 CB PHE A 56 9.509 -2.531 2.896 1.00 0.00 C ATOM 887 CG PHE A 56 10.234 -1.259 3.341 1.00 0.00 C ATOM 888 CD1 PHE A 56 11.414 -0.910 2.761 1.00 0.00 C ATOM 889 CD2 PHE A 56 9.699 -0.478 4.318 1.00 0.00 C ATOM 890 CE1 PHE A 56 12.086 0.270 3.174 1.00 0.00 C ATOM 891 CE2 PHE A 56 10.372 0.702 4.732 1.00 0.00 C ATOM 892 CZ PHE A 56 11.551 1.050 4.151 1.00 0.00 C ATOM 0 H PHE A 56 7.561 -3.915 2.665 1.00 0.00 H new ATOM 0 HA PHE A 56 8.051 -1.348 1.777 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.955 -2.937 3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.249 -3.279 2.612 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.839 -1.531 1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.762 -0.755 4.779 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.022 0.548 2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.948 1.322 5.508 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.063 1.947 4.466 1.00 0.00 H new ATOM 902 N VAL A 57 9.620 -3.606 -0.003 1.00 0.00 N ATOM 903 CA VAL A 57 10.362 -3.819 -1.234 1.00 0.00 C ATOM 904 C VAL A 57 9.507 -3.373 -2.422 1.00 0.00 C ATOM 905 O VAL A 57 10.030 -3.117 -3.506 1.00 0.00 O ATOM 906 CB VAL A 57 10.805 -5.280 -1.332 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.660 -6.227 -0.972 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.360 -5.593 -2.723 1.00 0.00 C ATOM 0 H VAL A 57 9.356 -4.460 0.489 1.00 0.00 H new ATOM 0 HA VAL A 57 11.271 -3.217 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 57 11.606 -5.435 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.003 -7.259 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.332 -6.030 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.828 -6.068 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.668 -6.638 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.589 -5.411 -3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.219 -4.953 -2.924 1.00 0.00 H new ATOM 918 N ASN A 58 8.207 -3.293 -2.179 1.00 0.00 N ATOM 919 CA ASN A 58 7.276 -2.883 -3.216 1.00 0.00 C ATOM 920 C ASN A 58 6.558 -1.607 -2.774 1.00 0.00 C ATOM 921 O ASN A 58 5.564 -1.208 -3.377 1.00 0.00 O ATOM 922 CB ASN A 58 6.217 -3.959 -3.462 1.00 0.00 C ATOM 923 CG ASN A 58 5.567 -3.784 -4.835 1.00 0.00 C ATOM 924 OD1 ASN A 58 5.122 -2.711 -5.209 1.00 0.00 O ATOM 925 ND2 ASN A 58 5.535 -4.896 -5.566 1.00 0.00 N ATOM 0 H ASN A 58 7.777 -3.505 -1.279 1.00 0.00 H new ATOM 0 HA ASN A 58 7.843 -2.718 -4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.674 -4.946 -3.395 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.454 -3.908 -2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.121 -4.882 -6.498 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.925 -5.762 -5.194 1.00 0.00 H new ATOM 932 N VAL A 59 7.089 -1.001 -1.722 1.00 0.00 N ATOM 933 CA VAL A 59 6.512 0.223 -1.191 1.00 0.00 C ATOM 934 C VAL A 59 6.889 1.395 -2.099 1.00 0.00 C ATOM 935 O VAL A 59 6.144 2.367 -2.206 1.00 0.00 O ATOM 936 CB VAL A 59 6.953 0.423 0.260 1.00 0.00 C ATOM 937 CG1 VAL A 59 7.061 1.912 0.599 1.00 0.00 C ATOM 938 CG2 VAL A 59 6.007 -0.292 1.225 1.00 0.00 C ATOM 0 H VAL A 59 7.913 -1.335 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 59 5.424 0.159 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 59 7.943 -0.020 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.376 2.027 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.793 2.382 -0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.090 2.388 0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.344 -0.133 2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.999 0.106 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.002 -1.360 1.006 1.00 0.00 H new ATOM 948 N GLN A 60 8.048 1.265 -2.729 1.00 0.00 N ATOM 949 CA GLN A 60 8.534 2.302 -3.623 1.00 0.00 C ATOM 950 C GLN A 60 7.709 2.319 -4.912 1.00 0.00 C ATOM 951 O GLN A 60 7.033 3.304 -5.207 1.00 0.00 O ATOM 952 CB GLN A 60 10.021 2.111 -3.926 1.00 0.00 C ATOM 953 CG GLN A 60 10.669 3.433 -4.344 1.00 0.00 C ATOM 954 CD GLN A 60 10.662 4.437 -3.190 1.00 0.00 C ATOM 955 OE1 GLN A 60 10.263 4.138 -2.076 1.00 0.00 O ATOM 956 NE2 GLN A 60 11.124 5.640 -3.517 1.00 0.00 N ATOM 0 H GLN A 60 8.664 0.457 -2.638 1.00 0.00 H new ATOM 0 HA GLN A 60 8.419 3.266 -3.128 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.528 1.716 -3.045 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.142 1.375 -4.721 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.694 3.253 -4.668 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.134 3.850 -5.197 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.442 5.823 -4.469 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.160 6.380 -2.816 1.00 0.00 H new ATOM 965 N ALA A 61 7.793 1.219 -5.645 1.00 0.00 N ATOM 966 CA ALA A 61 7.063 1.096 -6.896 1.00 0.00 C ATOM 967 C ALA A 61 5.631 1.597 -6.697 1.00 0.00 C ATOM 968 O ALA A 61 5.057 2.217 -7.591 1.00 0.00 O ATOM 969 CB ALA A 61 7.111 -0.357 -7.374 1.00 0.00 C ATOM 0 H ALA A 61 8.355 0.405 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 61 7.523 1.710 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.564 -0.450 -8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.148 -0.655 -7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.655 -1.002 -6.623 1.00 0.00 H new ATOM 975 N VAL A 62 5.096 1.311 -5.519 1.00 0.00 N ATOM 976 CA VAL A 62 3.742 1.724 -5.192 1.00 0.00 C ATOM 977 C VAL A 62 3.721 3.234 -4.942 1.00 0.00 C ATOM 978 O VAL A 62 2.832 3.934 -5.422 1.00 0.00 O ATOM 979 CB VAL A 62 3.220 0.915 -4.003 1.00 0.00 C ATOM 980 CG1 VAL A 62 1.823 1.384 -3.591 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.225 -0.583 -4.316 1.00 0.00 C ATOM 0 H VAL A 62 5.576 0.798 -4.779 1.00 0.00 H new ATOM 0 HA VAL A 62 3.070 1.522 -6.026 1.00 0.00 H new ATOM 0 HB VAL A 62 3.892 1.085 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.476 0.792 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.861 2.436 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.136 1.258 -4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.850 -1.136 -3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.587 -0.777 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.242 -0.905 -4.538 1.00 0.00 H new ATOM 991 N LYS A 63 4.714 3.691 -4.192 1.00 0.00 N ATOM 992 CA LYS A 63 4.820 5.104 -3.872 1.00 0.00 C ATOM 993 C LYS A 63 4.880 5.913 -5.170 1.00 0.00 C ATOM 994 O LYS A 63 4.369 7.029 -5.234 1.00 0.00 O ATOM 995 CB LYS A 63 6.005 5.354 -2.938 1.00 0.00 C ATOM 996 CG LYS A 63 5.599 5.166 -1.474 1.00 0.00 C ATOM 997 CD LYS A 63 5.868 6.436 -0.663 1.00 0.00 C ATOM 998 CE LYS A 63 4.962 6.503 0.568 1.00 0.00 C ATOM 999 NZ LYS A 63 5.005 7.854 1.171 1.00 0.00 N ATOM 0 H LYS A 63 5.452 3.108 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 63 3.937 5.438 -3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.817 4.670 -3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.383 6.365 -3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.541 4.911 -1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.152 4.331 -1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.912 6.459 -0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.703 7.313 -1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.938 6.256 0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.279 5.761 1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.372 7.887 1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.977 8.069 1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.697 8.557 0.470 1.00 0.00 H new ATOM 1013 N VAL A 64 5.507 5.316 -6.173 1.00 0.00 N ATOM 1014 CA VAL A 64 5.640 5.967 -7.465 1.00 0.00 C ATOM 1015 C VAL A 64 4.298 5.913 -8.198 1.00 0.00 C ATOM 1016 O VAL A 64 3.933 6.855 -8.900 1.00 0.00 O ATOM 1017 CB VAL A 64 6.781 5.328 -8.259 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.639 5.619 -9.754 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.142 5.794 -7.736 1.00 0.00 C ATOM 0 H VAL A 64 5.928 4.389 -6.117 1.00 0.00 H new ATOM 0 HA VAL A 64 5.900 7.018 -7.338 1.00 0.00 H new ATOM 0 HB VAL A 64 6.721 4.248 -8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.463 5.153 -10.295 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.693 5.215 -10.115 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.660 6.696 -9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.935 5.325 -8.318 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.216 6.878 -7.829 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.245 5.512 -6.688 1.00 0.00 H new ATOM 1029 N PHE A 65 3.602 4.803 -8.011 1.00 0.00 N ATOM 1030 CA PHE A 65 2.309 4.614 -8.645 1.00 0.00 C ATOM 1031 C PHE A 65 1.309 5.674 -8.180 1.00 0.00 C ATOM 1032 O PHE A 65 0.738 6.396 -8.996 1.00 0.00 O ATOM 1033 CB PHE A 65 1.801 3.233 -8.225 1.00 0.00 C ATOM 1034 CG PHE A 65 0.609 2.733 -9.043 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.794 2.295 -10.318 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.636 2.725 -8.496 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.312 1.830 -11.077 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.743 2.261 -9.255 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.557 1.824 -10.530 1.00 0.00 C ATOM 0 H PHE A 65 3.909 4.024 -7.429 1.00 0.00 H new ATOM 0 HA PHE A 65 2.411 4.699 -9.727 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.616 2.515 -8.314 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.518 3.266 -7.173 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.783 2.301 -10.753 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.783 3.072 -7.484 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.165 1.481 -12.088 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.732 2.255 -8.820 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.399 1.472 -11.108 1.00 0.00 H new ATOM 1049 N LEU A 66 1.127 5.735 -6.868 1.00 0.00 N ATOM 1050 CA LEU A 66 0.206 6.695 -6.284 1.00 0.00 C ATOM 1051 C LEU A 66 0.447 8.072 -6.909 1.00 0.00 C ATOM 1052 O LEU A 66 -0.468 8.669 -7.475 1.00 0.00 O ATOM 1053 CB LEU A 66 0.318 6.685 -4.758 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.305 5.482 -4.048 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.700 4.822 -3.102 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.595 5.878 -3.327 1.00 0.00 C ATOM 0 H LEU A 66 1.602 5.135 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.824 6.419 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.374 6.733 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.150 7.591 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.572 4.742 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.231 3.970 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.566 4.482 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.020 5.544 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.017 5.004 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.376 6.646 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.312 6.266 -4.051 1.00 0.00 H new ATOM 1068 N GLU A 67 1.682 8.534 -6.785 1.00 0.00 N ATOM 1069 CA GLU A 67 2.055 9.829 -7.330 1.00 0.00 C ATOM 1070 C GLU A 67 1.702 9.900 -8.817 1.00 0.00 C ATOM 1071 O GLU A 67 1.118 10.881 -9.275 1.00 0.00 O ATOM 1072 CB GLU A 67 3.541 10.112 -7.106 1.00 0.00 C ATOM 1073 CG GLU A 67 3.766 10.839 -5.779 1.00 0.00 C ATOM 1074 CD GLU A 67 3.882 12.350 -5.995 1.00 0.00 C ATOM 1075 OE1 GLU A 67 2.824 12.974 -6.221 1.00 0.00 O ATOM 1076 OE2 GLU A 67 5.028 12.846 -5.929 1.00 0.00 O ATOM 0 H GLU A 67 2.438 8.035 -6.315 1.00 0.00 H new ATOM 0 HA GLU A 67 1.490 10.598 -6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.098 9.175 -7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.928 10.717 -7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.940 10.627 -5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.673 10.465 -5.304 1.00 0.00 H new ATOM 1083 N SER A 68 2.071 8.846 -9.531 1.00 0.00 N ATOM 1084 CA SER A 68 1.801 8.776 -10.957 1.00 0.00 C ATOM 1085 C SER A 68 0.312 9.007 -11.219 1.00 0.00 C ATOM 1086 O SER A 68 -0.054 9.737 -12.139 1.00 0.00 O ATOM 1087 CB SER A 68 2.239 7.429 -11.536 1.00 0.00 C ATOM 1088 OG SER A 68 1.194 6.462 -11.487 1.00 0.00 O ATOM 0 H SER A 68 2.555 8.034 -9.148 1.00 0.00 H new ATOM 0 HA SER A 68 2.377 9.558 -11.453 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.559 7.565 -12.569 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.101 7.059 -10.981 1.00 0.00 H new ATOM 0 HG SER A 68 1.129 6.096 -10.580 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.508 8.371 -10.396 1.00 0.00 N ATOM 1095 CA GLN A 69 -1.949 8.498 -10.527 1.00 0.00 C ATOM 1096 C GLN A 69 -2.433 9.780 -9.847 1.00 0.00 C ATOM 1097 O GLN A 69 -3.633 9.974 -9.661 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.662 7.271 -9.956 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.334 7.087 -8.473 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.198 5.988 -7.852 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -4.503 6.240 -7.889 1.00 0.00 O flip ATOM 1102 NE2 GLN A 69 -2.712 4.977 -7.372 1.00 0.00 N flip ATOM 0 H GLN A 69 -0.201 7.765 -9.635 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.194 8.558 -11.587 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.739 7.380 -10.083 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.364 6.382 -10.511 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.280 6.834 -8.359 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.496 8.025 -7.942 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.700 4.846 -7.376 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.317 4.263 -6.967 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.473 10.623 -9.493 1.00 0.00 N ATOM 1112 CA GLY A 70 -1.787 11.880 -8.837 1.00 0.00 C ATOM 1113 C GLY A 70 -2.767 11.668 -7.681 1.00 0.00 C ATOM 1114 O GLY A 70 -3.805 12.323 -7.614 1.00 0.00 O ATOM 0 H GLY A 70 -0.478 10.459 -9.648 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.871 12.337 -8.462 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.217 12.574 -9.560 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.403 10.747 -6.801 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.238 10.439 -5.652 1.00 0.00 C ATOM 1120 C ILE A 71 -2.541 10.920 -4.378 1.00 0.00 C ATOM 1121 O ILE A 71 -1.417 11.417 -4.430 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.594 8.951 -5.632 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.813 8.691 -4.743 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.391 8.104 -5.217 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.621 7.498 -5.257 1.00 0.00 C ATOM 0 H ILE A 71 -1.542 10.204 -6.860 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.188 10.970 -5.718 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.864 8.651 -6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.488 8.501 -3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.445 9.579 -4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.672 7.051 -5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.576 8.258 -5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.066 8.398 -4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.481 7.334 -4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.965 7.701 -6.271 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.993 6.607 -5.259 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.239 10.757 -3.262 1.00 0.00 N ATOM 1138 CA ALA A 72 -2.701 11.169 -1.977 1.00 0.00 C ATOM 1139 C ALA A 72 -2.831 10.015 -0.981 1.00 0.00 C ATOM 1140 O ALA A 72 -3.933 9.536 -0.722 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.423 12.433 -1.503 1.00 0.00 C ATOM 0 H ALA A 72 -4.171 10.346 -3.222 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.642 11.412 -2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.020 12.742 -0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.276 13.231 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.488 12.227 -1.401 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.689 9.602 -0.450 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.661 8.513 0.511 1.00 0.00 C ATOM 1149 C TYR A 73 -0.915 8.924 1.782 1.00 0.00 C ATOM 1150 O TYR A 73 -0.593 10.097 1.967 1.00 0.00 O ATOM 1151 CB TYR A 73 -0.901 7.372 -0.167 1.00 0.00 C ATOM 1152 CG TYR A 73 0.281 7.833 -1.022 1.00 0.00 C ATOM 1153 CD1 TYR A 73 0.055 8.524 -2.196 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.572 7.558 -0.620 1.00 0.00 C ATOM 1155 CE1 TYR A 73 1.166 8.958 -3.001 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.685 7.993 -1.426 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.426 8.671 -2.577 1.00 0.00 C ATOM 1158 OH TYR A 73 3.477 9.081 -3.337 1.00 0.00 O ATOM 0 H TYR A 73 -0.776 10.002 -0.667 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.673 8.228 0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.537 6.686 0.598 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.593 6.811 -0.795 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.956 8.739 -2.510 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.748 7.017 0.298 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.003 9.499 -3.921 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.701 7.786 -1.123 1.00 0.00 H new ATOM 0 HH TYR A 73 3.726 8.369 -3.962 1.00 0.00 H new ATOM 1168 N SER A 74 -0.663 7.935 2.627 1.00 0.00 N ATOM 1169 CA SER A 74 0.039 8.178 3.876 1.00 0.00 C ATOM 1170 C SER A 74 0.632 6.871 4.407 1.00 0.00 C ATOM 1171 O SER A 74 0.196 5.787 4.021 1.00 0.00 O ATOM 1172 CB SER A 74 -0.891 8.801 4.919 1.00 0.00 C ATOM 1173 OG SER A 74 -0.170 9.519 5.916 1.00 0.00 O ATOM 0 H SER A 74 -0.932 6.964 2.471 1.00 0.00 H new ATOM 0 HA SER A 74 0.847 8.883 3.682 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.592 9.473 4.424 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.481 8.017 5.393 1.00 0.00 H new ATOM 0 HG SER A 74 -0.799 9.903 6.562 1.00 0.00 H new ATOM 1179 N ILE A 75 1.614 7.017 5.282 1.00 0.00 N ATOM 1180 CA ILE A 75 2.271 5.861 5.870 1.00 0.00 C ATOM 1181 C ILE A 75 1.694 5.605 7.264 1.00 0.00 C ATOM 1182 O ILE A 75 1.842 6.433 8.162 1.00 0.00 O ATOM 1183 CB ILE A 75 3.789 6.044 5.857 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.309 6.228 4.430 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.487 4.886 6.575 1.00 0.00 C ATOM 1186 CD1 ILE A 75 5.361 7.336 4.368 1.00 0.00 C ATOM 0 H ILE A 75 1.972 7.918 5.599 1.00 0.00 H new ATOM 0 HA ILE A 75 2.075 4.969 5.275 1.00 0.00 H new ATOM 0 HB ILE A 75 4.026 6.955 6.406 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.740 5.293 4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.480 6.471 3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.566 5.041 6.551 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.149 4.843 7.610 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.244 3.948 6.075 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.714 7.446 3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.920 8.275 4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.200 7.078 5.015 1.00 0.00 H new ATOM 1198 N MET A 76 1.048 4.457 7.401 1.00 0.00 N ATOM 1199 CA MET A 76 0.448 4.083 8.670 1.00 0.00 C ATOM 1200 C MET A 76 1.500 3.530 9.632 1.00 0.00 C ATOM 1201 O MET A 76 2.126 4.286 10.374 1.00 0.00 O ATOM 1202 CB MET A 76 -0.632 3.025 8.431 1.00 0.00 C ATOM 1203 CG MET A 76 -1.050 2.364 9.746 1.00 0.00 C ATOM 1204 SD MET A 76 -2.830 2.272 9.844 1.00 0.00 S ATOM 1205 CE MET A 76 -3.084 2.916 11.489 1.00 0.00 C ATOM 0 H MET A 76 0.927 3.773 6.654 1.00 0.00 H new ATOM 0 HA MET A 76 0.006 4.973 9.118 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.500 3.486 7.959 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.259 2.268 7.741 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.622 1.364 9.812 1.00 0.00 H new ATOM 0 HG3 MET A 76 -0.660 2.934 10.589 1.00 0.00 H new ATOM 0 HE1 MET A 76 -4.150 2.928 11.714 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.568 2.284 12.211 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.689 3.930 11.548 1.00 0.00 H new ATOM 1215 N ILE A 77 1.664 2.216 9.589 1.00 0.00 N ATOM 1216 CA ILE A 77 2.630 1.553 10.448 1.00 0.00 C ATOM 1217 C ILE A 77 3.889 1.232 9.640 1.00 0.00 C ATOM 1218 O ILE A 77 3.804 0.873 8.467 1.00 0.00 O ATOM 1219 CB ILE A 77 2.001 0.330 11.117 1.00 0.00 C ATOM 1220 CG1 ILE A 77 2.993 -0.344 12.069 1.00 0.00 C ATOM 1221 CG2 ILE A 77 1.454 -0.646 10.075 1.00 0.00 C ATOM 1222 CD1 ILE A 77 3.396 0.602 13.201 1.00 0.00 C ATOM 0 H ILE A 77 1.144 1.592 8.972 1.00 0.00 H new ATOM 0 HA ILE A 77 2.932 2.213 11.261 1.00 0.00 H new ATOM 0 HB ILE A 77 1.155 0.666 11.717 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.546 -1.246 12.486 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.880 -0.654 11.516 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.013 -1.506 10.578 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.693 -0.148 9.474 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.265 -0.981 9.429 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.101 0.098 13.862 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.864 1.492 12.782 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.510 0.890 13.767 1.00 0.00 H new ATOM 1234 N GLU A 78 5.029 1.375 10.299 1.00 0.00 N ATOM 1235 CA GLU A 78 6.304 1.105 9.657 1.00 0.00 C ATOM 1236 C GLU A 78 6.726 -0.345 9.902 1.00 0.00 C ATOM 1237 O GLU A 78 5.891 -1.247 9.898 1.00 0.00 O ATOM 1238 CB GLU A 78 7.380 2.079 10.143 1.00 0.00 C ATOM 1239 CG GLU A 78 6.786 3.463 10.411 1.00 0.00 C ATOM 1240 CD GLU A 78 7.819 4.562 10.157 1.00 0.00 C ATOM 1241 OE1 GLU A 78 8.498 4.472 9.111 1.00 0.00 O ATOM 1242 OE2 GLU A 78 7.907 5.468 11.014 1.00 0.00 O ATOM 0 H GLU A 78 5.096 1.675 11.272 1.00 0.00 H new ATOM 0 HA GLU A 78 6.186 1.252 8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.840 1.694 11.053 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.170 2.157 9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.918 3.620 9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.436 3.519 11.442 1.00 0.00 H new