USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 695 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 7 ASN : amide:sc= -14.7! C(o=-15!,f=-23!) USER MOD Single : A 8 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.024) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.627 K(o=-0.63,f=-1.4) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.335) USER MOD Single : A 24 THR OG1 : rot -45:sc= 0.0102 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0491 K(o=-0.049,f=-1.2) USER MOD Single : A 40 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-3.4!) USER MOD Single : A 42 ASN : amide:sc= -0.236 X(o=-0.24,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0776 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -108:sc= -0.515 (180deg=-2.5!) USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= -0.0472 (180deg=-0.27) USER MOD Single : A 59 LYS NZ :NH3+ -141:sc= 0.303 (180deg=-0.28!) USER MOD Single : A 63 ASN : amide:sc= -0.071 X(o=-0.071,f=-0.00062) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 75:sc= -0.939 USER MOD Single : A 72 THR OG1 : rot 69:sc= 0.242 USER MOD Single : A 74 CYS SG : rot 180:sc=-0.00941 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.0504 X(o=-0.05,f=-0.21) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.251 F(o=-0.93,f=-0.25) USER MOD Single : A 79 ASN : amide:sc= -0.0154 K(o=-0.015,f=-0.87) USER MOD Single : A 80 MET CE :methyl -169:sc= -9! (180deg=-9.38!) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= -0.316 (180deg=-0.627) USER MOD Single : A 85 THR OG1 : rot -106:sc= -0.252 USER MOD ----------------------------------------------------------------- ATOM 168 N ASN A 7 -6.004 3.656 -9.172 1.00 0.00 N ATOM 169 CA ASN A 7 -5.758 2.920 -7.938 1.00 0.00 C ATOM 170 C ASN A 7 -4.696 1.845 -8.149 1.00 0.00 C ATOM 171 O ASN A 7 -4.377 1.489 -9.283 1.00 0.00 O ATOM 172 CB ASN A 7 -7.054 2.280 -7.435 1.00 0.00 C ATOM 173 CG ASN A 7 -7.102 2.185 -5.921 1.00 0.00 C ATOM 174 OD1 ASN A 7 -7.188 3.200 -5.228 1.00 0.00 O ATOM 175 ND2 ASN A 7 -7.048 0.964 -5.403 1.00 0.00 N ATOM 0 HA ASN A 7 -5.394 3.624 -7.190 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.905 2.864 -7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.153 1.282 -7.862 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.077 0.837 -4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.977 0.152 -6.017 1.00 0.00 H new ATOM 182 N GLN A 8 -4.152 1.334 -7.049 1.00 0.00 N ATOM 183 CA GLN A 8 -3.126 0.301 -7.114 1.00 0.00 C ATOM 184 C GLN A 8 -3.677 -1.045 -6.655 1.00 0.00 C ATOM 185 O GLN A 8 -4.617 -1.105 -5.861 1.00 0.00 O ATOM 186 CB GLN A 8 -1.923 0.693 -6.254 1.00 0.00 C ATOM 187 CG GLN A 8 -0.867 1.485 -7.008 1.00 0.00 C ATOM 188 CD GLN A 8 0.183 0.597 -7.647 1.00 0.00 C ATOM 189 OE1 GLN A 8 0.400 0.645 -8.858 1.00 0.00 O ATOM 190 NE2 GLN A 8 0.843 -0.219 -6.834 1.00 0.00 N ATOM 0 H GLN A 8 -4.405 1.619 -6.103 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.807 0.207 -8.152 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.270 1.283 -5.406 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.467 -0.210 -5.849 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.350 2.084 -7.780 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.382 2.180 -6.323 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.631 -0.226 -5.836 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.562 -0.839 -7.207 1.00 0.00 H new ATOM 199 N THR A 9 -3.088 -2.124 -7.160 1.00 0.00 N ATOM 200 CA THR A 9 -3.521 -3.469 -6.803 1.00 0.00 C ATOM 201 C THR A 9 -2.335 -4.347 -6.425 1.00 0.00 C ATOM 202 O THR A 9 -1.198 -4.072 -6.809 1.00 0.00 O ATOM 203 CB THR A 9 -4.292 -4.136 -7.958 1.00 0.00 C ATOM 204 OG1 THR A 9 -3.505 -4.103 -9.155 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.620 -3.436 -8.200 1.00 0.00 C ATOM 0 H THR A 9 -2.309 -2.093 -7.818 1.00 0.00 H new ATOM 0 HA THR A 9 -4.184 -3.369 -5.943 1.00 0.00 H new ATOM 0 HB THR A 9 -4.491 -5.171 -7.681 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.001 -4.530 -9.884 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.145 -3.926 -9.020 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.228 -3.488 -7.297 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.440 -2.392 -8.457 1.00 0.00 H new ATOM 213 N VAL A 10 -2.605 -5.407 -5.669 1.00 0.00 N ATOM 214 CA VAL A 10 -1.559 -6.328 -5.240 1.00 0.00 C ATOM 215 C VAL A 10 -1.851 -7.748 -5.708 1.00 0.00 C ATOM 216 O VAL A 10 -3.009 -8.150 -5.821 1.00 0.00 O ATOM 217 CB VAL A 10 -1.403 -6.325 -3.707 1.00 0.00 C ATOM 218 CG1 VAL A 10 -0.048 -6.889 -3.307 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.589 -4.920 -3.156 1.00 0.00 C ATOM 0 H VAL A 10 -3.540 -5.649 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.629 -5.984 -5.693 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.176 -6.964 -3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.044 -6.879 -2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.041 -7.913 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.743 -6.280 -3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.476 -4.936 -2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.840 -4.257 -3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.585 -4.558 -3.411 1.00 0.00 H new ATOM 229 N ASP A 11 -0.794 -8.505 -5.980 1.00 0.00 N ATOM 230 CA ASP A 11 -0.936 -9.883 -6.435 1.00 0.00 C ATOM 231 C ASP A 11 -0.485 -10.862 -5.355 1.00 0.00 C ATOM 232 O ASP A 11 0.580 -10.696 -4.759 1.00 0.00 O ATOM 233 CB ASP A 11 -0.126 -10.107 -7.712 1.00 0.00 C ATOM 234 CG ASP A 11 -0.417 -11.449 -8.355 1.00 0.00 C ATOM 235 OD1 ASP A 11 -1.607 -11.812 -8.455 1.00 0.00 O ATOM 236 OD2 ASP A 11 0.544 -12.136 -8.757 1.00 0.00 O ATOM 0 H ASP A 11 0.171 -8.187 -5.893 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.990 -10.062 -6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.347 -9.311 -8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.937 -10.041 -7.481 1.00 0.00 H new ATOM 241 N ILE A 12 -1.303 -11.878 -5.106 1.00 0.00 N ATOM 242 CA ILE A 12 -0.988 -12.883 -4.097 1.00 0.00 C ATOM 243 C ILE A 12 -0.946 -14.280 -4.706 1.00 0.00 C ATOM 244 O ILE A 12 -1.779 -14.648 -5.535 1.00 0.00 O ATOM 245 CB ILE A 12 -2.013 -12.867 -2.947 1.00 0.00 C ATOM 246 CG1 ILE A 12 -2.023 -11.498 -2.264 1.00 0.00 C ATOM 247 CG2 ILE A 12 -1.697 -13.964 -1.942 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.260 -11.248 -1.429 1.00 0.00 C ATOM 0 H ILE A 12 -2.189 -12.028 -5.589 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.004 -12.633 -3.700 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.004 -13.054 -3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.142 -11.412 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.945 -10.721 -3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.430 -13.940 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.735 -14.934 -2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.700 -13.805 -1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.199 -10.259 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.144 -11.302 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.329 -12.003 -0.646 1.00 0.00 H new ATOM 260 N PRO A 13 0.045 -15.080 -4.286 1.00 0.00 N ATOM 261 CA PRO A 13 0.217 -16.450 -4.775 1.00 0.00 C ATOM 262 C PRO A 13 -0.879 -17.386 -4.279 1.00 0.00 C ATOM 263 O PRO A 13 -1.831 -16.952 -3.631 1.00 0.00 O ATOM 264 CB PRO A 13 1.574 -16.864 -4.200 1.00 0.00 C ATOM 265 CG PRO A 13 1.747 -16.015 -2.989 1.00 0.00 C ATOM 266 CD PRO A 13 1.074 -14.707 -3.301 1.00 0.00 C ATOM 0 HA PRO A 13 0.164 -16.503 -5.862 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.590 -17.924 -3.946 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.376 -16.697 -4.919 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.298 -16.486 -2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.803 -15.867 -2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.634 -14.259 -2.410 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.777 -13.981 -3.709 1.00 0.00 H new ATOM 274 N GLU A 14 -0.740 -18.672 -4.588 1.00 0.00 N ATOM 275 CA GLU A 14 -1.720 -19.668 -4.171 1.00 0.00 C ATOM 276 C GLU A 14 -1.225 -20.442 -2.953 1.00 0.00 C ATOM 277 O GLU A 14 -1.996 -21.136 -2.291 1.00 0.00 O ATOM 278 CB GLU A 14 -2.015 -20.636 -5.319 1.00 0.00 C ATOM 279 CG GLU A 14 -0.811 -21.462 -5.743 1.00 0.00 C ATOM 280 CD GLU A 14 -0.609 -22.686 -4.871 1.00 0.00 C ATOM 281 OE1 GLU A 14 -1.615 -23.242 -4.383 1.00 0.00 O ATOM 282 OE2 GLU A 14 0.557 -23.088 -4.677 1.00 0.00 O ATOM 0 H GLU A 14 0.041 -19.048 -5.125 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.638 -19.146 -3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.819 -21.308 -5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.377 -20.069 -6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.936 -21.775 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.084 -20.841 -5.704 1.00 0.00 H new ATOM 289 N ASN A 15 0.065 -20.317 -2.664 1.00 0.00 N ATOM 290 CA ASN A 15 0.663 -21.005 -1.525 1.00 0.00 C ATOM 291 C ASN A 15 0.580 -20.148 -0.266 1.00 0.00 C ATOM 292 O ASN A 15 1.196 -20.462 0.753 1.00 0.00 O ATOM 293 CB ASN A 15 2.123 -21.353 -1.823 1.00 0.00 C ATOM 294 CG ASN A 15 2.707 -22.316 -0.808 1.00 0.00 C ATOM 295 OD1 ASN A 15 1.996 -23.152 -0.248 1.00 0.00 O ATOM 296 ND2 ASN A 15 4.008 -22.205 -0.565 1.00 0.00 N ATOM 0 H ASN A 15 0.717 -19.746 -3.202 1.00 0.00 H new ATOM 0 HA ASN A 15 0.104 -21.925 -1.354 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.193 -21.792 -2.818 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.716 -20.439 -1.835 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.456 -22.827 0.108 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.559 -21.498 -1.052 1.00 0.00 H new ATOM 303 N VAL A 16 -0.186 -19.064 -0.343 1.00 0.00 N ATOM 304 CA VAL A 16 -0.352 -18.162 0.790 1.00 0.00 C ATOM 305 C VAL A 16 -1.797 -17.692 0.911 1.00 0.00 C ATOM 306 O VAL A 16 -2.484 -17.498 -0.093 1.00 0.00 O ATOM 307 CB VAL A 16 0.568 -16.933 0.668 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.570 -16.138 1.965 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.980 -17.360 0.292 1.00 0.00 C ATOM 0 H VAL A 16 -0.702 -18.789 -1.179 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.080 -18.723 1.684 1.00 0.00 H new ATOM 0 HB VAL A 16 0.185 -16.290 -0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.225 -15.273 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.443 -15.801 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.929 -16.769 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.617 -16.479 0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.376 -18.024 1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.959 -17.883 -0.664 1.00 0.00 H new ATOM 319 N ASP A 17 -2.253 -17.510 2.145 1.00 0.00 N ATOM 320 CA ASP A 17 -3.617 -17.060 2.398 1.00 0.00 C ATOM 321 C ASP A 17 -3.621 -15.738 3.158 1.00 0.00 C ATOM 322 O ASP A 17 -2.996 -15.614 4.212 1.00 0.00 O ATOM 323 CB ASP A 17 -4.388 -18.119 3.188 1.00 0.00 C ATOM 324 CG ASP A 17 -5.036 -19.154 2.290 1.00 0.00 C ATOM 325 OD1 ASP A 17 -5.884 -18.770 1.458 1.00 0.00 O ATOM 326 OD2 ASP A 17 -4.696 -20.349 2.420 1.00 0.00 O ATOM 0 H ASP A 17 -1.698 -17.667 2.986 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.107 -16.907 1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.709 -18.617 3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.156 -17.632 3.789 1.00 0.00 H new ATOM 331 N ILE A 18 -4.327 -14.752 2.615 1.00 0.00 N ATOM 332 CA ILE A 18 -4.413 -13.439 3.242 1.00 0.00 C ATOM 333 C ILE A 18 -5.857 -13.077 3.568 1.00 0.00 C ATOM 334 O ILE A 18 -6.713 -13.030 2.683 1.00 0.00 O ATOM 335 CB ILE A 18 -3.812 -12.344 2.339 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.293 -12.504 2.250 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.176 -10.964 2.868 1.00 0.00 C ATOM 338 CD1 ILE A 18 -1.856 -13.611 1.317 1.00 0.00 C ATOM 0 H ILE A 18 -4.848 -14.838 1.742 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.838 -13.493 4.167 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.228 -12.449 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.856 -11.564 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.898 -12.702 3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.745 -10.201 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.260 -10.855 2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.784 -10.846 3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.768 -13.667 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.264 -14.561 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.221 -13.404 0.311 1.00 0.00 H new ATOM 350 N THR A 19 -6.124 -12.820 4.845 1.00 0.00 N ATOM 351 CA THR A 19 -7.465 -12.461 5.288 1.00 0.00 C ATOM 352 C THR A 19 -7.574 -10.965 5.555 1.00 0.00 C ATOM 353 O THR A 19 -6.805 -10.406 6.340 1.00 0.00 O ATOM 354 CB THR A 19 -7.859 -13.230 6.564 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.630 -14.631 6.382 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.321 -12.991 6.911 1.00 0.00 C ATOM 0 H THR A 19 -5.429 -12.854 5.590 1.00 0.00 H new ATOM 0 HA THR A 19 -8.148 -12.733 4.483 1.00 0.00 H new ATOM 0 HB THR A 19 -7.243 -12.865 7.386 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.881 -15.112 7.198 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.575 -13.544 7.815 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.486 -11.927 7.078 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.950 -13.331 6.089 1.00 0.00 H new ATOM 364 N LEU A 20 -8.534 -10.320 4.902 1.00 0.00 N ATOM 365 CA LEU A 20 -8.745 -8.886 5.069 1.00 0.00 C ATOM 366 C LEU A 20 -9.962 -8.614 5.948 1.00 0.00 C ATOM 367 O LEU A 20 -11.077 -9.026 5.627 1.00 0.00 O ATOM 368 CB LEU A 20 -8.923 -8.214 3.708 1.00 0.00 C ATOM 369 CG LEU A 20 -7.822 -8.478 2.679 1.00 0.00 C ATOM 370 CD1 LEU A 20 -8.264 -8.026 1.295 1.00 0.00 C ATOM 371 CD2 LEU A 20 -6.535 -7.775 3.086 1.00 0.00 C ATOM 0 H LEU A 20 -9.179 -10.768 4.251 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.865 -8.469 5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.873 -8.541 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.997 -7.138 3.864 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.633 -9.551 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.468 -8.222 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.160 -8.574 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.482 -6.958 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.762 -7.973 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.711 -6.701 3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.209 -8.147 4.057 1.00 0.00 H new ATOM 383 N LYS A 21 -9.741 -7.915 7.056 1.00 0.00 N ATOM 384 CA LYS A 21 -10.819 -7.583 7.979 1.00 0.00 C ATOM 385 C LYS A 21 -10.882 -6.080 8.224 1.00 0.00 C ATOM 386 O LYS A 21 -10.137 -5.542 9.042 1.00 0.00 O ATOM 387 CB LYS A 21 -10.626 -8.320 9.307 1.00 0.00 C ATOM 388 CG LYS A 21 -11.193 -9.728 9.310 1.00 0.00 C ATOM 389 CD LYS A 21 -10.583 -10.573 10.416 1.00 0.00 C ATOM 390 CE LYS A 21 -11.359 -10.430 11.717 1.00 0.00 C ATOM 391 NZ LYS A 21 -10.899 -9.257 12.511 1.00 0.00 N ATOM 0 H LYS A 21 -8.824 -7.567 7.337 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.760 -7.899 7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.561 -8.366 9.536 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.099 -7.745 10.104 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.275 -9.685 9.438 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.005 -10.199 8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.570 -11.619 10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.547 -10.275 10.574 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.421 -10.325 11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.244 -11.337 12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.142 -9.399 13.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.868 -9.156 12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.365 -8.396 12.160 1.00 0.00 H new ATOM 405 N GLY A 22 -11.780 -5.405 7.511 1.00 0.00 N ATOM 406 CA GLY A 22 -11.925 -3.970 7.666 1.00 0.00 C ATOM 407 C GLY A 22 -10.673 -3.214 7.266 1.00 0.00 C ATOM 408 O GLY A 22 -10.378 -3.073 6.080 1.00 0.00 O ATOM 0 H GLY A 22 -12.409 -5.828 6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.763 -3.625 7.060 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.167 -3.742 8.704 1.00 0.00 H new ATOM 412 N ARG A 23 -9.936 -2.724 8.258 1.00 0.00 N ATOM 413 CA ARG A 23 -8.711 -1.976 8.003 1.00 0.00 C ATOM 414 C ARG A 23 -7.487 -2.764 8.463 1.00 0.00 C ATOM 415 O ARG A 23 -6.412 -2.198 8.666 1.00 0.00 O ATOM 416 CB ARG A 23 -8.757 -0.623 8.714 1.00 0.00 C ATOM 417 CG ARG A 23 -9.718 0.367 8.076 1.00 0.00 C ATOM 418 CD ARG A 23 -9.035 1.191 6.995 1.00 0.00 C ATOM 419 NE ARG A 23 -9.984 1.688 6.003 1.00 0.00 N ATOM 420 CZ ARG A 23 -10.515 0.929 5.050 1.00 0.00 C ATOM 421 NH1 ARG A 23 -10.190 -0.352 4.960 1.00 0.00 N ATOM 422 NH2 ARG A 23 -11.372 1.454 4.183 1.00 0.00 N ATOM 0 H ARG A 23 -10.166 -2.832 9.246 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.633 -1.811 6.928 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.045 -0.778 9.754 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.756 -0.192 8.722 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.563 -0.171 7.646 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.119 1.031 8.842 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.517 2.033 7.454 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.278 0.583 6.500 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.254 2.671 6.044 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.530 -0.759 5.623 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.599 -0.932 4.227 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.623 2.440 4.248 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.779 0.871 3.452 1.00 0.00 H new ATOM 436 N THR A 24 -7.658 -4.071 8.627 1.00 0.00 N ATOM 437 CA THR A 24 -6.570 -4.936 9.065 1.00 0.00 C ATOM 438 C THR A 24 -6.273 -6.014 8.029 1.00 0.00 C ATOM 439 O THR A 24 -7.175 -6.719 7.577 1.00 0.00 O ATOM 440 CB THR A 24 -6.895 -5.609 10.412 1.00 0.00 C ATOM 441 OG1 THR A 24 -7.181 -4.615 11.401 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.734 -6.474 10.878 1.00 0.00 C ATOM 0 H THR A 24 -8.541 -4.555 8.463 1.00 0.00 H new ATOM 0 HA THR A 24 -5.692 -4.302 9.187 1.00 0.00 H new ATOM 0 HB THR A 24 -7.770 -6.245 10.273 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.513 -3.900 11.349 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.986 -6.939 11.831 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.537 -7.249 10.137 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.845 -5.855 11.000 1.00 0.00 H new ATOM 450 N VAL A 25 -5.003 -6.135 7.657 1.00 0.00 N ATOM 451 CA VAL A 25 -4.586 -7.129 6.674 1.00 0.00 C ATOM 452 C VAL A 25 -3.824 -8.272 7.338 1.00 0.00 C ATOM 453 O VAL A 25 -2.759 -8.065 7.919 1.00 0.00 O ATOM 454 CB VAL A 25 -3.699 -6.503 5.582 1.00 0.00 C ATOM 455 CG1 VAL A 25 -3.219 -7.567 4.608 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.454 -5.401 4.852 1.00 0.00 C ATOM 0 H VAL A 25 -4.245 -5.558 8.021 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.494 -7.519 6.214 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.824 -6.060 6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.594 -7.105 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.640 -8.318 5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.079 -8.042 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.813 -4.969 4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.347 -5.818 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.743 -4.626 5.562 1.00 0.00 H new ATOM 466 N ILE A 26 -4.378 -9.476 7.246 1.00 0.00 N ATOM 467 CA ILE A 26 -3.750 -10.652 7.836 1.00 0.00 C ATOM 468 C ILE A 26 -3.152 -11.553 6.761 1.00 0.00 C ATOM 469 O ILE A 26 -3.805 -11.869 5.765 1.00 0.00 O ATOM 470 CB ILE A 26 -4.754 -11.467 8.671 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.313 -10.614 9.812 1.00 0.00 C ATOM 472 CG2 ILE A 26 -4.092 -12.724 9.218 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.612 -11.140 10.381 1.00 0.00 C ATOM 0 H ILE A 26 -5.260 -9.663 6.769 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.955 -10.291 8.489 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.581 -11.766 8.027 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.572 -10.559 10.610 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.469 -9.597 9.452 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.815 -13.289 9.806 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.738 -13.338 8.390 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.249 -12.446 9.850 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.949 -10.485 11.185 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.368 -11.169 9.596 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.457 -12.145 10.772 1.00 0.00 H new ATOM 485 N VAL A 27 -1.905 -11.966 6.968 1.00 0.00 N ATOM 486 CA VAL A 27 -1.219 -12.832 6.019 1.00 0.00 C ATOM 487 C VAL A 27 -0.790 -14.139 6.679 1.00 0.00 C ATOM 488 O VAL A 27 -0.223 -14.139 7.771 1.00 0.00 O ATOM 489 CB VAL A 27 0.022 -12.141 5.422 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.725 -13.063 4.437 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.369 -10.832 4.753 1.00 0.00 C ATOM 0 H VAL A 27 -1.350 -11.714 7.786 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.927 -13.046 5.218 1.00 0.00 H new ATOM 0 HB VAL A 27 0.717 -11.917 6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.599 -12.558 4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.039 -13.972 4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.041 -13.321 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.519 -10.357 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.083 -11.031 3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.824 -10.169 5.489 1.00 0.00 H new ATOM 501 N LYS A 28 -1.064 -15.252 6.006 1.00 0.00 N ATOM 502 CA LYS A 28 -0.706 -16.566 6.525 1.00 0.00 C ATOM 503 C LYS A 28 0.127 -17.344 5.510 1.00 0.00 C ATOM 504 O LYS A 28 -0.272 -17.502 4.357 1.00 0.00 O ATOM 505 CB LYS A 28 -1.966 -17.359 6.878 1.00 0.00 C ATOM 506 CG LYS A 28 -1.762 -18.358 8.003 1.00 0.00 C ATOM 507 CD LYS A 28 -3.039 -19.119 8.314 1.00 0.00 C ATOM 508 CE LYS A 28 -2.946 -19.846 9.647 1.00 0.00 C ATOM 509 NZ LYS A 28 -2.182 -21.119 9.532 1.00 0.00 N ATOM 0 H LYS A 28 -1.533 -15.270 5.100 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.110 -16.422 7.426 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.756 -16.663 7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.311 -17.890 5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.977 -19.062 7.727 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.422 -17.835 8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.880 -18.426 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.237 -19.838 7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.465 -19.199 10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.950 -20.057 10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.141 -21.584 10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.654 -21.747 8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.216 -20.916 9.204 1.00 0.00 H new ATOM 523 N GLY A 29 1.285 -17.827 5.947 1.00 0.00 N ATOM 524 CA GLY A 29 2.155 -18.582 5.065 1.00 0.00 C ATOM 525 C GLY A 29 2.643 -19.872 5.695 1.00 0.00 C ATOM 526 O GLY A 29 2.555 -20.067 6.908 1.00 0.00 O ATOM 0 H GLY A 29 1.637 -17.709 6.897 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.621 -18.811 4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.013 -17.967 4.793 1.00 0.00 H new ATOM 530 N PRO A 30 3.169 -20.780 4.861 1.00 0.00 N ATOM 531 CA PRO A 30 3.681 -22.075 5.322 1.00 0.00 C ATOM 532 C PRO A 30 4.963 -21.935 6.135 1.00 0.00 C ATOM 533 O PRO A 30 5.555 -22.929 6.554 1.00 0.00 O ATOM 534 CB PRO A 30 3.954 -22.832 4.019 1.00 0.00 C ATOM 535 CG PRO A 30 4.184 -21.768 3.003 1.00 0.00 C ATOM 536 CD PRO A 30 3.304 -20.615 3.404 1.00 0.00 C ATOM 0 HA PRO A 30 2.978 -22.579 5.985 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.823 -23.483 4.114 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.110 -23.465 3.745 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.232 -21.470 2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.932 -22.122 2.003 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.756 -19.657 3.148 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.336 -20.655 2.904 1.00 0.00 H new ATOM 544 N ARG A 31 5.387 -20.694 6.353 1.00 0.00 N ATOM 545 CA ARG A 31 6.600 -20.424 7.116 1.00 0.00 C ATOM 546 C ARG A 31 6.292 -19.576 8.346 1.00 0.00 C ATOM 547 O ARG A 31 7.157 -19.354 9.193 1.00 0.00 O ATOM 548 CB ARG A 31 7.632 -19.714 6.238 1.00 0.00 C ATOM 549 CG ARG A 31 7.724 -20.277 4.830 1.00 0.00 C ATOM 550 CD ARG A 31 8.721 -21.423 4.751 1.00 0.00 C ATOM 551 NE ARG A 31 8.110 -22.703 5.100 1.00 0.00 N ATOM 552 CZ ARG A 31 8.774 -23.853 5.119 1.00 0.00 C ATOM 553 NH1 ARG A 31 10.063 -23.883 4.811 1.00 0.00 N ATOM 554 NH2 ARG A 31 8.149 -24.977 5.447 1.00 0.00 N ATOM 0 H ARG A 31 4.909 -19.860 6.012 1.00 0.00 H new ATOM 0 HA ARG A 31 7.010 -21.378 7.448 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.381 -18.655 6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.611 -19.784 6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.742 -20.626 4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.021 -19.487 4.140 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.130 -21.479 3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.556 -21.224 5.423 1.00 0.00 H new ATOM 0 HE ARG A 31 7.119 -22.714 5.342 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.547 -23.021 4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.571 -24.768 4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.157 -24.958 5.685 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.660 -25.859 5.461 1.00 0.00 H new ATOM 568 N GLY A 32 5.053 -19.102 8.437 1.00 0.00 N ATOM 569 CA GLY A 32 4.653 -18.282 9.565 1.00 0.00 C ATOM 570 C GLY A 32 3.431 -17.437 9.263 1.00 0.00 C ATOM 571 O GLY A 32 2.914 -17.455 8.146 1.00 0.00 O ATOM 0 H GLY A 32 4.319 -19.272 7.749 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.445 -18.924 10.421 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.480 -17.631 9.848 1.00 0.00 H new ATOM 575 N THR A 33 2.966 -16.693 10.263 1.00 0.00 N ATOM 576 CA THR A 33 1.796 -15.839 10.100 1.00 0.00 C ATOM 577 C THR A 33 2.116 -14.393 10.465 1.00 0.00 C ATOM 578 O THR A 33 2.605 -14.113 11.560 1.00 0.00 O ATOM 579 CB THR A 33 0.620 -16.328 10.965 1.00 0.00 C ATOM 580 OG1 THR A 33 0.386 -17.722 10.734 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.644 -15.538 10.657 1.00 0.00 C ATOM 0 H THR A 33 3.382 -16.665 11.194 1.00 0.00 H new ATOM 0 HA THR A 33 1.510 -15.890 9.049 1.00 0.00 H new ATOM 0 HB THR A 33 0.880 -16.173 12.012 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.362 -18.025 11.290 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.461 -15.901 11.280 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.472 -14.482 10.864 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.905 -15.664 9.606 1.00 0.00 H new ATOM 589 N LEU A 34 1.834 -13.480 9.544 1.00 0.00 N ATOM 590 CA LEU A 34 2.091 -12.062 9.769 1.00 0.00 C ATOM 591 C LEU A 34 0.871 -11.223 9.403 1.00 0.00 C ATOM 592 O LEU A 34 0.243 -11.441 8.368 1.00 0.00 O ATOM 593 CB LEU A 34 3.301 -11.606 8.952 1.00 0.00 C ATOM 594 CG LEU A 34 4.537 -12.504 9.024 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.546 -12.109 7.957 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.165 -12.436 10.408 1.00 0.00 C ATOM 0 H LEU A 34 1.427 -13.696 8.634 1.00 0.00 H new ATOM 0 HA LEU A 34 2.302 -11.920 10.829 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.998 -11.521 7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.583 -10.607 9.284 1.00 0.00 H new ATOM 0 HG LEU A 34 4.228 -13.533 8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.419 -12.759 8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.092 -12.211 6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.852 -11.074 8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.043 -13.081 10.441 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.461 -11.409 10.623 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.442 -12.769 11.152 1.00 0.00 H new ATOM 608 N ARG A 35 0.542 -10.261 10.260 1.00 0.00 N ATOM 609 CA ARG A 35 -0.602 -9.388 10.027 1.00 0.00 C ATOM 610 C ARG A 35 -0.264 -7.943 10.378 1.00 0.00 C ATOM 611 O ARG A 35 0.602 -7.683 11.214 1.00 0.00 O ATOM 612 CB ARG A 35 -1.803 -9.857 10.850 1.00 0.00 C ATOM 613 CG ARG A 35 -1.639 -9.641 12.346 1.00 0.00 C ATOM 614 CD ARG A 35 -2.834 -10.174 13.121 1.00 0.00 C ATOM 615 NE ARG A 35 -2.675 -9.995 14.561 1.00 0.00 N ATOM 616 CZ ARG A 35 -3.469 -10.563 15.463 1.00 0.00 C ATOM 617 NH1 ARG A 35 -4.471 -11.339 15.075 1.00 0.00 N ATOM 618 NH2 ARG A 35 -3.261 -10.352 16.756 1.00 0.00 N ATOM 0 H ARG A 35 1.052 -10.067 11.122 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.855 -9.436 8.968 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.694 -9.328 10.511 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.970 -10.917 10.661 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.731 -10.137 12.689 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.517 -8.577 12.550 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.738 -9.663 12.790 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.967 -11.233 12.900 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.914 -9.402 14.893 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.635 -11.502 14.081 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.078 -11.773 15.770 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.492 -9.754 17.058 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.870 -10.788 17.448 1.00 0.00 H new ATOM 632 N ARG A 36 -0.951 -7.006 9.733 1.00 0.00 N ATOM 633 CA ARG A 36 -0.723 -5.586 9.976 1.00 0.00 C ATOM 634 C ARG A 36 -2.045 -4.833 10.081 1.00 0.00 C ATOM 635 O ARG A 36 -2.981 -5.092 9.324 1.00 0.00 O ATOM 636 CB ARG A 36 0.131 -4.987 8.856 1.00 0.00 C ATOM 637 CG ARG A 36 0.777 -3.662 9.226 1.00 0.00 C ATOM 638 CD ARG A 36 2.002 -3.865 10.103 1.00 0.00 C ATOM 639 NE ARG A 36 2.828 -2.663 10.177 1.00 0.00 N ATOM 640 CZ ARG A 36 2.455 -1.553 10.804 1.00 0.00 C ATOM 641 NH1 ARG A 36 1.277 -1.493 11.409 1.00 0.00 N ATOM 642 NH2 ARG A 36 3.263 -0.500 10.828 1.00 0.00 N ATOM 0 H ARG A 36 -1.671 -7.204 9.038 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.192 -5.485 10.923 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.911 -5.699 8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.491 -4.844 7.973 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.062 -3.129 8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.053 -3.037 9.749 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.686 -4.150 11.107 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.597 -4.690 9.710 1.00 0.00 H new ATOM 0 HE ARG A 36 3.741 -2.677 9.722 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.654 -2.301 11.394 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.993 -0.639 11.890 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.171 -0.543 10.365 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.976 0.352 11.310 1.00 0.00 H new ATOM 656 N ASP A 37 -2.115 -3.900 11.024 1.00 0.00 N ATOM 657 CA ASP A 37 -3.323 -3.109 11.229 1.00 0.00 C ATOM 658 C ASP A 37 -3.091 -1.654 10.835 1.00 0.00 C ATOM 659 O ASP A 37 -2.158 -1.010 11.317 1.00 0.00 O ATOM 660 CB ASP A 37 -3.771 -3.190 12.688 1.00 0.00 C ATOM 661 CG ASP A 37 -4.805 -2.137 13.036 1.00 0.00 C ATOM 662 OD1 ASP A 37 -5.685 -1.869 12.193 1.00 0.00 O ATOM 663 OD2 ASP A 37 -4.734 -1.584 14.154 1.00 0.00 O ATOM 0 H ASP A 37 -1.349 -3.673 11.659 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.108 -3.519 10.594 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.184 -4.179 12.884 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.904 -3.073 13.338 1.00 0.00 H new ATOM 668 N PHE A 38 -3.944 -1.140 9.956 1.00 0.00 N ATOM 669 CA PHE A 38 -3.832 0.239 9.496 1.00 0.00 C ATOM 670 C PHE A 38 -5.110 1.019 9.794 1.00 0.00 C ATOM 671 O PHE A 38 -5.536 1.858 9.003 1.00 0.00 O ATOM 672 CB PHE A 38 -3.538 0.276 7.995 1.00 0.00 C ATOM 673 CG PHE A 38 -2.500 -0.721 7.563 1.00 0.00 C ATOM 674 CD1 PHE A 38 -1.153 -0.466 7.761 1.00 0.00 C ATOM 675 CD2 PHE A 38 -2.872 -1.911 6.961 1.00 0.00 C ATOM 676 CE1 PHE A 38 -0.196 -1.382 7.363 1.00 0.00 C ATOM 677 CE2 PHE A 38 -1.921 -2.830 6.562 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.581 -2.566 6.765 1.00 0.00 C ATOM 0 H PHE A 38 -4.722 -1.658 9.547 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.008 0.708 10.033 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.461 0.088 7.447 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.204 1.277 7.723 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.847 0.457 8.231 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.919 -2.123 6.801 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.852 -1.172 7.520 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.225 -3.754 6.092 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.165 -3.284 6.457 1.00 0.00 H new ATOM 688 N ASN A 39 -5.716 0.732 10.942 1.00 0.00 N ATOM 689 CA ASN A 39 -6.945 1.405 11.345 1.00 0.00 C ATOM 690 C ASN A 39 -6.683 2.872 11.668 1.00 0.00 C ATOM 691 O ASN A 39 -7.401 3.760 11.206 1.00 0.00 O ATOM 692 CB ASN A 39 -7.560 0.706 12.560 1.00 0.00 C ATOM 693 CG ASN A 39 -9.024 1.049 12.746 1.00 0.00 C ATOM 694 OD1 ASN A 39 -9.389 2.219 12.865 1.00 0.00 O ATOM 695 ND2 ASN A 39 -9.872 0.028 12.773 1.00 0.00 N ATOM 0 H ASN A 39 -5.376 0.039 11.609 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.646 1.355 10.512 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.454 -0.373 12.447 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.007 0.988 13.456 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.870 0.197 12.896 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.525 -0.926 12.670 1.00 0.00 H new ATOM 702 N HIS A 40 -5.648 3.121 12.465 1.00 0.00 N ATOM 703 CA HIS A 40 -5.289 4.482 12.849 1.00 0.00 C ATOM 704 C HIS A 40 -5.223 5.393 11.627 1.00 0.00 C ATOM 705 O HIS A 40 -5.337 6.613 11.743 1.00 0.00 O ATOM 706 CB HIS A 40 -3.945 4.490 13.579 1.00 0.00 C ATOM 707 CG HIS A 40 -2.865 3.748 12.853 1.00 0.00 C ATOM 708 ND1 HIS A 40 -2.793 2.372 12.816 1.00 0.00 N ATOM 709 CD2 HIS A 40 -1.811 4.197 12.134 1.00 0.00 C ATOM 710 CE1 HIS A 40 -1.741 2.006 12.106 1.00 0.00 C ATOM 711 NE2 HIS A 40 -1.128 3.096 11.680 1.00 0.00 N ATOM 0 H HIS A 40 -5.044 2.399 12.857 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.061 4.860 13.519 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.628 5.522 13.728 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.075 4.050 14.568 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.554 5.230 11.951 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.434 0.990 11.908 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.284 3.116 11.107 1.00 0.00 H new ATOM 719 N ILE A 41 -5.038 4.791 10.456 1.00 0.00 N ATOM 720 CA ILE A 41 -4.958 5.547 9.213 1.00 0.00 C ATOM 721 C ILE A 41 -6.266 5.467 8.434 1.00 0.00 C ATOM 722 O ILE A 41 -6.843 4.390 8.280 1.00 0.00 O ATOM 723 CB ILE A 41 -3.810 5.042 8.320 1.00 0.00 C ATOM 724 CG1 ILE A 41 -2.570 4.744 9.165 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.488 6.066 7.241 1.00 0.00 C ATOM 726 CD1 ILE A 41 -1.481 4.019 8.406 1.00 0.00 C ATOM 0 H ILE A 41 -4.941 3.782 10.343 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.765 6.584 9.487 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.127 4.119 7.835 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.170 5.681 9.551 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.863 4.143 10.026 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.674 5.694 6.618 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.370 6.234 6.624 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.188 7.004 7.708 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.633 3.841 9.067 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.864 3.065 8.042 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.160 4.627 7.560 1.00 0.00 H new ATOM 738 N ASN A 42 -6.729 6.613 7.945 1.00 0.00 N ATOM 739 CA ASN A 42 -7.969 6.671 7.181 1.00 0.00 C ATOM 740 C ASN A 42 -7.688 6.637 5.682 1.00 0.00 C ATOM 741 O ASN A 42 -7.294 7.642 5.090 1.00 0.00 O ATOM 742 CB ASN A 42 -8.751 7.938 7.534 1.00 0.00 C ATOM 743 CG ASN A 42 -9.378 7.864 8.914 1.00 0.00 C ATOM 744 OD1 ASN A 42 -10.600 7.783 9.050 1.00 0.00 O ATOM 745 ND2 ASN A 42 -8.543 7.894 9.946 1.00 0.00 N ATOM 0 H ASN A 42 -6.264 7.513 8.064 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.567 5.797 7.441 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.084 8.799 7.486 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.532 8.099 6.791 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.907 7.849 10.898 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.538 7.962 9.787 1.00 0.00 H new ATOM 752 N VAL A 43 -7.891 5.472 5.074 1.00 0.00 N ATOM 753 CA VAL A 43 -7.660 5.306 3.644 1.00 0.00 C ATOM 754 C VAL A 43 -8.756 4.461 3.005 1.00 0.00 C ATOM 755 O VAL A 43 -9.727 4.088 3.662 1.00 0.00 O ATOM 756 CB VAL A 43 -6.295 4.650 3.369 1.00 0.00 C ATOM 757 CG1 VAL A 43 -5.162 5.594 3.744 1.00 0.00 C ATOM 758 CG2 VAL A 43 -6.175 3.333 4.123 1.00 0.00 C ATOM 0 H VAL A 43 -8.215 4.630 5.550 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.671 6.303 3.204 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.221 4.440 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.205 5.112 3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.240 6.508 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.228 5.839 4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.204 2.883 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.270 3.516 5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.965 2.655 3.799 1.00 0.00 H new ATOM 768 N GLU A 44 -8.593 4.163 1.720 1.00 0.00 N ATOM 769 CA GLU A 44 -9.570 3.362 0.992 1.00 0.00 C ATOM 770 C GLU A 44 -8.957 2.042 0.532 1.00 0.00 C ATOM 771 O GLU A 44 -7.865 2.017 -0.037 1.00 0.00 O ATOM 772 CB GLU A 44 -10.102 4.138 -0.215 1.00 0.00 C ATOM 773 CG GLU A 44 -11.181 5.148 0.138 1.00 0.00 C ATOM 774 CD GLU A 44 -10.915 5.850 1.455 1.00 0.00 C ATOM 775 OE1 GLU A 44 -9.950 6.640 1.521 1.00 0.00 O ATOM 776 OE2 GLU A 44 -11.672 5.609 2.419 1.00 0.00 O ATOM 0 H GLU A 44 -7.794 4.464 1.162 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.397 3.143 1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.273 4.658 -0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.501 3.432 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.253 5.890 -0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.145 4.641 0.189 1.00 0.00 H new ATOM 783 N LEU A 45 -9.668 0.948 0.784 1.00 0.00 N ATOM 784 CA LEU A 45 -9.195 -0.376 0.397 1.00 0.00 C ATOM 785 C LEU A 45 -10.344 -1.237 -0.118 1.00 0.00 C ATOM 786 O LEU A 45 -11.499 -1.036 0.259 1.00 0.00 O ATOM 787 CB LEU A 45 -8.519 -1.065 1.584 1.00 0.00 C ATOM 788 CG LEU A 45 -7.518 -0.218 2.372 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.257 -0.834 3.737 1.00 0.00 C ATOM 790 CD2 LEU A 45 -6.219 -0.068 1.594 1.00 0.00 C ATOM 0 H LEU A 45 -10.573 0.952 1.254 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.469 -0.254 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.294 -1.407 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.004 -1.953 1.218 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.946 0.774 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.543 -0.218 4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.191 -0.889 4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.850 -1.837 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.518 0.537 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.786 -1.052 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.421 0.419 0.640 1.00 0.00 H new ATOM 802 N SER A 46 -10.020 -2.196 -0.979 1.00 0.00 N ATOM 803 CA SER A 46 -11.025 -3.086 -1.547 1.00 0.00 C ATOM 804 C SER A 46 -10.429 -4.458 -1.848 1.00 0.00 C ATOM 805 O SER A 46 -9.210 -4.613 -1.928 1.00 0.00 O ATOM 806 CB SER A 46 -11.611 -2.480 -2.824 1.00 0.00 C ATOM 807 OG SER A 46 -12.034 -1.145 -2.607 1.00 0.00 O ATOM 0 H SER A 46 -9.068 -2.377 -1.299 1.00 0.00 H new ATOM 0 HA SER A 46 -11.822 -3.209 -0.813 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.864 -2.504 -3.618 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.455 -3.082 -3.162 1.00 0.00 H new ATOM 0 HG SER A 46 -12.403 -0.780 -3.438 1.00 0.00 H new ATOM 813 N LEU A 47 -11.298 -5.449 -2.013 1.00 0.00 N ATOM 814 CA LEU A 47 -10.859 -6.810 -2.305 1.00 0.00 C ATOM 815 C LEU A 47 -11.168 -7.182 -3.751 1.00 0.00 C ATOM 816 O LEU A 47 -12.258 -6.907 -4.256 1.00 0.00 O ATOM 817 CB LEU A 47 -11.536 -7.800 -1.356 1.00 0.00 C ATOM 818 CG LEU A 47 -11.291 -9.281 -1.645 1.00 0.00 C ATOM 819 CD1 LEU A 47 -9.829 -9.635 -1.418 1.00 0.00 C ATOM 820 CD2 LEU A 47 -12.193 -10.150 -0.779 1.00 0.00 C ATOM 0 H LEU A 47 -12.310 -5.336 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.780 -6.857 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.199 -7.588 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.611 -7.619 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 47 -11.531 -9.472 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.674 -10.693 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.203 -9.038 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.561 -9.428 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -12.005 -11.201 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -11.984 -9.956 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.236 -9.916 -0.991 1.00 0.00 H new ATOM 832 N LEU A 48 -10.203 -7.811 -4.414 1.00 0.00 N ATOM 833 CA LEU A 48 -10.373 -8.225 -5.803 1.00 0.00 C ATOM 834 C LEU A 48 -9.970 -9.684 -5.989 1.00 0.00 C ATOM 835 O LEU A 48 -9.121 -10.202 -5.265 1.00 0.00 O ATOM 836 CB LEU A 48 -9.542 -7.332 -6.726 1.00 0.00 C ATOM 837 CG LEU A 48 -9.696 -5.825 -6.519 1.00 0.00 C ATOM 838 CD1 LEU A 48 -8.797 -5.060 -7.479 1.00 0.00 C ATOM 839 CD2 LEU A 48 -11.149 -5.408 -6.698 1.00 0.00 C ATOM 0 H LEU A 48 -9.295 -8.045 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.427 -8.123 -6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.491 -7.590 -6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.805 -7.566 -7.758 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.393 -5.584 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.920 -3.989 -7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.758 -5.337 -7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.069 -5.305 -8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.240 -4.332 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.479 -5.662 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.770 -5.930 -5.970 1.00 0.00 H new ATOM 851 N GLY A 49 -10.584 -10.341 -6.968 1.00 0.00 N ATOM 852 CA GLY A 49 -10.275 -11.735 -7.235 1.00 0.00 C ATOM 853 C GLY A 49 -10.595 -12.138 -8.660 1.00 0.00 C ATOM 854 O GLY A 49 -11.758 -12.345 -9.007 1.00 0.00 O ATOM 0 H GLY A 49 -11.290 -9.934 -7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.218 -11.913 -7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.837 -12.367 -6.547 1.00 0.00 H new ATOM 858 N LYS A 50 -9.562 -12.248 -9.488 1.00 0.00 N ATOM 859 CA LYS A 50 -9.739 -12.628 -10.885 1.00 0.00 C ATOM 860 C LYS A 50 -9.081 -13.975 -11.169 1.00 0.00 C ATOM 861 O LYS A 50 -9.598 -14.778 -11.946 1.00 0.00 O ATOM 862 CB LYS A 50 -9.149 -11.557 -11.805 1.00 0.00 C ATOM 863 CG LYS A 50 -7.880 -10.923 -11.264 1.00 0.00 C ATOM 864 CD LYS A 50 -8.186 -9.704 -10.410 1.00 0.00 C ATOM 865 CE LYS A 50 -8.245 -8.436 -11.248 1.00 0.00 C ATOM 866 NZ LYS A 50 -8.738 -7.272 -10.460 1.00 0.00 N ATOM 0 H LYS A 50 -8.593 -12.079 -9.216 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.808 -12.716 -11.079 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.937 -12.002 -12.777 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.894 -10.778 -11.966 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.331 -11.655 -10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.234 -10.635 -12.093 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.137 -9.847 -9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.422 -9.597 -9.640 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.253 -8.214 -11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.899 -8.597 -12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.764 -6.428 -11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.695 -7.473 -10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.100 -7.102 -9.656 1.00 0.00 H new ATOM 880 N LYS A 51 -7.940 -14.218 -10.534 1.00 0.00 N ATOM 881 CA LYS A 51 -7.213 -15.468 -10.715 1.00 0.00 C ATOM 882 C LYS A 51 -7.134 -16.246 -9.406 1.00 0.00 C ATOM 883 O LYS A 51 -7.585 -17.389 -9.322 1.00 0.00 O ATOM 884 CB LYS A 51 -5.803 -15.190 -11.242 1.00 0.00 C ATOM 885 CG LYS A 51 -5.225 -16.331 -12.062 1.00 0.00 C ATOM 886 CD LYS A 51 -3.843 -15.989 -12.595 1.00 0.00 C ATOM 887 CE LYS A 51 -3.298 -17.099 -13.482 1.00 0.00 C ATOM 888 NZ LYS A 51 -2.839 -18.270 -12.685 1.00 0.00 N ATOM 0 H LYS A 51 -7.498 -13.564 -9.888 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.754 -16.072 -11.444 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.824 -14.288 -11.854 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.142 -14.988 -10.399 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.167 -17.229 -11.447 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.892 -16.557 -12.894 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.890 -15.059 -13.161 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.162 -15.820 -11.761 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.070 -17.417 -14.182 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.468 -16.715 -14.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.475 -19.004 -13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.084 -17.973 -12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.637 -18.652 -12.138 1.00 0.00 H new ATOM 902 N LYS A 52 -6.559 -15.620 -8.384 1.00 0.00 N ATOM 903 CA LYS A 52 -6.422 -16.252 -7.078 1.00 0.00 C ATOM 904 C LYS A 52 -6.867 -15.305 -5.966 1.00 0.00 C ATOM 905 O LYS A 52 -7.938 -15.476 -5.384 1.00 0.00 O ATOM 906 CB LYS A 52 -4.973 -16.683 -6.844 1.00 0.00 C ATOM 907 CG LYS A 52 -4.597 -17.966 -7.565 1.00 0.00 C ATOM 908 CD LYS A 52 -3.089 -18.125 -7.672 1.00 0.00 C ATOM 909 CE LYS A 52 -2.513 -17.246 -8.771 1.00 0.00 C ATOM 910 NZ LYS A 52 -2.135 -15.898 -8.263 1.00 0.00 N ATOM 0 H LYS A 52 -6.180 -14.674 -8.436 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.063 -17.133 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.308 -15.884 -7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.810 -16.816 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.017 -18.820 -7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.035 -17.965 -8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.626 -17.868 -6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.845 -19.168 -7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.637 -17.731 -9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.245 -17.140 -9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.810 -15.191 -8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.153 -15.901 -7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.178 -15.659 -8.592 1.00 0.00 H new ATOM 924 N LYS A 53 -6.039 -14.308 -5.678 1.00 0.00 N ATOM 925 CA LYS A 53 -6.346 -13.332 -4.640 1.00 0.00 C ATOM 926 C LYS A 53 -5.531 -12.058 -4.831 1.00 0.00 C ATOM 927 O LYS A 53 -4.300 -12.097 -4.867 1.00 0.00 O ATOM 928 CB LYS A 53 -6.070 -13.925 -3.256 1.00 0.00 C ATOM 929 CG LYS A 53 -7.244 -14.693 -2.677 1.00 0.00 C ATOM 930 CD LYS A 53 -7.231 -14.671 -1.157 1.00 0.00 C ATOM 931 CE LYS A 53 -7.641 -13.309 -0.617 1.00 0.00 C ATOM 932 NZ LYS A 53 -9.115 -13.105 -0.687 1.00 0.00 N ATOM 0 H LYS A 53 -5.148 -14.154 -6.150 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.404 -13.079 -4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.208 -14.590 -3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.801 -13.120 -2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.177 -14.261 -3.040 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.213 -15.725 -3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.909 -15.434 -0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.233 -14.921 -0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.310 -13.214 0.417 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.139 -12.527 -1.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.374 -12.255 -0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.402 -12.984 -1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.600 -13.933 -0.285 1.00 0.00 H new ATOM 946 N ARG A 54 -6.224 -10.930 -4.953 1.00 0.00 N ATOM 947 CA ARG A 54 -5.562 -9.644 -5.140 1.00 0.00 C ATOM 948 C ARG A 54 -6.096 -8.609 -4.153 1.00 0.00 C ATOM 949 O ARG A 54 -7.263 -8.653 -3.762 1.00 0.00 O ATOM 950 CB ARG A 54 -5.762 -9.148 -6.573 1.00 0.00 C ATOM 951 CG ARG A 54 -4.863 -9.837 -7.586 1.00 0.00 C ATOM 952 CD ARG A 54 -4.526 -8.916 -8.748 1.00 0.00 C ATOM 953 NE ARG A 54 -3.850 -9.625 -9.831 1.00 0.00 N ATOM 954 CZ ARG A 54 -3.055 -9.033 -10.715 1.00 0.00 C ATOM 955 NH1 ARG A 54 -2.835 -7.727 -10.644 1.00 0.00 N ATOM 956 NH2 ARG A 54 -2.476 -9.747 -11.672 1.00 0.00 N ATOM 0 H ARG A 54 -7.242 -10.881 -4.926 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.497 -9.781 -4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.802 -9.301 -6.860 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.577 -8.074 -6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.944 -10.160 -7.098 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.356 -10.733 -7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.441 -8.462 -9.128 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.891 -8.104 -8.394 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.997 -10.631 -9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.277 -7.175 -9.909 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.224 -7.275 -11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.641 -10.752 -11.729 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.866 -9.291 -12.350 1.00 0.00 H new ATOM 970 N LEU A 55 -5.234 -7.681 -3.754 1.00 0.00 N ATOM 971 CA LEU A 55 -5.618 -6.635 -2.813 1.00 0.00 C ATOM 972 C LEU A 55 -5.607 -5.266 -3.485 1.00 0.00 C ATOM 973 O LEU A 55 -4.630 -4.890 -4.132 1.00 0.00 O ATOM 974 CB LEU A 55 -4.673 -6.632 -1.610 1.00 0.00 C ATOM 975 CG LEU A 55 -4.682 -5.366 -0.752 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.009 -5.222 -0.026 1.00 0.00 C ATOM 977 CD2 LEU A 55 -3.529 -5.387 0.241 1.00 0.00 C ATOM 0 H LEU A 55 -4.265 -7.631 -4.067 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.632 -6.843 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.925 -7.480 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.657 -6.795 -1.971 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.555 -4.505 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.996 -4.316 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.817 -5.161 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.167 -6.087 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.551 -4.479 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.625 -6.256 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.584 -5.441 -0.300 1.00 0.00 H new ATOM 989 N ARG A 56 -6.700 -4.525 -3.326 1.00 0.00 N ATOM 990 CA ARG A 56 -6.815 -3.197 -3.916 1.00 0.00 C ATOM 991 C ARG A 56 -6.428 -2.119 -2.909 1.00 0.00 C ATOM 992 O ARG A 56 -7.015 -2.021 -1.831 1.00 0.00 O ATOM 993 CB ARG A 56 -8.243 -2.959 -4.412 1.00 0.00 C ATOM 994 CG ARG A 56 -8.368 -1.781 -5.363 1.00 0.00 C ATOM 995 CD ARG A 56 -9.716 -1.773 -6.066 1.00 0.00 C ATOM 996 NE ARG A 56 -9.759 -0.806 -7.160 1.00 0.00 N ATOM 997 CZ ARG A 56 -9.845 0.506 -6.977 1.00 0.00 C ATOM 998 NH1 ARG A 56 -9.899 1.005 -5.750 1.00 0.00 N ATOM 999 NH2 ARG A 56 -9.878 1.322 -8.023 1.00 0.00 N ATOM 0 H ARG A 56 -7.518 -4.822 -2.794 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.130 -3.141 -4.762 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.599 -3.859 -4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.894 -2.793 -3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.239 -0.850 -4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.570 -1.824 -6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.928 -2.769 -6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.499 -1.539 -5.345 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.721 -1.158 -8.117 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.874 0.380 -4.944 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.965 2.013 -5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.837 0.941 -8.968 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.944 2.330 -7.882 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.435 -1.311 -3.267 1.00 0.00 N ATOM 1014 CA VAL A 57 -4.969 -0.238 -2.395 1.00 0.00 C ATOM 1015 C VAL A 57 -5.399 1.126 -2.925 1.00 0.00 C ATOM 1016 O VAL A 57 -5.076 1.494 -4.054 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.437 -0.260 -2.248 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -2.973 0.850 -1.316 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -2.970 -1.619 -1.747 1.00 0.00 C ATOM 0 H VAL A 57 -4.937 -1.379 -4.155 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.422 -0.404 -1.418 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.993 -0.087 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.887 0.818 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.275 1.816 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.424 0.712 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.884 -1.617 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.422 -1.824 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.269 -2.391 -2.456 1.00 0.00 H new ATOM 1029 N ASP A 58 -6.127 1.871 -2.101 1.00 0.00 N ATOM 1030 CA ASP A 58 -6.600 3.196 -2.486 1.00 0.00 C ATOM 1031 C ASP A 58 -6.320 4.213 -1.384 1.00 0.00 C ATOM 1032 O ASP A 58 -6.327 3.879 -0.200 1.00 0.00 O ATOM 1033 CB ASP A 58 -8.098 3.157 -2.793 1.00 0.00 C ATOM 1034 CG ASP A 58 -8.581 4.419 -3.483 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -8.136 5.517 -3.089 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -9.402 4.306 -4.417 1.00 0.00 O ATOM 0 H ASP A 58 -6.402 1.581 -1.163 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.062 3.501 -3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.314 2.296 -3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.653 3.019 -1.865 1.00 0.00 H new ATOM 1041 N LYS A 59 -6.072 5.457 -1.783 1.00 0.00 N ATOM 1042 CA LYS A 59 -5.789 6.524 -0.832 1.00 0.00 C ATOM 1043 C LYS A 59 -6.594 7.777 -1.164 1.00 0.00 C ATOM 1044 O LYS A 59 -7.202 7.870 -2.231 1.00 0.00 O ATOM 1045 CB LYS A 59 -4.295 6.850 -0.830 1.00 0.00 C ATOM 1046 CG LYS A 59 -3.759 7.241 0.537 1.00 0.00 C ATOM 1047 CD LYS A 59 -2.639 8.262 0.426 1.00 0.00 C ATOM 1048 CE LYS A 59 -2.401 8.974 1.750 1.00 0.00 C ATOM 1049 NZ LYS A 59 -3.274 10.171 1.900 1.00 0.00 N ATOM 0 H LYS A 59 -6.062 5.750 -2.760 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.080 6.179 0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.742 5.984 -1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.108 7.664 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.568 7.651 1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.393 6.353 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.722 7.765 0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.887 8.994 -0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.587 8.283 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.356 9.276 1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.737 10.938 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.600 10.483 0.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.096 9.930 2.490 1.00 0.00 H new ATOM 1063 N TRP A 60 -6.592 8.736 -0.246 1.00 0.00 N ATOM 1064 CA TRP A 60 -7.321 9.984 -0.442 1.00 0.00 C ATOM 1065 C TRP A 60 -7.195 10.466 -1.883 1.00 0.00 C ATOM 1066 O TRP A 60 -6.094 10.744 -2.360 1.00 0.00 O ATOM 1067 CB TRP A 60 -6.803 11.058 0.515 1.00 0.00 C ATOM 1068 CG TRP A 60 -7.033 10.727 1.958 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -6.347 9.819 2.711 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -8.020 11.303 2.822 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -6.848 9.794 3.991 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -7.874 10.696 4.085 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -9.011 12.273 2.652 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -8.682 11.028 5.168 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -9.813 12.601 3.729 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -9.645 11.981 4.974 1.00 0.00 C ATOM 0 H TRP A 60 -6.094 8.674 0.642 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.374 9.798 -0.231 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.735 11.199 0.348 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -7.290 12.006 0.285 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.530 9.209 2.354 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.510 9.200 4.748 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -9.148 12.758 1.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -8.554 10.550 6.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -10.583 13.349 3.609 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -10.287 12.260 5.796 1.00 0.00 H new ATOM 1087 N TRP A 61 -8.326 10.563 -2.572 1.00 0.00 N ATOM 1088 CA TRP A 61 -8.341 11.012 -3.960 1.00 0.00 C ATOM 1089 C TRP A 61 -7.984 12.492 -4.056 1.00 0.00 C ATOM 1090 O TRP A 61 -8.846 13.358 -3.911 1.00 0.00 O ATOM 1091 CB TRP A 61 -9.716 10.765 -4.583 1.00 0.00 C ATOM 1092 CG TRP A 61 -10.204 9.359 -4.404 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -9.469 8.213 -4.528 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -11.535 8.950 -4.071 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -10.265 7.118 -4.292 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -11.535 7.543 -4.008 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -12.726 9.635 -3.817 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -12.680 6.812 -3.704 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -13.862 8.909 -3.515 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -13.833 7.509 -3.460 1.00 0.00 C ATOM 0 H TRP A 61 -9.245 10.337 -2.192 1.00 0.00 H new ATOM 0 HA TRP A 61 -7.593 10.440 -4.510 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -10.437 11.452 -4.139 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -9.671 10.994 -5.648 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -8.418 8.174 -4.775 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -9.959 6.145 -4.323 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -12.758 10.714 -3.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -12.660 5.733 -3.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -14.788 9.429 -3.318 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -14.737 6.969 -3.221 1.00 0.00 H new ATOM 1111 N GLY A 62 -6.709 12.774 -4.303 1.00 0.00 N ATOM 1112 CA GLY A 62 -6.262 14.150 -4.415 1.00 0.00 C ATOM 1113 C GLY A 62 -4.912 14.268 -5.094 1.00 0.00 C ATOM 1114 O GLY A 62 -4.793 14.043 -6.297 1.00 0.00 O ATOM 0 H GLY A 62 -5.977 12.074 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.999 14.724 -4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.205 14.592 -3.420 1.00 0.00 H new ATOM 1118 N ASN A 63 -3.891 14.623 -4.319 1.00 0.00 N ATOM 1119 CA ASN A 63 -2.543 14.773 -4.854 1.00 0.00 C ATOM 1120 C ASN A 63 -1.941 13.414 -5.200 1.00 0.00 C ATOM 1121 O ASN A 63 -2.585 12.378 -5.034 1.00 0.00 O ATOM 1122 CB ASN A 63 -1.649 15.497 -3.845 1.00 0.00 C ATOM 1123 CG ASN A 63 -1.732 17.005 -3.976 1.00 0.00 C ATOM 1124 OD1 ASN A 63 -2.123 17.700 -3.038 1.00 0.00 O ATOM 1125 ND2 ASN A 63 -1.364 17.518 -5.143 1.00 0.00 N ATOM 0 H ASN A 63 -3.972 14.812 -3.320 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.605 15.366 -5.766 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.937 15.207 -2.835 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.616 15.179 -3.986 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.399 18.527 -5.290 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.046 16.904 -5.893 1.00 0.00 H new ATOM 1132 N ARG A 64 -0.702 13.427 -5.684 1.00 0.00 N ATOM 1133 CA ARG A 64 -0.014 12.197 -6.054 1.00 0.00 C ATOM 1134 C ARG A 64 0.674 11.573 -4.844 1.00 0.00 C ATOM 1135 O ARG A 64 1.684 10.881 -4.978 1.00 0.00 O ATOM 1136 CB ARG A 64 1.014 12.474 -7.152 1.00 0.00 C ATOM 1137 CG ARG A 64 0.394 12.717 -8.519 1.00 0.00 C ATOM 1138 CD ARG A 64 1.385 12.435 -9.638 1.00 0.00 C ATOM 1139 NE ARG A 64 1.373 11.030 -10.038 1.00 0.00 N ATOM 1140 CZ ARG A 64 2.341 10.460 -10.747 1.00 0.00 C ATOM 1141 NH1 ARG A 64 3.393 11.169 -11.131 1.00 0.00 N ATOM 1142 NH2 ARG A 64 2.258 9.176 -11.072 1.00 0.00 N ATOM 0 H ARG A 64 -0.155 14.276 -5.829 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.757 11.494 -6.430 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.607 13.344 -6.871 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.699 11.629 -7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.484 12.082 -8.640 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.052 13.750 -8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.147 13.059 -10.499 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.388 12.711 -9.312 1.00 0.00 H new ATOM 0 HE ARG A 64 0.578 10.455 -9.758 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.461 12.156 -10.882 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.134 10.728 -11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.451 8.627 -10.777 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.001 8.739 -11.616 1.00 0.00 H new ATOM 1156 N LYS A 65 0.122 11.824 -3.661 1.00 0.00 N ATOM 1157 CA LYS A 65 0.681 11.288 -2.426 1.00 0.00 C ATOM 1158 C LYS A 65 0.362 9.803 -2.283 1.00 0.00 C ATOM 1159 O LYS A 65 1.085 9.065 -1.616 1.00 0.00 O ATOM 1160 CB LYS A 65 0.137 12.055 -1.220 1.00 0.00 C ATOM 1161 CG LYS A 65 0.654 11.541 0.113 1.00 0.00 C ATOM 1162 CD LYS A 65 2.040 12.083 0.420 1.00 0.00 C ATOM 1163 CE LYS A 65 2.013 13.588 0.641 1.00 0.00 C ATOM 1164 NZ LYS A 65 3.283 14.082 1.245 1.00 0.00 N ATOM 0 H LYS A 65 -0.713 12.396 -3.532 1.00 0.00 H new ATOM 0 HA LYS A 65 1.764 11.407 -2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.401 13.108 -1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.951 11.997 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.035 11.830 0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.684 10.452 0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.436 11.591 1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.715 11.847 -0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.843 14.092 -0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.177 13.845 1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.226 15.112 1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.433 13.620 2.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.078 13.860 0.612 1.00 0.00 H new ATOM 1178 N GLU A 66 -0.727 9.373 -2.916 1.00 0.00 N ATOM 1179 CA GLU A 66 -1.141 7.976 -2.859 1.00 0.00 C ATOM 1180 C GLU A 66 -0.036 7.060 -3.377 1.00 0.00 C ATOM 1181 O GLU A 66 0.061 5.898 -2.979 1.00 0.00 O ATOM 1182 CB GLU A 66 -2.417 7.766 -3.675 1.00 0.00 C ATOM 1183 CG GLU A 66 -2.236 8.014 -5.163 1.00 0.00 C ATOM 1184 CD GLU A 66 -3.232 7.243 -6.009 1.00 0.00 C ATOM 1185 OE1 GLU A 66 -3.680 6.166 -5.563 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -3.563 7.718 -7.115 1.00 0.00 O ATOM 0 H GLU A 66 -1.337 9.972 -3.473 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.339 7.724 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.770 6.746 -3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.194 8.430 -3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.342 9.080 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.224 7.733 -5.454 1.00 0.00 H new ATOM 1193 N LEU A 67 0.795 7.590 -4.268 1.00 0.00 N ATOM 1194 CA LEU A 67 1.894 6.821 -4.843 1.00 0.00 C ATOM 1195 C LEU A 67 2.854 6.348 -3.756 1.00 0.00 C ATOM 1196 O LEU A 67 3.199 5.169 -3.689 1.00 0.00 O ATOM 1197 CB LEU A 67 2.647 7.662 -5.874 1.00 0.00 C ATOM 1198 CG LEU A 67 3.981 7.094 -6.359 1.00 0.00 C ATOM 1199 CD1 LEU A 67 3.753 6.026 -7.417 1.00 0.00 C ATOM 1200 CD2 LEU A 67 4.868 8.205 -6.902 1.00 0.00 C ATOM 0 H LEU A 67 0.729 8.549 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 67 1.473 5.945 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.000 7.805 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.829 8.648 -5.446 1.00 0.00 H new ATOM 0 HG LEU A 67 4.488 6.634 -5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.714 5.633 -7.750 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.157 5.217 -6.995 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.225 6.461 -8.265 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.813 7.782 -7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.368 8.695 -7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.060 8.935 -6.115 1.00 0.00 H new ATOM 1212 N ALA A 68 3.281 7.277 -2.906 1.00 0.00 N ATOM 1213 CA ALA A 68 4.198 6.954 -1.819 1.00 0.00 C ATOM 1214 C ALA A 68 3.516 6.093 -0.763 1.00 0.00 C ATOM 1215 O ALA A 68 4.096 5.128 -0.263 1.00 0.00 O ATOM 1216 CB ALA A 68 4.742 8.229 -1.193 1.00 0.00 C ATOM 0 H ALA A 68 3.007 8.258 -2.949 1.00 0.00 H new ATOM 0 HA ALA A 68 5.028 6.383 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.425 7.974 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.275 8.807 -1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.917 8.821 -0.798 1.00 0.00 H new ATOM 1222 N THR A 69 2.279 6.446 -0.426 1.00 0.00 N ATOM 1223 CA THR A 69 1.518 5.706 0.573 1.00 0.00 C ATOM 1224 C THR A 69 1.334 4.250 0.158 1.00 0.00 C ATOM 1225 O THR A 69 1.478 3.339 0.973 1.00 0.00 O ATOM 1226 CB THR A 69 0.133 6.339 0.808 1.00 0.00 C ATOM 1227 OG1 THR A 69 0.278 7.726 1.134 1.00 0.00 O ATOM 1228 CG2 THR A 69 -0.606 5.623 1.928 1.00 0.00 C ATOM 0 H THR A 69 1.783 7.240 -0.831 1.00 0.00 H new ATOM 0 HA THR A 69 2.091 5.748 1.500 1.00 0.00 H new ATOM 0 HB THR A 69 -0.448 6.241 -0.109 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.501 8.231 0.324 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.581 6.087 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.740 4.574 1.663 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.027 5.694 2.849 1.00 0.00 H new ATOM 1236 N VAL A 70 1.018 4.038 -1.116 1.00 0.00 N ATOM 1237 CA VAL A 70 0.816 2.693 -1.639 1.00 0.00 C ATOM 1238 C VAL A 70 2.120 1.903 -1.642 1.00 0.00 C ATOM 1239 O VAL A 70 2.135 0.708 -1.346 1.00 0.00 O ATOM 1240 CB VAL A 70 0.248 2.727 -3.071 1.00 0.00 C ATOM 1241 CG1 VAL A 70 0.421 1.376 -3.747 1.00 0.00 C ATOM 1242 CG2 VAL A 70 -1.217 3.139 -3.051 1.00 0.00 C ATOM 0 H VAL A 70 0.897 4.781 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 70 0.098 2.203 -0.982 1.00 0.00 H new ATOM 0 HB VAL A 70 0.803 3.467 -3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.014 1.420 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.481 1.125 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.108 0.613 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.603 3.158 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.788 2.423 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.310 4.131 -2.609 1.00 0.00 H new ATOM 1252 N ARG A 71 3.214 2.579 -1.977 1.00 0.00 N ATOM 1253 CA ARG A 71 4.525 1.941 -2.018 1.00 0.00 C ATOM 1254 C ARG A 71 4.897 1.377 -0.650 1.00 0.00 C ATOM 1255 O ARG A 71 5.469 0.291 -0.548 1.00 0.00 O ATOM 1256 CB ARG A 71 5.588 2.940 -2.476 1.00 0.00 C ATOM 1257 CG ARG A 71 5.414 3.396 -3.916 1.00 0.00 C ATOM 1258 CD ARG A 71 6.179 2.502 -4.880 1.00 0.00 C ATOM 1259 NE ARG A 71 7.539 2.980 -5.108 1.00 0.00 N ATOM 1260 CZ ARG A 71 8.451 2.301 -5.794 1.00 0.00 C ATOM 1261 NH1 ARG A 71 8.150 1.120 -6.316 1.00 0.00 N ATOM 1262 NH2 ARG A 71 9.669 2.802 -5.960 1.00 0.00 N ATOM 0 H ARG A 71 3.219 3.569 -2.224 1.00 0.00 H new ATOM 0 HA ARG A 71 4.479 1.118 -2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.561 3.812 -1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.573 2.487 -2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.355 3.390 -4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.762 4.424 -4.018 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.213 1.487 -4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.647 2.455 -5.830 1.00 0.00 H new ATOM 0 HE ARG A 71 7.803 3.885 -4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.216 0.730 -6.191 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.853 0.601 -6.842 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.906 3.710 -5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.368 2.279 -6.487 1.00 0.00 H new ATOM 1276 N THR A 72 4.572 2.123 0.402 1.00 0.00 N ATOM 1277 CA THR A 72 4.873 1.698 1.763 1.00 0.00 C ATOM 1278 C THR A 72 4.000 0.521 2.178 1.00 0.00 C ATOM 1279 O THR A 72 4.501 -0.498 2.657 1.00 0.00 O ATOM 1280 CB THR A 72 4.674 2.850 2.767 1.00 0.00 C ATOM 1281 OG1 THR A 72 5.391 4.010 2.330 1.00 0.00 O ATOM 1282 CG2 THR A 72 5.150 2.446 4.154 1.00 0.00 C ATOM 0 H THR A 72 4.100 3.025 0.337 1.00 0.00 H new ATOM 0 HA THR A 72 5.919 1.391 1.774 1.00 0.00 H new ATOM 0 HB THR A 72 3.610 3.079 2.818 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.971 4.368 1.520 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.000 3.275 4.846 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.582 1.580 4.496 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.210 2.193 4.116 1.00 0.00 H new ATOM 1290 N ILE A 73 2.692 0.666 1.992 1.00 0.00 N ATOM 1291 CA ILE A 73 1.749 -0.389 2.347 1.00 0.00 C ATOM 1292 C ILE A 73 2.025 -1.662 1.555 1.00 0.00 C ATOM 1293 O ILE A 73 2.068 -2.757 2.117 1.00 0.00 O ATOM 1294 CB ILE A 73 0.294 0.051 2.099 1.00 0.00 C ATOM 1295 CG1 ILE A 73 -0.036 1.291 2.933 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -0.665 -1.083 2.426 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -1.508 1.641 2.939 1.00 0.00 C ATOM 0 H ILE A 73 2.261 1.502 1.598 1.00 0.00 H new ATOM 0 HA ILE A 73 1.884 -0.589 3.410 1.00 0.00 H new ATOM 0 HB ILE A 73 0.181 0.304 1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.294 1.128 3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.529 2.139 2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.689 -0.757 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.441 -1.942 1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.553 -1.364 3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.668 2.530 3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.840 1.837 1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.078 0.809 3.353 1.00 0.00 H new ATOM 1309 N CYS A 74 2.213 -1.511 0.249 1.00 0.00 N ATOM 1310 CA CYS A 74 2.488 -2.649 -0.620 1.00 0.00 C ATOM 1311 C CYS A 74 3.752 -3.379 -0.179 1.00 0.00 C ATOM 1312 O CYS A 74 3.800 -4.609 -0.172 1.00 0.00 O ATOM 1313 CB CYS A 74 2.631 -2.187 -2.071 1.00 0.00 C ATOM 1314 SG CYS A 74 1.066 -2.080 -2.971 1.00 0.00 S ATOM 0 H CYS A 74 2.180 -0.612 -0.231 1.00 0.00 H new ATOM 0 HA CYS A 74 1.648 -3.340 -0.547 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.112 -1.209 -2.084 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.293 -2.875 -2.596 1.00 0.00 H new ATOM 0 HG CYS A 74 1.291 -1.679 -4.187 1.00 0.00 H new ATOM 1320 N SER A 75 4.774 -2.613 0.187 1.00 0.00 N ATOM 1321 CA SER A 75 6.042 -3.186 0.624 1.00 0.00 C ATOM 1322 C SER A 75 5.850 -4.031 1.881 1.00 0.00 C ATOM 1323 O SER A 75 6.449 -5.098 2.023 1.00 0.00 O ATOM 1324 CB SER A 75 7.062 -2.077 0.891 1.00 0.00 C ATOM 1325 OG SER A 75 8.268 -2.610 1.411 1.00 0.00 O ATOM 0 H SER A 75 4.749 -1.593 0.190 1.00 0.00 H new ATOM 0 HA SER A 75 6.417 -3.829 -0.172 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.268 -1.537 -0.033 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.645 -1.357 1.595 1.00 0.00 H new ATOM 0 HG SER A 75 8.905 -1.882 1.572 1.00 0.00 H new ATOM 1331 N HIS A 76 5.012 -3.546 2.790 1.00 0.00 N ATOM 1332 CA HIS A 76 4.740 -4.256 4.035 1.00 0.00 C ATOM 1333 C HIS A 76 4.064 -5.596 3.761 1.00 0.00 C ATOM 1334 O HIS A 76 4.500 -6.636 4.256 1.00 0.00 O ATOM 1335 CB HIS A 76 3.859 -3.405 4.950 1.00 0.00 C ATOM 1336 CG HIS A 76 4.607 -2.323 5.666 1.00 0.00 C ATOM 1337 ND1 HIS A 76 5.811 -2.536 6.305 1.00 0.00 N ATOM 1338 CD2 HIS A 76 4.317 -1.013 5.842 1.00 0.00 C ATOM 1339 CE1 HIS A 76 6.228 -1.405 6.843 1.00 0.00 C ATOM 1340 NE2 HIS A 76 5.340 -0.464 6.576 1.00 0.00 N ATOM 0 H HIS A 76 4.509 -2.664 2.689 1.00 0.00 H new ATOM 0 HA HIS A 76 5.692 -4.445 4.532 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.063 -2.954 4.357 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.381 -4.052 5.685 1.00 0.00 H new ATOM 0 HD2 HIS A 76 3.444 -0.495 5.474 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.140 -1.272 7.406 1.00 0.00 H new ATOM 0 HE2 HIS A 76 5.404 0.511 6.867 1.00 0.00 H new ATOM 1348 N VAL A 77 2.997 -5.563 2.969 1.00 0.00 N ATOM 1349 CA VAL A 77 2.261 -6.775 2.629 1.00 0.00 C ATOM 1350 C VAL A 77 3.154 -7.773 1.899 1.00 0.00 C ATOM 1351 O VAL A 77 3.200 -8.951 2.251 1.00 0.00 O ATOM 1352 CB VAL A 77 1.036 -6.460 1.750 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.275 -7.734 1.417 1.00 0.00 C ATOM 1354 CG2 VAL A 77 0.131 -5.452 2.440 1.00 0.00 C ATOM 0 H VAL A 77 2.623 -4.711 2.551 1.00 0.00 H new ATOM 0 HA VAL A 77 1.922 -7.214 3.567 1.00 0.00 H new ATOM 0 HB VAL A 77 1.384 -6.020 0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.587 -7.491 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.930 -8.419 0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.064 -8.207 2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.729 -5.241 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.211 -5.861 3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.684 -4.530 2.620 1.00 0.00 H new ATOM 1364 N GLN A 78 3.860 -7.292 0.881 1.00 0.00 N ATOM 1365 CA GLN A 78 4.752 -8.144 0.102 1.00 0.00 C ATOM 1366 C GLN A 78 5.852 -8.729 0.981 1.00 0.00 C ATOM 1367 O GLN A 78 6.182 -9.909 0.874 1.00 0.00 O ATOM 1368 CB GLN A 78 5.371 -7.349 -1.050 1.00 0.00 C ATOM 1369 CG GLN A 78 4.378 -6.990 -2.144 1.00 0.00 C ATOM 1370 CD GLN A 78 3.914 -8.200 -2.930 1.00 0.00 C ATOM 1371 OE1 GLN A 78 2.783 -8.768 -2.528 1.00 0.00 O flip ATOM 1372 NE2 GLN A 78 4.562 -8.619 -3.889 1.00 0.00 N flip ATOM 0 H GLN A 78 3.832 -6.319 0.576 1.00 0.00 H new ATOM 0 HA GLN A 78 4.164 -8.966 -0.307 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.810 -6.433 -0.654 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.184 -7.930 -1.485 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.514 -6.498 -1.698 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.837 -6.273 -2.825 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.426 -8.152 -4.164 1.00 0.00 H new ATOM 0 HE22 GLN A 78 4.235 -9.433 -4.409 1.00 0.00 H new ATOM 1381 N ASN A 79 6.417 -7.895 1.848 1.00 0.00 N ATOM 1382 CA ASN A 79 7.481 -8.331 2.745 1.00 0.00 C ATOM 1383 C ASN A 79 7.003 -9.463 3.647 1.00 0.00 C ATOM 1384 O ASN A 79 7.769 -10.363 3.989 1.00 0.00 O ATOM 1385 CB ASN A 79 7.970 -7.157 3.596 1.00 0.00 C ATOM 1386 CG ASN A 79 9.329 -7.420 4.217 1.00 0.00 C ATOM 1387 OD1 ASN A 79 10.200 -8.028 3.595 1.00 0.00 O ATOM 1388 ND2 ASN A 79 9.515 -6.961 5.450 1.00 0.00 N ATOM 0 H ASN A 79 6.156 -6.914 1.948 1.00 0.00 H new ATOM 0 HA ASN A 79 8.307 -8.700 2.137 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.023 -6.261 2.978 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.245 -6.957 4.385 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.409 -7.107 5.919 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.764 -6.462 5.927 1.00 0.00 H new ATOM 1395 N MET A 80 5.731 -9.411 4.030 1.00 0.00 N ATOM 1396 CA MET A 80 5.150 -10.434 4.891 1.00 0.00 C ATOM 1397 C MET A 80 5.024 -11.761 4.150 1.00 0.00 C ATOM 1398 O MET A 80 5.342 -12.820 4.695 1.00 0.00 O ATOM 1399 CB MET A 80 3.776 -9.987 5.395 1.00 0.00 C ATOM 1400 CG MET A 80 3.835 -8.801 6.345 1.00 0.00 C ATOM 1401 SD MET A 80 2.257 -7.937 6.473 1.00 0.00 S ATOM 1402 CE MET A 80 1.551 -8.733 7.914 1.00 0.00 C ATOM 0 H MET A 80 5.084 -8.671 3.758 1.00 0.00 H new ATOM 0 HA MET A 80 5.814 -10.575 5.744 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.151 -9.727 4.540 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.293 -10.824 5.900 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.137 -9.147 7.334 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.600 -8.104 6.003 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.502 -8.451 8.008 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.628 -9.815 7.806 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.093 -8.418 8.806 1.00 0.00 H new ATOM 1412 N ILE A 81 4.560 -11.699 2.907 1.00 0.00 N ATOM 1413 CA ILE A 81 4.394 -12.897 2.093 1.00 0.00 C ATOM 1414 C ILE A 81 5.722 -13.623 1.907 1.00 0.00 C ATOM 1415 O ILE A 81 5.806 -14.840 2.075 1.00 0.00 O ATOM 1416 CB ILE A 81 3.808 -12.559 0.709 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.488 -11.800 0.861 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.605 -13.830 -0.104 1.00 0.00 C ATOM 1419 CD1 ILE A 81 2.035 -11.116 -0.410 1.00 0.00 C ATOM 0 H ILE A 81 4.292 -10.832 2.441 1.00 0.00 H new ATOM 0 HA ILE A 81 3.699 -13.547 2.624 1.00 0.00 H new ATOM 0 HB ILE A 81 4.513 -11.920 0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.714 -12.495 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.596 -11.053 1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.190 -13.576 -1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.562 -14.334 -0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.917 -14.492 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.093 -10.598 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.790 -10.396 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.894 -11.861 -1.194 1.00 0.00 H new ATOM 1431 N LYS A 82 6.759 -12.869 1.561 1.00 0.00 N ATOM 1432 CA LYS A 82 8.086 -13.439 1.355 1.00 0.00 C ATOM 1433 C LYS A 82 8.622 -14.047 2.647 1.00 0.00 C ATOM 1434 O LYS A 82 9.201 -15.133 2.638 1.00 0.00 O ATOM 1435 CB LYS A 82 9.051 -12.366 0.845 1.00 0.00 C ATOM 1436 CG LYS A 82 9.110 -12.273 -0.670 1.00 0.00 C ATOM 1437 CD LYS A 82 7.786 -11.813 -1.253 1.00 0.00 C ATOM 1438 CE LYS A 82 6.879 -12.991 -1.574 1.00 0.00 C ATOM 1439 NZ LYS A 82 5.620 -12.556 -2.242 1.00 0.00 N ATOM 0 H LYS A 82 6.707 -11.861 1.417 1.00 0.00 H new ATOM 0 HA LYS A 82 8.004 -14.229 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.752 -11.399 1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.050 -12.576 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.898 -11.579 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.373 -13.246 -1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.287 -11.150 -0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.967 -11.235 -2.159 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.409 -13.692 -2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.637 -13.524 -0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.959 -13.357 -2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.187 -11.783 -1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.834 -12.224 -3.204 1.00 0.00 H new ATOM 1453 N GLY A 83 8.423 -13.342 3.755 1.00 0.00 N ATOM 1454 CA GLY A 83 8.893 -13.831 5.040 1.00 0.00 C ATOM 1455 C GLY A 83 8.164 -15.082 5.485 1.00 0.00 C ATOM 1456 O GLY A 83 8.751 -15.960 6.119 1.00 0.00 O ATOM 0 H GLY A 83 7.945 -12.441 3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.961 -14.039 4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.764 -13.052 5.791 1.00 0.00 H new ATOM 1460 N VAL A 84 6.879 -15.166 5.156 1.00 0.00 N ATOM 1461 CA VAL A 84 6.068 -16.318 5.527 1.00 0.00 C ATOM 1462 C VAL A 84 6.162 -17.419 4.476 1.00 0.00 C ATOM 1463 O VAL A 84 5.699 -18.540 4.689 1.00 0.00 O ATOM 1464 CB VAL A 84 4.590 -15.929 5.713 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.453 -14.840 6.767 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.986 -15.481 4.391 1.00 0.00 C ATOM 0 H VAL A 84 6.377 -14.449 4.633 1.00 0.00 H new ATOM 0 HA VAL A 84 6.461 -16.688 6.474 1.00 0.00 H new ATOM 0 HB VAL A 84 4.042 -16.806 6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.402 -14.578 6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.845 -15.202 7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.014 -13.959 6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.941 -15.210 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.534 -14.617 4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.049 -16.294 3.668 1.00 0.00 H new ATOM 1476 N THR A 85 6.767 -17.092 3.338 1.00 0.00 N ATOM 1477 CA THR A 85 6.923 -18.051 2.252 1.00 0.00 C ATOM 1478 C THR A 85 8.383 -18.454 2.079 1.00 0.00 C ATOM 1479 O THR A 85 8.689 -19.457 1.434 1.00 0.00 O ATOM 1480 CB THR A 85 6.398 -17.482 0.920 1.00 0.00 C ATOM 1481 OG1 THR A 85 7.107 -16.284 0.586 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.909 -17.188 1.007 1.00 0.00 C ATOM 0 H THR A 85 7.157 -16.170 3.145 1.00 0.00 H new ATOM 0 HA THR A 85 6.336 -18.929 2.520 1.00 0.00 H new ATOM 0 HB THR A 85 6.560 -18.228 0.142 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.526 -15.508 0.734 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.561 -16.787 0.055 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.369 -18.108 1.233 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.728 -16.458 1.796 1.00 0.00 H new ATOM 1490 N LEU A 86 9.282 -17.666 2.660 1.00 0.00 N ATOM 1491 CA LEU A 86 10.712 -17.941 2.571 1.00 0.00 C ATOM 1492 C LEU A 86 11.299 -18.220 3.950 1.00 0.00 C ATOM 1493 O LEU A 86 12.128 -19.114 4.114 1.00 0.00 O ATOM 1494 CB LEU A 86 11.439 -16.762 1.922 1.00 0.00 C ATOM 1495 CG LEU A 86 10.870 -16.273 0.589 1.00 0.00 C ATOM 1496 CD1 LEU A 86 11.606 -15.028 0.120 1.00 0.00 C ATOM 1497 CD2 LEU A 86 10.953 -17.372 -0.460 1.00 0.00 C ATOM 0 H LEU A 86 9.046 -16.832 3.197 1.00 0.00 H new ATOM 0 HA LEU A 86 10.849 -18.828 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.435 -15.928 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.481 -17.044 1.768 1.00 0.00 H new ATOM 0 HG LEU A 86 9.821 -16.016 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.188 -14.694 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.495 -14.238 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.664 -15.258 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.544 -17.007 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.994 -17.660 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.380 -18.237 -0.127 1.00 0.00 H new