USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 698 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Set 1.2: A 69 MET CE :methyl -132:sc= 0 (180deg=0) USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= -0.743 USER MOD Set 2.2: A 33 SER OG : rot -41:sc= 0.419 USER MOD Single : A 22 ASN : amide:sc= -0.628 X(o=-0.63,f=-0.93) USER MOD Single : A 28 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.49) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 1.02 K(o=1,f=-0.15) USER MOD Single : A 35 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0217) USER MOD Single : A 49 GLN : amide:sc= -0.0947 K(o=-0.095,f=-0.62) USER MOD Single : A 59 LYS NZ :NH3+ 144:sc= -0.548 (180deg=-1.72) USER MOD Single : A 61 ASN : amide:sc= -5.32! C(o=-5.3!,f=-17!) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0231 X(o=-0.023,f=-0.35) USER MOD Single : A 67 CYS SG : rot 91:sc= 0.0639! USER MOD Single : A 68 TYR OH : rot 180:sc= -0.66 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.177 K(o=-0.18,f=-2.2!) USER MOD Single : A 73 LYS NZ :NH3+ 139:sc= -0.756 (180deg=-3.06!) USER MOD Single : A 74 GLN : amide:sc= -2.28! C(o=-2.3!,f=-2.2!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00036 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 146:sc= -1.51 (180deg=-3.69!) USER MOD Single : A 86 CYS SG : rot 92:sc= -1.05 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -133:sc= 0.784 USER MOD Single : A 94 ASN : amide:sc= -0.61 K(o=-0.61,f=-10!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc=0.000792 USER MOD Single : A 99 SER OG : rot -67:sc= 0.775 USER MOD Single : A 102 SER OG : rot 130:sc= 0.572 USER MOD Single : A 107 TYR OH : rot -167:sc= -0.151 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -157:sc= -0.495 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 1.417 13.282 -0.784 1.00 0.00 N ATOM 215 CA PRO A 18 0.769 12.582 -1.897 1.00 0.00 C ATOM 216 C PRO A 18 -0.457 11.792 -1.450 1.00 0.00 C ATOM 217 O PRO A 18 -0.647 11.545 -0.260 1.00 0.00 O ATOM 218 CB PRO A 18 1.860 11.636 -2.404 1.00 0.00 C ATOM 219 CG PRO A 18 2.745 11.412 -1.227 1.00 0.00 C ATOM 220 CD PRO A 18 2.724 12.696 -0.444 1.00 0.00 C ATOM 0 HA PRO A 18 0.400 13.274 -2.654 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.435 10.699 -2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.411 12.076 -3.235 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.386 10.580 -0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.758 11.163 -1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.817 12.515 0.627 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.545 13.354 -0.729 1.00 0.00 H new ATOM 228 N ASP A 19 -1.284 11.399 -2.412 1.00 0.00 N ATOM 229 CA ASP A 19 -2.491 10.635 -2.118 1.00 0.00 C ATOM 230 C ASP A 19 -2.141 9.236 -1.620 1.00 0.00 C ATOM 231 O ASP A 19 -1.251 8.579 -2.162 1.00 0.00 O ATOM 232 CB ASP A 19 -3.376 10.541 -3.362 1.00 0.00 C ATOM 233 CG ASP A 19 -3.991 11.874 -3.737 1.00 0.00 C ATOM 234 OD1 ASP A 19 -4.787 12.408 -2.935 1.00 0.00 O ATOM 235 OD2 ASP A 19 -3.676 12.385 -4.832 1.00 0.00 O ATOM 0 H ASP A 19 -1.141 11.597 -3.402 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.038 11.155 -1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.784 10.169 -4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.170 9.815 -3.186 1.00 0.00 H new ATOM 240 N ILE A 20 -2.844 8.789 -0.586 1.00 0.00 N ATOM 241 CA ILE A 20 -2.607 7.468 -0.016 1.00 0.00 C ATOM 242 C ILE A 20 -2.628 6.391 -1.095 1.00 0.00 C ATOM 243 O ILE A 20 -3.626 6.190 -1.788 1.00 0.00 O ATOM 244 CB ILE A 20 -3.656 7.123 1.058 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.567 8.108 2.225 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.462 5.695 1.548 1.00 0.00 C ATOM 247 CD1 ILE A 20 -4.734 8.018 3.183 1.00 0.00 C ATOM 0 H ILE A 20 -3.582 9.321 -0.125 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.620 7.496 0.446 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.648 7.203 0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.643 7.926 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.509 9.122 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.210 5.466 2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.571 5.005 0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.466 5.590 1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.604 8.745 3.985 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.660 8.229 2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.780 7.015 3.607 1.00 0.00 H new ATOM 259 N PRO A 21 -1.500 5.680 -1.243 1.00 0.00 N ATOM 260 CA PRO A 21 -1.364 4.609 -2.235 1.00 0.00 C ATOM 261 C PRO A 21 -2.206 3.386 -1.887 1.00 0.00 C ATOM 262 O PRO A 21 -2.290 2.988 -0.727 1.00 0.00 O ATOM 263 CB PRO A 21 0.126 4.264 -2.182 1.00 0.00 C ATOM 264 CG PRO A 21 0.560 4.666 -0.814 1.00 0.00 C ATOM 265 CD PRO A 21 -0.272 5.865 -0.452 1.00 0.00 C ATOM 0 HA PRO A 21 -1.709 4.921 -3.221 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.292 3.201 -2.354 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.684 4.802 -2.948 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.407 3.855 -0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.623 4.909 -0.797 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.484 5.899 0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.233 6.797 -0.707 1.00 0.00 H new ATOM 273 N ASN A 22 -2.829 2.795 -2.902 1.00 0.00 N ATOM 274 CA ASN A 22 -3.666 1.617 -2.703 1.00 0.00 C ATOM 275 C ASN A 22 -2.914 0.542 -1.924 1.00 0.00 C ATOM 276 O ASN A 22 -1.685 0.481 -1.930 1.00 0.00 O ATOM 277 CB ASN A 22 -4.126 1.059 -4.051 1.00 0.00 C ATOM 278 CG ASN A 22 -4.261 2.138 -5.108 1.00 0.00 C ATOM 279 OD1 ASN A 22 -4.850 3.192 -4.864 1.00 0.00 O ATOM 280 ND2 ASN A 22 -3.714 1.880 -6.290 1.00 0.00 N ATOM 0 H ASN A 22 -2.770 3.112 -3.870 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.540 1.916 -2.124 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.414 0.307 -4.392 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.085 0.556 -3.925 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.772 2.569 -7.040 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.235 0.993 -6.448 1.00 0.00 H new ATOM 287 N PRO A 23 -3.670 -0.328 -1.237 1.00 0.00 N ATOM 288 CA PRO A 23 -3.097 -1.418 -0.442 1.00 0.00 C ATOM 289 C PRO A 23 -2.467 -2.501 -1.311 1.00 0.00 C ATOM 290 O PRO A 23 -2.928 -2.791 -2.415 1.00 0.00 O ATOM 291 CB PRO A 23 -4.304 -1.976 0.316 1.00 0.00 C ATOM 292 CG PRO A 23 -5.479 -1.626 -0.531 1.00 0.00 C ATOM 293 CD PRO A 23 -5.141 -0.315 -1.185 1.00 0.00 C ATOM 0 HA PRO A 23 -2.292 -1.070 0.206 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.222 -3.054 0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.386 -1.534 1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.666 -2.398 -1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.383 -1.540 0.072 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.577 -0.239 -2.181 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.515 0.530 -0.607 1.00 0.00 H new ATOM 301 N PRO A 24 -1.388 -3.115 -0.804 1.00 0.00 N ATOM 302 CA PRO A 24 -0.672 -4.177 -1.518 1.00 0.00 C ATOM 303 C PRO A 24 -1.484 -5.464 -1.607 1.00 0.00 C ATOM 304 O PRO A 24 -2.243 -5.795 -0.696 1.00 0.00 O ATOM 305 CB PRO A 24 0.582 -4.393 -0.667 1.00 0.00 C ATOM 306 CG PRO A 24 0.194 -3.946 0.700 1.00 0.00 C ATOM 307 CD PRO A 24 -0.783 -2.820 0.506 1.00 0.00 C ATOM 0 HA PRO A 24 -0.460 -3.903 -2.551 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.887 -5.440 -0.670 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.424 -3.815 -1.048 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.258 -4.762 1.264 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.066 -3.614 1.264 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.531 -2.796 1.298 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.285 -1.851 0.509 1.00 0.00 H new ATOM 315 N ARG A 25 -1.318 -6.188 -2.709 1.00 0.00 N ATOM 316 CA ARG A 25 -2.037 -7.439 -2.917 1.00 0.00 C ATOM 317 C ARG A 25 -1.094 -8.633 -2.798 1.00 0.00 C ATOM 318 O ARG A 25 0.126 -8.472 -2.760 1.00 0.00 O ATOM 319 CB ARG A 25 -2.711 -7.443 -4.290 1.00 0.00 C ATOM 320 CG ARG A 25 -1.794 -7.008 -5.421 1.00 0.00 C ATOM 321 CD ARG A 25 -2.505 -7.053 -6.764 1.00 0.00 C ATOM 322 NE ARG A 25 -3.167 -5.789 -7.075 1.00 0.00 N ATOM 323 CZ ARG A 25 -3.921 -5.600 -8.152 1.00 0.00 C ATOM 324 NH1 ARG A 25 -4.110 -6.588 -9.016 1.00 0.00 N ATOM 325 NH2 ARG A 25 -4.490 -4.420 -8.366 1.00 0.00 N ATOM 0 H ARG A 25 -0.692 -5.930 -3.472 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.802 -7.522 -2.145 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.082 -8.446 -4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.577 -6.782 -4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.436 -5.996 -5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.918 -7.656 -5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.785 -7.288 -7.548 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.242 -7.856 -6.757 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.044 -5.009 -6.430 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.676 -7.497 -8.855 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.690 -6.439 -9.842 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.348 -3.658 -7.703 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.069 -4.275 -9.193 1.00 0.00 H new ATOM 339 N ILE A 26 -1.668 -9.830 -2.740 1.00 0.00 N ATOM 340 CA ILE A 26 -0.879 -11.051 -2.627 1.00 0.00 C ATOM 341 C ILE A 26 -0.666 -11.696 -3.992 1.00 0.00 C ATOM 342 O ILE A 26 -1.618 -11.932 -4.734 1.00 0.00 O ATOM 343 CB ILE A 26 -1.551 -12.070 -1.689 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.215 -11.753 -0.230 1.00 0.00 C ATOM 345 CG2 ILE A 26 -1.114 -13.484 -2.043 1.00 0.00 C ATOM 346 CD1 ILE A 26 0.217 -12.067 0.142 1.00 0.00 C ATOM 0 H ILE A 26 -2.676 -9.981 -2.769 1.00 0.00 H new ATOM 0 HA ILE A 26 0.086 -10.766 -2.208 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.631 -12.001 -1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.407 -10.697 -0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.883 -12.319 0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.597 -14.193 -1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.399 -13.706 -3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.032 -13.567 -1.940 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.384 -11.817 1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.409 -13.129 -0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.892 -11.481 -0.482 1.00 0.00 H new ATOM 358 N ALA A 27 0.592 -11.981 -4.316 1.00 0.00 N ATOM 359 CA ALA A 27 0.930 -12.603 -5.590 1.00 0.00 C ATOM 360 C ALA A 27 1.532 -13.989 -5.382 1.00 0.00 C ATOM 361 O ALA A 27 1.614 -14.786 -6.314 1.00 0.00 O ATOM 362 CB ALA A 27 1.893 -11.719 -6.370 1.00 0.00 C ATOM 0 H ALA A 27 1.393 -11.791 -3.714 1.00 0.00 H new ATOM 0 HA ALA A 27 0.011 -12.717 -6.165 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.137 -12.196 -7.319 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.427 -10.752 -6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.805 -11.576 -5.791 1.00 0.00 H new ATOM 368 N ASN A 28 1.951 -14.268 -4.152 1.00 0.00 N ATOM 369 CA ASN A 28 2.547 -15.557 -3.822 1.00 0.00 C ATOM 370 C ASN A 28 2.834 -15.657 -2.326 1.00 0.00 C ATOM 371 O ASN A 28 3.678 -14.935 -1.796 1.00 0.00 O ATOM 372 CB ASN A 28 3.839 -15.764 -4.615 1.00 0.00 C ATOM 373 CG ASN A 28 4.340 -17.193 -4.542 1.00 0.00 C ATOM 374 OD1 ASN A 28 4.814 -17.645 -3.500 1.00 0.00 O ATOM 375 ND2 ASN A 28 4.236 -17.914 -5.653 1.00 0.00 N ATOM 0 H ASN A 28 1.889 -13.619 -3.368 1.00 0.00 H new ATOM 0 HA ASN A 28 1.835 -16.337 -4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.669 -15.494 -5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.608 -15.092 -4.233 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.556 -18.883 -5.664 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.836 -17.499 -6.495 1.00 0.00 H new ATOM 382 N ARG A 29 2.126 -16.558 -1.653 1.00 0.00 N ATOM 383 CA ARG A 29 2.303 -16.753 -0.219 1.00 0.00 C ATOM 384 C ARG A 29 2.518 -18.228 0.107 1.00 0.00 C ATOM 385 O ARG A 29 1.806 -19.097 -0.397 1.00 0.00 O ATOM 386 CB ARG A 29 1.088 -16.223 0.544 1.00 0.00 C ATOM 387 CG ARG A 29 -0.225 -16.858 0.115 1.00 0.00 C ATOM 388 CD ARG A 29 -1.223 -16.903 1.261 1.00 0.00 C ATOM 389 NE ARG A 29 -2.471 -17.554 0.875 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.403 -16.974 0.126 1.00 0.00 C ATOM 391 NH1 ARG A 29 -3.226 -15.736 -0.315 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.512 -17.632 -0.183 1.00 0.00 N ATOM 0 H ARG A 29 1.424 -17.164 -2.078 1.00 0.00 H new ATOM 0 HA ARG A 29 3.188 -16.197 0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.235 -16.397 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.023 -15.144 0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.649 -16.294 -0.716 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.040 -17.869 -0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.783 -17.435 2.104 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.433 -15.888 1.599 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.637 -18.507 1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.374 -15.228 -0.079 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.942 -15.292 -0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.651 -18.585 0.154 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.226 -17.186 -0.758 1.00 0.00 H new ATOM 406 N THR A 30 3.505 -18.504 0.954 1.00 0.00 N ATOM 407 CA THR A 30 3.816 -19.873 1.346 1.00 0.00 C ATOM 408 C THR A 30 3.633 -20.070 2.847 1.00 0.00 C ATOM 409 O THR A 30 3.242 -19.147 3.561 1.00 0.00 O ATOM 410 CB THR A 30 5.258 -20.254 0.962 1.00 0.00 C ATOM 411 OG1 THR A 30 6.165 -19.836 1.988 1.00 0.00 O ATOM 412 CG2 THR A 30 5.652 -19.615 -0.361 1.00 0.00 C ATOM 0 H THR A 30 4.103 -17.797 1.382 1.00 0.00 H new ATOM 0 HA THR A 30 3.122 -20.520 0.810 1.00 0.00 H new ATOM 0 HB THR A 30 5.307 -21.337 0.853 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.079 -20.083 1.737 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.674 -19.898 -0.612 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.978 -19.958 -1.146 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.587 -18.530 -0.275 1.00 0.00 H new ATOM 420 N LYS A 31 3.919 -21.278 3.319 1.00 0.00 N ATOM 421 CA LYS A 31 3.788 -21.597 4.736 1.00 0.00 C ATOM 422 C LYS A 31 4.802 -20.815 5.565 1.00 0.00 C ATOM 423 O LYS A 31 4.582 -20.556 6.748 1.00 0.00 O ATOM 424 CB LYS A 31 3.978 -23.098 4.962 1.00 0.00 C ATOM 425 CG LYS A 31 3.174 -23.963 4.007 1.00 0.00 C ATOM 426 CD LYS A 31 1.789 -24.262 4.556 1.00 0.00 C ATOM 427 CE LYS A 31 1.837 -25.326 5.642 1.00 0.00 C ATOM 428 NZ LYS A 31 0.487 -25.879 5.937 1.00 0.00 N ATOM 0 H LYS A 31 4.243 -22.053 2.741 1.00 0.00 H new ATOM 0 HA LYS A 31 2.786 -21.312 5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.035 -23.342 4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.695 -23.342 5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.084 -23.458 3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.705 -24.898 3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.351 -23.349 4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.140 -24.596 3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.500 -26.133 5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.261 -24.898 6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.563 -26.601 6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.139 -25.113 6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.093 -26.310 5.076 1.00 0.00 H new ATOM 442 N ASN A 32 5.911 -20.441 4.936 1.00 0.00 N ATOM 443 CA ASN A 32 6.958 -19.687 5.617 1.00 0.00 C ATOM 444 C ASN A 32 7.436 -18.521 4.757 1.00 0.00 C ATOM 445 O ASN A 32 8.619 -18.183 4.752 1.00 0.00 O ATOM 446 CB ASN A 32 8.137 -20.603 5.954 1.00 0.00 C ATOM 447 CG ASN A 32 7.688 -21.956 6.472 1.00 0.00 C ATOM 448 OD1 ASN A 32 7.703 -22.948 5.743 1.00 0.00 O ATOM 449 ND2 ASN A 32 7.286 -22.001 7.737 1.00 0.00 N ATOM 0 H ASN A 32 6.108 -20.647 3.957 1.00 0.00 H new ATOM 0 HA ASN A 32 6.541 -19.287 6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.751 -20.743 5.064 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.766 -20.121 6.702 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.973 -22.883 8.141 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.291 -21.153 8.304 1.00 0.00 H new ATOM 456 N SER A 33 6.506 -17.909 4.030 1.00 0.00 N ATOM 457 CA SER A 33 6.832 -16.783 3.163 1.00 0.00 C ATOM 458 C SER A 33 5.568 -16.041 2.739 1.00 0.00 C ATOM 459 O SER A 33 4.469 -16.596 2.767 1.00 0.00 O ATOM 460 CB SER A 33 7.592 -17.266 1.927 1.00 0.00 C ATOM 461 OG SER A 33 8.657 -18.129 2.288 1.00 0.00 O ATOM 0 H SER A 33 5.521 -18.174 4.024 1.00 0.00 H new ATOM 0 HA SER A 33 7.466 -16.096 3.724 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.909 -17.787 1.257 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.984 -16.409 1.379 1.00 0.00 H new ATOM 0 HG SER A 33 9.102 -17.782 3.090 1.00 0.00 H new ATOM 467 N LEU A 34 5.733 -14.782 2.346 1.00 0.00 N ATOM 468 CA LEU A 34 4.606 -13.962 1.916 1.00 0.00 C ATOM 469 C LEU A 34 5.054 -12.909 0.907 1.00 0.00 C ATOM 470 O LEU A 34 5.866 -12.038 1.221 1.00 0.00 O ATOM 471 CB LEU A 34 3.953 -13.284 3.121 1.00 0.00 C ATOM 472 CG LEU A 34 2.810 -14.053 3.785 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.425 -13.402 5.105 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.607 -14.129 2.856 1.00 0.00 C ATOM 0 H LEU A 34 6.636 -14.308 2.316 1.00 0.00 H new ATOM 0 HA LEU A 34 3.877 -14.614 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.723 -13.099 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.575 -12.312 2.805 1.00 0.00 H new ATOM 0 HG LEU A 34 3.151 -15.068 3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.610 -13.963 5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.285 -13.400 5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.103 -12.376 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.804 -14.680 3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.265 -13.121 2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.890 -14.641 1.936 1.00 0.00 H new ATOM 486 N THR A 35 4.517 -12.993 -0.306 1.00 0.00 N ATOM 487 CA THR A 35 4.860 -12.047 -1.361 1.00 0.00 C ATOM 488 C THR A 35 3.735 -11.043 -1.586 1.00 0.00 C ATOM 489 O THR A 35 2.595 -11.422 -1.858 1.00 0.00 O ATOM 490 CB THR A 35 5.160 -12.770 -2.688 1.00 0.00 C ATOM 491 OG1 THR A 35 5.968 -13.926 -2.444 1.00 0.00 O ATOM 492 CG2 THR A 35 5.873 -11.842 -3.660 1.00 0.00 C ATOM 0 H THR A 35 3.843 -13.707 -0.582 1.00 0.00 H new ATOM 0 HA THR A 35 5.755 -11.519 -1.033 1.00 0.00 H new ATOM 0 HB THR A 35 4.213 -13.077 -3.132 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.412 -14.641 -2.070 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.075 -12.374 -4.590 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.242 -10.977 -3.866 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.814 -11.509 -3.221 1.00 0.00 H new ATOM 500 N LEU A 36 4.062 -9.760 -1.471 1.00 0.00 N ATOM 501 CA LEU A 36 3.079 -8.700 -1.663 1.00 0.00 C ATOM 502 C LEU A 36 3.517 -7.744 -2.768 1.00 0.00 C ATOM 503 O LEU A 36 4.678 -7.341 -2.827 1.00 0.00 O ATOM 504 CB LEU A 36 2.870 -7.929 -0.358 1.00 0.00 C ATOM 505 CG LEU A 36 2.458 -8.762 0.856 1.00 0.00 C ATOM 506 CD1 LEU A 36 2.952 -8.115 2.140 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.947 -8.939 0.892 1.00 0.00 C ATOM 0 H LEU A 36 5.000 -9.429 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 36 2.137 -9.161 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.795 -7.405 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.108 -7.168 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 36 2.917 -9.747 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.649 -8.722 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.039 -8.041 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.522 -7.118 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.671 -9.534 1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.468 -7.962 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.619 -9.448 -0.014 1.00 0.00 H new ATOM 519 N GLN A 37 2.580 -7.385 -3.639 1.00 0.00 N ATOM 520 CA GLN A 37 2.870 -6.475 -4.740 1.00 0.00 C ATOM 521 C GLN A 37 1.984 -5.235 -4.671 1.00 0.00 C ATOM 522 O GLN A 37 0.813 -5.318 -4.298 1.00 0.00 O ATOM 523 CB GLN A 37 2.671 -7.184 -6.081 1.00 0.00 C ATOM 524 CG GLN A 37 3.682 -8.289 -6.341 1.00 0.00 C ATOM 525 CD GLN A 37 3.545 -8.892 -7.724 1.00 0.00 C ATOM 526 OE1 GLN A 37 2.475 -8.842 -8.333 1.00 0.00 O ATOM 527 NE2 GLN A 37 4.629 -9.468 -8.230 1.00 0.00 N ATOM 0 H GLN A 37 1.614 -7.710 -3.604 1.00 0.00 H new ATOM 0 HA GLN A 37 3.910 -6.161 -4.653 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.667 -7.607 -6.113 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.734 -6.449 -6.884 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.689 -7.890 -6.221 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.558 -9.073 -5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.495 -9.487 -7.691 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.596 -9.891 -9.157 1.00 0.00 H new ATOM 536 N TRP A 38 2.549 -4.089 -5.030 1.00 0.00 N ATOM 537 CA TRP A 38 1.809 -2.832 -5.008 1.00 0.00 C ATOM 538 C TRP A 38 2.251 -1.920 -6.148 1.00 0.00 C ATOM 539 O TRP A 38 3.276 -2.160 -6.787 1.00 0.00 O ATOM 540 CB TRP A 38 2.007 -2.124 -3.667 1.00 0.00 C ATOM 541 CG TRP A 38 3.447 -1.901 -3.319 1.00 0.00 C ATOM 542 CD1 TRP A 38 4.217 -0.827 -3.666 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.291 -2.773 -2.559 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.488 -0.979 -3.167 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.559 -2.164 -2.483 1.00 0.00 C ATOM 546 CE3 TRP A 38 4.098 -4.007 -1.933 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.626 -2.750 -1.808 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.158 -4.587 -1.263 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.409 -3.959 -1.204 1.00 0.00 C ATOM 0 H TRP A 38 3.517 -4.003 -5.340 1.00 0.00 H new ATOM 0 HA TRP A 38 0.751 -3.059 -5.139 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.494 -1.163 -3.693 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.538 -2.714 -2.880 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.877 0.017 -4.247 1.00 0.00 H new ATOM 0 HE1 TRP A 38 6.255 -0.317 -3.286 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.137 -4.499 -1.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.591 -2.268 -1.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.020 -5.541 -0.776 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.218 -4.438 -0.672 1.00 0.00 H new ATOM 560 N LYS A 39 1.472 -0.874 -6.398 1.00 0.00 N ATOM 561 CA LYS A 39 1.783 0.076 -7.460 1.00 0.00 C ATOM 562 C LYS A 39 2.013 1.472 -6.891 1.00 0.00 C ATOM 563 O LYS A 39 1.708 1.737 -5.729 1.00 0.00 O ATOM 564 CB LYS A 39 0.649 0.112 -8.488 1.00 0.00 C ATOM 565 CG LYS A 39 0.327 -1.246 -9.086 1.00 0.00 C ATOM 566 CD LYS A 39 -0.848 -1.168 -10.047 1.00 0.00 C ATOM 567 CE LYS A 39 -0.922 -2.398 -10.938 1.00 0.00 C ATOM 568 NZ LYS A 39 0.053 -2.330 -12.061 1.00 0.00 N ATOM 0 H LYS A 39 0.620 -0.662 -5.879 1.00 0.00 H new ATOM 0 HA LYS A 39 2.699 -0.252 -7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.247 0.513 -8.014 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.919 0.798 -9.291 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.202 -1.630 -9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.099 -1.951 -8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.775 -1.070 -9.482 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.755 -0.275 -10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.728 -3.290 -10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.931 -2.496 -11.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.029 -3.187 -12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.148 -1.493 -12.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.018 -2.263 -11.679 1.00 0.00 H new ATOM 582 N ALA A 40 2.550 2.362 -7.719 1.00 0.00 N ATOM 583 CA ALA A 40 2.817 3.732 -7.299 1.00 0.00 C ATOM 584 C ALA A 40 1.590 4.616 -7.496 1.00 0.00 C ATOM 585 O ALA A 40 0.914 4.561 -8.523 1.00 0.00 O ATOM 586 CB ALA A 40 4.005 4.297 -8.064 1.00 0.00 C ATOM 0 H ALA A 40 2.809 2.159 -8.684 1.00 0.00 H new ATOM 0 HA ALA A 40 3.056 3.719 -6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.193 5.321 -7.740 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.887 3.687 -7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.787 4.289 -9.132 1.00 0.00 H new ATOM 592 N PRO A 41 1.293 5.450 -6.488 1.00 0.00 N ATOM 593 CA PRO A 41 0.145 6.361 -6.527 1.00 0.00 C ATOM 594 C PRO A 41 0.335 7.489 -7.536 1.00 0.00 C ATOM 595 O PRO A 41 1.204 7.419 -8.404 1.00 0.00 O ATOM 596 CB PRO A 41 0.088 6.921 -5.104 1.00 0.00 C ATOM 597 CG PRO A 41 1.483 6.804 -4.594 1.00 0.00 C ATOM 598 CD PRO A 41 2.055 5.569 -5.234 1.00 0.00 C ATOM 0 HA PRO A 41 -0.768 5.853 -6.837 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.249 7.957 -5.100 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.609 6.357 -4.484 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.069 7.686 -4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.496 6.722 -3.507 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.124 5.672 -5.422 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.926 4.692 -4.600 1.00 0.00 H new ATOM 606 N SER A 42 -0.484 8.529 -7.415 1.00 0.00 N ATOM 607 CA SER A 42 -0.409 9.671 -8.318 1.00 0.00 C ATOM 608 C SER A 42 0.587 10.706 -7.803 1.00 0.00 C ATOM 609 O SER A 42 0.378 11.317 -6.755 1.00 0.00 O ATOM 610 CB SER A 42 -1.789 10.311 -8.482 1.00 0.00 C ATOM 611 OG SER A 42 -1.704 11.530 -9.199 1.00 0.00 O ATOM 0 H SER A 42 -1.207 8.604 -6.700 1.00 0.00 H new ATOM 0 HA SER A 42 -0.066 9.313 -9.289 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.452 9.623 -9.006 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.228 10.492 -7.501 1.00 0.00 H new ATOM 0 HG SER A 42 -2.599 11.918 -9.292 1.00 0.00 H new ATOM 617 N ASP A 43 1.670 10.898 -8.548 1.00 0.00 N ATOM 618 CA ASP A 43 2.698 11.860 -8.169 1.00 0.00 C ATOM 619 C ASP A 43 2.239 13.286 -8.452 1.00 0.00 C ATOM 620 O ASP A 43 2.750 13.946 -9.356 1.00 0.00 O ATOM 621 CB ASP A 43 3.998 11.571 -8.922 1.00 0.00 C ATOM 622 CG ASP A 43 3.905 11.919 -10.394 1.00 0.00 C ATOM 623 OD1 ASP A 43 3.210 11.189 -11.133 1.00 0.00 O ATOM 624 OD2 ASP A 43 4.524 12.920 -10.808 1.00 0.00 O ATOM 0 H ASP A 43 1.859 10.400 -9.418 1.00 0.00 H new ATOM 0 HA ASP A 43 2.877 11.761 -7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.811 12.138 -8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.248 10.515 -8.817 1.00 0.00 H new ATOM 661 N LYS A 47 8.290 13.626 -7.016 1.00 0.00 N ATOM 662 CA LYS A 47 8.430 12.187 -7.206 1.00 0.00 C ATOM 663 C LYS A 47 8.699 11.487 -5.877 1.00 0.00 C ATOM 664 O LYS A 47 9.679 11.786 -5.195 1.00 0.00 O ATOM 665 CB LYS A 47 9.565 11.890 -8.189 1.00 0.00 C ATOM 666 CG LYS A 47 10.907 12.455 -7.758 1.00 0.00 C ATOM 667 CD LYS A 47 11.973 12.231 -8.818 1.00 0.00 C ATOM 668 CE LYS A 47 11.897 13.281 -9.916 1.00 0.00 C ATOM 669 NZ LYS A 47 12.474 14.582 -9.480 1.00 0.00 N ATOM 0 HA LYS A 47 7.494 11.807 -7.615 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.657 10.811 -8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.305 12.299 -9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.807 13.522 -7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.217 11.986 -6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.959 12.258 -8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.852 11.239 -9.253 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.430 12.924 -10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.857 13.425 -10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.496 15.239 -10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.888 14.985 -8.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.441 14.432 -9.128 1.00 0.00 H new ATOM 683 N ILE A 48 7.824 10.555 -5.518 1.00 0.00 N ATOM 684 CA ILE A 48 7.968 9.811 -4.272 1.00 0.00 C ATOM 685 C ILE A 48 9.364 9.209 -4.151 1.00 0.00 C ATOM 686 O ILE A 48 9.810 8.470 -5.028 1.00 0.00 O ATOM 687 CB ILE A 48 6.925 8.684 -4.165 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.536 9.268 -3.898 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.313 7.705 -3.067 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.410 8.434 -4.467 1.00 0.00 C ATOM 0 H ILE A 48 7.007 10.296 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 48 7.808 10.521 -3.460 1.00 0.00 H new ATOM 0 HB ILE A 48 6.896 8.145 -5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.394 9.369 -2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.485 10.271 -4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.566 6.914 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.285 7.268 -3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.367 8.230 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.455 8.908 -4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.527 8.354 -5.548 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.435 7.438 -4.024 1.00 0.00 H new ATOM 702 N GLN A 49 10.048 9.530 -3.057 1.00 0.00 N ATOM 703 CA GLN A 49 11.393 9.019 -2.820 1.00 0.00 C ATOM 704 C GLN A 49 11.399 7.495 -2.785 1.00 0.00 C ATOM 705 O GLN A 49 11.948 6.846 -3.674 1.00 0.00 O ATOM 706 CB GLN A 49 11.948 9.573 -1.506 1.00 0.00 C ATOM 707 CG GLN A 49 11.903 11.090 -1.419 1.00 0.00 C ATOM 708 CD GLN A 49 12.577 11.623 -0.170 1.00 0.00 C ATOM 709 OE1 GLN A 49 12.765 10.896 0.806 1.00 0.00 O ATOM 710 NE2 GLN A 49 12.945 12.899 -0.193 1.00 0.00 N ATOM 0 H GLN A 49 9.693 10.141 -2.321 1.00 0.00 H new ATOM 0 HA GLN A 49 12.029 9.347 -3.642 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.381 9.153 -0.676 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.979 9.241 -1.388 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.387 11.515 -2.298 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.864 11.420 -1.436 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.770 13.465 -1.023 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.403 13.312 0.619 1.00 0.00 H new ATOM 719 N ASN A 50 10.783 6.929 -1.752 1.00 0.00 N ATOM 720 CA ASN A 50 10.718 5.480 -1.600 1.00 0.00 C ATOM 721 C ASN A 50 9.413 5.061 -0.931 1.00 0.00 C ATOM 722 O ASN A 50 8.642 5.902 -0.469 1.00 0.00 O ATOM 723 CB ASN A 50 11.909 4.978 -0.781 1.00 0.00 C ATOM 724 CG ASN A 50 12.393 6.004 0.225 1.00 0.00 C ATOM 725 OD1 ASN A 50 11.478 6.501 1.049 1.00 0.00 O flip ATOM 726 ND2 ASN A 50 13.575 6.347 0.260 1.00 0.00 N flip ATOM 0 H ASN A 50 10.322 7.452 -1.008 1.00 0.00 H new ATOM 0 HA ASN A 50 10.755 5.034 -2.594 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.627 4.065 -0.257 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.726 4.720 -1.454 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.244 5.939 -0.393 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.885 7.039 0.942 1.00 0.00 H new ATOM 733 N PHE A 51 9.173 3.755 -0.881 1.00 0.00 N ATOM 734 CA PHE A 51 7.961 3.223 -0.269 1.00 0.00 C ATOM 735 C PHE A 51 8.232 2.758 1.159 1.00 0.00 C ATOM 736 O PHE A 51 9.266 2.152 1.441 1.00 0.00 O ATOM 737 CB PHE A 51 7.411 2.062 -1.099 1.00 0.00 C ATOM 738 CG PHE A 51 6.888 2.482 -2.444 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.699 3.185 -2.550 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.585 2.173 -3.600 1.00 0.00 C ATOM 741 CE1 PHE A 51 5.215 3.571 -3.786 1.00 0.00 C ATOM 742 CE2 PHE A 51 7.107 2.558 -4.839 1.00 0.00 C ATOM 743 CZ PHE A 51 5.920 3.258 -4.931 1.00 0.00 C ATOM 0 H PHE A 51 9.802 3.045 -1.257 1.00 0.00 H new ATOM 0 HA PHE A 51 7.220 4.021 -0.239 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.198 1.321 -1.239 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.610 1.575 -0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.144 3.434 -1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.513 1.625 -3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.286 4.117 -3.856 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.661 2.312 -5.733 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.544 3.560 -5.897 1.00 0.00 H new ATOM 753 N VAL A 52 7.296 3.047 2.057 1.00 0.00 N ATOM 754 CA VAL A 52 7.433 2.658 3.456 1.00 0.00 C ATOM 755 C VAL A 52 6.387 1.618 3.842 1.00 0.00 C ATOM 756 O VAL A 52 5.204 1.933 3.981 1.00 0.00 O ATOM 757 CB VAL A 52 7.301 3.875 4.392 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.399 3.442 5.847 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.361 4.916 4.064 1.00 0.00 C ATOM 0 H VAL A 52 6.435 3.549 1.841 1.00 0.00 H new ATOM 0 HA VAL A 52 8.428 2.228 3.569 1.00 0.00 H new ATOM 0 HB VAL A 52 6.321 4.327 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.304 4.314 6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.600 2.735 6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.364 2.965 6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.253 5.769 4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.352 4.479 4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.239 5.247 3.033 1.00 0.00 H new ATOM 769 N LEU A 53 6.831 0.378 4.015 1.00 0.00 N ATOM 770 CA LEU A 53 5.933 -0.710 4.387 1.00 0.00 C ATOM 771 C LEU A 53 5.936 -0.927 5.897 1.00 0.00 C ATOM 772 O LEU A 53 6.885 -0.554 6.585 1.00 0.00 O ATOM 773 CB LEU A 53 6.342 -2.001 3.674 1.00 0.00 C ATOM 774 CG LEU A 53 5.418 -3.202 3.877 1.00 0.00 C ATOM 775 CD1 LEU A 53 4.037 -2.914 3.309 1.00 0.00 C ATOM 776 CD2 LEU A 53 6.012 -4.447 3.235 1.00 0.00 C ATOM 0 H LEU A 53 7.806 0.101 3.904 1.00 0.00 H new ATOM 0 HA LEU A 53 4.924 -0.436 4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.409 -1.796 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.342 -2.277 4.009 1.00 0.00 H new ATOM 0 HG LEU A 53 5.318 -3.383 4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.393 -3.780 3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.609 -2.049 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.118 -2.707 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.341 -5.292 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.143 -4.278 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.979 -4.664 3.689 1.00 0.00 H new ATOM 788 N GLU A 54 4.867 -1.534 6.404 1.00 0.00 N ATOM 789 CA GLU A 54 4.748 -1.801 7.833 1.00 0.00 C ATOM 790 C GLU A 54 3.820 -2.986 8.089 1.00 0.00 C ATOM 791 O GLU A 54 2.882 -3.228 7.330 1.00 0.00 O ATOM 792 CB GLU A 54 4.225 -0.563 8.564 1.00 0.00 C ATOM 793 CG GLU A 54 5.314 0.432 8.931 1.00 0.00 C ATOM 794 CD GLU A 54 4.766 1.672 9.609 1.00 0.00 C ATOM 795 OE1 GLU A 54 3.726 1.564 10.292 1.00 0.00 O ATOM 796 OE2 GLU A 54 5.377 2.751 9.457 1.00 0.00 O ATOM 0 H GLU A 54 4.072 -1.850 5.848 1.00 0.00 H new ATOM 0 HA GLU A 54 5.739 -2.048 8.214 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.486 -0.065 7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.711 -0.878 9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.034 -0.051 9.592 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.853 0.723 8.030 1.00 0.00 H new ATOM 803 N TRP A 55 4.091 -3.720 9.162 1.00 0.00 N ATOM 804 CA TRP A 55 3.282 -4.879 9.519 1.00 0.00 C ATOM 805 C TRP A 55 3.405 -5.193 11.005 1.00 0.00 C ATOM 806 O TRP A 55 4.346 -4.752 11.666 1.00 0.00 O ATOM 807 CB TRP A 55 3.703 -6.095 8.691 1.00 0.00 C ATOM 808 CG TRP A 55 5.032 -6.658 9.097 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.122 -5.956 9.527 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.411 -8.038 9.108 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.156 -6.818 9.805 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.744 -8.101 9.557 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.752 -9.228 8.785 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.429 -9.306 9.688 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.434 -10.423 8.915 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.761 -10.455 9.364 1.00 0.00 C ATOM 0 H TRP A 55 4.865 -3.533 9.800 1.00 0.00 H new ATOM 0 HA TRP A 55 2.240 -4.644 9.303 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.943 -6.871 8.786 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.742 -5.814 7.639 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.165 -4.882 9.633 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.080 -6.547 10.141 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.729 -9.214 8.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.452 -9.333 10.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.936 -11.348 8.666 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.266 -11.405 9.456 1.00 0.00 H new ATOM 827 N ASP A 56 2.451 -5.957 11.526 1.00 0.00 N ATOM 828 CA ASP A 56 2.455 -6.331 12.935 1.00 0.00 C ATOM 829 C ASP A 56 3.177 -7.658 13.144 1.00 0.00 C ATOM 830 O ASP A 56 2.823 -8.435 14.030 1.00 0.00 O ATOM 831 CB ASP A 56 1.022 -6.428 13.463 1.00 0.00 C ATOM 832 CG ASP A 56 0.276 -7.620 12.897 1.00 0.00 C ATOM 833 OD1 ASP A 56 0.474 -8.742 13.411 1.00 0.00 O ATOM 834 OD2 ASP A 56 -0.505 -7.432 11.942 1.00 0.00 O ATOM 0 H ASP A 56 1.665 -6.329 10.993 1.00 0.00 H new ATOM 0 HA ASP A 56 2.987 -5.557 13.489 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.043 -6.499 14.550 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.483 -5.514 13.213 1.00 0.00 H new ATOM 839 N GLU A 57 4.191 -7.910 12.321 1.00 0.00 N ATOM 840 CA GLU A 57 4.961 -9.144 12.415 1.00 0.00 C ATOM 841 C GLU A 57 4.052 -10.332 12.714 1.00 0.00 C ATOM 842 O GLU A 57 4.453 -11.282 13.385 1.00 0.00 O ATOM 843 CB GLU A 57 6.032 -9.021 13.501 1.00 0.00 C ATOM 844 CG GLU A 57 7.328 -8.399 13.010 1.00 0.00 C ATOM 845 CD GLU A 57 8.492 -8.658 13.948 1.00 0.00 C ATOM 846 OE1 GLU A 57 9.118 -9.732 13.834 1.00 0.00 O ATOM 847 OE2 GLU A 57 8.775 -7.786 14.796 1.00 0.00 O ATOM 0 H GLU A 57 4.497 -7.276 11.583 1.00 0.00 H new ATOM 0 HA GLU A 57 5.446 -9.313 11.454 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.638 -8.420 14.321 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.244 -10.011 13.904 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.566 -8.796 12.023 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.190 -7.324 12.896 1.00 0.00 H new ATOM 854 N GLY A 58 2.822 -10.270 12.212 1.00 0.00 N ATOM 855 CA GLY A 58 1.874 -11.345 12.436 1.00 0.00 C ATOM 856 C GLY A 58 1.896 -11.849 13.866 1.00 0.00 C ATOM 857 O GLY A 58 1.967 -13.055 14.106 1.00 0.00 O ATOM 0 H GLY A 58 2.466 -9.494 11.654 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.870 -10.997 12.192 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.098 -12.170 11.760 1.00 0.00 H new ATOM 861 N LYS A 59 1.837 -10.925 14.818 1.00 0.00 N ATOM 862 CA LYS A 59 1.852 -11.280 16.232 1.00 0.00 C ATOM 863 C LYS A 59 0.436 -11.320 16.798 1.00 0.00 C ATOM 864 O LYS A 59 0.061 -12.261 17.496 1.00 0.00 O ATOM 865 CB LYS A 59 2.700 -10.281 17.022 1.00 0.00 C ATOM 866 CG LYS A 59 4.194 -10.541 16.925 1.00 0.00 C ATOM 867 CD LYS A 59 4.970 -9.718 17.939 1.00 0.00 C ATOM 868 CE LYS A 59 6.470 -9.925 17.794 1.00 0.00 C ATOM 869 NZ LYS A 59 7.001 -9.287 16.557 1.00 0.00 N ATOM 0 H LYS A 59 1.778 -9.923 14.636 1.00 0.00 H new ATOM 0 HA LYS A 59 2.291 -12.273 16.326 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.491 -9.274 16.661 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.401 -10.312 18.070 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.391 -11.601 17.088 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.541 -10.303 15.920 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.733 -8.662 17.810 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.659 -9.993 18.947 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.980 -9.511 18.664 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.689 -10.993 17.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.950 -8.904 16.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.057 -9.995 15.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.367 -8.516 16.265 1.00 0.00 H new ATOM 883 N GLY A 60 -0.348 -10.290 16.491 1.00 0.00 N ATOM 884 CA GLY A 60 -1.715 -10.228 16.976 1.00 0.00 C ATOM 885 C GLY A 60 -1.867 -9.297 18.162 1.00 0.00 C ATOM 886 O GLY A 60 -2.593 -9.600 19.108 1.00 0.00 O ATOM 0 H GLY A 60 -0.061 -9.498 15.916 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.369 -9.894 16.170 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.043 -11.228 17.259 1.00 0.00 H new ATOM 890 N ASN A 61 -1.179 -8.161 18.112 1.00 0.00 N ATOM 891 CA ASN A 61 -1.240 -7.183 19.193 1.00 0.00 C ATOM 892 C ASN A 61 -1.828 -5.864 18.701 1.00 0.00 C ATOM 893 O ASN A 61 -2.667 -5.259 19.367 1.00 0.00 O ATOM 894 CB ASN A 61 0.156 -6.946 19.773 1.00 0.00 C ATOM 895 CG ASN A 61 0.978 -5.990 18.931 1.00 0.00 C ATOM 896 OD1 ASN A 61 0.687 -4.796 18.864 1.00 0.00 O ATOM 897 ND2 ASN A 61 2.012 -6.513 18.282 1.00 0.00 N ATOM 0 H ASN A 61 -0.573 -7.895 17.336 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.889 -7.581 19.973 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.064 -6.548 20.784 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.680 -7.899 19.852 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.602 -5.919 17.699 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.216 -7.509 18.367 1.00 0.00 H new ATOM 904 N GLY A 62 -1.382 -5.424 17.528 1.00 0.00 N ATOM 905 CA GLY A 62 -1.876 -4.180 16.966 1.00 0.00 C ATOM 906 C GLY A 62 -0.801 -3.114 16.885 1.00 0.00 C ATOM 907 O GLY A 62 -1.091 -1.923 16.992 1.00 0.00 O ATOM 0 H GLY A 62 -0.688 -5.906 16.957 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.273 -4.368 15.968 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.703 -3.813 17.574 1.00 0.00 H new ATOM 911 N GLU A 63 0.443 -3.543 16.696 1.00 0.00 N ATOM 912 CA GLU A 63 1.564 -2.616 16.604 1.00 0.00 C ATOM 913 C GLU A 63 2.257 -2.733 15.249 1.00 0.00 C ATOM 914 O GLU A 63 2.905 -3.738 14.956 1.00 0.00 O ATOM 915 CB GLU A 63 2.569 -2.881 17.727 1.00 0.00 C ATOM 916 CG GLU A 63 2.196 -2.222 19.045 1.00 0.00 C ATOM 917 CD GLU A 63 2.571 -0.754 19.089 1.00 0.00 C ATOM 918 OE1 GLU A 63 3.783 -0.450 19.086 1.00 0.00 O ATOM 919 OE2 GLU A 63 1.653 0.092 19.127 1.00 0.00 O ATOM 0 H GLU A 63 0.699 -4.526 16.604 1.00 0.00 H new ATOM 0 HA GLU A 63 1.173 -1.604 16.708 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.655 -3.957 17.880 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.551 -2.523 17.417 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.123 -2.324 19.207 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.693 -2.745 19.862 1.00 0.00 H new ATOM 926 N PHE A 64 2.115 -1.699 14.427 1.00 0.00 N ATOM 927 CA PHE A 64 2.725 -1.686 13.103 1.00 0.00 C ATOM 928 C PHE A 64 4.112 -1.052 13.149 1.00 0.00 C ATOM 929 O PHE A 64 4.285 0.051 13.669 1.00 0.00 O ATOM 930 CB PHE A 64 1.837 -0.924 12.116 1.00 0.00 C ATOM 931 CG PHE A 64 0.581 -1.661 11.748 1.00 0.00 C ATOM 932 CD1 PHE A 64 -0.452 -1.796 12.661 1.00 0.00 C ATOM 933 CD2 PHE A 64 0.434 -2.219 10.488 1.00 0.00 C ATOM 934 CE1 PHE A 64 -1.608 -2.474 12.325 1.00 0.00 C ATOM 935 CE2 PHE A 64 -0.720 -2.898 10.146 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.743 -3.025 11.065 1.00 0.00 C ATOM 0 H PHE A 64 1.583 -0.859 14.654 1.00 0.00 H new ATOM 0 HA PHE A 64 2.827 -2.718 12.768 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.570 0.040 12.549 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.407 -0.719 11.210 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.353 -1.366 13.647 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.230 -2.122 9.765 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.405 -2.573 13.047 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.822 -3.329 9.161 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.646 -3.554 10.799 1.00 0.00 H new ATOM 946 N CYS A 65 5.097 -1.757 12.603 1.00 0.00 N ATOM 947 CA CYS A 65 6.470 -1.266 12.583 1.00 0.00 C ATOM 948 C CYS A 65 7.081 -1.416 11.194 1.00 0.00 C ATOM 949 O CYS A 65 6.673 -2.278 10.417 1.00 0.00 O ATOM 950 CB CYS A 65 7.317 -2.016 13.611 1.00 0.00 C ATOM 951 SG CYS A 65 7.042 -1.493 15.320 1.00 0.00 S ATOM 0 H CYS A 65 4.970 -2.671 12.168 1.00 0.00 H new ATOM 0 HA CYS A 65 6.455 -0.207 12.840 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.106 -3.082 13.531 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.370 -1.880 13.366 1.00 0.00 H new ATOM 0 HG CYS A 65 7.802 -2.187 16.114 1.00 0.00 H new ATOM 957 N GLN A 66 8.060 -0.571 10.889 1.00 0.00 N ATOM 958 CA GLN A 66 8.726 -0.609 9.593 1.00 0.00 C ATOM 959 C GLN A 66 9.009 -2.047 9.168 1.00 0.00 C ATOM 960 O GLN A 66 9.775 -2.757 9.819 1.00 0.00 O ATOM 961 CB GLN A 66 10.032 0.186 9.642 1.00 0.00 C ATOM 962 CG GLN A 66 10.467 0.726 8.289 1.00 0.00 C ATOM 963 CD GLN A 66 11.431 1.890 8.408 1.00 0.00 C ATOM 964 OE1 GLN A 66 11.209 2.818 9.186 1.00 0.00 O ATOM 965 NE2 GLN A 66 12.509 1.847 7.634 1.00 0.00 N ATOM 0 H GLN A 66 8.410 0.148 11.522 1.00 0.00 H new ATOM 0 HA GLN A 66 8.060 -0.156 8.858 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.915 1.019 10.336 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.821 -0.452 10.040 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.938 -0.074 7.717 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.587 1.043 7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.653 1.058 7.004 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.193 2.603 7.670 1.00 0.00 H new ATOM 974 N CYS A 67 8.385 -2.468 8.074 1.00 0.00 N ATOM 975 CA CYS A 67 8.568 -3.822 7.563 1.00 0.00 C ATOM 976 C CYS A 67 9.609 -3.846 6.448 1.00 0.00 C ATOM 977 O CYS A 67 10.565 -4.621 6.494 1.00 0.00 O ATOM 978 CB CYS A 67 7.240 -4.380 7.049 1.00 0.00 C ATOM 979 SG CYS A 67 7.244 -6.168 6.783 1.00 0.00 S ATOM 0 H CYS A 67 7.748 -1.892 7.524 1.00 0.00 H new ATOM 0 HA CYS A 67 8.924 -4.448 8.382 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.454 -4.131 7.762 1.00 0.00 H new ATOM 0 HB3 CYS A 67 6.989 -3.885 6.111 1.00 0.00 H new ATOM 0 HG CYS A 67 6.845 -6.769 7.865 1.00 0.00 H new ATOM 985 N TYR A 68 9.416 -2.994 5.448 1.00 0.00 N ATOM 986 CA TYR A 68 10.336 -2.920 4.319 1.00 0.00 C ATOM 987 C TYR A 68 10.305 -1.534 3.681 1.00 0.00 C ATOM 988 O TYR A 68 9.247 -1.040 3.294 1.00 0.00 O ATOM 989 CB TYR A 68 9.983 -3.981 3.276 1.00 0.00 C ATOM 990 CG TYR A 68 10.749 -3.836 1.980 1.00 0.00 C ATOM 991 CD1 TYR A 68 10.410 -2.857 1.055 1.00 0.00 C ATOM 992 CD2 TYR A 68 11.814 -4.678 1.682 1.00 0.00 C ATOM 993 CE1 TYR A 68 11.107 -2.722 -0.130 1.00 0.00 C ATOM 994 CE2 TYR A 68 12.518 -4.549 0.501 1.00 0.00 C ATOM 995 CZ TYR A 68 12.160 -3.570 -0.402 1.00 0.00 C ATOM 996 OH TYR A 68 12.858 -3.437 -1.581 1.00 0.00 O ATOM 0 H TYR A 68 8.631 -2.345 5.396 1.00 0.00 H new ATOM 0 HA TYR A 68 11.343 -3.107 4.691 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.178 -4.968 3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.915 -3.929 3.065 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.587 -2.190 1.266 1.00 0.00 H new ATOM 0 HD2 TYR A 68 12.096 -5.447 2.386 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.829 -1.957 -0.839 1.00 0.00 H new ATOM 0 HE2 TYR A 68 13.344 -5.211 0.286 1.00 0.00 H new ATOM 0 HH TYR A 68 13.569 -4.110 -1.618 1.00 0.00 H new ATOM 1006 N MET A 69 11.475 -0.913 3.574 1.00 0.00 N ATOM 1007 CA MET A 69 11.584 0.415 2.982 1.00 0.00 C ATOM 1008 C MET A 69 12.634 0.433 1.876 1.00 0.00 C ATOM 1009 O MET A 69 13.795 0.098 2.104 1.00 0.00 O ATOM 1010 CB MET A 69 11.938 1.448 4.054 1.00 0.00 C ATOM 1011 CG MET A 69 12.047 2.866 3.518 1.00 0.00 C ATOM 1012 SD MET A 69 12.021 4.107 4.827 1.00 0.00 S ATOM 1013 CE MET A 69 12.631 5.542 3.945 1.00 0.00 C ATOM 0 H MET A 69 12.361 -1.308 3.890 1.00 0.00 H new ATOM 0 HA MET A 69 10.618 0.671 2.546 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.180 1.421 4.837 1.00 0.00 H new ATOM 0 HB3 MET A 69 12.885 1.169 4.517 1.00 0.00 H new ATOM 0 HG2 MET A 69 12.970 2.965 2.947 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.224 3.054 2.828 1.00 0.00 H new ATOM 0 HE1 MET A 69 13.415 6.022 4.530 1.00 0.00 H new ATOM 0 HE2 MET A 69 13.035 5.232 2.981 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.814 6.246 3.786 1.00 0.00 H new ATOM 1023 N GLY A 70 12.217 0.826 0.675 1.00 0.00 N ATOM 1024 CA GLY A 70 13.134 0.879 -0.448 1.00 0.00 C ATOM 1025 C GLY A 70 12.479 1.414 -1.706 1.00 0.00 C ATOM 1026 O GLY A 70 11.463 2.105 -1.639 1.00 0.00 O ATOM 0 H GLY A 70 11.261 1.108 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.985 1.509 -0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.524 -0.120 -0.642 1.00 0.00 H new ATOM 1030 N SER A 71 13.063 1.095 -2.857 1.00 0.00 N ATOM 1031 CA SER A 71 12.534 1.553 -4.136 1.00 0.00 C ATOM 1032 C SER A 71 11.612 0.502 -4.749 1.00 0.00 C ATOM 1033 O SER A 71 10.546 0.827 -5.271 1.00 0.00 O ATOM 1034 CB SER A 71 13.677 1.871 -5.101 1.00 0.00 C ATOM 1035 OG SER A 71 13.180 2.264 -6.368 1.00 0.00 O ATOM 0 H SER A 71 13.903 0.521 -2.930 1.00 0.00 H new ATOM 0 HA SER A 71 11.956 2.460 -3.959 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.296 2.667 -4.687 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.317 0.996 -5.213 1.00 0.00 H new ATOM 0 HG SER A 71 13.930 2.463 -6.966 1.00 0.00 H new ATOM 1041 N GLN A 72 12.033 -0.756 -4.682 1.00 0.00 N ATOM 1042 CA GLN A 72 11.247 -1.854 -5.232 1.00 0.00 C ATOM 1043 C GLN A 72 9.782 -1.732 -4.826 1.00 0.00 C ATOM 1044 O GLN A 72 9.449 -1.035 -3.867 1.00 0.00 O ATOM 1045 CB GLN A 72 11.808 -3.197 -4.761 1.00 0.00 C ATOM 1046 CG GLN A 72 13.096 -3.598 -5.462 1.00 0.00 C ATOM 1047 CD GLN A 72 12.847 -4.394 -6.728 1.00 0.00 C ATOM 1048 OE1 GLN A 72 11.739 -4.877 -6.964 1.00 0.00 O ATOM 1049 NE2 GLN A 72 13.880 -4.536 -7.551 1.00 0.00 N ATOM 0 H GLN A 72 12.913 -1.041 -4.253 1.00 0.00 H new ATOM 0 HA GLN A 72 11.310 -1.803 -6.319 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.988 -3.149 -3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.059 -3.972 -4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.666 -2.702 -5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.708 -4.189 -4.780 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.781 -4.119 -7.316 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.773 -5.062 -8.418 1.00 0.00 H new ATOM 1058 N LYS A 73 8.910 -2.412 -5.562 1.00 0.00 N ATOM 1059 CA LYS A 73 7.480 -2.381 -5.279 1.00 0.00 C ATOM 1060 C LYS A 73 6.993 -3.740 -4.788 1.00 0.00 C ATOM 1061 O LYS A 73 5.833 -3.892 -4.404 1.00 0.00 O ATOM 1062 CB LYS A 73 6.701 -1.969 -6.530 1.00 0.00 C ATOM 1063 CG LYS A 73 6.947 -0.531 -6.954 1.00 0.00 C ATOM 1064 CD LYS A 73 5.888 -0.049 -7.931 1.00 0.00 C ATOM 1065 CE LYS A 73 6.462 0.944 -8.929 1.00 0.00 C ATOM 1066 NZ LYS A 73 5.408 1.822 -9.508 1.00 0.00 N ATOM 0 H LYS A 73 9.169 -2.992 -6.360 1.00 0.00 H new ATOM 0 HA LYS A 73 7.306 -1.647 -4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.972 -2.632 -7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.636 -2.108 -6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.952 0.113 -6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.932 -0.450 -7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.469 -0.902 -8.465 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.070 0.417 -7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.216 1.558 -8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.965 0.403 -9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.766 2.796 -9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.154 1.480 -10.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.567 1.804 -8.896 1.00 0.00 H new ATOM 1080 N GLN A 74 7.886 -4.725 -4.802 1.00 0.00 N ATOM 1081 CA GLN A 74 7.545 -6.071 -4.358 1.00 0.00 C ATOM 1082 C GLN A 74 8.529 -6.560 -3.300 1.00 0.00 C ATOM 1083 O GLN A 74 9.744 -6.449 -3.469 1.00 0.00 O ATOM 1084 CB GLN A 74 7.533 -7.035 -5.545 1.00 0.00 C ATOM 1085 CG GLN A 74 7.598 -8.499 -5.141 1.00 0.00 C ATOM 1086 CD GLN A 74 9.015 -8.969 -4.879 1.00 0.00 C ATOM 1087 OE1 GLN A 74 9.901 -8.809 -5.720 1.00 0.00 O ATOM 1088 NE2 GLN A 74 9.238 -9.554 -3.707 1.00 0.00 N ATOM 0 H GLN A 74 8.850 -4.616 -5.116 1.00 0.00 H new ATOM 0 HA GLN A 74 6.549 -6.039 -3.915 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.628 -6.868 -6.129 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.378 -6.808 -6.195 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.997 -8.652 -4.245 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.156 -9.109 -5.929 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.475 -9.666 -3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.172 -9.891 -3.475 1.00 0.00 H new ATOM 1097 N PHE A 75 7.997 -7.101 -2.209 1.00 0.00 N ATOM 1098 CA PHE A 75 8.829 -7.606 -1.123 1.00 0.00 C ATOM 1099 C PHE A 75 8.314 -8.954 -0.626 1.00 0.00 C ATOM 1100 O PHE A 75 7.140 -9.096 -0.285 1.00 0.00 O ATOM 1101 CB PHE A 75 8.862 -6.603 0.031 1.00 0.00 C ATOM 1102 CG PHE A 75 9.394 -7.179 1.312 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.436 -8.093 1.295 1.00 0.00 C ATOM 1104 CD2 PHE A 75 8.854 -6.808 2.532 1.00 0.00 C ATOM 1105 CE1 PHE A 75 10.927 -8.626 2.472 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.342 -7.337 3.713 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.380 -8.246 3.682 1.00 0.00 C ATOM 0 H PHE A 75 6.994 -7.201 -2.053 1.00 0.00 H new ATOM 0 HA PHE A 75 9.840 -7.742 -1.506 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.477 -5.750 -0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.854 -6.226 0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.869 -8.392 0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.042 -6.097 2.562 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.738 -9.339 2.446 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.912 -7.039 4.658 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.764 -8.660 4.603 1.00 0.00 H new ATOM 1117 N LYS A 76 9.202 -9.942 -0.588 1.00 0.00 N ATOM 1118 CA LYS A 76 8.840 -11.279 -0.132 1.00 0.00 C ATOM 1119 C LYS A 76 9.311 -11.511 1.300 1.00 0.00 C ATOM 1120 O LYS A 76 10.498 -11.724 1.546 1.00 0.00 O ATOM 1121 CB LYS A 76 9.447 -12.337 -1.057 1.00 0.00 C ATOM 1122 CG LYS A 76 9.187 -13.763 -0.603 1.00 0.00 C ATOM 1123 CD LYS A 76 9.724 -14.773 -1.603 1.00 0.00 C ATOM 1124 CE LYS A 76 10.015 -16.111 -0.942 1.00 0.00 C ATOM 1125 NZ LYS A 76 10.576 -17.096 -1.907 1.00 0.00 N ATOM 0 H LYS A 76 10.178 -9.842 -0.868 1.00 0.00 H new ATOM 0 HA LYS A 76 7.754 -11.363 -0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.043 -12.205 -2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.523 -12.176 -1.123 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.654 -13.928 0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.116 -13.914 -0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.000 -14.912 -2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.635 -14.386 -2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.718 -15.966 -0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.097 -16.509 -0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.761 -17.995 -1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.895 -17.254 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.465 -16.728 -2.302 1.00 0.00 H new ATOM 1139 N ILE A 77 8.373 -11.470 2.240 1.00 0.00 N ATOM 1140 CA ILE A 77 8.692 -11.679 3.647 1.00 0.00 C ATOM 1141 C ILE A 77 8.809 -13.165 3.970 1.00 0.00 C ATOM 1142 O ILE A 77 7.810 -13.882 4.019 1.00 0.00 O ATOM 1143 CB ILE A 77 7.629 -11.049 4.565 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.634 -9.526 4.418 1.00 0.00 C ATOM 1145 CG2 ILE A 77 7.875 -11.447 6.013 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.285 -8.889 4.669 1.00 0.00 C ATOM 0 H ILE A 77 7.386 -11.294 2.053 1.00 0.00 H new ATOM 0 HA ILE A 77 9.651 -11.193 3.828 1.00 0.00 H new ATOM 0 HB ILE A 77 6.648 -11.421 4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.360 -9.105 5.113 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.967 -9.267 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.115 -10.993 6.649 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.825 -12.532 6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.861 -11.101 6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.364 -7.809 4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.559 -9.282 3.957 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.958 -9.117 5.684 1.00 0.00 H new ATOM 1158 N THR A 78 10.038 -13.622 4.190 1.00 0.00 N ATOM 1159 CA THR A 78 10.287 -15.022 4.509 1.00 0.00 C ATOM 1160 C THR A 78 10.373 -15.236 6.015 1.00 0.00 C ATOM 1161 O THR A 78 10.159 -14.310 6.798 1.00 0.00 O ATOM 1162 CB THR A 78 11.589 -15.524 3.855 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.665 -14.628 4.155 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.427 -15.644 2.348 1.00 0.00 C ATOM 0 H THR A 78 10.876 -13.042 4.153 1.00 0.00 H new ATOM 0 HA THR A 78 9.446 -15.591 4.112 1.00 0.00 H new ATOM 0 HB THR A 78 11.815 -16.511 4.259 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.489 -14.955 3.737 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.359 -16.000 1.909 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.627 -16.350 2.123 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.178 -14.669 1.930 1.00 0.00 H new ATOM 1172 N LYS A 79 10.688 -16.463 6.417 1.00 0.00 N ATOM 1173 CA LYS A 79 10.804 -16.800 7.831 1.00 0.00 C ATOM 1174 C LYS A 79 9.473 -16.600 8.549 1.00 0.00 C ATOM 1175 O LYS A 79 9.415 -15.971 9.606 1.00 0.00 O ATOM 1176 CB LYS A 79 11.886 -15.944 8.493 1.00 0.00 C ATOM 1177 CG LYS A 79 13.299 -16.332 8.091 1.00 0.00 C ATOM 1178 CD LYS A 79 14.304 -15.970 9.171 1.00 0.00 C ATOM 1179 CE LYS A 79 15.698 -15.777 8.593 1.00 0.00 C ATOM 1180 NZ LYS A 79 15.879 -14.414 8.022 1.00 0.00 N ATOM 0 H LYS A 79 10.868 -17.241 5.783 1.00 0.00 H new ATOM 0 HA LYS A 79 11.083 -17.851 7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.718 -14.898 8.236 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.790 -16.025 9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.342 -17.404 7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.565 -15.829 7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.987 -15.056 9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.328 -16.756 9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.441 -15.945 9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.876 -16.522 7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.841 -14.323 7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.187 -14.262 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.735 -13.703 8.768 1.00 0.00 H new ATOM 1194 N LEU A 80 8.407 -17.141 7.969 1.00 0.00 N ATOM 1195 CA LEU A 80 7.076 -17.023 8.555 1.00 0.00 C ATOM 1196 C LEU A 80 6.520 -18.395 8.925 1.00 0.00 C ATOM 1197 O LEU A 80 7.173 -19.417 8.715 1.00 0.00 O ATOM 1198 CB LEU A 80 6.128 -16.322 7.580 1.00 0.00 C ATOM 1199 CG LEU A 80 6.532 -14.912 7.148 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.608 -14.404 6.052 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.520 -13.965 8.340 1.00 0.00 C ATOM 0 H LEU A 80 8.438 -17.665 7.094 1.00 0.00 H new ATOM 0 HA LEU A 80 7.158 -16.427 9.464 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.034 -16.941 6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.140 -16.271 8.038 1.00 0.00 H new ATOM 0 HG LEU A 80 7.546 -14.951 6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.911 -13.399 5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.667 -15.068 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.583 -14.380 6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.810 -12.966 8.014 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.518 -13.931 8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.224 -14.319 9.093 1.00 0.00 H new ATOM 1213 N SER A 81 5.310 -18.409 9.473 1.00 0.00 N ATOM 1214 CA SER A 81 4.667 -19.655 9.873 1.00 0.00 C ATOM 1215 C SER A 81 3.265 -19.758 9.280 1.00 0.00 C ATOM 1216 O SER A 81 2.585 -18.758 9.052 1.00 0.00 O ATOM 1217 CB SER A 81 4.595 -19.750 11.399 1.00 0.00 C ATOM 1218 OG SER A 81 5.875 -19.571 11.981 1.00 0.00 O ATOM 0 H SER A 81 4.755 -17.572 9.650 1.00 0.00 H new ATOM 0 HA SER A 81 5.266 -20.482 9.492 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.909 -18.994 11.782 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.193 -20.721 11.688 1.00 0.00 H new ATOM 0 HG SER A 81 5.803 -19.634 12.956 1.00 0.00 H new ATOM 1224 N PRO A 82 2.821 -20.998 9.023 1.00 0.00 N ATOM 1225 CA PRO A 82 1.497 -21.262 8.454 1.00 0.00 C ATOM 1226 C PRO A 82 0.372 -20.957 9.436 1.00 0.00 C ATOM 1227 O PRO A 82 0.507 -21.183 10.639 1.00 0.00 O ATOM 1228 CB PRO A 82 1.539 -22.759 8.137 1.00 0.00 C ATOM 1229 CG PRO A 82 2.550 -23.317 9.079 1.00 0.00 C ATOM 1230 CD PRO A 82 3.578 -22.236 9.270 1.00 0.00 C ATOM 0 HA PRO A 82 1.294 -20.634 7.586 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.563 -23.222 8.283 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.824 -22.936 7.100 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.090 -23.590 10.029 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.005 -24.221 8.673 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.000 -22.255 10.275 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.409 -22.344 8.573 1.00 0.00 H new ATOM 1238 N ALA A 83 -0.739 -20.444 8.917 1.00 0.00 N ATOM 1239 CA ALA A 83 -1.888 -20.111 9.749 1.00 0.00 C ATOM 1240 C ALA A 83 -1.570 -18.950 10.685 1.00 0.00 C ATOM 1241 O ALA A 83 -1.984 -18.944 11.844 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.333 -21.328 10.546 1.00 0.00 C ATOM 0 H ALA A 83 -0.867 -20.250 7.924 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.703 -19.802 9.094 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.192 -21.065 11.163 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.610 -22.130 9.862 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.516 -21.663 11.185 1.00 0.00 H new ATOM 1248 N MET A 84 -0.833 -17.969 10.175 1.00 0.00 N ATOM 1249 CA MET A 84 -0.460 -16.803 10.967 1.00 0.00 C ATOM 1250 C MET A 84 -0.975 -15.520 10.321 1.00 0.00 C ATOM 1251 O MET A 84 -0.389 -15.016 9.365 1.00 0.00 O ATOM 1252 CB MET A 84 1.060 -16.732 11.126 1.00 0.00 C ATOM 1253 CG MET A 84 1.539 -15.476 11.835 1.00 0.00 C ATOM 1254 SD MET A 84 3.337 -15.351 11.888 1.00 0.00 S ATOM 1255 CE MET A 84 3.641 -14.258 10.502 1.00 0.00 C ATOM 0 H MET A 84 -0.482 -17.958 9.217 1.00 0.00 H new ATOM 0 HA MET A 84 -0.917 -16.903 11.952 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.400 -17.605 11.682 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.523 -16.782 10.140 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.133 -14.600 11.329 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.148 -15.466 12.852 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.498 -13.621 10.722 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.848 -14.850 9.610 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.762 -13.637 10.329 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.077 -14.997 10.852 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.652 -13.778 10.314 1.00 0.00 C ATOM 1267 C GLY A 85 -1.772 -12.567 10.552 1.00 0.00 C ATOM 1268 O GLY A 85 -1.533 -12.180 11.696 1.00 0.00 O ATOM 0 H GLY A 85 -2.581 -15.396 11.644 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.816 -13.899 9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.628 -13.609 10.769 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.287 -11.969 9.469 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.425 -10.796 9.565 1.00 0.00 C ATOM 1274 C CYS A 86 -0.978 -9.646 8.730 1.00 0.00 C ATOM 1275 O CYS A 86 -1.375 -9.834 7.580 1.00 0.00 O ATOM 1276 CB CYS A 86 0.993 -11.140 9.107 1.00 0.00 C ATOM 1277 SG CYS A 86 1.059 -12.167 7.621 1.00 0.00 S ATOM 0 H CYS A 86 -1.476 -12.277 8.515 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.395 -10.482 10.608 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.538 -10.214 8.921 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.509 -11.657 9.916 1.00 0.00 H new ATOM 0 HG CYS A 86 1.141 -11.406 6.571 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.002 -8.454 9.316 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.505 -7.272 8.627 1.00 0.00 C ATOM 1285 C LYS A 87 -0.361 -6.468 8.016 1.00 0.00 C ATOM 1286 O LYS A 87 0.782 -6.558 8.465 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.300 -6.392 9.595 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.683 -6.934 9.913 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.478 -5.965 10.772 1.00 0.00 C ATOM 1290 CE LYS A 87 -5.955 -6.325 10.799 1.00 0.00 C ATOM 1291 NZ LYS A 87 -6.683 -5.605 11.880 1.00 0.00 N ATOM 0 H LYS A 87 -0.678 -8.281 10.268 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.162 -7.604 7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.738 -6.287 10.523 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.399 -5.394 9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.222 -7.125 8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.590 -7.889 10.431 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.083 -5.970 11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.356 -4.952 10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.405 -6.084 9.836 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.064 -7.400 10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.686 -5.878 11.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.271 -5.854 12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.601 -4.579 11.730 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.677 -5.683 6.992 1.00 0.00 N ATOM 1306 CA PHE A 88 0.325 -4.863 6.321 1.00 0.00 C ATOM 1307 C PHE A 88 -0.262 -3.518 5.905 1.00 0.00 C ATOM 1308 O PHE A 88 -1.462 -3.281 6.050 1.00 0.00 O ATOM 1309 CB PHE A 88 0.874 -5.594 5.094 1.00 0.00 C ATOM 1310 CG PHE A 88 1.338 -6.992 5.387 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.431 -8.038 5.450 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.680 -7.261 5.599 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.854 -9.326 5.719 1.00 0.00 C ATOM 1314 CE2 PHE A 88 3.110 -8.547 5.868 1.00 0.00 C ATOM 1315 CZ PHE A 88 2.195 -9.580 5.929 1.00 0.00 C ATOM 0 H PHE A 88 -1.618 -5.597 6.609 1.00 0.00 H new ATOM 0 HA PHE A 88 1.139 -4.682 7.023 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.101 -5.630 4.326 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.706 -5.022 4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.619 -7.844 5.287 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.399 -6.456 5.554 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.137 -10.132 5.765 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.159 -8.744 6.030 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.528 -10.585 6.141 1.00 0.00 H new ATOM 1325 N ARG A 89 0.591 -2.641 5.387 1.00 0.00 N ATOM 1326 CA ARG A 89 0.158 -1.319 4.951 1.00 0.00 C ATOM 1327 C ARG A 89 1.218 -0.661 4.073 1.00 0.00 C ATOM 1328 O ARG A 89 2.418 -0.833 4.294 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.139 -0.431 6.161 1.00 0.00 C ATOM 1330 CG ARG A 89 1.082 -0.143 7.020 1.00 0.00 C ATOM 1331 CD ARG A 89 0.765 0.855 8.122 1.00 0.00 C ATOM 1332 NE ARG A 89 -0.162 0.306 9.108 1.00 0.00 N ATOM 1333 CZ ARG A 89 -0.706 1.024 10.084 1.00 0.00 C ATOM 1334 NH1 ARG A 89 -0.418 2.312 10.205 1.00 0.00 N ATOM 1335 NH2 ARG A 89 -1.542 0.452 10.942 1.00 0.00 N ATOM 0 H ARG A 89 1.587 -2.822 5.259 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.753 -1.439 4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.559 0.513 5.814 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.900 -0.912 6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.445 -1.071 7.462 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.885 0.247 6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.689 1.152 8.619 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.336 1.756 7.683 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.405 -0.683 9.044 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.223 2.755 9.547 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.838 2.860 10.956 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.767 -0.539 10.852 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.960 1.003 11.692 1.00 0.00 H new ATOM 1349 N LEU A 90 0.769 0.092 3.075 1.00 0.00 N ATOM 1350 CA LEU A 90 1.678 0.776 2.163 1.00 0.00 C ATOM 1351 C LEU A 90 1.507 2.289 2.255 1.00 0.00 C ATOM 1352 O LEU A 90 0.397 2.788 2.438 1.00 0.00 O ATOM 1353 CB LEU A 90 1.436 0.310 0.726 1.00 0.00 C ATOM 1354 CG LEU A 90 2.404 0.850 -0.327 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.762 0.179 -0.198 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.838 0.649 -1.725 1.00 0.00 C ATOM 0 H LEU A 90 -0.220 0.244 2.877 1.00 0.00 H new ATOM 0 HA LEU A 90 2.699 0.527 2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.480 -0.779 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.423 0.594 0.439 1.00 0.00 H new ATOM 0 HG LEU A 90 2.533 1.919 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.438 0.576 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.172 0.375 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.651 -0.896 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.540 1.039 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.679 -0.414 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.889 1.178 -1.813 1.00 0.00 H new ATOM 1368 N SER A 91 2.614 3.014 2.124 1.00 0.00 N ATOM 1369 CA SER A 91 2.586 4.470 2.194 1.00 0.00 C ATOM 1370 C SER A 91 3.699 5.076 1.343 1.00 0.00 C ATOM 1371 O SER A 91 4.820 4.568 1.315 1.00 0.00 O ATOM 1372 CB SER A 91 2.728 4.935 3.644 1.00 0.00 C ATOM 1373 OG SER A 91 4.043 4.717 4.124 1.00 0.00 O ATOM 0 H SER A 91 3.541 2.617 1.969 1.00 0.00 H new ATOM 0 HA SER A 91 1.627 4.809 1.803 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.483 5.995 3.715 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.015 4.400 4.272 1.00 0.00 H new ATOM 0 HG SER A 91 4.003 4.302 5.011 1.00 0.00 H new ATOM 1379 N ALA A 92 3.380 6.164 0.651 1.00 0.00 N ATOM 1380 CA ALA A 92 4.352 6.841 -0.199 1.00 0.00 C ATOM 1381 C ALA A 92 4.860 8.120 0.459 1.00 0.00 C ATOM 1382 O ALA A 92 4.074 8.929 0.954 1.00 0.00 O ATOM 1383 CB ALA A 92 3.740 7.151 -1.557 1.00 0.00 C ATOM 0 H ALA A 92 2.456 6.596 0.662 1.00 0.00 H new ATOM 0 HA ALA A 92 5.202 6.173 -0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.477 7.656 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.433 6.222 -2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.872 7.797 -1.426 1.00 0.00 H new ATOM 1389 N ARG A 93 6.177 8.295 0.462 1.00 0.00 N ATOM 1390 CA ARG A 93 6.789 9.475 1.061 1.00 0.00 C ATOM 1391 C ARG A 93 7.656 10.213 0.045 1.00 0.00 C ATOM 1392 O ARG A 93 8.506 9.614 -0.612 1.00 0.00 O ATOM 1393 CB ARG A 93 7.633 9.078 2.274 1.00 0.00 C ATOM 1394 CG ARG A 93 8.494 10.208 2.813 1.00 0.00 C ATOM 1395 CD ARG A 93 9.705 9.676 3.563 1.00 0.00 C ATOM 1396 NE ARG A 93 10.163 10.606 4.593 1.00 0.00 N ATOM 1397 CZ ARG A 93 10.890 10.239 5.642 1.00 0.00 C ATOM 1398 NH1 ARG A 93 11.242 8.971 5.799 1.00 0.00 N ATOM 1399 NH2 ARG A 93 11.268 11.143 6.537 1.00 0.00 N ATOM 0 H ARG A 93 6.841 7.635 0.057 1.00 0.00 H new ATOM 0 HA ARG A 93 5.990 10.143 1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.972 8.726 3.066 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.276 8.241 2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.824 10.840 1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.899 10.835 3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.455 8.720 4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.515 9.489 2.858 1.00 0.00 H new ATOM 0 HE ARG A 93 9.911 11.590 4.501 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.955 8.273 5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.800 8.693 6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.000 12.120 6.419 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.826 10.861 7.343 1.00 0.00 H new ATOM 1413 N ASN A 94 7.433 11.517 -0.079 1.00 0.00 N ATOM 1414 CA ASN A 94 8.193 12.337 -1.015 1.00 0.00 C ATOM 1415 C ASN A 94 8.980 13.417 -0.279 1.00 0.00 C ATOM 1416 O ASN A 94 8.997 13.457 0.951 1.00 0.00 O ATOM 1417 CB ASN A 94 7.255 12.981 -2.039 1.00 0.00 C ATOM 1418 CG ASN A 94 6.087 13.692 -1.384 1.00 0.00 C ATOM 1419 OD1 ASN A 94 5.891 13.603 -0.172 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.303 14.404 -2.186 1.00 0.00 N ATOM 0 H ASN A 94 6.732 12.029 0.457 1.00 0.00 H new ATOM 0 HA ASN A 94 8.899 11.690 -1.535 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.816 13.692 -2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.877 12.214 -2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.501 14.905 -1.803 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.503 14.450 -3.185 1.00 0.00 H new ATOM 1427 N ASP A 95 9.628 14.292 -1.041 1.00 0.00 N ATOM 1428 CA ASP A 95 10.415 15.374 -0.461 1.00 0.00 C ATOM 1429 C ASP A 95 9.633 16.087 0.637 1.00 0.00 C ATOM 1430 O ASP A 95 10.213 16.763 1.488 1.00 0.00 O ATOM 1431 CB ASP A 95 10.823 16.373 -1.545 1.00 0.00 C ATOM 1432 CG ASP A 95 12.062 15.934 -2.301 1.00 0.00 C ATOM 1433 OD1 ASP A 95 13.178 16.279 -1.860 1.00 0.00 O ATOM 1434 OD2 ASP A 95 11.915 15.246 -3.333 1.00 0.00 O ATOM 0 H ASP A 95 9.624 14.273 -2.061 1.00 0.00 H new ATOM 0 HA ASP A 95 11.313 14.941 -0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.999 16.500 -2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.005 17.346 -1.088 1.00 0.00 H new ATOM 1439 N TYR A 96 8.314 15.934 0.612 1.00 0.00 N ATOM 1440 CA TYR A 96 7.451 16.566 1.603 1.00 0.00 C ATOM 1441 C TYR A 96 7.348 15.709 2.861 1.00 0.00 C ATOM 1442 O TYR A 96 7.802 16.104 3.934 1.00 0.00 O ATOM 1443 CB TYR A 96 6.058 16.805 1.019 1.00 0.00 C ATOM 1444 CG TYR A 96 6.028 17.857 -0.066 1.00 0.00 C ATOM 1445 CD1 TYR A 96 6.651 17.641 -1.289 1.00 0.00 C ATOM 1446 CD2 TYR A 96 5.375 19.068 0.131 1.00 0.00 C ATOM 1447 CE1 TYR A 96 6.627 18.600 -2.282 1.00 0.00 C ATOM 1448 CE2 TYR A 96 5.344 20.032 -0.857 1.00 0.00 C ATOM 1449 CZ TYR A 96 5.972 19.794 -2.062 1.00 0.00 C ATOM 1450 OH TYR A 96 5.945 20.752 -3.050 1.00 0.00 O ATOM 0 H TYR A 96 7.818 15.377 -0.084 1.00 0.00 H new ATOM 0 HA TYR A 96 7.893 17.525 1.874 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.677 15.867 0.615 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.383 17.103 1.821 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.163 16.707 -1.466 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.883 19.258 1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.118 18.416 -3.226 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.831 20.967 -0.687 1.00 0.00 H new ATOM 0 HH TYR A 96 5.442 21.532 -2.735 1.00 0.00 H new ATOM 1460 N GLY A 97 6.747 14.532 2.719 1.00 0.00 N ATOM 1461 CA GLY A 97 6.594 13.636 3.851 1.00 0.00 C ATOM 1462 C GLY A 97 5.825 12.379 3.496 1.00 0.00 C ATOM 1463 O GLY A 97 5.315 12.247 2.383 1.00 0.00 O ATOM 0 H GLY A 97 6.363 14.183 1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.579 13.361 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.078 14.158 4.657 1.00 0.00 H new ATOM 1467 N THR A 98 5.742 11.450 4.443 1.00 0.00 N ATOM 1468 CA THR A 98 5.033 10.196 4.224 1.00 0.00 C ATOM 1469 C THR A 98 3.524 10.401 4.281 1.00 0.00 C ATOM 1470 O THR A 98 2.976 10.763 5.322 1.00 0.00 O ATOM 1471 CB THR A 98 5.435 9.134 5.265 1.00 0.00 C ATOM 1472 OG1 THR A 98 6.797 9.328 5.662 1.00 0.00 O ATOM 1473 CG2 THR A 98 5.260 7.731 4.702 1.00 0.00 C ATOM 0 H THR A 98 6.158 11.543 5.370 1.00 0.00 H new ATOM 0 HA THR A 98 5.312 9.844 3.231 1.00 0.00 H new ATOM 0 HB THR A 98 4.785 9.244 6.133 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.044 8.650 6.325 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.550 6.998 5.455 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.216 7.576 4.428 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.888 7.612 3.819 1.00 0.00 H new ATOM 1481 N SER A 99 2.856 10.166 3.156 1.00 0.00 N ATOM 1482 CA SER A 99 1.409 10.328 3.077 1.00 0.00 C ATOM 1483 C SER A 99 0.696 9.230 3.860 1.00 0.00 C ATOM 1484 O SER A 99 1.242 8.148 4.071 1.00 0.00 O ATOM 1485 CB SER A 99 0.951 10.309 1.618 1.00 0.00 C ATOM 1486 OG SER A 99 1.196 9.046 1.023 1.00 0.00 O ATOM 0 H SER A 99 3.294 9.863 2.286 1.00 0.00 H new ATOM 0 HA SER A 99 1.152 11.291 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.113 10.539 1.565 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.474 11.085 1.059 1.00 0.00 H new ATOM 0 HG SER A 99 2.162 8.901 0.949 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.529 9.518 4.290 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.298 8.546 5.046 1.00 0.00 C ATOM 1494 C GLY A 100 -1.064 7.126 4.570 1.00 0.00 C ATOM 1495 O GLY A 100 -0.812 6.893 3.388 1.00 0.00 O ATOM 0 H GLY A 100 -1.003 10.407 4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.035 8.620 6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.359 8.783 4.964 1.00 0.00 H new ATOM 1499 N PHE A 101 -1.144 6.174 5.494 1.00 0.00 N ATOM 1500 CA PHE A 101 -0.937 4.769 5.164 1.00 0.00 C ATOM 1501 C PHE A 101 -2.218 4.143 4.619 1.00 0.00 C ATOM 1502 O PHE A 101 -3.308 4.387 5.136 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.463 3.998 6.397 1.00 0.00 C ATOM 1504 CG PHE A 101 0.920 4.374 6.845 1.00 0.00 C ATOM 1505 CD1 PHE A 101 1.129 5.504 7.619 1.00 0.00 C ATOM 1506 CD2 PHE A 101 2.012 3.597 6.491 1.00 0.00 C ATOM 1507 CE1 PHE A 101 2.401 5.853 8.033 1.00 0.00 C ATOM 1508 CE2 PHE A 101 3.286 3.941 6.902 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.481 5.070 7.673 1.00 0.00 C ATOM 0 H PHE A 101 -1.351 6.350 6.477 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.170 4.712 4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.161 4.173 7.215 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.488 2.930 6.179 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.288 6.120 7.902 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.866 2.713 5.888 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.550 6.736 8.637 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.129 3.327 6.620 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.476 5.340 7.994 1.00 0.00 H new ATOM 1519 N SER A 102 -2.076 3.336 3.573 1.00 0.00 N ATOM 1520 CA SER A 102 -3.222 2.678 2.955 1.00 0.00 C ATOM 1521 C SER A 102 -4.100 2.013 4.009 1.00 0.00 C ATOM 1522 O SER A 102 -3.773 2.014 5.196 1.00 0.00 O ATOM 1523 CB SER A 102 -2.751 1.638 1.936 1.00 0.00 C ATOM 1524 OG SER A 102 -2.137 0.535 2.580 1.00 0.00 O ATOM 0 H SER A 102 -1.180 3.122 3.136 1.00 0.00 H new ATOM 0 HA SER A 102 -3.813 3.437 2.442 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.600 1.292 1.346 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.046 2.097 1.243 1.00 0.00 H new ATOM 0 HG SER A 102 -2.527 -0.299 2.244 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.218 1.444 3.567 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.144 0.775 4.473 1.00 0.00 C ATOM 1532 C GLU A 103 -5.556 -0.539 4.979 1.00 0.00 C ATOM 1533 O GLU A 103 -5.226 -1.426 4.193 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.478 0.513 3.771 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.118 1.764 3.193 1.00 0.00 C ATOM 1536 CD GLU A 103 -9.532 1.523 2.702 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -10.461 1.533 3.536 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -9.709 1.325 1.482 1.00 0.00 O ATOM 0 H GLU A 103 -5.504 1.433 2.588 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.314 1.430 5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.321 -0.208 2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.168 0.056 4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.130 2.546 3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.508 2.131 2.367 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.430 -0.655 6.297 1.00 0.00 N ATOM 1546 CA GLU A 104 -4.881 -1.860 6.908 1.00 0.00 C ATOM 1547 C GLU A 104 -5.399 -3.111 6.205 1.00 0.00 C ATOM 1548 O GLU A 104 -6.608 -3.329 6.113 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.237 -1.912 8.395 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.710 -0.729 9.190 1.00 0.00 C ATOM 1551 CD GLU A 104 -5.363 -0.604 10.553 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -5.893 -1.620 11.051 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -5.344 0.507 11.121 1.00 0.00 O ATOM 0 H GLU A 104 -5.700 0.070 6.962 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.797 -1.828 6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.321 -1.954 8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.840 -2.832 8.823 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.632 -0.832 9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.879 0.188 8.625 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.477 -3.930 5.711 1.00 0.00 N ATOM 1561 CA VAL A 105 -4.839 -5.160 5.016 1.00 0.00 C ATOM 1562 C VAL A 105 -4.454 -6.387 5.834 1.00 0.00 C ATOM 1563 O VAL A 105 -3.449 -6.381 6.547 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.164 -5.244 3.634 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -5.010 -4.542 2.583 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -2.765 -4.651 3.689 1.00 0.00 C ATOM 0 H VAL A 105 -3.473 -3.764 5.779 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.921 -5.141 4.882 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.078 -6.294 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.517 -4.612 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.989 -5.017 2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.131 -3.493 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.302 -4.718 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.825 -3.605 3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.164 -5.204 4.411 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.257 -7.440 5.727 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.000 -8.676 6.456 1.00 0.00 C ATOM 1578 C LEU A 106 -4.778 -9.840 5.495 1.00 0.00 C ATOM 1579 O LEU A 106 -5.353 -9.878 4.407 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.167 -8.991 7.394 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.059 -10.293 8.188 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -4.882 -10.235 9.149 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.352 -10.568 8.941 1.00 0.00 C ATOM 0 H LEU A 106 -6.092 -7.462 5.142 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.094 -8.538 7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.272 -8.167 8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.083 -9.024 6.803 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.890 -11.111 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.820 -11.170 9.706 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.960 -10.086 8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.021 -9.407 9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.256 -11.499 9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.552 -9.749 9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.175 -10.654 8.232 1.00 0.00 H new ATOM 1595 N TYR A 107 -3.942 -10.787 5.904 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.643 -11.952 5.079 1.00 0.00 C ATOM 1597 C TYR A 107 -3.297 -13.159 5.946 1.00 0.00 C ATOM 1598 O TYR A 107 -2.952 -13.017 7.119 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.486 -11.645 4.127 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.876 -10.759 2.966 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.528 -11.282 1.856 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.592 -9.399 2.978 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -3.885 -10.476 0.792 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -2.947 -8.585 1.920 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.593 -9.129 0.829 1.00 0.00 C ATOM 1606 OH TYR A 107 -3.948 -8.322 -0.228 1.00 0.00 O ATOM 0 H TYR A 107 -3.459 -10.771 6.802 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.532 -12.190 4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.684 -11.164 4.687 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -2.087 -12.582 3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.760 -12.336 1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.085 -8.971 3.830 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.390 -10.899 -0.064 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.720 -7.529 1.947 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.497 -7.456 -0.144 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.393 -14.346 5.359 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.092 -15.580 6.076 1.00 0.00 C ATOM 1618 C TYR A 108 -2.269 -16.527 5.209 1.00 0.00 C ATOM 1619 O TYR A 108 -2.737 -17.011 4.178 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.386 -16.267 6.515 1.00 0.00 C ATOM 1621 CG TYR A 108 -4.851 -15.859 7.895 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.637 -14.728 8.077 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.504 -16.603 9.015 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -6.064 -14.350 9.336 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -4.927 -16.234 10.277 1.00 0.00 C ATOM 1626 CZ TYR A 108 -5.707 -15.107 10.433 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.129 -14.735 11.688 1.00 0.00 O ATOM 0 H TYR A 108 -3.677 -14.481 4.389 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.506 -15.324 6.959 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.171 -16.039 5.794 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.239 -17.347 6.495 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.919 -14.134 7.220 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.893 -17.486 8.897 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.674 -13.467 9.460 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.649 -16.825 11.137 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.792 -15.375 12.349 1.00 0.00 H new ATOM 1637 N THR A 109 -1.037 -16.789 5.635 1.00 0.00 N ATOM 1638 CA THR A 109 -0.146 -17.677 4.900 1.00 0.00 C ATOM 1639 C THR A 109 -0.893 -18.903 4.386 1.00 0.00 C ATOM 1640 O THR A 109 -1.935 -19.277 4.924 1.00 0.00 O ATOM 1641 CB THR A 109 1.035 -18.139 5.775 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.550 -18.664 7.016 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.991 -16.987 6.045 1.00 0.00 C ATOM 0 H THR A 109 -0.634 -16.398 6.486 1.00 0.00 H new ATOM 0 HA THR A 109 0.239 -17.108 4.054 1.00 0.00 H new ATOM 0 HB THR A 109 1.574 -18.919 5.237 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.259 -18.617 7.690 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.817 -17.337 6.665 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.381 -16.609 5.100 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.461 -16.188 6.564 1.00 0.00 H new ATOM 1651 N SER A 110 -0.353 -19.524 3.343 1.00 0.00 N ATOM 1652 CA SER A 110 -0.971 -20.707 2.754 1.00 0.00 C ATOM 1653 C SER A 110 -1.642 -21.560 3.826 1.00 0.00 C ATOM 1654 O SER A 110 -2.724 -22.105 3.614 1.00 0.00 O ATOM 1655 CB SER A 110 0.075 -21.536 2.007 1.00 0.00 C ATOM 1656 OG SER A 110 -0.540 -22.521 1.195 1.00 0.00 O ATOM 0 H SER A 110 0.511 -19.228 2.888 1.00 0.00 H new ATOM 0 HA SER A 110 -1.733 -20.376 2.049 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.688 -20.881 1.388 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.743 -22.015 2.723 1.00 0.00 H new ATOM 0 HG SER A 110 0.150 -23.036 0.727 1.00 0.00 H new