USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=16 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 Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 134:sc= 0.436 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot -30:sc= -1.01 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.407 K(o=-0.41,f=-1.3) USER MOD Single : A 60 CYS SG : rot -0:sc= -0.0208 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.683 K(o=-0.68,f=-6!) USER MOD Single : A 71 TYR OH : rot -15:sc= 0 USER MOD Single : A 73 HIS :FLIP no HE2:sc= 0.0643 F(o=-1,f=0.064) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0623 K(o=-0.062,f=-0.64) USER MOD Single : A 87 SER OG : rot 180:sc= -0.222 USER MOD Single : A 90 GLN : amide:sc= -2.13 X(o=-2.1,f=-2!) USER MOD Single : A 92 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 93 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 96 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.2!) USER MOD Single : A 100 HIS : no HD1:sc= -4.98! C(o=-5!,f=-6.4!) 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 -130:sc= -3.49 (180deg=-7.96!) 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+ -121:sc= 0 (180deg=-0.0733) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 11 0.479 22.932 4.097 1.00 0.00 N ATOM 109 CA TRP A 11 0.143 21.565 3.714 1.00 0.00 C ATOM 110 C TRP A 11 0.916 20.558 4.558 1.00 0.00 C ATOM 111 O TRP A 11 2.147 20.546 4.556 1.00 0.00 O ATOM 112 CB TRP A 11 0.441 21.342 2.231 1.00 0.00 C ATOM 113 CG TRP A 11 -0.456 20.326 1.591 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.278 19.441 2.229 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.620 20.089 0.188 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.943 18.669 1.307 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.557 19.047 0.048 1.00 0.00 C ATOM 118 CE3 TRP A 11 -0.068 20.658 -0.963 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.952 18.564 -1.196 1.00 0.00 C ATOM 120 CZ3 TRP A 11 -0.460 20.176 -2.197 1.00 0.00 C ATOM 121 CH2 TRP A 11 -1.395 19.138 -2.306 1.00 0.00 C ATOM 0 HA TRP A 11 -0.922 21.416 3.890 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.341 22.289 1.701 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.477 21.023 2.120 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.389 19.360 3.300 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.615 17.933 1.525 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.652 21.460 -0.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.673 17.764 -1.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -0.038 20.607 -3.093 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.682 18.784 -3.285 1.00 0.00 H new ATOM 132 N VAL A 12 0.186 19.714 5.280 1.00 0.00 N ATOM 133 CA VAL A 12 0.803 18.701 6.128 1.00 0.00 C ATOM 134 C VAL A 12 1.253 17.497 5.308 1.00 0.00 C ATOM 135 O VAL A 12 2.050 16.680 5.771 1.00 0.00 O ATOM 136 CB VAL A 12 -0.163 18.226 7.230 1.00 0.00 C ATOM 137 CG1 VAL A 12 -1.405 17.599 6.617 1.00 0.00 C ATOM 138 CG2 VAL A 12 0.534 17.247 8.163 1.00 0.00 C ATOM 0 H VAL A 12 -0.834 19.712 5.295 1.00 0.00 H new ATOM 0 HA VAL A 12 1.672 19.165 6.593 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.474 19.092 7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.076 17.269 7.411 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.914 18.334 5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.117 16.743 6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.163 16.922 8.935 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.875 16.382 7.594 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.390 17.735 8.629 1.00 0.00 H new ATOM 148 N LEU A 13 0.738 17.394 4.088 1.00 0.00 N ATOM 149 CA LEU A 13 1.087 16.289 3.202 1.00 0.00 C ATOM 150 C LEU A 13 2.593 16.236 2.965 1.00 0.00 C ATOM 151 O LEU A 13 3.261 15.250 3.278 1.00 0.00 O ATOM 152 CB LEU A 13 0.354 16.430 1.866 1.00 0.00 C ATOM 153 CG LEU A 13 1.103 15.923 0.633 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.277 14.414 0.697 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.369 16.324 -0.638 1.00 0.00 C ATOM 0 H LEU A 13 0.078 18.062 3.690 1.00 0.00 H new ATOM 0 HA LEU A 13 0.780 15.360 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.593 15.896 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.116 17.483 1.714 1.00 0.00 H new ATOM 0 HG LEU A 13 2.092 16.381 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.812 14.072 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.846 14.151 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.298 13.936 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.916 15.955 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.633 15.894 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.297 17.410 -0.689 1.00 0.00 H new ATOM 167 N PRO A 14 3.143 17.321 2.401 1.00 0.00 N ATOM 168 CA PRO A 14 4.576 17.424 2.113 1.00 0.00 C ATOM 169 C PRO A 14 5.416 17.537 3.381 1.00 0.00 C ATOM 170 O PRO A 14 6.617 17.266 3.367 1.00 0.00 O ATOM 171 CB PRO A 14 4.681 18.708 1.286 1.00 0.00 C ATOM 172 CG PRO A 14 3.500 19.519 1.695 1.00 0.00 C ATOM 173 CD PRO A 14 2.407 18.533 2.002 1.00 0.00 C ATOM 0 HA PRO A 14 4.953 16.539 1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.613 19.235 1.490 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.663 18.493 0.217 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.730 20.131 2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.199 20.200 0.899 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.757 18.890 2.801 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.774 18.351 1.133 1.00 0.00 H new ATOM 181 N SER A 15 4.777 17.937 4.475 1.00 0.00 N ATOM 182 CA SER A 15 5.466 18.089 5.751 1.00 0.00 C ATOM 183 C SER A 15 5.770 16.727 6.369 1.00 0.00 C ATOM 184 O SER A 15 6.689 16.592 7.176 1.00 0.00 O ATOM 185 CB SER A 15 4.621 18.922 6.715 1.00 0.00 C ATOM 186 OG SER A 15 5.194 18.941 8.011 1.00 0.00 O ATOM 0 H SER A 15 3.783 18.162 4.504 1.00 0.00 H new ATOM 0 HA SER A 15 6.409 18.605 5.568 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.533 19.941 6.338 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.612 18.512 6.766 1.00 0.00 H new ATOM 0 HG SER A 15 4.635 19.481 8.608 1.00 0.00 H new ATOM 192 N GLU A 16 4.990 15.722 5.984 1.00 0.00 N ATOM 193 CA GLU A 16 5.175 14.371 6.502 1.00 0.00 C ATOM 194 C GLU A 16 6.119 13.571 5.609 1.00 0.00 C ATOM 195 O GLU A 16 6.878 12.729 6.087 1.00 0.00 O ATOM 196 CB GLU A 16 3.827 13.654 6.610 1.00 0.00 C ATOM 197 CG GLU A 16 3.945 12.196 7.021 1.00 0.00 C ATOM 198 CD GLU A 16 4.322 12.030 8.481 1.00 0.00 C ATOM 199 OE1 GLU A 16 5.517 12.196 8.807 1.00 0.00 O ATOM 200 OE2 GLU A 16 3.424 11.734 9.296 1.00 0.00 O ATOM 0 H GLU A 16 4.225 15.817 5.316 1.00 0.00 H new ATOM 0 HA GLU A 16 5.619 14.447 7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.203 14.178 7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.316 13.712 5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.997 11.692 6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.694 11.706 6.398 1.00 0.00 H new ATOM 207 N VAL A 17 6.064 13.841 4.308 1.00 0.00 N ATOM 208 CA VAL A 17 6.914 13.147 3.348 1.00 0.00 C ATOM 209 C VAL A 17 8.386 13.272 3.725 1.00 0.00 C ATOM 210 O VAL A 17 9.064 12.272 3.957 1.00 0.00 O ATOM 211 CB VAL A 17 6.713 13.695 1.922 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.720 13.078 0.965 1.00 0.00 C ATOM 213 CG2 VAL A 17 5.289 13.439 1.450 1.00 0.00 C ATOM 0 H VAL A 17 5.440 14.535 3.895 1.00 0.00 H new ATOM 0 HA VAL A 17 6.624 12.096 3.371 1.00 0.00 H new ATOM 0 HB VAL A 17 6.878 14.772 1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.562 13.477 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.731 13.318 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.591 11.996 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.164 13.832 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.093 12.367 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.588 13.935 2.122 1.00 0.00 H new ATOM 223 N GLU A 18 8.873 14.508 3.785 1.00 0.00 N ATOM 224 CA GLU A 18 10.265 14.763 4.135 1.00 0.00 C ATOM 225 C GLU A 18 10.689 13.918 5.333 1.00 0.00 C ATOM 226 O GLU A 18 11.857 13.552 5.467 1.00 0.00 O ATOM 227 CB GLU A 18 10.473 16.247 4.444 1.00 0.00 C ATOM 228 CG GLU A 18 9.928 16.669 5.798 1.00 0.00 C ATOM 229 CD GLU A 18 9.933 18.173 5.986 1.00 0.00 C ATOM 230 OE1 GLU A 18 9.746 18.897 4.986 1.00 0.00 O ATOM 231 OE2 GLU A 18 10.122 18.627 7.134 1.00 0.00 O ATOM 0 H GLU A 18 8.325 15.347 3.596 1.00 0.00 H new ATOM 0 HA GLU A 18 10.884 14.487 3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.539 16.472 4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.993 16.842 3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.910 16.296 5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.523 16.206 6.585 1.00 0.00 H new ATOM 238 N VAL A 19 9.731 13.613 6.203 1.00 0.00 N ATOM 239 CA VAL A 19 10.004 12.812 7.390 1.00 0.00 C ATOM 240 C VAL A 19 9.957 11.322 7.070 1.00 0.00 C ATOM 241 O VAL A 19 10.815 10.554 7.508 1.00 0.00 O ATOM 242 CB VAL A 19 8.997 13.115 8.515 1.00 0.00 C ATOM 243 CG1 VAL A 19 9.223 12.187 9.699 1.00 0.00 C ATOM 244 CG2 VAL A 19 9.099 14.572 8.943 1.00 0.00 C ATOM 0 H VAL A 19 8.759 13.909 6.108 1.00 0.00 H new ATOM 0 HA VAL A 19 11.006 13.077 7.727 1.00 0.00 H new ATOM 0 HB VAL A 19 7.991 12.941 8.134 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.502 12.416 10.484 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.095 11.153 9.380 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.234 12.326 10.083 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.380 14.769 9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.107 14.775 9.306 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.883 15.217 8.091 1.00 0.00 H new ATOM 254 N LEU A 20 8.951 10.919 6.303 1.00 0.00 N ATOM 255 CA LEU A 20 8.792 9.519 5.922 1.00 0.00 C ATOM 256 C LEU A 20 10.022 9.015 5.175 1.00 0.00 C ATOM 257 O LEU A 20 10.652 8.041 5.585 1.00 0.00 O ATOM 258 CB LEU A 20 7.546 9.345 5.051 1.00 0.00 C ATOM 259 CG LEU A 20 6.202 9.488 5.766 1.00 0.00 C ATOM 260 CD1 LEU A 20 5.068 9.582 4.757 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.978 8.322 6.717 1.00 0.00 C ATOM 0 H LEU A 20 8.233 11.541 5.932 1.00 0.00 H new ATOM 0 HA LEU A 20 8.676 8.931 6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.586 10.077 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.586 8.359 4.588 1.00 0.00 H new ATOM 0 HG LEU A 20 6.218 10.409 6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.119 9.683 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.222 10.451 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.049 8.680 4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.017 8.440 7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.982 7.388 6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.774 8.301 7.461 1.00 0.00 H new ATOM 273 N GLU A 21 10.360 9.686 4.079 1.00 0.00 N ATOM 274 CA GLU A 21 11.516 9.306 3.276 1.00 0.00 C ATOM 275 C GLU A 21 12.683 8.887 4.167 1.00 0.00 C ATOM 276 O GLU A 21 13.332 7.872 3.920 1.00 0.00 O ATOM 277 CB GLU A 21 11.941 10.465 2.373 1.00 0.00 C ATOM 278 CG GLU A 21 10.959 10.754 1.251 1.00 0.00 C ATOM 279 CD GLU A 21 11.627 11.360 0.031 1.00 0.00 C ATOM 280 OE1 GLU A 21 12.594 10.754 -0.476 1.00 0.00 O ATOM 281 OE2 GLU A 21 11.183 12.438 -0.415 1.00 0.00 O ATOM 0 H GLU A 21 9.850 10.496 3.727 1.00 0.00 H new ATOM 0 HA GLU A 21 11.231 8.457 2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.060 11.362 2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.916 10.240 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.458 9.829 0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.189 11.434 1.614 1.00 0.00 H new ATOM 288 N SER A 22 12.941 9.678 5.204 1.00 0.00 N ATOM 289 CA SER A 22 14.032 9.393 6.129 1.00 0.00 C ATOM 290 C SER A 22 14.003 7.932 6.569 1.00 0.00 C ATOM 291 O SER A 22 15.039 7.269 6.624 1.00 0.00 O ATOM 292 CB SER A 22 13.943 10.307 7.353 1.00 0.00 C ATOM 293 OG SER A 22 14.982 10.028 8.274 1.00 0.00 O ATOM 0 H SER A 22 12.410 10.520 5.425 1.00 0.00 H new ATOM 0 HA SER A 22 14.973 9.581 5.611 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.002 11.349 7.038 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.976 10.175 7.839 1.00 0.00 H new ATOM 0 HG SER A 22 14.904 10.626 9.046 1.00 0.00 H new ATOM 299 N ILE A 23 12.809 7.438 6.881 1.00 0.00 N ATOM 300 CA ILE A 23 12.644 6.056 7.314 1.00 0.00 C ATOM 301 C ILE A 23 12.466 5.123 6.121 1.00 0.00 C ATOM 302 O ILE A 23 13.225 4.170 5.947 1.00 0.00 O ATOM 303 CB ILE A 23 11.436 5.902 8.257 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.609 6.789 9.492 1.00 0.00 C ATOM 305 CG2 ILE A 23 11.264 4.446 8.664 1.00 0.00 C ATOM 306 CD1 ILE A 23 10.300 7.254 10.090 1.00 0.00 C ATOM 0 H ILE A 23 11.942 7.974 6.842 1.00 0.00 H new ATOM 0 HA ILE A 23 13.552 5.784 7.852 1.00 0.00 H new ATOM 0 HB ILE A 23 10.538 6.220 7.728 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.170 6.240 10.248 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.206 7.660 9.223 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.406 4.353 9.330 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.100 3.837 7.775 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.162 4.104 9.178 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.499 7.878 10.961 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.746 7.831 9.349 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.710 6.389 10.391 1.00 0.00 H new ATOM 318 N TYR A 24 11.459 5.405 5.302 1.00 0.00 N ATOM 319 CA TYR A 24 11.180 4.591 4.125 1.00 0.00 C ATOM 320 C TYR A 24 11.942 5.112 2.910 1.00 0.00 C ATOM 321 O TYR A 24 11.392 5.208 1.812 1.00 0.00 O ATOM 322 CB TYR A 24 9.679 4.578 3.833 1.00 0.00 C ATOM 323 CG TYR A 24 8.830 4.252 5.041 1.00 0.00 C ATOM 324 CD1 TYR A 24 9.086 3.125 5.812 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.771 5.073 5.411 1.00 0.00 C ATOM 326 CE1 TYR A 24 8.312 2.824 6.915 1.00 0.00 C ATOM 327 CE2 TYR A 24 6.993 4.780 6.514 1.00 0.00 C ATOM 328 CZ TYR A 24 7.267 3.654 7.263 1.00 0.00 C ATOM 329 OH TYR A 24 6.495 3.358 8.363 1.00 0.00 O ATOM 0 H TYR A 24 10.822 6.191 5.432 1.00 0.00 H new ATOM 0 HA TYR A 24 11.512 3.573 4.330 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.384 5.553 3.445 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.476 3.848 3.049 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.904 2.473 5.544 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.553 5.955 4.826 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.524 1.943 7.502 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.175 5.429 6.789 1.00 0.00 H new ATOM 0 HH TYR A 24 6.373 4.166 8.904 1.00 0.00 H new ATOM 339 N LEU A 25 13.211 5.445 3.114 1.00 0.00 N ATOM 340 CA LEU A 25 14.051 5.955 2.036 1.00 0.00 C ATOM 341 C LEU A 25 13.762 5.226 0.728 1.00 0.00 C ATOM 342 O LEU A 25 13.344 5.837 -0.256 1.00 0.00 O ATOM 343 CB LEU A 25 15.530 5.805 2.400 1.00 0.00 C ATOM 344 CG LEU A 25 16.101 6.870 3.337 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.499 6.483 3.795 1.00 0.00 C ATOM 346 CD2 LEU A 25 16.120 8.229 2.653 1.00 0.00 C ATOM 0 H LEU A 25 13.681 5.371 4.016 1.00 0.00 H new ATOM 0 HA LEU A 25 13.822 7.012 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.673 4.828 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.113 5.810 1.479 1.00 0.00 H new ATOM 0 HG LEU A 25 15.458 6.937 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.890 7.252 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.458 5.531 4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 25 18.153 6.388 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.529 8.974 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.740 8.177 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.104 8.511 2.375 1.00 0.00 H new ATOM 358 N ASP A 26 13.984 3.916 0.726 1.00 0.00 N ATOM 359 CA ASP A 26 13.743 3.102 -0.460 1.00 0.00 C ATOM 360 C ASP A 26 12.389 2.405 -0.375 1.00 0.00 C ATOM 361 O ASP A 26 11.594 2.458 -1.313 1.00 0.00 O ATOM 362 CB ASP A 26 14.855 2.065 -0.627 1.00 0.00 C ATOM 363 CG ASP A 26 16.129 2.666 -1.187 1.00 0.00 C ATOM 364 OD1 ASP A 26 16.224 2.811 -2.424 1.00 0.00 O ATOM 365 OD2 ASP A 26 17.031 2.994 -0.388 1.00 0.00 O ATOM 0 H ASP A 26 14.330 3.395 1.532 1.00 0.00 H new ATOM 0 HA ASP A 26 13.738 3.761 -1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.067 1.606 0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.510 1.270 -1.289 1.00 0.00 H new ATOM 370 N GLU A 27 12.135 1.751 0.754 1.00 0.00 N ATOM 371 CA GLU A 27 10.878 1.042 0.959 1.00 0.00 C ATOM 372 C GLU A 27 9.720 1.786 0.300 1.00 0.00 C ATOM 373 O GLU A 27 8.929 1.197 -0.438 1.00 0.00 O ATOM 374 CB GLU A 27 10.602 0.870 2.455 1.00 0.00 C ATOM 375 CG GLU A 27 11.629 0.006 3.167 1.00 0.00 C ATOM 376 CD GLU A 27 11.098 -0.586 4.458 1.00 0.00 C ATOM 377 OE1 GLU A 27 10.611 0.186 5.310 1.00 0.00 O ATOM 378 OE2 GLU A 27 11.170 -1.823 4.616 1.00 0.00 O ATOM 0 H GLU A 27 12.783 1.698 1.540 1.00 0.00 H new ATOM 0 HA GLU A 27 10.966 0.059 0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.576 1.852 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.614 0.428 2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.943 -0.800 2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.514 0.604 3.383 1.00 0.00 H new ATOM 385 N LEU A 28 9.626 3.083 0.572 1.00 0.00 N ATOM 386 CA LEU A 28 8.565 3.909 0.006 1.00 0.00 C ATOM 387 C LEU A 28 9.145 5.023 -0.860 1.00 0.00 C ATOM 388 O LEU A 28 10.183 5.598 -0.534 1.00 0.00 O ATOM 389 CB LEU A 28 7.708 4.508 1.122 1.00 0.00 C ATOM 390 CG LEU A 28 6.685 5.560 0.692 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.471 5.529 1.607 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.315 6.945 0.683 1.00 0.00 C ATOM 0 H LEU A 28 10.272 3.585 1.181 1.00 0.00 H new ATOM 0 HA LEU A 28 7.940 3.274 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.177 3.697 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.372 4.956 1.861 1.00 0.00 H new ATOM 0 HG LEU A 28 6.356 5.327 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.754 6.284 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.006 4.544 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.782 5.736 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.572 7.681 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.673 7.188 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.152 6.960 -0.015 1.00 0.00 H new ATOM 404 N GLN A 29 8.466 5.322 -1.962 1.00 0.00 N ATOM 405 CA GLN A 29 8.914 6.369 -2.874 1.00 0.00 C ATOM 406 C GLN A 29 7.839 7.436 -3.047 1.00 0.00 C ATOM 407 O GLN A 29 6.649 7.128 -3.121 1.00 0.00 O ATOM 408 CB GLN A 29 9.277 5.769 -4.233 1.00 0.00 C ATOM 409 CG GLN A 29 10.348 6.552 -4.977 1.00 0.00 C ATOM 410 CD GLN A 29 10.286 6.344 -6.477 1.00 0.00 C ATOM 411 OE1 GLN A 29 10.985 5.493 -7.027 1.00 0.00 O ATOM 412 NE2 GLN A 29 9.446 7.124 -7.149 1.00 0.00 N ATOM 0 H GLN A 29 7.605 4.855 -2.245 1.00 0.00 H new ATOM 0 HA GLN A 29 9.799 6.837 -2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.622 4.745 -4.089 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.380 5.719 -4.850 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.236 7.614 -4.756 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.331 6.253 -4.613 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.885 7.817 -6.653 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.362 7.030 -8.161 1.00 0.00 H new ATOM 421 N VAL A 30 8.265 8.694 -3.111 1.00 0.00 N ATOM 422 CA VAL A 30 7.339 9.808 -3.276 1.00 0.00 C ATOM 423 C VAL A 30 7.659 10.607 -4.534 1.00 0.00 C ATOM 424 O VAL A 30 8.823 10.883 -4.827 1.00 0.00 O ATOM 425 CB VAL A 30 7.373 10.751 -2.059 1.00 0.00 C ATOM 426 CG1 VAL A 30 6.457 11.945 -2.283 1.00 0.00 C ATOM 427 CG2 VAL A 30 6.987 10.002 -0.793 1.00 0.00 C ATOM 0 H VAL A 30 9.246 8.967 -3.051 1.00 0.00 H new ATOM 0 HA VAL A 30 6.341 9.379 -3.366 1.00 0.00 H new ATOM 0 HB VAL A 30 8.391 11.122 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.494 12.600 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.785 12.495 -3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.435 11.597 -2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.017 10.684 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.980 9.600 -0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.688 9.184 -0.626 1.00 0.00 H new ATOM 437 N ILE A 31 6.619 10.976 -5.275 1.00 0.00 N ATOM 438 CA ILE A 31 6.790 11.745 -6.501 1.00 0.00 C ATOM 439 C ILE A 31 6.084 13.093 -6.407 1.00 0.00 C ATOM 440 O ILE A 31 4.854 13.163 -6.399 1.00 0.00 O ATOM 441 CB ILE A 31 6.252 10.980 -7.725 1.00 0.00 C ATOM 442 CG1 ILE A 31 7.147 9.779 -8.037 1.00 0.00 C ATOM 443 CG2 ILE A 31 6.158 11.905 -8.929 1.00 0.00 C ATOM 444 CD1 ILE A 31 7.026 9.290 -9.463 1.00 0.00 C ATOM 0 H ILE A 31 5.650 10.755 -5.047 1.00 0.00 H new ATOM 0 HA ILE A 31 7.861 11.906 -6.626 1.00 0.00 H new ATOM 0 HB ILE A 31 5.252 10.613 -7.495 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.185 10.049 -7.841 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.896 8.963 -7.359 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.776 11.350 -9.786 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.483 12.730 -8.702 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.147 12.299 -9.163 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.688 8.437 -9.613 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.997 8.989 -9.658 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.306 10.091 -10.147 1.00 0.00 H new ATOM 569 N TRP A 40 -0.525 14.324 -5.629 1.00 0.00 N ATOM 570 CA TRP A 40 0.792 13.714 -5.491 1.00 0.00 C ATOM 571 C TRP A 40 0.727 12.214 -5.759 1.00 0.00 C ATOM 572 O TRP A 40 -0.332 11.678 -6.083 1.00 0.00 O ATOM 573 CB TRP A 40 1.351 13.971 -4.091 1.00 0.00 C ATOM 574 CG TRP A 40 1.772 15.393 -3.872 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.144 16.514 -4.333 1.00 0.00 C ATOM 576 CD2 TRP A 40 2.916 15.844 -3.138 1.00 0.00 C ATOM 577 NE1 TRP A 40 1.828 17.636 -3.930 1.00 0.00 N ATOM 578 CE2 TRP A 40 2.918 17.252 -3.195 1.00 0.00 C ATOM 579 CE3 TRP A 40 3.936 15.197 -2.436 1.00 0.00 C ATOM 580 CZ2 TRP A 40 3.901 18.020 -2.578 1.00 0.00 C ATOM 581 CZ3 TRP A 40 4.912 15.961 -1.825 1.00 0.00 C ATOM 582 CH2 TRP A 40 4.889 17.360 -1.898 1.00 0.00 C ATOM 0 HA TRP A 40 1.455 14.168 -6.228 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.596 13.705 -3.351 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.206 13.316 -3.923 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.242 16.519 -4.927 1.00 0.00 H new ATOM 0 HE1 TRP A 40 1.566 18.598 -4.144 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.961 14.119 -2.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.885 19.098 -2.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.706 15.471 -1.282 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.666 17.929 -1.408 1.00 0.00 H new ATOM 593 N GLU A 41 1.866 11.543 -5.620 1.00 0.00 N ATOM 594 CA GLU A 41 1.937 10.104 -5.848 1.00 0.00 C ATOM 595 C GLU A 41 2.987 9.462 -4.946 1.00 0.00 C ATOM 596 O GLU A 41 4.078 10.003 -4.762 1.00 0.00 O ATOM 597 CB GLU A 41 2.263 9.813 -7.315 1.00 0.00 C ATOM 598 CG GLU A 41 1.681 8.503 -7.819 1.00 0.00 C ATOM 599 CD GLU A 41 1.621 8.436 -9.333 1.00 0.00 C ATOM 600 OE1 GLU A 41 2.543 8.965 -9.988 1.00 0.00 O ATOM 601 OE2 GLU A 41 0.652 7.853 -9.862 1.00 0.00 O ATOM 0 H GLU A 41 2.751 11.972 -5.351 1.00 0.00 H new ATOM 0 HA GLU A 41 0.964 9.675 -5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.886 10.629 -7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.346 9.792 -7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.283 7.675 -7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.677 8.376 -7.413 1.00 0.00 H new ATOM 608 N ILE A 42 2.648 8.305 -4.386 1.00 0.00 N ATOM 609 CA ILE A 42 3.561 7.589 -3.503 1.00 0.00 C ATOM 610 C ILE A 42 3.418 6.080 -3.673 1.00 0.00 C ATOM 611 O ILE A 42 2.307 5.555 -3.748 1.00 0.00 O ATOM 612 CB ILE A 42 3.318 7.953 -2.027 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.436 9.465 -1.825 1.00 0.00 C ATOM 614 CG2 ILE A 42 4.302 7.215 -1.131 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.804 9.955 -0.541 1.00 0.00 C ATOM 0 H ILE A 42 1.749 7.844 -4.528 1.00 0.00 H new ATOM 0 HA ILE A 42 4.571 7.890 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 42 2.308 7.647 -1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.490 9.743 -1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.968 9.973 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.118 7.483 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.174 6.140 -1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.320 7.493 -1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.926 11.035 -0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.742 9.709 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.288 9.474 0.309 1.00 0.00 H new ATOM 627 N TYR A 43 4.550 5.388 -3.732 1.00 0.00 N ATOM 628 CA TYR A 43 4.553 3.939 -3.894 1.00 0.00 C ATOM 629 C TYR A 43 5.248 3.260 -2.717 1.00 0.00 C ATOM 630 O TYR A 43 6.010 3.892 -1.984 1.00 0.00 O ATOM 631 CB TYR A 43 5.244 3.551 -5.202 1.00 0.00 C ATOM 632 CG TYR A 43 4.975 4.513 -6.337 1.00 0.00 C ATOM 633 CD1 TYR A 43 3.742 4.535 -6.977 1.00 0.00 C ATOM 634 CD2 TYR A 43 5.954 5.399 -6.770 1.00 0.00 C ATOM 635 CE1 TYR A 43 3.492 5.412 -8.015 1.00 0.00 C ATOM 636 CE2 TYR A 43 5.712 6.280 -7.806 1.00 0.00 C ATOM 637 CZ TYR A 43 4.479 6.282 -8.426 1.00 0.00 C ATOM 638 OH TYR A 43 4.235 7.158 -9.459 1.00 0.00 O ATOM 0 H TYR A 43 5.478 5.807 -3.670 1.00 0.00 H new ATOM 0 HA TYR A 43 3.517 3.601 -3.925 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.319 3.494 -5.032 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.914 2.554 -5.496 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.966 3.855 -6.658 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.921 5.399 -6.288 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.528 5.416 -8.502 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.483 6.963 -8.129 1.00 0.00 H new ATOM 0 HH TYR A 43 3.587 6.762 -10.078 1.00 0.00 H new ATOM 648 N ILE A 44 4.980 1.970 -2.544 1.00 0.00 N ATOM 649 CA ILE A 44 5.581 1.205 -1.459 1.00 0.00 C ATOM 650 C ILE A 44 5.289 -0.284 -1.609 1.00 0.00 C ATOM 651 O ILE A 44 4.170 -0.680 -1.939 1.00 0.00 O ATOM 652 CB ILE A 44 5.071 1.680 -0.085 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.709 0.854 1.033 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.554 1.586 -0.022 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.466 1.419 2.415 1.00 0.00 C ATOM 0 H ILE A 44 4.351 1.433 -3.141 1.00 0.00 H new ATOM 0 HA ILE A 44 6.657 1.370 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 44 5.356 2.723 0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.318 -0.163 0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.783 0.790 0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.209 1.925 0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.118 2.214 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.247 0.552 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.947 0.783 3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.882 2.425 2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.394 1.457 2.609 1.00 0.00 H new ATOM 667 N THR A 45 6.303 -1.108 -1.364 1.00 0.00 N ATOM 668 CA THR A 45 6.156 -2.554 -1.471 1.00 0.00 C ATOM 669 C THR A 45 5.766 -3.168 -0.131 1.00 0.00 C ATOM 670 O THR A 45 6.524 -3.102 0.838 1.00 0.00 O ATOM 671 CB THR A 45 7.456 -3.216 -1.967 1.00 0.00 C ATOM 672 OG1 THR A 45 7.899 -2.581 -3.171 1.00 0.00 O ATOM 673 CG2 THR A 45 7.245 -4.701 -2.218 1.00 0.00 C ATOM 0 H THR A 45 7.235 -0.798 -1.090 1.00 0.00 H new ATOM 0 HA THR A 45 5.363 -2.738 -2.196 1.00 0.00 H new ATOM 0 HB THR A 45 8.216 -3.099 -1.194 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.727 -3.006 -3.479 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.176 -5.147 -2.567 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.935 -5.186 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.472 -4.836 -2.974 1.00 0.00 H new ATOM 681 N LEU A 46 4.581 -3.766 -0.082 1.00 0.00 N ATOM 682 CA LEU A 46 4.090 -4.393 1.141 1.00 0.00 C ATOM 683 C LEU A 46 4.149 -5.913 1.034 1.00 0.00 C ATOM 684 O LEU A 46 4.063 -6.473 -0.059 1.00 0.00 O ATOM 685 CB LEU A 46 2.656 -3.946 1.426 1.00 0.00 C ATOM 686 CG LEU A 46 2.249 -3.896 2.899 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.042 -2.829 3.637 1.00 0.00 C ATOM 688 CD2 LEU A 46 0.755 -3.639 3.032 1.00 0.00 C ATOM 0 H LEU A 46 3.942 -3.830 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 46 4.732 -4.080 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.514 -2.954 0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.976 -4.620 0.905 1.00 0.00 H new ATOM 0 HG LEU A 46 2.473 -4.863 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.738 -2.809 4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.106 -3.057 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.851 -1.856 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.484 -3.607 4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.507 -2.686 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.203 -4.440 2.540 1.00 0.00 H new ATOM 700 N HIS A 47 4.295 -6.576 2.177 1.00 0.00 N ATOM 701 CA HIS A 47 4.363 -8.033 2.212 1.00 0.00 C ATOM 702 C HIS A 47 4.156 -8.552 3.632 1.00 0.00 C ATOM 703 O HIS A 47 4.458 -7.877 4.616 1.00 0.00 O ATOM 704 CB HIS A 47 5.709 -8.515 1.672 1.00 0.00 C ATOM 705 CG HIS A 47 6.876 -8.100 2.513 1.00 0.00 C ATOM 706 ND1 HIS A 47 7.177 -8.686 3.725 1.00 0.00 N ATOM 707 CD2 HIS A 47 7.821 -7.152 2.312 1.00 0.00 C ATOM 708 CE1 HIS A 47 8.254 -8.115 4.233 1.00 0.00 C ATOM 709 NE2 HIS A 47 8.665 -7.181 3.394 1.00 0.00 N ATOM 0 H HIS A 47 4.368 -6.128 3.090 1.00 0.00 H new ATOM 0 HA HIS A 47 3.566 -8.425 1.580 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.693 -9.602 1.599 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.845 -8.129 0.662 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.897 -6.495 1.458 1.00 0.00 H new ATOM 0 HE1 HIS A 47 8.719 -8.368 5.174 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.478 -6.579 3.528 1.00 0.00 H new ATOM 871 N VAL A 59 3.590 -13.816 -1.649 1.00 0.00 N ATOM 872 CA VAL A 59 2.609 -12.780 -1.948 1.00 0.00 C ATOM 873 C VAL A 59 3.194 -11.389 -1.725 1.00 0.00 C ATOM 874 O VAL A 59 3.945 -11.166 -0.775 1.00 0.00 O ATOM 875 CB VAL A 59 1.344 -12.937 -1.084 1.00 0.00 C ATOM 876 CG1 VAL A 59 1.718 -13.174 0.372 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.450 -11.715 -1.222 1.00 0.00 C ATOM 0 HA VAL A 59 2.339 -12.894 -2.998 1.00 0.00 H new ATOM 0 HB VAL A 59 0.789 -13.806 -1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.812 -13.283 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.315 -14.082 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.296 -12.327 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.439 -11.843 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.993 -10.828 -0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.154 -11.597 -2.264 1.00 0.00 H new ATOM 887 N CYS A 60 2.844 -10.459 -2.606 1.00 0.00 N ATOM 888 CA CYS A 60 3.335 -9.089 -2.506 1.00 0.00 C ATOM 889 C CYS A 60 2.583 -8.171 -3.465 1.00 0.00 C ATOM 890 O CYS A 60 2.051 -8.619 -4.481 1.00 0.00 O ATOM 891 CB CYS A 60 4.834 -9.039 -2.803 1.00 0.00 C ATOM 892 SG CYS A 60 5.700 -7.667 -2.003 1.00 0.00 S ATOM 0 H CYS A 60 2.223 -10.628 -3.397 1.00 0.00 H new ATOM 0 HA CYS A 60 3.163 -8.741 -1.488 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.288 -9.977 -2.484 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.978 -8.966 -3.881 1.00 0.00 H new ATOM 0 HG CYS A 60 4.852 -6.959 -1.317 1.00 0.00 H new ATOM 898 N PHE A 61 2.543 -6.884 -3.134 1.00 0.00 N ATOM 899 CA PHE A 61 1.854 -5.903 -3.965 1.00 0.00 C ATOM 900 C PHE A 61 2.419 -4.504 -3.736 1.00 0.00 C ATOM 901 O PHE A 61 3.154 -4.268 -2.776 1.00 0.00 O ATOM 902 CB PHE A 61 0.353 -5.914 -3.665 1.00 0.00 C ATOM 903 CG PHE A 61 -0.015 -5.159 -2.420 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.153 -3.781 -2.445 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.225 -5.828 -1.225 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.491 -3.084 -1.301 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.564 -5.136 -0.077 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.698 -3.762 -0.116 1.00 0.00 C ATOM 0 H PHE A 61 2.979 -6.497 -2.297 1.00 0.00 H new ATOM 0 HA PHE A 61 2.011 -6.173 -5.009 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.182 -5.485 -4.512 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.018 -6.947 -3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.005 -3.245 -3.369 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.123 -6.903 -1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.593 -2.009 -1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.724 -5.669 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.964 -3.219 0.779 1.00 0.00 H new ATOM 918 N THR A 62 2.072 -3.579 -4.625 1.00 0.00 N ATOM 919 CA THR A 62 2.545 -2.205 -4.523 1.00 0.00 C ATOM 920 C THR A 62 1.428 -1.271 -4.070 1.00 0.00 C ATOM 921 O THR A 62 0.455 -1.055 -4.793 1.00 0.00 O ATOM 922 CB THR A 62 3.106 -1.702 -5.867 1.00 0.00 C ATOM 923 OG1 THR A 62 4.341 -2.364 -6.160 1.00 0.00 O ATOM 924 CG2 THR A 62 3.327 -0.197 -5.832 1.00 0.00 C ATOM 0 H THR A 62 1.464 -3.757 -5.425 1.00 0.00 H new ATOM 0 HA THR A 62 3.343 -2.200 -3.780 1.00 0.00 H new ATOM 0 HB THR A 62 2.379 -1.928 -6.647 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.690 -2.040 -7.016 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.723 0.135 -6.792 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.380 0.305 -5.637 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.037 0.048 -5.042 1.00 0.00 H new ATOM 932 N LEU A 63 1.575 -0.719 -2.871 1.00 0.00 N ATOM 933 CA LEU A 63 0.578 0.193 -2.321 1.00 0.00 C ATOM 934 C LEU A 63 0.806 1.615 -2.823 1.00 0.00 C ATOM 935 O LEU A 63 1.854 2.212 -2.575 1.00 0.00 O ATOM 936 CB LEU A 63 0.621 0.167 -0.792 1.00 0.00 C ATOM 937 CG LEU A 63 -0.711 0.400 -0.079 1.00 0.00 C ATOM 938 CD1 LEU A 63 -0.527 0.339 1.429 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.310 1.736 -0.492 1.00 0.00 C ATOM 0 H LEU A 63 2.375 -0.887 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.405 -0.138 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.015 -0.799 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.328 0.925 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.401 -0.391 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.486 0.507 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.143 -0.642 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.180 1.108 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.258 1.885 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.623 2.540 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.479 1.741 -1.569 1.00 0.00 H new ATOM 951 N VAL A 64 -0.183 2.154 -3.529 1.00 0.00 N ATOM 952 CA VAL A 64 -0.092 3.507 -4.063 1.00 0.00 C ATOM 953 C VAL A 64 -0.996 4.464 -3.294 1.00 0.00 C ATOM 954 O VAL A 64 -2.205 4.251 -3.198 1.00 0.00 O ATOM 955 CB VAL A 64 -0.471 3.549 -5.556 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.247 4.941 -6.125 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.321 2.511 -6.335 1.00 0.00 C ATOM 0 H VAL A 64 -1.057 1.674 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 64 0.945 3.822 -3.950 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.530 3.311 -5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.520 4.951 -7.180 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.863 5.659 -5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.803 5.213 -6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.041 2.554 -7.388 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.387 2.716 -6.234 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.104 1.518 -5.942 1.00 0.00 H new ATOM 967 N LEU A 65 -0.402 5.519 -2.747 1.00 0.00 N ATOM 968 CA LEU A 65 -1.154 6.510 -1.985 1.00 0.00 C ATOM 969 C LEU A 65 -1.405 7.762 -2.819 1.00 0.00 C ATOM 970 O LEU A 65 -0.516 8.597 -2.985 1.00 0.00 O ATOM 971 CB LEU A 65 -0.400 6.878 -0.706 1.00 0.00 C ATOM 972 CG LEU A 65 -0.674 5.996 0.513 1.00 0.00 C ATOM 973 CD1 LEU A 65 -2.113 6.160 0.977 1.00 0.00 C ATOM 974 CD2 LEU A 65 -0.378 4.538 0.193 1.00 0.00 C ATOM 0 H LEU A 65 0.597 5.710 -2.817 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.117 6.074 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.669 6.849 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.646 7.908 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.015 6.311 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.290 5.525 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.292 7.201 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.790 5.872 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.578 3.925 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.012 4.210 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.669 4.433 -0.091 1.00 0.00 H new ATOM 986 N GLN A 66 -2.621 7.887 -3.339 1.00 0.00 N ATOM 987 CA GLN A 66 -2.989 9.038 -4.155 1.00 0.00 C ATOM 988 C GLN A 66 -3.493 10.184 -3.284 1.00 0.00 C ATOM 989 O GLN A 66 -4.654 10.201 -2.873 1.00 0.00 O ATOM 990 CB GLN A 66 -4.061 8.646 -5.174 1.00 0.00 C ATOM 991 CG GLN A 66 -3.493 8.124 -6.484 1.00 0.00 C ATOM 992 CD GLN A 66 -3.256 6.627 -6.462 1.00 0.00 C ATOM 993 OE1 GLN A 66 -3.180 6.015 -5.396 1.00 0.00 O ATOM 994 NE2 GLN A 66 -3.139 6.028 -7.641 1.00 0.00 N ATOM 0 H GLN A 66 -3.369 7.205 -3.210 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.099 9.374 -4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.704 7.882 -4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.689 9.513 -5.380 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.179 8.368 -7.296 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.553 8.634 -6.697 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.209 6.574 -8.500 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.980 5.022 -7.688 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.613 11.140 -3.005 1.00 0.00 N ATOM 1004 CA VAL A 67 -2.969 12.290 -2.182 1.00 0.00 C ATOM 1005 C VAL A 67 -3.514 13.429 -3.037 1.00 0.00 C ATOM 1006 O VAL A 67 -2.785 14.084 -3.781 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.760 12.801 -1.377 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.139 14.027 -0.562 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.215 11.701 -0.479 1.00 0.00 C ATOM 0 H VAL A 67 -1.648 11.141 -3.337 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.742 11.956 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.976 13.089 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.271 14.373 -0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.477 14.818 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.941 13.770 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.361 12.080 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.992 11.379 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.901 10.855 -1.090 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.829 13.673 -2.929 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.502 14.734 -3.684 1.00 0.00 C ATOM 1021 C PRO A 68 -5.105 16.127 -3.206 1.00 0.00 C ATOM 1022 O PRO A 68 -4.198 16.277 -2.387 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.986 14.478 -3.410 1.00 0.00 C ATOM 1024 CG PRO A 68 -7.012 13.763 -2.103 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.760 12.932 -2.061 1.00 0.00 C ATOM 0 HA PRO A 68 -5.239 14.711 -4.742 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.546 15.412 -3.362 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.436 13.876 -4.199 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.040 14.469 -1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.900 13.136 -2.019 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.374 12.838 -1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.936 11.922 -2.430 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.789 17.142 -3.723 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.508 18.522 -3.346 1.00 0.00 C ATOM 1035 C ALA A 69 -6.142 18.864 -2.002 1.00 0.00 C ATOM 1036 O ALA A 69 -5.512 19.490 -1.150 1.00 0.00 O ATOM 1037 CB ALA A 69 -6.006 19.474 -4.424 1.00 0.00 C ATOM 0 H ALA A 69 -6.541 17.035 -4.404 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.428 18.634 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.790 20.501 -4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.503 19.253 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.082 19.351 -4.549 1.00 0.00 H new ATOM 1043 N GLU A 70 -7.392 18.450 -1.819 1.00 0.00 N ATOM 1044 CA GLU A 70 -8.110 18.714 -0.578 1.00 0.00 C ATOM 1045 C GLU A 70 -7.295 18.261 0.629 1.00 0.00 C ATOM 1046 O GLU A 70 -7.197 18.974 1.629 1.00 0.00 O ATOM 1047 CB GLU A 70 -9.466 18.006 -0.587 1.00 0.00 C ATOM 1048 CG GLU A 70 -10.498 18.677 -1.478 1.00 0.00 C ATOM 1049 CD GLU A 70 -10.190 18.512 -2.954 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -10.164 17.356 -3.428 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -9.974 19.536 -3.634 1.00 0.00 O ATOM 0 H GLU A 70 -7.928 17.931 -2.514 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.271 19.789 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.327 16.977 -0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.851 17.964 0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.482 18.258 -1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.545 19.739 -1.237 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.712 17.072 0.529 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.908 16.521 1.614 1.00 0.00 C ATOM 1060 C TYR A 71 -5.243 17.634 2.418 1.00 0.00 C ATOM 1061 O TYR A 71 -4.754 18.623 1.872 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.844 15.573 1.058 1.00 0.00 C ATOM 1063 CG TYR A 71 -4.039 14.871 2.128 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -3.169 15.580 2.947 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -4.150 13.500 2.321 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -2.431 14.942 3.925 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.417 12.854 3.298 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.558 13.580 4.097 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.826 12.941 5.071 1.00 0.00 O ATOM 0 H TYR A 71 -6.781 16.471 -0.292 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.571 15.964 2.277 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.328 14.825 0.430 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.166 16.137 0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.068 16.647 2.817 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.821 12.929 1.696 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.758 15.508 4.552 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.516 11.787 3.435 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.107 13.531 5.380 1.00 0.00 H new ATOM 1079 N PRO A 72 -5.223 17.470 3.749 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.802 16.297 4.411 1.00 0.00 C ATOM 1081 C PRO A 72 -7.325 16.281 4.334 1.00 0.00 C ATOM 1082 O PRO A 72 -7.952 15.229 4.467 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.342 16.445 5.863 1.00 0.00 C ATOM 1084 CG PRO A 72 -5.115 17.907 6.041 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.633 18.416 4.711 1.00 0.00 C ATOM 0 HA PRO A 72 -5.484 15.366 3.942 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.096 16.074 6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.430 15.877 6.049 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.034 18.411 6.342 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.378 18.095 6.821 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.967 19.437 4.527 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.545 18.421 4.653 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.914 17.452 4.117 1.00 0.00 N ATOM 1094 CA HIS A 73 -9.365 17.572 4.021 1.00 0.00 C ATOM 1095 C HIS A 73 -9.974 16.318 3.400 1.00 0.00 C ATOM 1096 O HIS A 73 -10.974 15.795 3.891 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.742 18.800 3.192 1.00 0.00 C ATOM 1098 CG HIS A 73 -9.297 20.094 3.801 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -8.077 20.680 3.840 1.00 0.00 N flip ATOM 1100 CD2 HIS A 73 -10.151 20.944 4.472 1.00 0.00 C flip ATOM 1101 CE1 HIS A 73 -8.216 21.863 4.525 1.00 0.00 C flip ATOM 1102 NE2 HIS A 73 -9.477 21.998 4.895 1.00 0.00 N flip ATOM 0 H HIS A 73 -7.410 18.331 4.004 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.763 17.687 5.029 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -9.304 18.706 2.198 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.824 18.822 3.062 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -7.216 20.312 3.436 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -11.206 20.774 4.627 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.423 22.568 4.728 1.00 0.00 H new ATOM 1111 N GLU A 74 -9.363 15.843 2.319 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.847 14.651 1.632 1.00 0.00 C ATOM 1113 C GLU A 74 -8.878 13.487 1.813 1.00 0.00 C ATOM 1114 O GLU A 74 -7.662 13.676 1.848 1.00 0.00 O ATOM 1115 CB GLU A 74 -10.042 14.939 0.141 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.728 13.812 -0.612 1.00 0.00 C ATOM 1117 CD GLU A 74 -11.448 14.294 -1.856 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -10.806 14.363 -2.925 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -12.654 14.603 -1.760 1.00 0.00 O ATOM 0 H GLU A 74 -8.534 16.264 1.901 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.806 14.374 2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.630 15.850 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.070 15.130 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.987 13.064 -0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.442 13.321 0.049 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.426 12.281 1.930 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.611 11.085 2.108 1.00 0.00 C ATOM 1128 C VAL A 75 -7.965 10.660 0.795 1.00 0.00 C ATOM 1129 O VAL A 75 -8.558 10.761 -0.279 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.447 9.914 2.659 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -10.004 10.255 4.033 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.567 9.559 1.693 1.00 0.00 C ATOM 0 H VAL A 75 -10.431 12.107 1.905 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.832 11.336 2.828 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.798 9.044 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.592 9.416 4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.181 10.456 4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.639 11.138 3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.148 8.730 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.216 10.424 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.141 9.269 0.733 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.718 10.173 0.879 1.00 0.00 N ATOM 1143 CA PRO A 76 -5.963 9.722 -0.293 1.00 0.00 C ATOM 1144 C PRO A 76 -6.529 8.437 -0.888 1.00 0.00 C ATOM 1145 O PRO A 76 -6.732 7.452 -0.179 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.557 9.480 0.262 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.764 9.199 1.710 1.00 0.00 C ATOM 1148 CD PRO A 76 -5.949 10.025 2.127 1.00 0.00 C ATOM 0 HA PRO A 76 -5.997 10.450 -1.104 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.073 8.642 -0.239 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.918 10.351 0.115 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.949 8.138 1.879 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.880 9.465 2.289 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.533 9.528 2.902 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.644 10.992 2.528 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.782 8.455 -2.193 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.325 7.291 -2.881 1.00 0.00 C ATOM 1158 C GLN A 77 -6.392 6.093 -2.745 1.00 0.00 C ATOM 1159 O GLN A 77 -5.231 6.149 -3.151 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.555 7.608 -4.360 1.00 0.00 C ATOM 1161 CG GLN A 77 -8.754 8.507 -4.611 1.00 0.00 C ATOM 1162 CD GLN A 77 -10.040 7.727 -4.796 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -10.357 6.835 -4.008 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -10.790 8.059 -5.840 1.00 0.00 N ATOM 0 H GLN A 77 -6.619 9.263 -2.794 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.279 7.039 -2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.662 8.086 -4.763 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.691 6.674 -4.906 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -8.869 9.196 -3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.570 9.112 -5.499 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.489 8.805 -6.468 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.667 7.568 -6.014 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.906 5.011 -2.170 1.00 0.00 N ATOM 1174 CA ILE A 78 -6.118 3.799 -1.981 1.00 0.00 C ATOM 1175 C ILE A 78 -6.196 2.895 -3.206 1.00 0.00 C ATOM 1176 O ILE A 78 -7.276 2.448 -3.592 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.587 3.010 -0.744 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -6.443 3.864 0.517 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.795 1.718 -0.609 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -7.465 3.541 1.585 1.00 0.00 C ATOM 0 H ILE A 78 -7.865 4.949 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.086 4.115 -1.831 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.640 2.757 -0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.443 3.725 0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.533 4.916 0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.138 1.171 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.944 1.106 -1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.735 1.950 -0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.303 4.184 2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.468 3.708 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.361 2.498 1.884 1.00 0.00 H new ATOM 1192 N SER A 79 -5.044 2.630 -3.814 1.00 0.00 N ATOM 1193 CA SER A 79 -4.981 1.781 -4.997 1.00 0.00 C ATOM 1194 C SER A 79 -3.851 0.764 -4.877 1.00 0.00 C ATOM 1195 O SER A 79 -2.849 1.009 -4.204 1.00 0.00 O ATOM 1196 CB SER A 79 -4.785 2.633 -6.253 1.00 0.00 C ATOM 1197 OG SER A 79 -5.824 3.587 -6.389 1.00 0.00 O ATOM 0 H SER A 79 -4.141 2.992 -3.506 1.00 0.00 H new ATOM 0 HA SER A 79 -5.925 1.241 -5.077 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.823 3.143 -6.204 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.760 1.990 -7.133 1.00 0.00 H new ATOM 0 HG SER A 79 -5.675 4.120 -7.198 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.018 -0.379 -5.535 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.012 -1.433 -5.503 1.00 0.00 C ATOM 1205 C ILE A 80 -2.508 -1.754 -6.906 1.00 0.00 C ATOM 1206 O ILE A 80 -3.298 -1.935 -7.834 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.564 -2.719 -4.861 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -3.992 -2.451 -3.417 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.523 -3.827 -4.914 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.734 -3.606 -2.782 1.00 0.00 C ATOM 0 H ILE A 80 -4.841 -0.598 -6.097 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.185 -1.062 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.439 -3.042 -5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.108 -2.226 -2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.627 -1.565 -3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.928 -4.729 -4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.263 -4.032 -5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.631 -3.514 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.006 -3.345 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.637 -3.818 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.094 -4.489 -2.773 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.190 -1.825 -7.054 1.00 0.00 N ATOM 1223 CA ARG A 81 -0.580 -2.126 -8.344 1.00 0.00 C ATOM 1224 C ARG A 81 0.094 -3.494 -8.321 1.00 0.00 C ATOM 1225 O ARG A 81 0.639 -3.911 -7.300 1.00 0.00 O ATOM 1226 CB ARG A 81 0.441 -1.048 -8.713 1.00 0.00 C ATOM 1227 CG ARG A 81 -0.165 0.336 -8.872 1.00 0.00 C ATOM 1228 CD ARG A 81 -0.608 0.589 -10.305 1.00 0.00 C ATOM 1229 NE ARG A 81 -1.896 -0.035 -10.598 1.00 0.00 N ATOM 1230 CZ ARG A 81 -2.609 0.227 -11.687 1.00 0.00 C ATOM 1231 NH1 ARG A 81 -2.162 1.097 -12.583 1.00 0.00 N ATOM 1232 NH2 ARG A 81 -3.772 -0.381 -11.883 1.00 0.00 N ATOM 0 H ARG A 81 -0.523 -1.678 -6.296 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.369 -2.142 -9.096 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.212 -1.011 -7.944 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.933 -1.329 -9.644 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.019 0.440 -8.202 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.565 1.090 -8.577 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.678 1.663 -10.479 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.146 0.203 -10.991 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.268 -0.709 -9.929 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.268 1.567 -12.436 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.712 1.296 -13.419 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.119 -1.051 -11.197 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.319 -0.179 -12.720 1.00 0.00 H new ATOM 1246 N ASN A 82 0.053 -4.188 -9.454 1.00 0.00 N ATOM 1247 CA ASN A 82 0.659 -5.510 -9.563 1.00 0.00 C ATOM 1248 C ASN A 82 0.324 -6.365 -8.345 1.00 0.00 C ATOM 1249 O ASN A 82 1.204 -6.892 -7.664 1.00 0.00 O ATOM 1250 CB ASN A 82 2.177 -5.387 -9.712 1.00 0.00 C ATOM 1251 CG ASN A 82 2.600 -5.152 -11.149 1.00 0.00 C ATOM 1252 OD1 ASN A 82 2.064 -5.763 -12.074 1.00 0.00 O ATOM 1253 ND2 ASN A 82 3.566 -4.262 -11.343 1.00 0.00 N ATOM 0 H ASN A 82 -0.393 -3.857 -10.309 1.00 0.00 H new ATOM 0 HA ASN A 82 0.252 -5.997 -10.449 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.535 -4.565 -9.092 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.651 -6.296 -9.341 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.892 -4.061 -12.288 1.00 0.00 H new ATOM 0 HD22 ASN A 82 3.982 -3.779 -10.547 1.00 0.00 H new ATOM 1260 N PRO A 83 -0.980 -6.507 -8.062 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.462 -7.297 -6.926 1.00 0.00 C ATOM 1262 C PRO A 83 -1.241 -8.793 -7.125 1.00 0.00 C ATOM 1263 O PRO A 83 -2.100 -9.490 -7.667 1.00 0.00 O ATOM 1264 CB PRO A 83 -2.958 -6.979 -6.881 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.304 -6.588 -8.276 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.083 -5.907 -8.830 1.00 0.00 C ATOM 0 HA PRO A 83 -0.933 -7.051 -6.005 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.537 -7.844 -6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.170 -6.172 -6.179 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.568 -7.462 -8.872 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.165 -5.919 -8.292 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -1.973 -6.087 -9.899 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.128 -4.827 -8.692 1.00 0.00 H new ATOM 1274 N ARG A 84 -0.086 -9.281 -6.684 1.00 0.00 N ATOM 1275 CA ARG A 84 0.246 -10.694 -6.815 1.00 0.00 C ATOM 1276 C ARG A 84 0.142 -11.404 -5.468 1.00 0.00 C ATOM 1277 O ARG A 84 0.320 -10.792 -4.416 1.00 0.00 O ATOM 1278 CB ARG A 84 1.658 -10.857 -7.381 1.00 0.00 C ATOM 1279 CG ARG A 84 1.878 -12.179 -8.098 1.00 0.00 C ATOM 1280 CD ARG A 84 3.225 -12.214 -8.802 1.00 0.00 C ATOM 1281 NE ARG A 84 4.329 -12.388 -7.863 1.00 0.00 N ATOM 1282 CZ ARG A 84 4.911 -11.383 -7.219 1.00 0.00 C ATOM 1283 NH1 ARG A 84 4.496 -10.139 -7.411 1.00 0.00 N ATOM 1284 NH2 ARG A 84 5.911 -11.621 -6.380 1.00 0.00 N ATOM 0 H ARG A 84 0.635 -8.718 -6.233 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.469 -11.147 -7.502 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.859 -10.040 -8.074 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.379 -10.770 -6.568 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.820 -12.997 -7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.082 -12.336 -8.826 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.234 -13.028 -9.527 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.366 -11.289 -9.360 1.00 0.00 H new ATOM 0 HE ARG A 84 4.672 -13.333 -7.692 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.728 -9.951 -8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.945 -9.369 -6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.234 -12.577 -6.229 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.357 -10.848 -5.886 1.00 0.00 H new ATOM 1298 N GLY A 85 -0.149 -12.701 -5.510 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.272 -13.473 -4.287 1.00 0.00 C ATOM 1300 C GLY A 85 -1.675 -13.430 -3.714 1.00 0.00 C ATOM 1301 O GLY A 85 -2.177 -14.433 -3.204 1.00 0.00 O ATOM 0 H GLY A 85 -0.302 -13.230 -6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.005 -14.508 -4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.431 -13.091 -3.547 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.310 -12.266 -3.794 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.663 -12.095 -3.277 1.00 0.00 C ATOM 1307 C LEU A 86 -4.698 -12.321 -4.375 1.00 0.00 C ATOM 1308 O LEU A 86 -4.374 -12.294 -5.562 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.831 -10.695 -2.684 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.801 -10.285 -1.630 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.615 -8.776 -1.625 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -3.221 -10.778 -0.253 1.00 0.00 C ATOM 0 H LEU A 86 -1.909 -11.426 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.822 -12.836 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.797 -9.971 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.824 -10.627 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.847 -10.747 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.879 -8.503 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.267 -8.449 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.565 -8.293 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.476 -10.477 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.187 -10.346 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.301 -11.865 -0.265 1.00 0.00 H new ATOM 1324 N SER A 87 -5.944 -12.543 -3.970 1.00 0.00 N ATOM 1325 CA SER A 87 -7.027 -12.775 -4.919 1.00 0.00 C ATOM 1326 C SER A 87 -7.920 -11.544 -5.037 1.00 0.00 C ATOM 1327 O SER A 87 -7.798 -10.599 -4.257 1.00 0.00 O ATOM 1328 CB SER A 87 -7.860 -13.984 -4.489 1.00 0.00 C ATOM 1329 OG SER A 87 -8.878 -14.264 -5.433 1.00 0.00 O ATOM 0 H SER A 87 -6.229 -12.567 -2.991 1.00 0.00 H new ATOM 0 HA SER A 87 -6.585 -12.976 -5.895 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.213 -14.854 -4.378 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.307 -13.793 -3.513 1.00 0.00 H new ATOM 0 HG SER A 87 -9.395 -15.042 -5.136 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.816 -11.563 -6.017 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.731 -10.449 -6.238 1.00 0.00 C ATOM 1337 C ASP A 88 -10.506 -10.122 -4.965 1.00 0.00 C ATOM 1338 O ASP A 88 -10.780 -8.957 -4.676 1.00 0.00 O ATOM 1339 CB ASP A 88 -10.704 -10.778 -7.371 1.00 0.00 C ATOM 1340 CG ASP A 88 -10.027 -11.486 -8.528 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -8.849 -11.177 -8.806 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -10.675 -12.350 -9.155 1.00 0.00 O ATOM 0 H ASP A 88 -8.929 -12.337 -6.671 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.141 -9.576 -6.518 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.508 -11.405 -6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.163 -9.857 -7.731 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.857 -11.157 -4.209 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.602 -10.979 -2.968 1.00 0.00 C ATOM 1349 C GLU A 89 -10.742 -10.290 -1.912 1.00 0.00 C ATOM 1350 O GLU A 89 -11.226 -9.445 -1.159 1.00 0.00 O ATOM 1351 CB GLU A 89 -12.091 -12.330 -2.442 1.00 0.00 C ATOM 1352 CG GLU A 89 -10.966 -13.292 -2.096 1.00 0.00 C ATOM 1353 CD GLU A 89 -10.509 -13.162 -0.656 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -10.661 -12.063 -0.083 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -9.999 -14.158 -0.103 1.00 0.00 O ATOM 0 H GLU A 89 -10.638 -12.127 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.464 -10.346 -3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.703 -12.165 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.734 -12.791 -3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.299 -14.314 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.120 -13.110 -2.759 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.466 -10.658 -1.864 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.540 -10.077 -0.899 1.00 0.00 C ATOM 1364 C GLN A 90 -8.268 -8.611 -1.221 1.00 0.00 C ATOM 1365 O GLN A 90 -8.585 -7.723 -0.428 1.00 0.00 O ATOM 1366 CB GLN A 90 -7.226 -10.860 -0.886 1.00 0.00 C ATOM 1367 CG GLN A 90 -7.353 -12.251 -0.288 1.00 0.00 C ATOM 1368 CD GLN A 90 -6.045 -13.017 -0.309 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -5.189 -12.831 0.556 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -5.883 -13.886 -1.301 1.00 0.00 N ATOM 0 H GLN A 90 -9.050 -11.355 -2.481 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.999 -10.135 0.088 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.853 -10.945 -1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.483 -10.297 -0.321 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.705 -12.169 0.740 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.107 -12.812 -0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.619 -14.009 -1.997 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.023 -14.430 -1.367 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.680 -8.365 -2.386 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.368 -7.006 -2.812 1.00 0.00 C ATOM 1381 C ILE A 91 -8.488 -6.041 -2.438 1.00 0.00 C ATOM 1382 O ILE A 91 -8.254 -5.025 -1.783 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.128 -6.933 -4.332 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -5.935 -7.807 -4.724 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -6.900 -5.492 -4.763 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -5.970 -8.265 -6.166 1.00 0.00 C ATOM 0 H ILE A 91 -7.410 -9.089 -3.052 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.454 -6.716 -2.294 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.014 -7.309 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.014 -7.250 -4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.906 -8.681 -4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.732 -5.456 -5.839 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.777 -4.894 -4.513 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.028 -5.091 -4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.094 -8.880 -6.374 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.873 -8.849 -6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.967 -7.396 -6.824 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.706 -6.367 -2.859 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.865 -5.530 -2.566 1.00 0.00 C ATOM 1400 C HIS A 92 -11.010 -5.309 -1.064 1.00 0.00 C ATOM 1401 O HIS A 92 -11.337 -4.210 -0.615 1.00 0.00 O ATOM 1402 CB HIS A 92 -12.136 -6.169 -3.125 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.333 -5.270 -3.070 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -14.600 -5.722 -2.770 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -13.449 -3.938 -3.278 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -15.445 -4.706 -2.797 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -14.771 -3.612 -3.102 1.00 0.00 N ATOM 0 H HIS A 92 -9.916 -7.204 -3.403 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.714 -4.562 -3.044 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.960 -6.463 -4.160 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.350 -7.080 -2.567 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.650 -3.258 -3.535 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -16.506 -4.761 -2.603 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -15.168 -2.677 -3.192 1.00 0.00 H new ATOM 1416 N THR A 93 -10.765 -6.362 -0.289 1.00 0.00 N ATOM 1417 CA THR A 93 -10.871 -6.283 1.162 1.00 0.00 C ATOM 1418 C THR A 93 -9.886 -5.268 1.731 1.00 0.00 C ATOM 1419 O THR A 93 -10.235 -4.474 2.606 1.00 0.00 O ATOM 1420 CB THR A 93 -10.614 -7.653 1.819 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.616 -8.589 1.407 1.00 0.00 O ATOM 1422 CG2 THR A 93 -10.615 -7.535 3.336 1.00 0.00 C ATOM 0 H THR A 93 -10.492 -7.279 -0.643 1.00 0.00 H new ATOM 0 HA THR A 93 -11.889 -5.964 1.388 1.00 0.00 H new ATOM 0 HB THR A 93 -9.634 -8.007 1.499 1.00 0.00 H new ATOM 0 HG1 THR A 93 -11.398 -8.930 0.514 1.00 0.00 H new ATOM 0 HG21 THR A 93 -10.432 -8.515 3.777 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.832 -6.844 3.648 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.583 -7.161 3.671 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.657 -5.297 1.229 1.00 0.00 N ATOM 1431 CA ILE A 94 -7.623 -4.377 1.687 1.00 0.00 C ATOM 1432 C ILE A 94 -7.993 -2.932 1.368 1.00 0.00 C ATOM 1433 O ILE A 94 -7.469 -1.997 1.976 1.00 0.00 O ATOM 1434 CB ILE A 94 -6.259 -4.699 1.047 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.889 -6.163 1.294 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -5.184 -3.774 1.599 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.691 -6.626 0.494 1.00 0.00 C ATOM 0 H ILE A 94 -8.352 -5.948 0.505 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.546 -4.500 2.767 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.331 -4.539 -0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.684 -6.304 2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.745 -6.792 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.226 -4.013 1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.445 -2.739 1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.110 -3.906 2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.486 -7.673 0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.900 -6.518 -0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.823 -6.022 0.756 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.899 -2.756 0.413 1.00 0.00 N ATOM 1450 CA LEU A 95 -9.341 -1.425 0.014 1.00 0.00 C ATOM 1451 C LEU A 95 -10.439 -0.914 0.942 1.00 0.00 C ATOM 1452 O LEU A 95 -10.289 0.126 1.582 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.848 -1.445 -1.430 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.816 -1.810 -2.498 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.507 -2.229 -3.786 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.874 -0.642 -2.751 1.00 0.00 C ATOM 0 H LEU A 95 -9.342 -3.519 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.488 -0.751 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.674 -2.153 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.253 -0.461 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.228 -2.653 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.757 -2.485 -4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.139 -3.096 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.121 -1.407 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.147 -0.920 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.447 0.220 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.353 -0.388 -1.828 1.00 0.00 H new ATOM 1468 N GLN A 96 -11.540 -1.656 1.012 1.00 0.00 N ATOM 1469 CA GLN A 96 -12.661 -1.278 1.864 1.00 0.00 C ATOM 1470 C GLN A 96 -12.190 -0.975 3.282 1.00 0.00 C ATOM 1471 O GLN A 96 -12.775 -0.145 3.978 1.00 0.00 O ATOM 1472 CB GLN A 96 -13.708 -2.394 1.890 1.00 0.00 C ATOM 1473 CG GLN A 96 -13.293 -3.598 2.719 1.00 0.00 C ATOM 1474 CD GLN A 96 -14.479 -4.380 3.247 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -15.623 -3.933 3.154 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -14.213 -5.555 3.806 1.00 0.00 N ATOM 0 H GLN A 96 -11.679 -2.521 0.490 1.00 0.00 H new ATOM 0 HA GLN A 96 -13.111 -0.376 1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -14.642 -1.995 2.286 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.907 -2.718 0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -12.671 -4.255 2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -12.681 -3.264 3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -13.250 -5.887 3.862 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -14.972 -6.126 4.179 1.00 0.00 H new ATOM 1485 N VAL A 97 -11.127 -1.653 3.705 1.00 0.00 N ATOM 1486 CA VAL A 97 -10.576 -1.455 5.040 1.00 0.00 C ATOM 1487 C VAL A 97 -9.769 -0.164 5.116 1.00 0.00 C ATOM 1488 O VAL A 97 -10.197 0.813 5.732 1.00 0.00 O ATOM 1489 CB VAL A 97 -9.677 -2.635 5.457 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -8.843 -2.266 6.674 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -10.517 -3.873 5.731 1.00 0.00 C ATOM 0 H VAL A 97 -10.631 -2.344 3.142 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.422 -1.392 5.725 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.997 -2.860 4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.214 -3.111 6.954 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.213 -1.408 6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.503 -2.014 7.504 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.866 -4.697 6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -11.222 -3.664 6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.066 -4.147 4.830 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.600 -0.166 4.485 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.732 1.006 4.480 1.00 0.00 C ATOM 1503 C LEU A 98 -8.540 2.282 4.264 1.00 0.00 C ATOM 1504 O LEU A 98 -8.181 3.348 4.761 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.667 0.872 3.390 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.572 -0.164 3.645 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.805 -0.457 2.365 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.628 0.315 4.738 1.00 0.00 C ATOM 0 H LEU A 98 -8.232 -0.966 3.970 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.242 1.069 5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.164 0.622 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.194 1.844 3.251 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.044 -1.088 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.030 -1.196 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.490 -0.845 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.345 0.461 1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.855 -0.435 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.163 1.252 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.188 0.471 5.660 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.634 2.163 3.518 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.478 3.314 3.250 1.00 0.00 C ATOM 1522 C GLY A 99 -10.997 3.960 4.519 1.00 0.00 C ATOM 1523 O GLY A 99 -10.952 5.182 4.666 1.00 0.00 O ATOM 0 H GLY A 99 -9.951 1.291 3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.913 4.049 2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.321 3.006 2.631 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.493 3.139 5.440 1.00 0.00 N ATOM 1528 CA HIS A 100 -12.024 3.638 6.703 1.00 0.00 C ATOM 1529 C HIS A 100 -10.914 4.240 7.559 1.00 0.00 C ATOM 1530 O HIS A 100 -11.090 5.293 8.172 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.721 2.513 7.468 1.00 0.00 C ATOM 1532 CG HIS A 100 -11.809 1.757 8.384 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -11.291 2.296 9.542 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -11.325 0.495 8.308 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -10.525 1.399 10.139 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -10.529 0.297 9.410 1.00 0.00 N ATOM 0 H HIS A 100 -11.538 2.125 5.335 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.751 4.419 6.480 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.540 2.934 8.051 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -13.162 1.818 6.754 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.527 -0.223 7.527 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -9.988 1.542 11.065 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -10.023 -0.561 9.630 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.770 3.564 7.598 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.631 4.031 8.379 1.00 0.00 C ATOM 1547 C VAL A 101 -8.238 5.449 7.982 1.00 0.00 C ATOM 1548 O VAL A 101 -7.872 6.263 8.829 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.413 3.105 8.205 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -6.235 3.613 9.021 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.769 1.679 8.598 1.00 0.00 C ATOM 0 H VAL A 101 -9.608 2.690 7.097 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.939 4.021 9.425 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.123 3.107 7.154 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.384 2.946 8.885 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.967 4.616 8.688 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.509 3.642 10.076 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.897 1.038 8.469 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.085 1.657 9.641 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.581 1.319 7.966 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.317 5.739 6.687 1.00 0.00 N ATOM 1562 CA ALA A 102 -7.971 7.060 6.178 1.00 0.00 C ATOM 1563 C ALA A 102 -8.751 8.150 6.905 1.00 0.00 C ATOM 1564 O ALA A 102 -8.166 9.034 7.531 1.00 0.00 O ATOM 1565 CB ALA A 102 -8.230 7.133 4.680 1.00 0.00 C ATOM 0 H ALA A 102 -8.618 5.077 5.972 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.909 7.226 6.361 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.967 8.125 4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.624 6.385 4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.285 6.941 4.483 1.00 0.00 H new ATOM 1571 N LYS A 103 -10.075 8.083 6.817 1.00 0.00 N ATOM 1572 CA LYS A 103 -10.937 9.063 7.466 1.00 0.00 C ATOM 1573 C LYS A 103 -10.611 9.174 8.952 1.00 0.00 C ATOM 1574 O LYS A 103 -10.644 10.262 9.525 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.408 8.681 7.283 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.819 8.525 5.829 1.00 0.00 C ATOM 1577 CD LYS A 103 -14.090 7.705 5.694 1.00 0.00 C ATOM 1578 CE LYS A 103 -14.707 7.856 4.312 1.00 0.00 C ATOM 1579 NZ LYS A 103 -15.837 6.908 4.102 1.00 0.00 N ATOM 0 H LYS A 103 -10.575 7.359 6.301 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.759 10.032 6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.600 7.746 7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.033 9.443 7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.971 9.509 5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.014 8.045 5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.868 6.654 5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.809 8.019 6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.062 8.878 4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.944 7.685 3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.230 7.042 3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.494 5.931 4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.577 7.088 4.810 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.296 8.040 9.570 1.00 0.00 N ATOM 1594 CA ALA A 104 -9.960 8.011 10.989 1.00 0.00 C ATOM 1595 C ALA A 104 -8.721 8.852 11.277 1.00 0.00 C ATOM 1596 O ALA A 104 -8.434 9.178 12.428 1.00 0.00 O ATOM 1597 CB ALA A 104 -9.747 6.577 11.451 1.00 0.00 C ATOM 0 H ALA A 104 -10.266 7.130 9.111 1.00 0.00 H new ATOM 0 HA ALA A 104 -10.794 8.440 11.544 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.497 6.570 12.512 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.660 6.003 11.290 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.932 6.129 10.883 1.00 0.00 H new ATOM 1603 N GLY A 105 -7.989 9.200 10.223 1.00 0.00 N ATOM 1604 CA GLY A 105 -6.789 9.999 10.385 1.00 0.00 C ATOM 1605 C GLY A 105 -6.842 11.293 9.596 1.00 0.00 C ATOM 1606 O GLY A 105 -5.817 11.779 9.117 1.00 0.00 O ATOM 0 H GLY A 105 -8.206 8.943 9.260 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.648 10.227 11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.924 9.418 10.066 1.00 0.00 H new ATOM 1610 N LEU A 106 -8.040 11.851 9.459 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.224 13.095 8.721 1.00 0.00 C ATOM 1612 C LEU A 106 -7.845 14.298 9.579 1.00 0.00 C ATOM 1613 O LEU A 106 -7.908 14.243 10.806 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.675 13.224 8.254 1.00 0.00 C ATOM 1615 CG LEU A 106 -9.992 12.638 6.877 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.495 12.560 6.663 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.337 13.467 5.781 1.00 0.00 C ATOM 0 H LEU A 106 -8.898 11.461 9.849 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.569 13.072 7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.317 12.739 8.990 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.941 14.281 8.247 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.587 11.627 6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.701 12.141 5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.939 11.924 7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.924 13.560 6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.573 13.036 4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.712 14.490 5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.256 13.470 5.924 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.453 15.387 8.923 1.00 0.00 N ATOM 1630 CA GLY A 107 -7.072 16.589 9.641 1.00 0.00 C ATOM 1631 C GLY A 107 -5.578 16.669 9.886 1.00 0.00 C ATOM 1632 O GLY A 107 -5.034 17.751 10.104 1.00 0.00 O ATOM 0 H GLY A 107 -7.393 15.458 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.391 17.464 9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.596 16.619 10.596 1.00 0.00 H new ATOM 1636 N THR A 108 -4.912 15.518 9.853 1.00 0.00 N ATOM 1637 CA THR A 108 -3.473 15.462 10.076 1.00 0.00 C ATOM 1638 C THR A 108 -2.842 14.309 9.304 1.00 0.00 C ATOM 1639 O THR A 108 -3.541 13.511 8.680 1.00 0.00 O ATOM 1640 CB THR A 108 -3.142 15.306 11.572 1.00 0.00 C ATOM 1641 OG1 THR A 108 -3.910 14.236 12.134 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.430 16.594 12.328 1.00 0.00 C ATOM 0 H THR A 108 -5.347 14.613 9.674 1.00 0.00 H new ATOM 0 HA THR A 108 -3.060 16.405 9.717 1.00 0.00 H new ATOM 0 HB THR A 108 -2.080 15.079 11.664 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.693 14.142 13.085 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.188 16.459 13.382 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.823 17.401 11.917 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.485 16.847 12.227 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.516 14.226 9.353 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.792 13.168 8.660 1.00 0.00 C ATOM 1652 C ALA A 109 -1.431 11.807 8.914 1.00 0.00 C ATOM 1653 O ALA A 109 -1.725 11.452 10.056 1.00 0.00 O ATOM 1654 CB ALA A 109 0.667 13.157 9.093 1.00 0.00 C ATOM 0 H ALA A 109 -0.922 14.878 9.865 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.841 13.369 7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.196 12.362 8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.125 14.117 8.854 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.726 12.984 10.168 1.00 0.00 H new ATOM 1660 N MET A 110 -1.645 11.049 7.844 1.00 0.00 N ATOM 1661 CA MET A 110 -2.249 9.727 7.952 1.00 0.00 C ATOM 1662 C MET A 110 -1.439 8.693 7.176 1.00 0.00 C ATOM 1663 O MET A 110 -1.371 7.525 7.562 1.00 0.00 O ATOM 1664 CB MET A 110 -3.689 9.756 7.434 1.00 0.00 C ATOM 1665 CG MET A 110 -3.864 10.590 6.175 1.00 0.00 C ATOM 1666 SD MET A 110 -5.506 10.417 5.451 1.00 0.00 S ATOM 1667 CE MET A 110 -6.309 11.892 6.074 1.00 0.00 C ATOM 0 H MET A 110 -1.409 11.328 6.892 1.00 0.00 H new ATOM 0 HA MET A 110 -2.254 9.443 9.004 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.015 8.736 7.232 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.340 10.150 8.215 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.684 11.639 6.411 1.00 0.00 H new ATOM 0 HG3 MET A 110 -3.114 10.295 5.441 1.00 0.00 H new ATOM 0 HE1 MET A 110 -7.266 11.624 6.522 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.675 12.361 6.826 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.475 12.590 5.253 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.825 9.129 6.082 1.00 0.00 N ATOM 1678 CA LEU A 111 -0.019 8.241 5.251 1.00 0.00 C ATOM 1679 C LEU A 111 0.698 7.200 6.105 1.00 0.00 C ATOM 1680 O LEU A 111 0.635 6.003 5.824 1.00 0.00 O ATOM 1681 CB LEU A 111 1.002 9.049 4.448 1.00 0.00 C ATOM 1682 CG LEU A 111 0.430 10.130 3.530 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.550 10.920 2.873 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.477 9.510 2.477 1.00 0.00 C ATOM 0 H LEU A 111 -0.870 10.092 5.749 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.686 7.723 4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.692 9.522 5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.587 8.357 3.841 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.164 10.816 4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.124 11.684 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.159 11.395 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.172 10.247 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.875 10.294 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.094 8.802 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.300 8.990 2.967 1.00 0.00 H new ATOM 1696 N TYR A 112 1.377 7.663 7.148 1.00 0.00 N ATOM 1697 CA TYR A 112 2.106 6.772 8.043 1.00 0.00 C ATOM 1698 C TYR A 112 1.202 5.654 8.553 1.00 0.00 C ATOM 1699 O TYR A 112 1.505 4.473 8.390 1.00 0.00 O ATOM 1700 CB TYR A 112 2.681 7.557 9.222 1.00 0.00 C ATOM 1701 CG TYR A 112 3.583 6.736 10.115 1.00 0.00 C ATOM 1702 CD1 TYR A 112 4.912 6.513 9.776 1.00 0.00 C ATOM 1703 CD2 TYR A 112 3.106 6.181 11.296 1.00 0.00 C ATOM 1704 CE1 TYR A 112 5.740 5.763 10.588 1.00 0.00 C ATOM 1705 CE2 TYR A 112 3.928 5.430 12.115 1.00 0.00 C ATOM 1706 CZ TYR A 112 5.243 5.224 11.757 1.00 0.00 C ATOM 1707 OH TYR A 112 6.064 4.475 12.569 1.00 0.00 O ATOM 0 H TYR A 112 1.438 8.651 7.395 1.00 0.00 H new ATOM 0 HA TYR A 112 2.925 6.324 7.481 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.241 8.411 8.840 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.859 7.955 9.817 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.304 6.933 8.862 1.00 0.00 H new ATOM 0 HD2 TYR A 112 2.076 6.339 11.579 1.00 0.00 H new ATOM 0 HE1 TYR A 112 6.771 5.599 10.310 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.542 5.007 13.031 1.00 0.00 H new ATOM 0 HH TYR A 112 5.560 4.170 13.352 1.00 0.00 H new ATOM 1717 N GLU A 113 0.089 6.038 9.173 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.859 5.068 9.708 1.00 0.00 C ATOM 1719 C GLU A 113 -1.239 4.037 8.649 1.00 0.00 C ATOM 1720 O GLU A 113 -0.956 2.847 8.794 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.115 5.778 10.218 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.032 6.187 11.679 1.00 0.00 C ATOM 1723 CD GLU A 113 -1.054 7.322 11.913 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -1.341 8.454 11.471 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -0.001 7.078 12.539 1.00 0.00 O ATOM 0 H GLU A 113 -0.177 7.012 9.317 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.380 4.550 10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.292 6.665 9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.974 5.121 10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -3.021 6.488 12.025 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.733 5.326 12.277 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.884 4.502 7.584 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.304 3.621 6.500 1.00 0.00 C ATOM 1734 C LEU A 114 -1.258 2.543 6.238 1.00 0.00 C ATOM 1735 O LEU A 114 -1.570 1.351 6.225 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.550 4.430 5.225 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.777 5.342 5.235 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.614 6.467 4.225 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -5.038 4.541 4.944 1.00 0.00 C ATOM 0 H LEU A 114 -2.127 5.483 7.448 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.233 3.135 6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.669 5.042 5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.645 3.735 4.391 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.871 5.783 6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.497 7.106 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.733 7.057 4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.495 6.045 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.902 5.206 4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.953 4.072 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.163 3.771 5.705 1.00 0.00 H new ATOM 1751 N ILE A 115 -0.016 2.968 6.030 1.00 0.00 N ATOM 1752 CA ILE A 115 1.076 2.038 5.772 1.00 0.00 C ATOM 1753 C ILE A 115 1.142 0.956 6.844 1.00 0.00 C ATOM 1754 O ILE A 115 1.144 -0.236 6.537 1.00 0.00 O ATOM 1755 CB ILE A 115 2.432 2.766 5.709 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.410 3.838 4.618 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.556 1.771 5.460 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.460 4.911 4.803 1.00 0.00 C ATOM 0 H ILE A 115 0.259 3.950 6.035 1.00 0.00 H new ATOM 0 HA ILE A 115 0.875 1.576 4.805 1.00 0.00 H new ATOM 0 HB ILE A 115 2.611 3.254 6.667 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.556 3.361 3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.425 4.305 4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.508 2.300 5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.582 1.041 6.269 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.384 1.257 4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.385 5.637 3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.302 5.414 5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.451 4.456 4.792 1.00 0.00 H new ATOM 1770 N GLU A 116 1.193 1.380 8.103 1.00 0.00 N ATOM 1771 CA GLU A 116 1.258 0.446 9.221 1.00 0.00 C ATOM 1772 C GLU A 116 0.128 -0.577 9.141 1.00 0.00 C ATOM 1773 O GLU A 116 0.347 -1.777 9.311 1.00 0.00 O ATOM 1774 CB GLU A 116 1.185 1.200 10.550 1.00 0.00 C ATOM 1775 CG GLU A 116 2.428 2.019 10.854 1.00 0.00 C ATOM 1776 CD GLU A 116 3.502 1.210 11.555 1.00 0.00 C ATOM 1777 OE1 GLU A 116 3.991 0.230 10.955 1.00 0.00 O ATOM 1778 OE2 GLU A 116 3.854 1.557 12.701 1.00 0.00 O ATOM 0 H GLU A 116 1.191 2.363 8.374 1.00 0.00 H new ATOM 0 HA GLU A 116 2.209 -0.083 9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.319 1.862 10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.026 0.484 11.356 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.830 2.421 9.924 1.00 0.00 H new ATOM 0 HG3 GLU A 116 2.154 2.870 11.477 1.00 0.00 H new ATOM 1785 N LYS A 117 -1.082 -0.094 8.883 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.248 -0.964 8.779 1.00 0.00 C ATOM 1787 C LYS A 117 -2.072 -1.978 7.654 1.00 0.00 C ATOM 1788 O LYS A 117 -2.182 -3.184 7.869 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.510 -0.133 8.539 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.796 -0.934 8.650 1.00 0.00 C ATOM 1791 CD LYS A 117 -5.022 -1.432 10.067 1.00 0.00 C ATOM 1792 CE LYS A 117 -6.505 -1.569 10.380 1.00 0.00 C ATOM 1793 NZ LYS A 117 -6.757 -2.589 11.435 1.00 0.00 N ATOM 0 H LYS A 117 -1.281 0.896 8.742 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.351 -1.506 9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.538 0.685 9.258 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.456 0.316 7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.639 -0.315 8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.757 -1.783 7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.531 -2.396 10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.562 -0.742 10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -6.898 -0.606 10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.044 -1.844 9.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -7.779 -2.652 11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.405 -3.514 11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -6.264 -2.314 12.308 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.798 -1.479 6.452 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.610 -2.356 5.310 1.00 0.00 C ATOM 1809 C GLY A 118 -0.950 -3.667 5.689 1.00 0.00 C ATOM 1810 O GLY A 118 -1.469 -4.742 5.389 1.00 0.00 O ATOM 0 H GLY A 118 -1.703 -0.484 6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.576 -2.559 4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -1.000 -1.849 4.562 1.00 0.00 H new ATOM 1814 N LYS A 119 0.201 -3.579 6.347 1.00 0.00 N ATOM 1815 CA LYS A 119 0.935 -4.767 6.767 1.00 0.00 C ATOM 1816 C LYS A 119 0.047 -5.691 7.594 1.00 0.00 C ATOM 1817 O LYS A 119 -0.217 -6.827 7.201 1.00 0.00 O ATOM 1818 CB LYS A 119 2.170 -4.368 7.579 1.00 0.00 C ATOM 1819 CG LYS A 119 3.357 -3.965 6.722 1.00 0.00 C ATOM 1820 CD LYS A 119 4.501 -3.434 7.568 1.00 0.00 C ATOM 1821 CE LYS A 119 5.340 -2.423 6.801 1.00 0.00 C ATOM 1822 NZ LYS A 119 6.129 -3.067 5.715 1.00 0.00 N ATOM 0 H LYS A 119 0.646 -2.697 6.601 1.00 0.00 H new ATOM 0 HA LYS A 119 1.253 -5.302 5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 119 1.910 -3.539 8.237 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.460 -5.203 8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.699 -4.824 6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.048 -3.203 6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.102 -2.968 8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.132 -4.263 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.689 -1.661 6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 119 6.016 -1.916 7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.142 -2.890 5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.952 -4.092 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.845 -2.669 4.797 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.412 -5.196 8.739 1.00 0.00 N ATOM 1837 CA GLU A 120 -1.271 -5.979 9.620 1.00 0.00 C ATOM 1838 C GLU A 120 -2.255 -6.820 8.812 1.00 0.00 C ATOM 1839 O GLU A 120 -2.334 -8.037 8.984 1.00 0.00 O ATOM 1840 CB GLU A 120 -2.034 -5.058 10.575 1.00 0.00 C ATOM 1841 CG GLU A 120 -1.213 -4.608 11.771 1.00 0.00 C ATOM 1842 CD GLU A 120 -1.765 -3.352 12.417 1.00 0.00 C ATOM 1843 OE1 GLU A 120 -1.381 -2.245 11.984 1.00 0.00 O ATOM 1844 OE2 GLU A 120 -2.580 -3.475 13.356 1.00 0.00 O ATOM 0 H GLU A 120 -0.204 -4.257 9.078 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.638 -6.649 10.202 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.373 -4.179 10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.925 -5.575 10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.184 -5.409 12.509 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.185 -4.428 11.455 1.00 0.00 H new ATOM 1851 N ILE A 121 -3.003 -6.164 7.932 1.00 0.00 N ATOM 1852 CA ILE A 121 -3.981 -6.851 7.098 1.00 0.00 C ATOM 1853 C ILE A 121 -3.419 -8.161 6.557 1.00 0.00 C ATOM 1854 O ILE A 121 -4.102 -9.186 6.548 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.431 -5.971 5.917 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -5.077 -4.682 6.429 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.397 -6.736 5.024 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -5.253 -3.628 5.359 1.00 0.00 C ATOM 0 H ILE A 121 -2.951 -5.157 7.778 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.843 -7.063 7.731 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.554 -5.705 5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -6.051 -4.919 6.858 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.465 -4.273 7.233 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.706 -6.101 4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.905 -7.627 4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.273 -7.029 5.603 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.716 -2.742 5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.280 -3.363 4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.890 -4.018 4.565 1.00 0.00 H new ATOM 1870 N LEU A 122 -2.169 -8.121 6.108 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.513 -9.306 5.566 1.00 0.00 C ATOM 1872 C LEU A 122 -1.235 -10.325 6.667 1.00 0.00 C ATOM 1873 O LEU A 122 -1.385 -11.530 6.463 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.205 -8.917 4.874 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.340 -8.034 3.632 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.021 -7.512 3.199 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -1.004 -8.805 2.500 1.00 0.00 C ATOM 0 H LEU A 122 -1.590 -7.281 6.109 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.182 -9.760 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.425 -8.399 5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.319 -9.830 4.591 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.970 -7.181 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.906 -6.886 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.458 -6.924 4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.676 -8.352 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.092 -8.162 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.400 -9.677 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.996 -9.129 2.814 1.00 0.00 H new