USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 768 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 92 HIS : no HD1:sc= -7.41! C(o=-16!,f=-7.1!) USER MOD Set 1.2: A 96 GLN : amide:sc= -8.62! C(o=-16!,f=-7.1!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -0:sc= -0.0799 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 0:sc= -0.938 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 60 CYS SG : rot 31:sc= -0.881 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.274 K(o=-0.27,f=-5.2!) USER MOD Single : A 71 TYR OH : rot 90:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.655 K(o=-0.66,f=0.039) USER MOD Single : A 77 GLN : amide:sc= -0.543 X(o=-0.54,f=-0.45) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.444 X(o=-0.44,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.876 K(o=-0.88,f=-5.3!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -131:sc= -2.37 (180deg=-5.62!) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -179:sc= 0.00842 (180deg=0.0084) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 11 0.892 23.102 4.302 1.00 0.00 N ATOM 109 CA TRP A 11 0.372 21.769 4.018 1.00 0.00 C ATOM 110 C TRP A 11 1.105 20.713 4.838 1.00 0.00 C ATOM 111 O TRP A 11 2.333 20.633 4.811 1.00 0.00 O ATOM 112 CB TRP A 11 0.503 21.455 2.526 1.00 0.00 C ATOM 113 CG TRP A 11 -0.518 20.475 2.034 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.431 19.794 2.787 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.728 20.066 0.678 1.00 0.00 C ATOM 116 NE1 TRP A 11 -2.196 18.986 1.982 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.786 19.135 0.683 1.00 0.00 C ATOM 118 CE3 TRP A 11 -0.128 20.396 -0.540 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -2.252 18.532 -0.482 1.00 0.00 C ATOM 120 CZ3 TRP A 11 -0.592 19.797 -1.696 1.00 0.00 C ATOM 121 CH2 TRP A 11 -1.646 18.874 -1.660 1.00 0.00 C ATOM 0 HA TRP A 11 -0.682 21.751 4.295 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.411 22.381 1.958 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.500 21.059 2.331 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.536 19.878 3.859 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.948 18.374 2.300 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.684 21.107 -0.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.063 17.819 -0.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -0.135 20.044 -2.643 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.987 18.424 -2.581 1.00 0.00 H new ATOM 132 N VAL A 12 0.343 19.903 5.567 1.00 0.00 N ATOM 133 CA VAL A 12 0.920 18.850 6.394 1.00 0.00 C ATOM 134 C VAL A 12 1.383 17.673 5.542 1.00 0.00 C ATOM 135 O VAL A 12 2.196 16.858 5.980 1.00 0.00 O ATOM 136 CB VAL A 12 -0.088 18.344 7.443 1.00 0.00 C ATOM 137 CG1 VAL A 12 -1.333 17.794 6.765 1.00 0.00 C ATOM 138 CG2 VAL A 12 0.554 17.292 8.334 1.00 0.00 C ATOM 0 H VAL A 12 -0.675 19.956 5.601 1.00 0.00 H new ATOM 0 HA VAL A 12 1.779 19.285 6.906 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.387 19.184 8.070 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.034 17.441 7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.803 18.580 6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.056 16.966 6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.172 16.946 9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.883 16.450 7.724 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.412 17.725 8.848 1.00 0.00 H new ATOM 148 N LEU A 13 0.862 17.591 4.323 1.00 0.00 N ATOM 149 CA LEU A 13 1.222 16.514 3.408 1.00 0.00 C ATOM 150 C LEU A 13 2.725 16.500 3.148 1.00 0.00 C ATOM 151 O LEU A 13 3.419 15.521 3.423 1.00 0.00 O ATOM 152 CB LEU A 13 0.466 16.666 2.087 1.00 0.00 C ATOM 153 CG LEU A 13 1.198 16.181 0.835 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.290 14.663 0.825 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.498 16.683 -0.420 1.00 0.00 C ATOM 0 H LEU A 13 0.189 18.258 3.945 1.00 0.00 H new ATOM 0 HA LEU A 13 0.943 15.568 3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.476 16.123 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.217 17.719 1.953 1.00 0.00 H new ATOM 0 HG LEU A 13 2.210 16.586 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.814 14.336 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.836 14.326 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.286 14.238 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.032 16.328 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.525 16.308 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.485 17.773 -0.418 1.00 0.00 H new ATOM 167 N PRO A 14 3.243 17.613 2.607 1.00 0.00 N ATOM 168 CA PRO A 14 4.670 17.755 2.301 1.00 0.00 C ATOM 169 C PRO A 14 5.526 17.851 3.559 1.00 0.00 C ATOM 170 O PRO A 14 6.754 17.824 3.489 1.00 0.00 O ATOM 171 CB PRO A 14 4.734 19.063 1.509 1.00 0.00 C ATOM 172 CG PRO A 14 3.542 19.836 1.957 1.00 0.00 C ATOM 173 CD PRO A 14 2.476 18.819 2.253 1.00 0.00 C ATOM 0 HA PRO A 14 5.059 16.893 1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.657 19.605 1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.705 18.877 0.435 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.772 20.429 2.842 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.214 20.531 1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.831 19.140 3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.834 18.647 1.389 1.00 0.00 H new ATOM 181 N SER A 15 4.869 17.962 4.709 1.00 0.00 N ATOM 182 CA SER A 15 5.570 18.065 5.983 1.00 0.00 C ATOM 183 C SER A 15 5.792 16.685 6.595 1.00 0.00 C ATOM 184 O SER A 15 6.789 16.450 7.276 1.00 0.00 O ATOM 185 CB SER A 15 4.781 18.945 6.954 1.00 0.00 C ATOM 186 OG SER A 15 5.290 18.834 8.272 1.00 0.00 O ATOM 0 H SER A 15 3.852 17.983 4.784 1.00 0.00 H new ATOM 0 HA SER A 15 6.542 18.522 5.798 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.829 19.984 6.629 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.730 18.655 6.941 1.00 0.00 H new ATOM 0 HG SER A 15 4.770 19.407 8.873 1.00 0.00 H new ATOM 192 N GLU A 16 4.855 15.776 6.345 1.00 0.00 N ATOM 193 CA GLU A 16 4.947 14.420 6.872 1.00 0.00 C ATOM 194 C GLU A 16 5.816 13.545 5.972 1.00 0.00 C ATOM 195 O GLU A 16 6.726 12.863 6.443 1.00 0.00 O ATOM 196 CB GLU A 16 3.552 13.805 7.006 1.00 0.00 C ATOM 197 CG GLU A 16 3.570 12.322 7.337 1.00 0.00 C ATOM 198 CD GLU A 16 3.778 12.057 8.815 1.00 0.00 C ATOM 199 OE1 GLU A 16 4.440 12.881 9.479 1.00 0.00 O ATOM 200 OE2 GLU A 16 3.278 11.024 9.308 1.00 0.00 O ATOM 0 H GLU A 16 4.024 15.954 5.781 1.00 0.00 H new ATOM 0 HA GLU A 16 5.410 14.471 7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.003 14.336 7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.007 13.954 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.630 11.871 7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.364 11.836 6.769 1.00 0.00 H new ATOM 207 N VAL A 17 5.526 13.570 4.675 1.00 0.00 N ATOM 208 CA VAL A 17 6.280 12.780 3.709 1.00 0.00 C ATOM 209 C VAL A 17 7.771 12.801 4.026 1.00 0.00 C ATOM 210 O VAL A 17 8.450 11.778 3.932 1.00 0.00 O ATOM 211 CB VAL A 17 6.065 13.295 2.273 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.075 12.669 1.324 1.00 0.00 C ATOM 213 CG2 VAL A 17 4.643 13.011 1.814 1.00 0.00 C ATOM 0 H VAL A 17 4.775 14.128 4.269 1.00 0.00 H new ATOM 0 HA VAL A 17 5.911 11.757 3.780 1.00 0.00 H new ATOM 0 HB VAL A 17 6.217 14.374 2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.907 13.045 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.084 12.928 1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.958 11.585 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.508 13.381 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.461 11.936 1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.939 13.512 2.479 1.00 0.00 H new ATOM 223 N GLU A 18 8.275 13.972 4.402 1.00 0.00 N ATOM 224 CA GLU A 18 9.687 14.126 4.733 1.00 0.00 C ATOM 225 C GLU A 18 10.081 13.198 5.878 1.00 0.00 C ATOM 226 O GLU A 18 11.158 12.601 5.867 1.00 0.00 O ATOM 227 CB GLU A 18 9.990 15.577 5.110 1.00 0.00 C ATOM 228 CG GLU A 18 9.685 16.571 4.002 1.00 0.00 C ATOM 229 CD GLU A 18 10.683 16.497 2.862 1.00 0.00 C ATOM 230 OE1 GLU A 18 10.877 15.393 2.313 1.00 0.00 O ATOM 231 OE2 GLU A 18 11.269 17.545 2.519 1.00 0.00 O ATOM 0 H GLU A 18 7.727 14.828 4.485 1.00 0.00 H new ATOM 0 HA GLU A 18 10.272 13.858 3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.410 15.842 5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.042 15.661 5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.683 16.383 3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.684 17.580 4.414 1.00 0.00 H new ATOM 238 N VAL A 19 9.200 13.081 6.868 1.00 0.00 N ATOM 239 CA VAL A 19 9.455 12.226 8.021 1.00 0.00 C ATOM 240 C VAL A 19 9.390 10.752 7.637 1.00 0.00 C ATOM 241 O VAL A 19 10.177 9.938 8.121 1.00 0.00 O ATOM 242 CB VAL A 19 8.446 12.495 9.153 1.00 0.00 C ATOM 243 CG1 VAL A 19 8.687 11.550 10.320 1.00 0.00 C ATOM 244 CG2 VAL A 19 8.528 13.945 9.605 1.00 0.00 C ATOM 0 H VAL A 19 8.304 13.568 6.894 1.00 0.00 H new ATOM 0 HA VAL A 19 10.458 12.463 8.375 1.00 0.00 H new ATOM 0 HB VAL A 19 7.441 12.313 8.771 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.964 11.755 11.110 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.573 10.520 9.983 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.696 11.697 10.705 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.808 14.118 10.405 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.533 14.156 9.969 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.301 14.601 8.765 1.00 0.00 H new ATOM 254 N LEU A 20 8.447 10.415 6.764 1.00 0.00 N ATOM 255 CA LEU A 20 8.279 9.038 6.313 1.00 0.00 C ATOM 256 C LEU A 20 9.459 8.598 5.453 1.00 0.00 C ATOM 257 O LEU A 20 10.080 7.568 5.714 1.00 0.00 O ATOM 258 CB LEU A 20 6.976 8.894 5.524 1.00 0.00 C ATOM 259 CG LEU A 20 5.697 9.289 6.263 1.00 0.00 C ATOM 260 CD1 LEU A 20 4.514 9.310 5.307 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.434 8.337 7.420 1.00 0.00 C ATOM 0 H LEU A 20 7.787 11.076 6.354 1.00 0.00 H new ATOM 0 HA LEU A 20 8.236 8.397 7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.052 9.500 4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.881 7.856 5.204 1.00 0.00 H new ATOM 0 HG LEU A 20 5.829 10.292 6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.612 9.593 5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.701 10.032 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.380 8.319 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.520 8.633 7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.323 7.322 7.038 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.271 8.372 8.118 1.00 0.00 H new ATOM 273 N GLU A 21 9.764 9.387 4.427 1.00 0.00 N ATOM 274 CA GLU A 21 10.871 9.079 3.530 1.00 0.00 C ATOM 275 C GLU A 21 12.094 8.614 4.314 1.00 0.00 C ATOM 276 O GLU A 21 12.573 7.495 4.132 1.00 0.00 O ATOM 277 CB GLU A 21 11.228 10.304 2.686 1.00 0.00 C ATOM 278 CG GLU A 21 10.239 10.583 1.567 1.00 0.00 C ATOM 279 CD GLU A 21 10.833 11.431 0.460 1.00 0.00 C ATOM 280 OE1 GLU A 21 10.970 12.657 0.659 1.00 0.00 O ATOM 281 OE2 GLU A 21 11.162 10.870 -0.606 1.00 0.00 O ATOM 0 H GLU A 21 9.260 10.243 4.197 1.00 0.00 H new ATOM 0 HA GLU A 21 10.556 8.271 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.285 11.178 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.219 10.162 2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.893 9.638 1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.365 11.089 1.978 1.00 0.00 H new ATOM 288 N SER A 22 12.595 9.482 5.188 1.00 0.00 N ATOM 289 CA SER A 22 13.765 9.162 5.998 1.00 0.00 C ATOM 290 C SER A 22 13.704 7.722 6.496 1.00 0.00 C ATOM 291 O SER A 22 14.735 7.090 6.727 1.00 0.00 O ATOM 292 CB SER A 22 13.866 10.121 7.186 1.00 0.00 C ATOM 293 OG SER A 22 12.636 10.197 7.886 1.00 0.00 O ATOM 0 H SER A 22 12.209 10.412 5.353 1.00 0.00 H new ATOM 0 HA SER A 22 14.651 9.274 5.373 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.653 9.786 7.862 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.149 11.113 6.834 1.00 0.00 H new ATOM 0 HG SER A 22 11.977 9.616 7.453 1.00 0.00 H new ATOM 299 N ILE A 23 12.489 7.209 6.658 1.00 0.00 N ATOM 300 CA ILE A 23 12.293 5.843 7.128 1.00 0.00 C ATOM 301 C ILE A 23 12.157 4.874 5.958 1.00 0.00 C ATOM 302 O ILE A 23 12.758 3.800 5.955 1.00 0.00 O ATOM 303 CB ILE A 23 11.045 5.729 8.023 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.155 6.684 9.213 1.00 0.00 C ATOM 305 CG2 ILE A 23 10.865 4.296 8.501 1.00 0.00 C ATOM 306 CD1 ILE A 23 9.815 7.123 9.761 1.00 0.00 C ATOM 0 H ILE A 23 11.626 7.719 6.471 1.00 0.00 H new ATOM 0 HA ILE A 23 13.174 5.581 7.713 1.00 0.00 H new ATOM 0 HB ILE A 23 10.169 6.008 7.437 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.722 6.198 10.007 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.721 7.565 8.910 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.979 4.232 9.132 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.746 3.638 7.640 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.741 3.991 9.073 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.970 7.798 10.603 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.254 7.638 8.981 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.255 6.250 10.095 1.00 0.00 H new ATOM 318 N TYR A 24 11.363 5.262 4.966 1.00 0.00 N ATOM 319 CA TYR A 24 11.147 4.428 3.790 1.00 0.00 C ATOM 320 C TYR A 24 11.683 5.108 2.533 1.00 0.00 C ATOM 321 O TYR A 24 10.993 5.193 1.517 1.00 0.00 O ATOM 322 CB TYR A 24 9.658 4.122 3.622 1.00 0.00 C ATOM 323 CG TYR A 24 8.970 3.735 4.912 1.00 0.00 C ATOM 324 CD1 TYR A 24 9.317 2.570 5.585 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.974 4.535 5.458 1.00 0.00 C ATOM 326 CE1 TYR A 24 8.691 2.212 6.763 1.00 0.00 C ATOM 327 CE2 TYR A 24 7.344 4.186 6.637 1.00 0.00 C ATOM 328 CZ TYR A 24 7.705 3.023 7.285 1.00 0.00 C ATOM 329 OH TYR A 24 7.080 2.671 8.459 1.00 0.00 O ATOM 0 H TYR A 24 10.859 6.148 4.953 1.00 0.00 H new ATOM 0 HA TYR A 24 11.689 3.494 3.935 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.161 4.997 3.203 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.541 3.313 2.901 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.090 1.933 5.180 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.687 5.445 4.952 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.972 1.302 7.273 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.573 4.820 7.049 1.00 0.00 H new ATOM 0 HH TYR A 24 6.412 3.349 8.690 1.00 0.00 H new ATOM 339 N LEU A 25 12.918 5.590 2.611 1.00 0.00 N ATOM 340 CA LEU A 25 13.549 6.262 1.480 1.00 0.00 C ATOM 341 C LEU A 25 13.451 5.413 0.217 1.00 0.00 C ATOM 342 O LEU A 25 12.844 5.822 -0.773 1.00 0.00 O ATOM 343 CB LEU A 25 15.016 6.562 1.794 1.00 0.00 C ATOM 344 CG LEU A 25 15.290 7.869 2.539 1.00 0.00 C ATOM 345 CD1 LEU A 25 16.725 7.906 3.042 1.00 0.00 C ATOM 346 CD2 LEU A 25 15.007 9.064 1.641 1.00 0.00 C ATOM 0 H LEU A 25 13.502 5.528 3.445 1.00 0.00 H new ATOM 0 HA LEU A 25 13.021 7.200 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.415 5.739 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.571 6.579 0.856 1.00 0.00 H new ATOM 0 HG LEU A 25 14.623 7.921 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.902 8.843 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.894 7.070 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.409 7.831 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.207 9.985 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.648 9.018 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.962 9.046 1.330 1.00 0.00 H new ATOM 358 N ASP A 26 14.050 4.228 0.259 1.00 0.00 N ATOM 359 CA ASP A 26 14.027 3.318 -0.881 1.00 0.00 C ATOM 360 C ASP A 26 12.664 2.646 -1.012 1.00 0.00 C ATOM 361 O ASP A 26 11.948 2.859 -1.990 1.00 0.00 O ATOM 362 CB ASP A 26 15.120 2.259 -0.737 1.00 0.00 C ATOM 363 CG ASP A 26 15.312 1.449 -2.004 1.00 0.00 C ATOM 364 OD1 ASP A 26 15.411 2.060 -3.089 1.00 0.00 O ATOM 365 OD2 ASP A 26 15.362 0.204 -1.912 1.00 0.00 O ATOM 0 H ASP A 26 14.558 3.875 1.070 1.00 0.00 H new ATOM 0 HA ASP A 26 14.213 3.900 -1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.060 2.744 -0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.866 1.589 0.084 1.00 0.00 H new ATOM 370 N GLU A 27 12.312 1.833 -0.021 1.00 0.00 N ATOM 371 CA GLU A 27 11.036 1.128 -0.028 1.00 0.00 C ATOM 372 C GLU A 27 9.944 1.987 -0.659 1.00 0.00 C ATOM 373 O GLU A 27 9.336 1.602 -1.659 1.00 0.00 O ATOM 374 CB GLU A 27 10.635 0.740 1.397 1.00 0.00 C ATOM 375 CG GLU A 27 11.513 -0.342 2.003 1.00 0.00 C ATOM 376 CD GLU A 27 11.128 -1.734 1.540 1.00 0.00 C ATOM 377 OE1 GLU A 27 10.449 -1.844 0.497 1.00 0.00 O ATOM 378 OE2 GLU A 27 11.505 -2.711 2.219 1.00 0.00 O ATOM 0 H GLU A 27 12.893 1.646 0.797 1.00 0.00 H new ATOM 0 HA GLU A 27 11.153 0.223 -0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.675 1.626 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.600 0.397 1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.553 -0.150 1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.445 -0.293 3.090 1.00 0.00 H new ATOM 385 N LEU A 28 9.699 3.151 -0.068 1.00 0.00 N ATOM 386 CA LEU A 28 8.680 4.065 -0.572 1.00 0.00 C ATOM 387 C LEU A 28 9.288 5.085 -1.530 1.00 0.00 C ATOM 388 O LEU A 28 10.462 5.435 -1.414 1.00 0.00 O ATOM 389 CB LEU A 28 7.995 4.786 0.591 1.00 0.00 C ATOM 390 CG LEU A 28 7.126 5.987 0.216 1.00 0.00 C ATOM 391 CD1 LEU A 28 6.054 6.220 1.270 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.983 7.232 0.041 1.00 0.00 C ATOM 0 H LEU A 28 10.192 3.484 0.761 1.00 0.00 H new ATOM 0 HA LEU A 28 7.939 3.480 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.374 4.066 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.763 5.122 1.287 1.00 0.00 H new ATOM 0 HG LEU A 28 6.634 5.773 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.445 7.079 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.421 5.336 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.527 6.413 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.348 8.077 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.503 7.450 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.713 7.063 -0.751 1.00 0.00 H new ATOM 404 N GLN A 29 8.480 5.558 -2.473 1.00 0.00 N ATOM 405 CA GLN A 29 8.939 6.538 -3.450 1.00 0.00 C ATOM 406 C GLN A 29 7.984 7.725 -3.519 1.00 0.00 C ATOM 407 O GLN A 29 6.770 7.566 -3.397 1.00 0.00 O ATOM 408 CB GLN A 29 9.070 5.892 -4.830 1.00 0.00 C ATOM 409 CG GLN A 29 10.427 5.252 -5.077 1.00 0.00 C ATOM 410 CD GLN A 29 10.578 4.730 -6.492 1.00 0.00 C ATOM 411 OE1 GLN A 29 10.918 5.479 -7.409 1.00 0.00 O ATOM 412 NE2 GLN A 29 10.324 3.440 -6.678 1.00 0.00 N ATOM 0 H GLN A 29 7.505 5.279 -2.581 1.00 0.00 H new ATOM 0 HA GLN A 29 9.917 6.900 -3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.295 5.134 -4.942 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.890 6.648 -5.594 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.211 5.983 -4.878 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.571 4.431 -4.374 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.045 2.856 -5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.408 3.033 -7.609 1.00 0.00 H new ATOM 421 N VAL A 30 8.542 8.916 -3.717 1.00 0.00 N ATOM 422 CA VAL A 30 7.740 10.130 -3.803 1.00 0.00 C ATOM 423 C VAL A 30 7.958 10.839 -5.135 1.00 0.00 C ATOM 424 O VAL A 30 9.049 10.791 -5.704 1.00 0.00 O ATOM 425 CB VAL A 30 8.070 11.104 -2.656 1.00 0.00 C ATOM 426 CG1 VAL A 30 7.270 12.390 -2.800 1.00 0.00 C ATOM 427 CG2 VAL A 30 7.804 10.449 -1.309 1.00 0.00 C ATOM 0 H VAL A 30 9.546 9.065 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 30 6.696 9.826 -3.722 1.00 0.00 H new ATOM 0 HB VAL A 30 9.129 11.356 -2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.516 13.065 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.515 12.866 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.205 12.161 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.042 11.151 -0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.753 10.167 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.426 9.559 -1.208 1.00 0.00 H new ATOM 437 N ILE A 31 6.913 11.497 -5.627 1.00 0.00 N ATOM 438 CA ILE A 31 6.991 12.217 -6.892 1.00 0.00 C ATOM 439 C ILE A 31 6.541 13.665 -6.729 1.00 0.00 C ATOM 440 O ILE A 31 5.354 13.974 -6.835 1.00 0.00 O ATOM 441 CB ILE A 31 6.131 11.543 -7.978 1.00 0.00 C ATOM 442 CG1 ILE A 31 6.558 10.086 -8.166 1.00 0.00 C ATOM 443 CG2 ILE A 31 6.240 12.307 -9.289 1.00 0.00 C ATOM 444 CD1 ILE A 31 6.048 9.162 -7.083 1.00 0.00 C ATOM 0 H ILE A 31 6.003 11.546 -5.169 1.00 0.00 H new ATOM 0 HA ILE A 31 8.036 12.196 -7.203 1.00 0.00 H new ATOM 0 HB ILE A 31 5.089 11.557 -7.657 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.199 9.733 -9.133 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.647 10.035 -8.192 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.627 11.819 -10.047 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.892 13.330 -9.144 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.279 12.321 -9.617 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.389 8.146 -7.281 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.428 9.490 -6.116 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.958 9.183 -7.070 1.00 0.00 H new ATOM 569 N TRP A 40 -0.297 14.465 -5.437 1.00 0.00 N ATOM 570 CA TRP A 40 0.938 13.791 -5.055 1.00 0.00 C ATOM 571 C TRP A 40 0.789 12.277 -5.164 1.00 0.00 C ATOM 572 O TRP A 40 -0.291 11.734 -4.935 1.00 0.00 O ATOM 573 CB TRP A 40 1.332 14.175 -3.628 1.00 0.00 C ATOM 574 CG TRP A 40 1.887 15.563 -3.518 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.416 16.685 -4.137 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.019 15.974 -2.744 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.187 17.770 -3.794 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.177 17.360 -2.940 1.00 0.00 C ATOM 579 CE3 TRP A 40 3.914 15.308 -1.902 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.192 18.088 -2.326 1.00 0.00 C ATOM 581 CZ3 TRP A 40 4.922 16.031 -1.294 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.054 17.410 -1.508 1.00 0.00 C ATOM 0 HA TRP A 40 1.723 14.110 -5.740 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.458 14.088 -2.982 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.073 13.465 -3.260 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.563 16.716 -4.799 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.045 18.725 -4.122 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.819 14.246 -1.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.295 19.151 -2.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.620 15.525 -0.643 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.852 17.948 -1.018 1.00 0.00 H new ATOM 593 N GLU A 41 1.880 11.603 -5.516 1.00 0.00 N ATOM 594 CA GLU A 41 1.868 10.152 -5.656 1.00 0.00 C ATOM 595 C GLU A 41 2.940 9.512 -4.778 1.00 0.00 C ATOM 596 O GLU A 41 4.051 10.030 -4.660 1.00 0.00 O ATOM 597 CB GLU A 41 2.087 9.756 -7.117 1.00 0.00 C ATOM 598 CG GLU A 41 1.402 8.456 -7.505 1.00 0.00 C ATOM 599 CD GLU A 41 -0.036 8.662 -7.940 1.00 0.00 C ATOM 600 OE1 GLU A 41 -0.599 9.735 -7.639 1.00 0.00 O ATOM 601 OE2 GLU A 41 -0.598 7.750 -8.582 1.00 0.00 O ATOM 0 H GLU A 41 2.782 12.038 -5.709 1.00 0.00 H new ATOM 0 HA GLU A 41 0.893 9.790 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.720 10.556 -7.760 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.157 9.663 -7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.959 7.984 -8.315 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.427 7.770 -6.659 1.00 0.00 H new ATOM 608 N ILE A 42 2.598 8.384 -4.164 1.00 0.00 N ATOM 609 CA ILE A 42 3.530 7.673 -3.298 1.00 0.00 C ATOM 610 C ILE A 42 3.365 6.163 -3.435 1.00 0.00 C ATOM 611 O ILE A 42 2.273 5.628 -3.245 1.00 0.00 O ATOM 612 CB ILE A 42 3.339 8.067 -1.822 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.632 9.556 -1.627 1.00 0.00 C ATOM 614 CG2 ILE A 42 4.235 7.223 -0.928 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.839 10.186 -0.504 1.00 0.00 C ATOM 0 H ILE A 42 1.682 7.943 -4.250 1.00 0.00 H new ATOM 0 HA ILE A 42 4.534 7.957 -3.614 1.00 0.00 H new ATOM 0 HB ILE A 42 2.302 7.881 -1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.696 9.685 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.416 10.085 -2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.088 7.514 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.982 6.170 -1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.277 7.380 -1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.098 11.242 -0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.773 10.088 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.073 9.683 0.434 1.00 0.00 H new ATOM 627 N TYR A 43 4.457 5.482 -3.764 1.00 0.00 N ATOM 628 CA TYR A 43 4.434 4.033 -3.927 1.00 0.00 C ATOM 629 C TYR A 43 5.167 3.344 -2.780 1.00 0.00 C ATOM 630 O TYR A 43 5.996 3.954 -2.104 1.00 0.00 O ATOM 631 CB TYR A 43 5.067 3.639 -5.262 1.00 0.00 C ATOM 632 CG TYR A 43 4.564 4.451 -6.434 1.00 0.00 C ATOM 633 CD1 TYR A 43 3.233 4.390 -6.827 1.00 0.00 C ATOM 634 CD2 TYR A 43 5.420 5.279 -7.150 1.00 0.00 C ATOM 635 CE1 TYR A 43 2.768 5.129 -7.897 1.00 0.00 C ATOM 636 CE2 TYR A 43 4.965 6.023 -8.221 1.00 0.00 C ATOM 637 CZ TYR A 43 3.638 5.945 -8.591 1.00 0.00 C ATOM 638 OH TYR A 43 3.180 6.683 -9.658 1.00 0.00 O ATOM 0 H TYR A 43 5.369 5.910 -3.923 1.00 0.00 H new ATOM 0 HA TYR A 43 3.394 3.708 -3.916 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.149 3.753 -5.189 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.870 2.584 -5.451 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.549 3.753 -6.286 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.460 5.342 -6.864 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.730 5.069 -8.189 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.644 6.662 -8.766 1.00 0.00 H new ATOM 0 HH TYR A 43 2.224 6.512 -9.788 1.00 0.00 H new ATOM 648 N ILE A 44 4.857 2.070 -2.569 1.00 0.00 N ATOM 649 CA ILE A 44 5.487 1.297 -1.506 1.00 0.00 C ATOM 650 C ILE A 44 5.077 -0.170 -1.576 1.00 0.00 C ATOM 651 O ILE A 44 3.891 -0.499 -1.521 1.00 0.00 O ATOM 652 CB ILE A 44 5.127 1.853 -0.116 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.859 1.071 0.976 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.623 1.797 0.103 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.773 1.715 2.342 1.00 0.00 C ATOM 0 H ILE A 44 4.173 1.551 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 44 6.564 1.378 -1.653 1.00 0.00 H new ATOM 0 HB ILE A 44 5.444 2.895 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.444 0.065 1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.908 0.968 0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.384 2.193 1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.122 2.394 -0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.284 0.763 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.314 1.106 3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.215 2.711 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.728 1.793 2.642 1.00 0.00 H new ATOM 667 N THR A 45 6.066 -1.051 -1.697 1.00 0.00 N ATOM 668 CA THR A 45 5.808 -2.483 -1.773 1.00 0.00 C ATOM 669 C THR A 45 5.609 -3.081 -0.385 1.00 0.00 C ATOM 670 O THR A 45 6.534 -3.113 0.427 1.00 0.00 O ATOM 671 CB THR A 45 6.960 -3.224 -2.478 1.00 0.00 C ATOM 672 OG1 THR A 45 7.244 -2.603 -3.737 1.00 0.00 O ATOM 673 CG2 THR A 45 6.609 -4.688 -2.697 1.00 0.00 C ATOM 0 H THR A 45 7.053 -0.797 -1.744 1.00 0.00 H new ATOM 0 HA THR A 45 4.894 -2.609 -2.354 1.00 0.00 H new ATOM 0 HB THR A 45 7.842 -3.170 -1.839 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.978 -3.079 -4.178 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.438 -5.190 -3.196 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.422 -5.165 -1.735 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.715 -4.759 -3.317 1.00 0.00 H new ATOM 681 N LEU A 46 4.397 -3.555 -0.119 1.00 0.00 N ATOM 682 CA LEU A 46 4.076 -4.153 1.172 1.00 0.00 C ATOM 683 C LEU A 46 4.045 -5.675 1.074 1.00 0.00 C ATOM 684 O LEU A 46 3.536 -6.235 0.102 1.00 0.00 O ATOM 685 CB LEU A 46 2.728 -3.636 1.675 1.00 0.00 C ATOM 686 CG LEU A 46 2.568 -3.544 3.193 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.573 -2.563 3.777 1.00 0.00 C ATOM 688 CD2 LEU A 46 1.148 -3.135 3.557 1.00 0.00 C ATOM 0 H LEU A 46 3.620 -3.537 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 46 4.854 -3.868 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.560 -2.646 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.944 -4.286 1.286 1.00 0.00 H new ATOM 0 HG LEU A 46 2.761 -4.528 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.444 -2.511 4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.584 -2.899 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.412 -1.576 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.053 -3.075 4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.926 -2.162 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.446 -3.875 3.172 1.00 0.00 H new ATOM 700 N HIS A 47 4.590 -6.340 2.088 1.00 0.00 N ATOM 701 CA HIS A 47 4.622 -7.798 2.117 1.00 0.00 C ATOM 702 C HIS A 47 4.385 -8.318 3.532 1.00 0.00 C ATOM 703 O HIS A 47 4.640 -7.632 4.522 1.00 0.00 O ATOM 704 CB HIS A 47 5.964 -8.310 1.591 1.00 0.00 C ATOM 705 CG HIS A 47 7.143 -7.551 2.117 1.00 0.00 C ATOM 706 ND1 HIS A 47 7.642 -7.723 3.391 1.00 0.00 N ATOM 707 CD2 HIS A 47 7.924 -6.613 1.532 1.00 0.00 C ATOM 708 CE1 HIS A 47 8.677 -6.923 3.567 1.00 0.00 C ATOM 709 NE2 HIS A 47 8.870 -6.238 2.454 1.00 0.00 N ATOM 0 H HIS A 47 5.015 -5.893 2.900 1.00 0.00 H new ATOM 0 HA HIS A 47 3.823 -8.168 1.474 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.072 -9.362 1.857 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.963 -8.255 0.502 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.822 -6.231 0.527 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.266 -6.842 4.468 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.602 -5.544 2.304 1.00 0.00 H new ATOM 871 N VAL A 59 3.493 -13.832 -1.656 1.00 0.00 N ATOM 872 CA VAL A 59 2.461 -12.863 -2.003 1.00 0.00 C ATOM 873 C VAL A 59 2.951 -11.436 -1.783 1.00 0.00 C ATOM 874 O VAL A 59 3.625 -11.146 -0.794 1.00 0.00 O ATOM 875 CB VAL A 59 1.179 -13.087 -1.178 1.00 0.00 C ATOM 876 CG1 VAL A 59 0.783 -14.555 -1.196 1.00 0.00 C ATOM 877 CG2 VAL A 59 1.372 -12.595 0.248 1.00 0.00 C ATOM 0 HA VAL A 59 2.234 -13.008 -3.059 1.00 0.00 H new ATOM 0 HB VAL A 59 0.371 -12.512 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.124 -14.694 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.602 -14.870 -2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.587 -15.154 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.457 -12.761 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.193 -13.141 0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.605 -11.530 0.237 1.00 0.00 H new ATOM 887 N CYS A 60 2.608 -10.549 -2.710 1.00 0.00 N ATOM 888 CA CYS A 60 3.013 -9.151 -2.618 1.00 0.00 C ATOM 889 C CYS A 60 2.073 -8.258 -3.421 1.00 0.00 C ATOM 890 O CYS A 60 1.339 -8.732 -4.289 1.00 0.00 O ATOM 891 CB CYS A 60 4.448 -8.980 -3.118 1.00 0.00 C ATOM 892 SG CYS A 60 5.710 -9.272 -1.856 1.00 0.00 S ATOM 0 H CYS A 60 2.050 -10.773 -3.534 1.00 0.00 H new ATOM 0 HA CYS A 60 2.962 -8.853 -1.571 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.616 -9.665 -3.949 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.567 -7.969 -3.509 1.00 0.00 H new ATOM 0 HG CYS A 60 5.278 -10.157 -1.007 1.00 0.00 H new ATOM 898 N PHE A 61 2.098 -6.963 -3.124 1.00 0.00 N ATOM 899 CA PHE A 61 1.246 -6.003 -3.817 1.00 0.00 C ATOM 900 C PHE A 61 1.800 -4.588 -3.684 1.00 0.00 C ATOM 901 O PHE A 61 2.339 -4.215 -2.641 1.00 0.00 O ATOM 902 CB PHE A 61 -0.178 -6.059 -3.260 1.00 0.00 C ATOM 903 CG PHE A 61 -0.359 -5.269 -1.995 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.450 -3.887 -2.033 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.439 -5.908 -0.769 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.615 -3.158 -0.871 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.605 -5.184 0.397 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.694 -3.807 0.345 1.00 0.00 C ATOM 0 H PHE A 61 2.699 -6.554 -2.408 1.00 0.00 H new ATOM 0 HA PHE A 61 1.227 -6.269 -4.874 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.870 -5.685 -4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.445 -7.099 -3.071 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.391 -3.374 -2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.371 -6.985 -0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.682 -2.081 -0.914 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.665 -5.694 1.347 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.825 -3.239 1.254 1.00 0.00 H new ATOM 918 N THR A 62 1.665 -3.803 -4.748 1.00 0.00 N ATOM 919 CA THR A 62 2.154 -2.430 -4.752 1.00 0.00 C ATOM 920 C THR A 62 1.120 -1.477 -4.164 1.00 0.00 C ATOM 921 O THR A 62 0.055 -1.264 -4.746 1.00 0.00 O ATOM 922 CB THR A 62 2.512 -1.965 -6.177 1.00 0.00 C ATOM 923 OG1 THR A 62 3.665 -2.672 -6.647 1.00 0.00 O ATOM 924 CG2 THR A 62 2.782 -0.469 -6.206 1.00 0.00 C ATOM 0 H THR A 62 1.221 -4.095 -5.619 1.00 0.00 H new ATOM 0 HA THR A 62 3.053 -2.413 -4.136 1.00 0.00 H new ATOM 0 HB THR A 62 1.665 -2.178 -6.829 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.885 -2.372 -7.554 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.033 -0.164 -7.222 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.893 0.068 -5.875 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.614 -0.237 -5.542 1.00 0.00 H new ATOM 932 N LEU A 63 1.439 -0.904 -3.009 1.00 0.00 N ATOM 933 CA LEU A 63 0.538 0.028 -2.342 1.00 0.00 C ATOM 934 C LEU A 63 0.717 1.442 -2.885 1.00 0.00 C ATOM 935 O LEU A 63 1.729 2.094 -2.626 1.00 0.00 O ATOM 936 CB LEU A 63 0.784 0.015 -0.832 1.00 0.00 C ATOM 937 CG LEU A 63 -0.404 0.413 0.045 1.00 0.00 C ATOM 938 CD1 LEU A 63 -0.029 0.338 1.517 1.00 0.00 C ATOM 939 CD2 LEU A 63 -0.887 1.811 -0.314 1.00 0.00 C ATOM 0 H LEU A 63 2.316 -1.069 -2.515 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.485 -0.291 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.103 -0.987 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.613 0.688 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.218 -0.289 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.886 0.625 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.268 -0.681 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.800 1.017 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.733 2.078 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.079 2.526 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.196 1.832 -1.359 1.00 0.00 H new ATOM 951 N VAL A 64 -0.272 1.912 -3.638 1.00 0.00 N ATOM 952 CA VAL A 64 -0.226 3.250 -4.215 1.00 0.00 C ATOM 953 C VAL A 64 -1.203 4.186 -3.512 1.00 0.00 C ATOM 954 O VAL A 64 -2.404 3.918 -3.454 1.00 0.00 O ATOM 955 CB VAL A 64 -0.549 3.224 -5.720 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.229 4.567 -6.359 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.212 2.101 -6.409 1.00 0.00 C ATOM 0 H VAL A 64 -1.116 1.385 -3.863 1.00 0.00 H new ATOM 0 HA VAL A 64 0.790 3.619 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.616 3.037 -5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.464 4.529 -7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.824 5.347 -5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.830 4.789 -6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.028 2.097 -7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.283 2.255 -6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.073 1.145 -5.969 1.00 0.00 H new ATOM 967 N LEU A 65 -0.681 5.286 -2.980 1.00 0.00 N ATOM 968 CA LEU A 65 -1.507 6.263 -2.280 1.00 0.00 C ATOM 969 C LEU A 65 -1.578 7.573 -3.059 1.00 0.00 C ATOM 970 O LEU A 65 -0.582 8.285 -3.186 1.00 0.00 O ATOM 971 CB LEU A 65 -0.952 6.520 -0.878 1.00 0.00 C ATOM 972 CG LEU A 65 -0.980 5.331 0.083 1.00 0.00 C ATOM 973 CD1 LEU A 65 -0.166 5.635 1.331 1.00 0.00 C ATOM 974 CD2 LEU A 65 -2.414 4.978 0.452 1.00 0.00 C ATOM 0 H LEU A 65 0.310 5.523 -3.020 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.515 5.856 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.079 6.860 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.517 7.337 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.533 4.472 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.197 4.778 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.867 5.839 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.584 6.507 1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.415 4.130 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.887 5.834 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.968 4.717 -0.450 1.00 0.00 H new ATOM 986 N GLN A 66 -2.762 7.884 -3.577 1.00 0.00 N ATOM 987 CA GLN A 66 -2.962 9.109 -4.342 1.00 0.00 C ATOM 988 C GLN A 66 -3.477 10.232 -3.447 1.00 0.00 C ATOM 989 O GLN A 66 -4.659 10.276 -3.105 1.00 0.00 O ATOM 990 CB GLN A 66 -3.945 8.865 -5.488 1.00 0.00 C ATOM 991 CG GLN A 66 -3.298 8.262 -6.725 1.00 0.00 C ATOM 992 CD GLN A 66 -3.307 6.747 -6.709 1.00 0.00 C ATOM 993 OE1 GLN A 66 -3.396 6.126 -5.649 1.00 0.00 O ATOM 994 NE2 GLN A 66 -3.214 6.141 -7.887 1.00 0.00 N ATOM 0 H GLN A 66 -3.596 7.305 -3.481 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.999 9.410 -4.755 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.737 8.201 -5.142 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.417 9.810 -5.758 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.822 8.615 -7.613 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.269 8.615 -6.801 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.142 6.694 -8.741 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.215 5.122 -7.938 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.581 11.139 -3.069 1.00 0.00 N ATOM 1004 CA VAL A 67 -2.944 12.263 -2.214 1.00 0.00 C ATOM 1005 C VAL A 67 -3.468 13.433 -3.039 1.00 0.00 C ATOM 1006 O VAL A 67 -2.725 14.097 -3.762 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.745 12.738 -1.373 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.161 13.864 -0.438 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.151 11.577 -0.590 1.00 0.00 C ATOM 0 H VAL A 67 -1.598 11.117 -3.342 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.730 11.912 -1.546 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.980 13.122 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.301 14.187 0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.536 14.703 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.944 13.510 0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.305 11.930 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.908 11.162 0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.814 10.806 -1.283 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.779 13.695 -2.929 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.432 14.787 -3.656 1.00 0.00 C ATOM 1021 C PRO A 68 -5.016 16.159 -3.137 1.00 0.00 C ATOM 1022 O PRO A 68 -4.175 16.267 -2.245 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.921 14.546 -3.394 1.00 0.00 C ATOM 1024 CG PRO A 68 -6.964 13.795 -2.108 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.724 12.944 -2.085 1.00 0.00 C ATOM 0 HA PRO A 68 -5.165 14.790 -4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.467 15.486 -3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.377 13.974 -4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.985 14.477 -1.258 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.861 13.179 -2.045 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.343 12.816 -1.072 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.913 11.947 -2.483 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.609 17.205 -3.703 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.300 18.571 -3.296 1.00 0.00 C ATOM 1035 C ALA A 69 -5.949 18.904 -1.956 1.00 0.00 C ATOM 1036 O ALA A 69 -5.306 19.461 -1.067 1.00 0.00 O ATOM 1037 CB ALA A 69 -5.754 19.555 -4.363 1.00 0.00 C ATOM 0 H ALA A 69 -6.306 17.133 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.220 18.653 -3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.517 20.571 -4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.241 19.338 -5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.830 19.462 -4.509 1.00 0.00 H new ATOM 1043 N GLU A 70 -7.225 18.559 -1.820 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.960 18.824 -0.589 1.00 0.00 C ATOM 1045 C GLU A 70 -7.168 18.355 0.629 1.00 0.00 C ATOM 1046 O GLU A 70 -7.134 19.030 1.658 1.00 0.00 O ATOM 1047 CB GLU A 70 -9.323 18.130 -0.622 1.00 0.00 C ATOM 1048 CG GLU A 70 -10.396 18.930 -1.341 1.00 0.00 C ATOM 1049 CD GLU A 70 -9.987 19.324 -2.747 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -10.214 18.521 -3.677 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -9.440 20.433 -2.918 1.00 0.00 O ATOM 0 H GLU A 70 -7.771 18.096 -2.546 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.111 19.901 -0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.216 17.161 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.649 17.938 0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.313 18.343 -1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.620 19.829 -0.767 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.535 17.195 0.504 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.746 16.633 1.594 1.00 0.00 C ATOM 1060 C TYR A 71 -5.114 17.738 2.434 1.00 0.00 C ATOM 1061 O TYR A 71 -4.637 18.750 1.919 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.657 15.712 1.041 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.840 15.028 2.114 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -2.696 15.625 2.630 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -4.212 13.786 2.613 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -1.946 15.004 3.610 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.469 13.158 3.594 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.337 13.771 4.089 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.593 13.150 5.066 1.00 0.00 O ATOM 0 H TYR A 71 -6.552 16.625 -0.341 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.414 16.053 2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.120 14.954 0.410 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.991 16.293 0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.388 16.591 2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.098 13.303 2.227 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.059 15.481 3.999 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.773 12.193 3.971 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.924 13.417 5.949 1.00 0.00 H new ATOM 1079 N PRO A 72 -5.109 17.541 3.761 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.675 16.342 4.385 1.00 0.00 C ATOM 1081 C PRO A 72 -7.196 16.298 4.286 1.00 0.00 C ATOM 1082 O PRO A 72 -7.799 15.225 4.312 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.238 16.463 5.847 1.00 0.00 C ATOM 1084 CG PRO A 72 -5.043 17.924 6.064 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.552 18.475 4.754 1.00 0.00 C ATOM 0 HA PRO A 72 -5.333 15.429 3.897 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.994 16.060 6.521 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.318 15.909 6.032 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.976 18.402 6.363 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.321 18.107 6.860 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.904 19.493 4.589 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.463 18.503 4.713 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.810 17.471 4.170 1.00 0.00 N ATOM 1094 CA HIS A 73 -9.262 17.566 4.065 1.00 0.00 C ATOM 1095 C HIS A 73 -9.839 16.333 3.376 1.00 0.00 C ATOM 1096 O HIS A 73 -10.812 15.746 3.847 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.657 18.827 3.295 1.00 0.00 C ATOM 1098 CG HIS A 73 -9.224 20.096 3.962 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -10.016 20.785 4.857 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -8.072 20.801 3.861 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -9.371 21.859 5.276 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -8.189 21.891 4.687 1.00 0.00 N ATOM 0 H HIS A 73 -7.326 18.368 4.146 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.672 17.622 5.073 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -9.222 18.784 2.296 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.740 18.843 3.171 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.220 20.552 3.245 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.746 22.587 5.980 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.478 22.610 4.824 1.00 0.00 H new ATOM 1111 N GLU A 74 -9.232 15.948 2.258 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.687 14.786 1.504 1.00 0.00 C ATOM 1113 C GLU A 74 -8.766 13.592 1.736 1.00 0.00 C ATOM 1114 O GLU A 74 -7.559 13.750 1.915 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.751 15.112 0.010 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.220 13.949 -0.847 1.00 0.00 C ATOM 1117 CD GLU A 74 -10.089 14.229 -2.332 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -10.253 15.401 -2.731 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -9.824 13.276 -3.095 1.00 0.00 O ATOM 0 H GLU A 74 -8.425 16.423 1.855 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.686 14.526 1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.423 15.957 -0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.763 15.426 -0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.640 13.061 -0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.261 13.727 -0.613 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.346 12.395 1.733 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.579 11.173 1.943 1.00 0.00 C ATOM 1128 C VAL A 75 -7.933 10.701 0.646 1.00 0.00 C ATOM 1129 O VAL A 75 -8.526 10.765 -0.431 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.464 10.044 2.504 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -10.026 10.432 3.863 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.584 9.712 1.530 1.00 0.00 C ATOM 0 H VAL A 75 -10.345 12.246 1.587 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.801 11.408 2.669 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.849 9.153 2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.649 9.622 4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.206 10.616 4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.627 11.336 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.200 8.912 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.199 10.597 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.157 9.388 0.581 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.687 10.213 0.748 1.00 0.00 N ATOM 1143 CA PRO A 76 -5.933 9.719 -0.407 1.00 0.00 C ATOM 1144 C PRO A 76 -6.503 8.415 -0.956 1.00 0.00 C ATOM 1145 O PRO A 76 -6.719 7.460 -0.211 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.528 9.493 0.157 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.737 9.263 1.614 1.00 0.00 C ATOM 1148 CD PRO A 76 -5.920 10.107 2.001 1.00 0.00 C ATOM 0 HA PRO A 76 -5.964 10.417 -1.243 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.046 8.636 -0.314 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.887 10.357 -0.019 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.925 8.209 1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.852 9.546 2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.506 9.639 2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.612 11.086 2.368 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.742 8.384 -2.263 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.287 7.197 -2.911 1.00 0.00 C ATOM 1158 C GLN A 77 -6.333 6.015 -2.774 1.00 0.00 C ATOM 1159 O GLN A 77 -5.194 6.068 -3.240 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.561 7.477 -4.390 1.00 0.00 C ATOM 1161 CG GLN A 77 -8.699 8.458 -4.623 1.00 0.00 C ATOM 1162 CD GLN A 77 -8.244 9.903 -4.576 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -7.665 10.415 -5.534 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -8.503 10.570 -3.457 1.00 0.00 N ATOM 0 H GLN A 77 -6.567 9.166 -2.893 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.225 6.943 -2.417 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.654 7.869 -4.851 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.793 6.538 -4.892 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.155 8.256 -5.592 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.470 8.299 -3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.986 10.107 -2.687 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.219 11.546 -3.368 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.804 4.952 -2.132 1.00 0.00 N ATOM 1174 CA ILE A 78 -5.993 3.758 -1.934 1.00 0.00 C ATOM 1175 C ILE A 78 -6.152 2.786 -3.099 1.00 0.00 C ATOM 1176 O ILE A 78 -7.238 2.259 -3.337 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.362 3.036 -0.625 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -6.274 4.003 0.558 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.451 1.838 -0.405 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -7.570 4.730 0.842 1.00 0.00 C ATOM 0 H ILE A 78 -7.744 4.893 -1.740 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.956 4.088 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.388 2.677 -0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.975 3.449 1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.492 4.736 0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.725 1.339 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.559 1.142 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.416 2.174 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.434 5.398 1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.860 5.311 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.351 4.005 1.071 1.00 0.00 H new ATOM 1192 N SER A 79 -5.060 2.551 -3.820 1.00 0.00 N ATOM 1193 CA SER A 79 -5.078 1.644 -4.961 1.00 0.00 C ATOM 1194 C SER A 79 -3.953 0.619 -4.859 1.00 0.00 C ATOM 1195 O SER A 79 -2.986 0.814 -4.121 1.00 0.00 O ATOM 1196 CB SER A 79 -4.950 2.431 -6.267 1.00 0.00 C ATOM 1197 OG SER A 79 -5.933 3.448 -6.349 1.00 0.00 O ATOM 0 H SER A 79 -4.152 2.976 -3.634 1.00 0.00 H new ATOM 0 HA SER A 79 -6.030 1.113 -4.957 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.957 2.875 -6.331 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.052 1.753 -7.115 1.00 0.00 H new ATOM 0 HG SER A 79 -5.828 3.937 -7.192 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.086 -0.473 -5.604 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.080 -1.528 -5.598 1.00 0.00 C ATOM 1205 C ILE A 80 -2.712 -1.944 -7.018 1.00 0.00 C ATOM 1206 O ILE A 80 -3.581 -2.086 -7.879 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.568 -2.766 -4.822 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -3.868 -2.397 -3.368 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.529 -3.876 -4.889 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.501 -3.522 -2.578 1.00 0.00 C ATOM 0 H ILE A 80 -4.880 -0.650 -6.219 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.199 -1.122 -5.101 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.487 -3.127 -5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.941 -2.097 -2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.532 -1.533 -3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.888 -4.744 -4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.359 -4.153 -5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.595 -3.527 -4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.686 -3.190 -1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.445 -3.807 -3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.829 -4.380 -2.565 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.419 -2.141 -7.255 1.00 0.00 N ATOM 1223 CA ARG A 81 -0.936 -2.542 -8.571 1.00 0.00 C ATOM 1224 C ARG A 81 -0.251 -3.904 -8.506 1.00 0.00 C ATOM 1225 O ARG A 81 0.231 -4.318 -7.453 1.00 0.00 O ATOM 1226 CB ARG A 81 0.036 -1.496 -9.121 1.00 0.00 C ATOM 1227 CG ARG A 81 -0.442 -0.065 -8.939 1.00 0.00 C ATOM 1228 CD ARG A 81 -1.253 0.408 -10.135 1.00 0.00 C ATOM 1229 NE ARG A 81 -0.422 0.593 -11.322 1.00 0.00 N ATOM 1230 CZ ARG A 81 0.262 1.703 -11.574 1.00 0.00 C ATOM 1231 NH1 ARG A 81 0.215 2.721 -10.727 1.00 0.00 N ATOM 1232 NH2 ARG A 81 0.996 1.795 -12.675 1.00 0.00 N ATOM 0 H ARG A 81 -0.687 -2.029 -6.553 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.794 -2.617 -9.239 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.001 -1.613 -8.627 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.197 -1.684 -10.183 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.049 0.005 -8.036 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.417 0.591 -8.798 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.037 -0.318 -10.351 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.748 1.348 -9.889 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.364 -0.172 -11.994 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.348 2.653 -9.879 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.741 3.572 -10.923 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.035 1.013 -13.329 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.521 2.648 -12.868 1.00 0.00 H new ATOM 1246 N ASN A 82 -0.214 -4.596 -9.641 1.00 0.00 N ATOM 1247 CA ASN A 82 0.410 -5.912 -9.713 1.00 0.00 C ATOM 1248 C ASN A 82 0.113 -6.725 -8.456 1.00 0.00 C ATOM 1249 O ASN A 82 1.015 -7.213 -7.775 1.00 0.00 O ATOM 1250 CB ASN A 82 1.923 -5.773 -9.898 1.00 0.00 C ATOM 1251 CG ASN A 82 2.293 -5.273 -11.281 1.00 0.00 C ATOM 1252 OD1 ASN A 82 2.885 -6.001 -12.078 1.00 0.00 O ATOM 1253 ND2 ASN A 82 1.943 -4.026 -11.572 1.00 0.00 N ATOM 0 H ASN A 82 -0.609 -4.267 -10.522 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.008 -6.438 -10.572 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.316 -5.086 -9.149 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.398 -6.739 -9.725 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.164 -3.635 -12.488 1.00 0.00 H new ATOM 0 HD22 ASN A 82 1.453 -3.459 -10.880 1.00 0.00 H new ATOM 1260 N PRO A 83 -1.182 -6.875 -8.142 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.629 -7.630 -6.967 1.00 0.00 C ATOM 1262 C PRO A 83 -1.390 -9.128 -7.115 1.00 0.00 C ATOM 1263 O PRO A 83 -2.245 -9.856 -7.619 1.00 0.00 O ATOM 1264 CB PRO A 83 -3.129 -7.331 -6.903 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.509 -6.999 -8.305 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.310 -6.321 -8.909 1.00 0.00 C ATOM 0 HA PRO A 83 -1.085 -7.344 -6.067 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.689 -8.191 -6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.339 -6.501 -6.229 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.770 -7.899 -8.862 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.381 -6.345 -8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.218 -6.540 -9.973 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.369 -5.237 -8.810 1.00 0.00 H new ATOM 1274 N ARG A 84 -0.223 -9.583 -6.671 1.00 0.00 N ATOM 1275 CA ARG A 84 0.129 -10.995 -6.755 1.00 0.00 C ATOM 1276 C ARG A 84 -0.025 -11.676 -5.398 1.00 0.00 C ATOM 1277 O ARG A 84 0.031 -11.024 -4.356 1.00 0.00 O ATOM 1278 CB ARG A 84 1.564 -11.157 -7.258 1.00 0.00 C ATOM 1279 CG ARG A 84 1.674 -11.230 -8.773 1.00 0.00 C ATOM 1280 CD ARG A 84 1.466 -12.648 -9.278 1.00 0.00 C ATOM 1281 NE ARG A 84 1.844 -12.790 -10.682 1.00 0.00 N ATOM 1282 CZ ARG A 84 3.093 -12.990 -11.090 1.00 0.00 C ATOM 1283 NH1 ARG A 84 4.078 -13.070 -10.206 1.00 0.00 N ATOM 1284 NH2 ARG A 84 3.358 -13.109 -12.384 1.00 0.00 N ATOM 0 H ARG A 84 0.495 -8.994 -6.249 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.552 -11.471 -7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.163 -10.320 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.991 -12.063 -6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.934 -10.569 -9.225 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.655 -10.871 -9.085 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.054 -13.338 -8.673 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.420 -12.927 -9.154 1.00 0.00 H new ATOM 0 HE ARG A 84 1.110 -12.733 -11.387 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.878 -12.978 -9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.036 -13.224 -10.522 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.603 -13.047 -13.067 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.317 -13.262 -12.696 1.00 0.00 H new ATOM 1298 N GLY A 85 -0.220 -12.991 -5.419 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.380 -13.737 -4.185 1.00 0.00 C ATOM 1300 C GLY A 85 -1.797 -13.678 -3.651 1.00 0.00 C ATOM 1301 O GLY A 85 -2.351 -14.692 -3.224 1.00 0.00 O ATOM 0 H GLY A 85 -0.270 -13.553 -6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.102 -14.777 -4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.305 -13.342 -3.434 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.386 -12.487 -3.672 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.748 -12.299 -3.184 1.00 0.00 C ATOM 1307 C LEU A 86 -4.759 -12.470 -4.313 1.00 0.00 C ATOM 1308 O LEU A 86 -4.402 -12.434 -5.490 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.898 -10.912 -2.555 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.894 -10.561 -1.456 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.634 -9.063 -1.430 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -3.396 -11.042 -0.102 1.00 0.00 C ATOM 0 H LEU A 86 -1.942 -11.638 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.945 -13.058 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.817 -10.166 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.903 -10.830 -2.141 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.954 -11.068 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.917 -8.832 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.230 -8.747 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.568 -8.535 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.669 -10.784 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.349 -10.564 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.530 -12.123 -0.127 1.00 0.00 H new ATOM 1324 N SER A 87 -6.023 -12.653 -3.946 1.00 0.00 N ATOM 1325 CA SER A 87 -7.087 -12.831 -4.927 1.00 0.00 C ATOM 1326 C SER A 87 -8.002 -11.611 -4.963 1.00 0.00 C ATOM 1327 O SER A 87 -8.106 -10.870 -3.986 1.00 0.00 O ATOM 1328 CB SER A 87 -7.901 -14.085 -4.607 1.00 0.00 C ATOM 1329 OG SER A 87 -8.591 -14.553 -5.753 1.00 0.00 O ATOM 0 H SER A 87 -6.336 -12.682 -2.976 1.00 0.00 H new ATOM 0 HA SER A 87 -6.627 -12.947 -5.908 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.239 -14.866 -4.233 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.615 -13.866 -3.813 1.00 0.00 H new ATOM 0 HG SER A 87 -9.102 -15.356 -5.522 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.665 -11.410 -6.097 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.574 -10.282 -6.262 1.00 0.00 C ATOM 1337 C ASP A 88 -10.293 -9.968 -4.954 1.00 0.00 C ATOM 1338 O ASP A 88 -10.336 -8.817 -4.520 1.00 0.00 O ATOM 1339 CB ASP A 88 -10.595 -10.578 -7.362 1.00 0.00 C ATOM 1340 CG ASP A 88 -9.939 -10.990 -8.665 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -9.043 -10.259 -9.136 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -10.321 -12.045 -9.213 1.00 0.00 O ATOM 0 H ASP A 88 -8.590 -12.014 -6.916 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.985 -9.411 -6.550 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.264 -11.371 -7.029 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.209 -9.693 -7.531 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.857 -10.998 -4.332 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.576 -10.831 -3.075 1.00 0.00 C ATOM 1349 C GLU A 89 -10.695 -10.150 -2.031 1.00 0.00 C ATOM 1350 O GLU A 89 -11.055 -9.107 -1.486 1.00 0.00 O ATOM 1351 CB GLU A 89 -12.053 -12.187 -2.549 1.00 0.00 C ATOM 1352 CG GLU A 89 -13.176 -12.796 -3.370 1.00 0.00 C ATOM 1353 CD GLU A 89 -12.708 -13.289 -4.726 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -12.024 -14.333 -4.774 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -13.026 -12.631 -5.738 1.00 0.00 O ATOM 0 H GLU A 89 -10.830 -11.957 -4.678 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.443 -10.198 -3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.210 -12.878 -2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.389 -12.070 -1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.615 -13.627 -2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.963 -12.054 -3.509 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.540 -10.749 -1.758 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.609 -10.201 -0.779 1.00 0.00 C ATOM 1364 C GLN A 90 -8.224 -8.769 -1.136 1.00 0.00 C ATOM 1365 O GLN A 90 -8.396 -7.851 -0.333 1.00 0.00 O ATOM 1366 CB GLN A 90 -7.355 -11.072 -0.693 1.00 0.00 C ATOM 1367 CG GLN A 90 -7.569 -12.374 0.062 1.00 0.00 C ATOM 1368 CD GLN A 90 -6.323 -13.236 0.105 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -5.570 -13.308 -0.867 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -6.098 -13.897 1.234 1.00 0.00 N ATOM 0 H GLN A 90 -9.227 -11.613 -2.201 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.105 -10.193 0.192 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.011 -11.299 -1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.562 -10.505 -0.206 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.887 -12.151 1.080 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.377 -12.934 -0.409 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.748 -13.809 2.015 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.275 -14.493 1.321 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.702 -8.585 -2.344 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.294 -7.265 -2.807 1.00 0.00 C ATOM 1381 C ILE A 91 -8.322 -6.206 -2.424 1.00 0.00 C ATOM 1382 O ILE A 91 -7.971 -5.131 -1.938 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.092 -7.241 -4.333 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -6.009 -8.241 -4.742 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -6.727 -5.838 -4.797 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -6.072 -8.637 -6.201 1.00 0.00 C ATOM 0 H ILE A 91 -7.552 -9.334 -3.020 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.345 -7.039 -2.320 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.027 -7.530 -4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.030 -7.810 -4.533 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.101 -9.136 -4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.587 -5.837 -5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.529 -5.148 -4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.803 -5.523 -4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.275 -9.348 -6.420 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.037 -9.098 -6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.949 -7.751 -6.824 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.595 -6.518 -2.646 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.676 -5.594 -2.323 1.00 0.00 C ATOM 1400 C HIS A 92 -10.661 -5.238 -0.839 1.00 0.00 C ATOM 1401 O HIS A 92 -10.671 -4.063 -0.471 1.00 0.00 O ATOM 1402 CB HIS A 92 -12.027 -6.204 -2.699 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.189 -5.559 -2.008 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -14.339 -6.243 -1.673 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -13.373 -4.286 -1.586 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -15.181 -5.417 -1.077 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -14.619 -4.224 -1.012 1.00 0.00 N ATOM 0 H HIS A 92 -9.903 -7.403 -3.048 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.525 -4.681 -2.900 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -12.165 -6.123 -3.777 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.016 -7.267 -2.458 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.671 -3.471 -1.683 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -16.162 -5.674 -0.706 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -15.042 -3.391 -0.602 1.00 0.00 H new ATOM 1416 N THR A 93 -10.638 -6.261 0.010 1.00 0.00 N ATOM 1417 CA THR A 93 -10.624 -6.056 1.453 1.00 0.00 C ATOM 1418 C THR A 93 -9.581 -5.018 1.851 1.00 0.00 C ATOM 1419 O THR A 93 -9.904 -4.009 2.478 1.00 0.00 O ATOM 1420 CB THR A 93 -10.336 -7.370 2.203 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.224 -8.398 1.751 1.00 0.00 O ATOM 1422 CG2 THR A 93 -10.494 -7.181 3.705 1.00 0.00 C ATOM 0 H THR A 93 -10.629 -7.240 -0.277 1.00 0.00 H new ATOM 0 HA THR A 93 -11.615 -5.696 1.731 1.00 0.00 H new ATOM 0 HB THR A 93 -9.307 -7.663 1.995 1.00 0.00 H new ATOM 0 HG1 THR A 93 -11.033 -9.230 2.232 1.00 0.00 H new ATOM 0 HG21 THR A 93 -10.286 -8.122 4.214 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.796 -6.419 4.051 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.514 -6.866 3.927 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.330 -5.272 1.482 1.00 0.00 N ATOM 1431 CA ILE A 94 -7.240 -4.357 1.799 1.00 0.00 C ATOM 1432 C ILE A 94 -7.625 -2.915 1.488 1.00 0.00 C ATOM 1433 O ILE A 94 -7.242 -1.990 2.206 1.00 0.00 O ATOM 1434 CB ILE A 94 -5.961 -4.714 1.020 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.530 -6.149 1.334 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -4.846 -3.735 1.357 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.551 -6.718 0.332 1.00 0.00 C ATOM 0 H ILE A 94 -8.046 -6.103 0.964 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.045 -4.456 2.867 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.171 -4.643 -0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.079 -6.176 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.414 -6.786 1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.948 -4.000 0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.155 -2.725 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.635 -3.778 2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.289 -7.737 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.006 -6.724 -0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.651 -6.104 0.314 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.387 -2.729 0.416 1.00 0.00 N ATOM 1450 CA LEU A 95 -8.826 -1.399 0.010 1.00 0.00 C ATOM 1451 C LEU A 95 -9.858 -0.845 0.987 1.00 0.00 C ATOM 1452 O LEU A 95 -9.579 0.096 1.730 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.416 -1.443 -1.401 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.488 -1.962 -2.500 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.227 -2.048 -3.826 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.261 -1.071 -2.627 1.00 0.00 C ATOM 0 H LEU A 95 -8.714 -3.483 -0.188 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.958 -0.740 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.308 -2.069 -1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.738 -0.437 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.157 -2.964 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.551 -2.419 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.073 -2.728 -3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.588 -1.058 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.612 -1.456 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.572 -0.057 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.719 -1.062 -1.682 1.00 0.00 H new ATOM 1468 N GLN A 96 -11.048 -1.435 0.981 1.00 0.00 N ATOM 1469 CA GLN A 96 -12.121 -1.001 1.869 1.00 0.00 C ATOM 1470 C GLN A 96 -11.585 -0.704 3.265 1.00 0.00 C ATOM 1471 O GLN A 96 -11.942 0.303 3.877 1.00 0.00 O ATOM 1472 CB GLN A 96 -13.212 -2.070 1.945 1.00 0.00 C ATOM 1473 CG GLN A 96 -12.690 -3.447 2.322 1.00 0.00 C ATOM 1474 CD GLN A 96 -13.779 -4.501 2.333 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -14.534 -4.620 3.298 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -13.867 -5.274 1.257 1.00 0.00 N ATOM 0 H GLN A 96 -11.294 -2.215 0.371 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.548 -0.085 1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -13.960 -1.762 2.675 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.715 -2.133 0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.912 -3.742 1.618 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -12.227 -3.398 3.307 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -13.221 -5.141 0.479 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -14.581 -6.001 1.208 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.726 -1.587 3.764 1.00 0.00 N ATOM 1486 CA VAL A 97 -10.140 -1.419 5.089 1.00 0.00 C ATOM 1487 C VAL A 97 -9.300 -0.148 5.161 1.00 0.00 C ATOM 1488 O VAL A 97 -9.529 0.713 6.012 1.00 0.00 O ATOM 1489 CB VAL A 97 -9.260 -2.624 5.470 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -8.332 -2.265 6.621 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -10.126 -3.823 5.828 1.00 0.00 C ATOM 0 H VAL A 97 -10.420 -2.426 3.271 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.968 -1.345 5.794 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.647 -2.891 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.718 -3.129 6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.688 -1.437 6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.924 -1.972 7.488 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.488 -4.666 6.095 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.766 -3.570 6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.745 -4.093 4.973 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.328 -0.036 4.263 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.453 1.131 4.224 1.00 0.00 C ATOM 1503 C LEU A 98 -8.265 2.417 4.109 1.00 0.00 C ATOM 1504 O LEU A 98 -7.998 3.396 4.804 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.479 1.023 3.050 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.301 0.066 3.241 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.552 -0.127 1.931 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.363 0.584 4.322 1.00 0.00 C ATOM 0 H LEU A 98 -8.126 -0.739 3.552 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.888 1.162 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.037 0.709 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.084 2.017 2.839 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.691 -0.901 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.717 -0.811 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.228 -0.543 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.174 0.834 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.531 -0.109 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.980 1.563 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.905 0.670 5.264 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.261 2.405 3.227 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.098 3.575 3.039 1.00 0.00 C ATOM 1522 C GLY A 99 -10.576 4.164 4.352 1.00 0.00 C ATOM 1523 O GLY A 99 -10.431 5.363 4.592 1.00 0.00 O ATOM 0 H GLY A 99 -9.502 1.606 2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.541 4.332 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.961 3.306 2.429 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.148 3.319 5.204 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.650 3.763 6.499 1.00 0.00 C ATOM 1529 C HIS A 100 -10.560 4.484 7.286 1.00 0.00 C ATOM 1530 O HIS A 100 -10.731 5.633 7.695 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.172 2.572 7.303 1.00 0.00 C ATOM 1532 CG HIS A 100 -12.488 2.904 8.729 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -13.145 4.056 9.106 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -12.235 2.226 9.873 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -13.281 4.073 10.420 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -12.737 2.973 10.910 1.00 0.00 N ATOM 0 H HIS A 100 -11.275 2.324 5.021 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.469 4.461 6.324 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.070 2.184 6.821 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -11.429 1.775 7.280 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.732 1.274 9.955 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -13.756 4.853 10.996 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -12.697 2.720 11.897 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.438 3.802 7.496 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.320 4.377 8.234 1.00 0.00 C ATOM 1547 C VAL A 101 -8.039 5.805 7.780 1.00 0.00 C ATOM 1548 O VAL A 101 -7.831 6.698 8.600 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.042 3.534 8.063 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -5.883 4.161 8.823 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.282 2.104 8.523 1.00 0.00 C ATOM 0 H VAL A 101 -9.280 2.850 7.165 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.604 4.383 9.286 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.781 3.512 7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.989 3.552 8.691 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.698 5.165 8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.131 4.216 9.883 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.369 1.523 8.395 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.568 2.103 9.575 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.081 1.660 7.929 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.034 6.013 6.467 1.00 0.00 N ATOM 1562 CA ALA A 102 -7.781 7.333 5.903 1.00 0.00 C ATOM 1563 C ALA A 102 -8.621 8.397 6.600 1.00 0.00 C ATOM 1564 O ALA A 102 -8.091 9.377 7.124 1.00 0.00 O ATOM 1565 CB ALA A 102 -8.062 7.331 4.408 1.00 0.00 C ATOM 0 H ALA A 102 -8.202 5.284 5.774 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.730 7.574 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.869 8.323 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.415 6.604 3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.104 7.064 4.234 1.00 0.00 H new ATOM 1571 N LYS A 103 -9.935 8.200 6.602 1.00 0.00 N ATOM 1572 CA LYS A 103 -10.850 9.143 7.234 1.00 0.00 C ATOM 1573 C LYS A 103 -10.610 9.207 8.739 1.00 0.00 C ATOM 1574 O LYS A 103 -10.681 10.277 9.343 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.301 8.743 6.955 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.659 8.744 5.479 1.00 0.00 C ATOM 1577 CD LYS A 103 -14.140 8.482 5.264 1.00 0.00 C ATOM 1578 CE LYS A 103 -14.462 8.277 3.792 1.00 0.00 C ATOM 1579 NZ LYS A 103 -14.473 9.564 3.043 1.00 0.00 N ATOM 0 H LYS A 103 -10.391 7.395 6.172 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.664 10.130 6.811 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.480 7.748 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.966 9.428 7.482 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.391 9.705 5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.075 7.983 4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.440 7.600 5.829 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.719 9.321 5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -13.726 7.605 3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.434 7.793 3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -14.696 9.382 2.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.192 10.196 3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -13.538 10.014 3.112 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.324 8.056 9.338 1.00 0.00 N ATOM 1594 CA ALA A 104 -10.070 7.983 10.772 1.00 0.00 C ATOM 1595 C ALA A 104 -8.934 8.917 11.176 1.00 0.00 C ATOM 1596 O ALA A 104 -8.867 9.370 12.318 1.00 0.00 O ATOM 1597 CB ALA A 104 -9.749 6.552 11.179 1.00 0.00 C ATOM 0 H ALA A 104 -10.262 7.161 8.853 1.00 0.00 H new ATOM 0 HA ALA A 104 -10.972 8.304 11.293 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.562 6.512 12.252 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.592 5.906 10.934 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.863 6.211 10.643 1.00 0.00 H new ATOM 1603 N GLY A 105 -8.042 9.201 10.231 1.00 0.00 N ATOM 1604 CA GLY A 105 -6.921 10.079 10.510 1.00 0.00 C ATOM 1605 C GLY A 105 -6.921 11.315 9.633 1.00 0.00 C ATOM 1606 O GLY A 105 -5.886 11.699 9.087 1.00 0.00 O ATOM 0 H GLY A 105 -8.076 8.839 9.278 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.951 10.380 11.557 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.990 9.532 10.362 1.00 0.00 H new ATOM 1610 N LEU A 106 -8.085 11.941 9.496 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.217 13.141 8.677 1.00 0.00 C ATOM 1612 C LEU A 106 -7.876 14.390 9.483 1.00 0.00 C ATOM 1613 O LEU A 106 -8.091 14.438 10.694 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.638 13.251 8.122 1.00 0.00 C ATOM 1615 CG LEU A 106 -9.864 12.652 6.733 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.351 12.504 6.451 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.200 13.511 5.667 1.00 0.00 C ATOM 0 H LEU A 106 -8.951 11.637 9.942 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.515 13.063 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.318 12.764 8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.914 14.305 8.091 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.410 11.661 6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.492 12.076 5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.799 11.847 7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.829 13.483 6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.371 13.069 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.624 14.515 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.128 13.565 5.859 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.344 15.401 8.803 1.00 0.00 N ATOM 1630 CA GLY A 107 -6.984 16.638 9.471 1.00 0.00 C ATOM 1631 C GLY A 107 -5.497 16.734 9.751 1.00 0.00 C ATOM 1632 O GLY A 107 -4.929 17.827 9.762 1.00 0.00 O ATOM 0 H GLY A 107 -7.156 15.385 7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.290 17.483 8.854 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.533 16.714 10.410 1.00 0.00 H new ATOM 1636 N THR A 108 -4.864 15.588 9.979 1.00 0.00 N ATOM 1637 CA THR A 108 -3.435 15.548 10.263 1.00 0.00 C ATOM 1638 C THR A 108 -2.762 14.392 9.532 1.00 0.00 C ATOM 1639 O THR A 108 -3.428 13.568 8.906 1.00 0.00 O ATOM 1640 CB THR A 108 -3.166 15.412 11.773 1.00 0.00 C ATOM 1641 OG1 THR A 108 -3.726 14.189 12.263 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.757 16.588 12.536 1.00 0.00 C ATOM 0 H THR A 108 -5.318 14.675 9.973 1.00 0.00 H new ATOM 0 HA THR A 108 -3.016 16.491 9.911 1.00 0.00 H new ATOM 0 HB THR A 108 -2.087 15.404 11.928 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.549 14.110 13.224 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.554 16.470 13.600 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.306 17.515 12.182 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.834 16.623 12.373 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.436 14.336 9.617 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.673 13.278 8.966 1.00 0.00 C ATOM 1652 C ALA A 109 -1.362 11.927 9.125 1.00 0.00 C ATOM 1653 O ALA A 109 -1.722 11.530 10.233 1.00 0.00 O ATOM 1654 CB ALA A 109 0.739 13.223 9.529 1.00 0.00 C ATOM 0 H ALA A 109 -0.869 15.011 10.130 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.619 13.505 7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.297 12.429 9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.237 14.178 9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.696 13.023 10.600 1.00 0.00 H new ATOM 1660 N MET A 110 -1.542 11.225 8.011 1.00 0.00 N ATOM 1661 CA MET A 110 -2.187 9.917 8.028 1.00 0.00 C ATOM 1662 C MET A 110 -1.386 8.905 7.215 1.00 0.00 C ATOM 1663 O MET A 110 -1.357 7.717 7.539 1.00 0.00 O ATOM 1664 CB MET A 110 -3.611 10.020 7.477 1.00 0.00 C ATOM 1665 CG MET A 110 -3.707 10.821 6.188 1.00 0.00 C ATOM 1666 SD MET A 110 -5.270 10.565 5.327 1.00 0.00 S ATOM 1667 CE MET A 110 -6.196 11.998 5.871 1.00 0.00 C ATOM 0 H MET A 110 -1.251 11.540 7.086 1.00 0.00 H new ATOM 0 HA MET A 110 -2.229 9.573 9.062 1.00 0.00 H new ATOM 0 HB2 MET A 110 -3.997 9.016 7.301 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.251 10.480 8.230 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.590 11.881 6.414 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.884 10.543 5.530 1.00 0.00 H new ATOM 0 HE1 MET A 110 -7.180 11.684 6.220 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.662 12.489 6.684 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.311 12.694 5.040 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.738 9.382 6.158 1.00 0.00 N ATOM 1678 CA LEU A 111 0.064 8.519 5.298 1.00 0.00 C ATOM 1679 C LEU A 111 0.773 7.443 6.115 1.00 0.00 C ATOM 1680 O LEU A 111 0.867 6.290 5.694 1.00 0.00 O ATOM 1681 CB LEU A 111 1.090 9.347 4.524 1.00 0.00 C ATOM 1682 CG LEU A 111 0.529 10.485 3.671 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.654 11.353 3.131 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.314 9.931 2.531 1.00 0.00 C ATOM 0 H LEU A 111 -0.752 10.362 5.876 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.606 8.030 4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.798 9.769 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.653 8.676 3.875 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.109 11.105 4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.235 12.157 2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.216 11.779 3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.319 10.746 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.705 10.755 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.302 9.288 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.143 9.353 2.939 1.00 0.00 H new ATOM 1696 N TYR A 112 1.268 7.828 7.286 1.00 0.00 N ATOM 1697 CA TYR A 112 1.969 6.898 8.163 1.00 0.00 C ATOM 1698 C TYR A 112 1.063 5.736 8.560 1.00 0.00 C ATOM 1699 O TYR A 112 1.383 4.574 8.312 1.00 0.00 O ATOM 1700 CB TYR A 112 2.468 7.621 9.415 1.00 0.00 C ATOM 1701 CG TYR A 112 3.266 6.737 10.347 1.00 0.00 C ATOM 1702 CD1 TYR A 112 4.511 6.246 9.973 1.00 0.00 C ATOM 1703 CD2 TYR A 112 2.776 6.393 11.600 1.00 0.00 C ATOM 1704 CE1 TYR A 112 5.244 5.438 10.821 1.00 0.00 C ATOM 1705 CE2 TYR A 112 3.502 5.587 12.455 1.00 0.00 C ATOM 1706 CZ TYR A 112 4.736 5.112 12.061 1.00 0.00 C ATOM 1707 OH TYR A 112 5.462 4.307 12.909 1.00 0.00 O ATOM 0 H TYR A 112 1.197 8.778 7.650 1.00 0.00 H new ATOM 0 HA TYR A 112 2.824 6.499 7.618 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.085 8.468 9.114 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.613 8.026 9.956 1.00 0.00 H new ATOM 0 HD1 TYR A 112 4.912 6.500 9.003 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.810 6.762 11.911 1.00 0.00 H new ATOM 0 HE1 TYR A 112 6.210 5.064 10.514 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.106 5.330 13.426 1.00 0.00 H new ATOM 0 HH TYR A 112 4.963 4.175 13.742 1.00 0.00 H new ATOM 1717 N GLU A 113 -0.069 6.061 9.176 1.00 0.00 N ATOM 1718 CA GLU A 113 -1.021 5.044 9.608 1.00 0.00 C ATOM 1719 C GLU A 113 -1.324 4.067 8.476 1.00 0.00 C ATOM 1720 O GLU A 113 -1.123 2.859 8.612 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.317 5.700 10.091 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.320 6.020 11.576 1.00 0.00 C ATOM 1723 CD GLU A 113 -3.713 5.993 12.175 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -4.626 6.604 11.581 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -3.889 5.362 13.238 1.00 0.00 O ATOM 0 H GLU A 113 -0.349 7.019 9.387 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.573 4.490 10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.480 6.620 9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -3.154 5.038 9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.689 5.302 12.100 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.880 7.005 11.733 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.810 4.597 7.359 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.142 3.773 6.202 1.00 0.00 C ATOM 1734 C LEU A 114 -1.064 2.722 5.954 1.00 0.00 C ATOM 1735 O LEU A 114 -1.365 1.549 5.734 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.312 4.648 4.959 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.557 5.535 4.929 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.395 6.647 3.903 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -4.796 4.706 4.628 1.00 0.00 C ATOM 0 H LEU A 114 -1.983 5.594 7.230 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.082 3.261 6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.433 5.286 4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.331 4.000 4.083 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.679 5.990 5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.291 7.268 3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.531 7.259 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.247 6.212 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.672 5.354 4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.683 4.222 3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.922 3.946 5.400 1.00 0.00 H new ATOM 1751 N ILE A 115 0.193 3.152 5.994 1.00 0.00 N ATOM 1752 CA ILE A 115 1.316 2.247 5.778 1.00 0.00 C ATOM 1753 C ILE A 115 1.354 1.154 6.840 1.00 0.00 C ATOM 1754 O ILE A 115 1.593 -0.014 6.533 1.00 0.00 O ATOM 1755 CB ILE A 115 2.658 3.004 5.787 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.686 4.051 4.672 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.816 2.029 5.635 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.578 5.234 4.977 1.00 0.00 C ATOM 0 H ILE A 115 0.459 4.120 6.174 1.00 0.00 H new ATOM 0 HA ILE A 115 1.171 1.792 4.798 1.00 0.00 H new ATOM 0 HB ILE A 115 2.763 3.517 6.743 1.00 0.00 H new ATOM 0 HG12 ILE A 115 3.025 3.579 3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.671 4.407 4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.757 2.578 5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.804 1.318 6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.718 1.491 4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.549 5.936 4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.227 5.731 5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.601 4.889 5.126 1.00 0.00 H new ATOM 1770 N GLU A 116 1.114 1.541 8.089 1.00 0.00 N ATOM 1771 CA GLU A 116 1.120 0.592 9.196 1.00 0.00 C ATOM 1772 C GLU A 116 0.004 -0.436 9.038 1.00 0.00 C ATOM 1773 O GLU A 116 0.253 -1.641 9.009 1.00 0.00 O ATOM 1774 CB GLU A 116 0.965 1.329 10.528 1.00 0.00 C ATOM 1775 CG GLU A 116 2.100 2.295 10.825 1.00 0.00 C ATOM 1776 CD GLU A 116 3.341 1.596 11.345 1.00 0.00 C ATOM 1777 OE1 GLU A 116 3.220 0.808 12.306 1.00 0.00 O ATOM 1778 OE2 GLU A 116 4.433 1.837 10.789 1.00 0.00 O ATOM 0 H GLU A 116 0.913 2.504 8.359 1.00 0.00 H new ATOM 0 HA GLU A 116 2.076 0.068 9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.024 1.878 10.522 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.902 0.597 11.333 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.351 2.845 9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 116 1.766 3.028 11.560 1.00 0.00 H new ATOM 1785 N LYS A 117 -1.229 0.049 8.936 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.385 -0.825 8.780 1.00 0.00 C ATOM 1787 C LYS A 117 -2.096 -1.936 7.776 1.00 0.00 C ATOM 1788 O LYS A 117 -2.277 -3.116 8.072 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.604 -0.017 8.325 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.833 -0.869 8.060 1.00 0.00 C ATOM 1791 CD LYS A 117 -5.351 -1.513 9.335 1.00 0.00 C ATOM 1792 CE LYS A 117 -6.153 -0.528 10.171 1.00 0.00 C ATOM 1793 NZ LYS A 117 -6.450 -1.065 11.528 1.00 0.00 N ATOM 0 H LYS A 117 -1.453 1.044 8.959 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.598 -1.280 9.747 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.843 0.724 9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.349 0.530 7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.616 -0.252 7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.590 -1.644 7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.975 -2.371 9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.512 -1.890 9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.598 0.406 10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.087 -0.295 9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -6.998 -0.364 12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.001 -1.943 11.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -5.559 -1.264 12.025 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.643 -1.550 6.587 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.334 -2.526 5.558 1.00 0.00 C ATOM 1809 C GLY A 118 -0.609 -3.738 6.108 1.00 0.00 C ATOM 1810 O GLY A 118 -1.160 -4.838 6.145 1.00 0.00 O ATOM 0 H GLY A 118 -1.484 -0.579 6.318 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.258 -2.847 5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -0.720 -2.057 4.789 1.00 0.00 H new ATOM 1814 N LYS A 119 0.634 -3.538 6.535 1.00 0.00 N ATOM 1815 CA LYS A 119 1.438 -4.623 7.086 1.00 0.00 C ATOM 1816 C LYS A 119 0.582 -5.559 7.933 1.00 0.00 C ATOM 1817 O LYS A 119 0.578 -6.772 7.722 1.00 0.00 O ATOM 1818 CB LYS A 119 2.583 -4.059 7.929 1.00 0.00 C ATOM 1819 CG LYS A 119 3.728 -3.499 7.103 1.00 0.00 C ATOM 1820 CD LYS A 119 4.847 -2.973 7.986 1.00 0.00 C ATOM 1821 CE LYS A 119 4.542 -1.574 8.499 1.00 0.00 C ATOM 1822 NZ LYS A 119 5.349 -1.237 9.705 1.00 0.00 N ATOM 0 H LYS A 119 1.106 -2.634 6.510 1.00 0.00 H new ATOM 0 HA LYS A 119 1.853 -5.192 6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.194 -3.272 8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.966 -4.846 8.579 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.117 -4.276 6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.359 -2.696 6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.993 -3.647 8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.780 -2.960 7.423 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.743 -0.847 7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.481 -1.498 8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.100 -0.282 10.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.151 -1.926 10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.361 -1.267 9.465 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.143 -4.988 8.889 1.00 0.00 N ATOM 1837 CA GLU A 120 -1.003 -5.773 9.767 1.00 0.00 C ATOM 1838 C GLU A 120 -1.934 -6.670 8.956 1.00 0.00 C ATOM 1839 O GLU A 120 -1.920 -7.892 9.106 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.825 -4.851 10.670 1.00 0.00 C ATOM 1841 CG GLU A 120 -1.055 -4.330 11.871 1.00 0.00 C ATOM 1842 CD GLU A 120 -1.103 -5.280 13.052 1.00 0.00 C ATOM 1843 OE1 GLU A 120 -2.177 -5.872 13.293 1.00 0.00 O ATOM 1844 OE2 GLU A 120 -0.069 -5.432 13.736 1.00 0.00 O ATOM 0 H GLU A 120 -0.152 -3.985 9.075 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.367 -6.404 10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.181 -4.005 10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.706 -5.390 11.020 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.016 -4.162 11.587 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.464 -3.365 12.169 1.00 0.00 H new ATOM 1851 N ILE A 121 -2.741 -6.055 8.098 1.00 0.00 N ATOM 1852 CA ILE A 121 -3.677 -6.797 7.264 1.00 0.00 C ATOM 1853 C ILE A 121 -3.035 -8.065 6.711 1.00 0.00 C ATOM 1854 O ILE A 121 -3.666 -9.122 6.658 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.187 -5.940 6.090 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -5.126 -4.845 6.601 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -4.892 -6.814 5.064 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -5.359 -3.734 5.600 1.00 0.00 C ATOM 0 H ILE A 121 -2.765 -5.044 7.963 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.520 -7.067 7.900 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.333 -5.464 5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -6.084 -5.293 6.864 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.711 -4.419 7.515 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.247 -6.194 4.240 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.196 -7.561 4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -5.739 -7.314 5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -6.034 -2.993 6.029 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.409 -3.260 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.803 -4.147 4.694 1.00 0.00 H new ATOM 1870 N LEU A 122 -1.776 -7.954 6.302 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.046 -9.092 5.755 1.00 0.00 C ATOM 1872 C LEU A 122 -0.624 -10.052 6.863 1.00 0.00 C ATOM 1873 O LEU A 122 -0.912 -11.248 6.804 1.00 0.00 O ATOM 1874 CB LEU A 122 0.185 -8.611 4.985 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.069 -8.089 3.571 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.194 -7.466 2.996 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.571 -9.209 2.671 1.00 0.00 C ATOM 0 H LEU A 122 -1.239 -7.087 6.339 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.709 -9.623 5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.663 -7.820 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.896 -9.435 4.924 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.838 -7.318 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.993 -7.100 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.510 -6.636 3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.985 -8.215 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.746 -8.819 1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.175 -10.002 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.502 -9.609 3.073 1.00 0.00 H new