USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 804 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 89 SER OG : rot -132:sc= 0.703 USER MOD Set 1.2: A 109 TYR OH : rot 165:sc= 0.515 USER MOD Set 2.1: A 49 THR OG1 : rot 121:sc= 1.21 USER MOD Set 2.2: A 51 ASN : amide:sc= -1.52! C(o=-0.31!,f=-3.6!) USER MOD Set 2.3: A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 22 TYR OH : rot 126:sc= -0.106 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -141:sc= -3.12! (180deg=-6.9!) USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.308) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= -0.0462 (180deg=-0.303) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.21!) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0358) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.839 X(o=-0.84,f=-0.72) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 CYS SG : rot 150:sc= -2.13 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.0275 X(o=0.027,f=-0.45) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.45! K(o=-2.5!,f=-1) USER MOD Single : A 67 GLN : amide:sc= -0.166 K(o=-0.17,f=-2.1!) USER MOD Single : A 71 MET CE :methyl -178:sc= 0 (180deg=-0.00739) USER MOD Single : A 74 SER OG : rot 72:sc= -0.274 USER MOD Single : A 75 SER OG : rot -3:sc= -0.136 USER MOD Single : A 78 ASN : amide:sc= -0.25 K(o=-0.25,f=-2.6!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.978 USER MOD Single : A 83 GLN : amide:sc= -0.021 K(o=-0.021,f=-2.7!) USER MOD Single : A 88 MET CE :methyl 163:sc= -0.117 (180deg=-0.482) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.0795 K(o=-0.079,f=-1.1) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -172:sc= 0.373 USER MOD Single : A 118 CYS SG : rot 20:sc= 0.384 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 11 9.854 19.090 3.023 1.00 0.00 N ATOM 121 CA ARG A 11 10.592 18.329 2.023 1.00 0.00 C ATOM 122 C ARG A 11 9.660 17.830 0.922 1.00 0.00 C ATOM 123 O ARG A 11 9.949 17.980 -0.266 1.00 0.00 O ATOM 124 CB ARG A 11 11.306 17.144 2.676 1.00 0.00 C ATOM 125 CG ARG A 11 12.439 17.552 3.604 1.00 0.00 C ATOM 126 CD ARG A 11 13.686 17.936 2.823 1.00 0.00 C ATOM 127 NE ARG A 11 14.648 18.660 3.651 1.00 0.00 N ATOM 128 CZ ARG A 11 15.415 18.077 4.566 1.00 0.00 C ATOM 129 NH1 ARG A 11 15.333 16.770 4.769 1.00 0.00 N ATOM 130 NH2 ARG A 11 16.267 18.803 5.279 1.00 0.00 N ATOM 0 HA ARG A 11 11.334 18.990 1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.579 16.558 3.239 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.703 16.495 1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.121 18.393 4.221 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.671 16.730 4.281 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.155 17.037 2.424 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.404 18.554 1.970 1.00 0.00 H new ATOM 0 HE ARG A 11 14.735 19.668 3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.680 16.209 4.222 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.923 16.325 5.472 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.333 19.809 5.125 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.856 18.355 5.981 1.00 0.00 H new ATOM 144 N LEU A 12 8.542 17.237 1.325 1.00 0.00 N ATOM 145 CA LEU A 12 7.567 16.716 0.373 1.00 0.00 C ATOM 146 C LEU A 12 6.945 17.845 -0.443 1.00 0.00 C ATOM 147 O LEU A 12 6.948 19.009 -0.041 1.00 0.00 O ATOM 148 CB LEU A 12 6.472 15.940 1.108 1.00 0.00 C ATOM 149 CG LEU A 12 6.809 14.496 1.482 1.00 0.00 C ATOM 150 CD1 LEU A 12 6.729 13.595 0.259 1.00 0.00 C ATOM 151 CD2 LEU A 12 8.191 14.417 2.114 1.00 0.00 C ATOM 0 H LEU A 12 8.288 17.105 2.304 1.00 0.00 H new ATOM 0 HA LEU A 12 8.086 16.043 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.221 16.481 2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.578 15.934 0.484 1.00 0.00 H new ATOM 0 HG LEU A 12 6.077 14.150 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.972 12.572 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.720 13.627 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.438 13.940 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.414 13.382 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.936 14.782 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.215 15.030 3.015 1.00 0.00 H new ATOM 163 N PRO A 13 6.395 17.495 -1.615 1.00 0.00 N ATOM 164 CA PRO A 13 5.757 18.463 -2.511 1.00 0.00 C ATOM 165 C PRO A 13 4.446 19.000 -1.945 1.00 0.00 C ATOM 166 O PRO A 13 3.428 18.308 -1.951 1.00 0.00 O ATOM 167 CB PRO A 13 5.498 17.653 -3.783 1.00 0.00 C ATOM 168 CG PRO A 13 5.411 16.240 -3.321 1.00 0.00 C ATOM 169 CD PRO A 13 6.355 16.126 -2.156 1.00 0.00 C ATOM 0 HA PRO A 13 6.380 19.343 -2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.576 17.967 -4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.303 17.784 -4.507 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.393 15.989 -3.024 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.690 15.551 -4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.995 15.412 -1.416 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.343 15.789 -2.470 1.00 0.00 H new ATOM 177 N GLU A 14 4.479 20.236 -1.457 1.00 0.00 N ATOM 178 CA GLU A 14 3.292 20.863 -0.887 1.00 0.00 C ATOM 179 C GLU A 14 2.158 20.908 -1.907 1.00 0.00 C ATOM 180 O GLU A 14 0.982 20.950 -1.544 1.00 0.00 O ATOM 181 CB GLU A 14 3.618 22.279 -0.407 1.00 0.00 C ATOM 182 CG GLU A 14 4.135 23.191 -1.506 1.00 0.00 C ATOM 183 CD GLU A 14 5.620 23.017 -1.758 1.00 0.00 C ATOM 184 OE1 GLU A 14 6.393 23.029 -0.777 1.00 0.00 O ATOM 185 OE2 GLU A 14 6.010 22.870 -2.936 1.00 0.00 O ATOM 0 H GLU A 14 5.314 20.822 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 14 2.968 20.264 -0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.722 22.721 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.363 22.222 0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.588 22.990 -2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.935 24.228 -1.236 1.00 0.00 H new ATOM 192 N THR A 15 2.519 20.901 -3.186 1.00 0.00 N ATOM 193 CA THR A 15 1.534 20.942 -4.259 1.00 0.00 C ATOM 194 C THR A 15 0.895 19.575 -4.472 1.00 0.00 C ATOM 195 O THR A 15 0.138 19.375 -5.423 1.00 0.00 O ATOM 196 CB THR A 15 2.164 21.414 -5.583 1.00 0.00 C ATOM 197 OG1 THR A 15 3.388 20.709 -5.822 1.00 0.00 O ATOM 198 CG2 THR A 15 2.434 22.911 -5.550 1.00 0.00 C ATOM 0 H THR A 15 3.488 20.867 -3.504 1.00 0.00 H new ATOM 0 HA THR A 15 0.767 21.655 -3.956 1.00 0.00 H new ATOM 0 HB THR A 15 1.461 21.205 -6.389 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.781 21.013 -6.666 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.879 23.221 -6.495 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.497 23.446 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.120 23.139 -4.734 1.00 0.00 H new ATOM 206 N ILE A 16 1.205 18.637 -3.583 1.00 0.00 N ATOM 207 CA ILE A 16 0.659 17.289 -3.674 1.00 0.00 C ATOM 208 C ILE A 16 0.259 16.764 -2.300 1.00 0.00 C ATOM 209 O ILE A 16 0.790 17.201 -1.278 1.00 0.00 O ATOM 210 CB ILE A 16 1.668 16.315 -4.310 1.00 0.00 C ATOM 211 CG1 ILE A 16 2.261 16.920 -5.584 1.00 0.00 C ATOM 212 CG2 ILE A 16 0.999 14.982 -4.613 1.00 0.00 C ATOM 213 CD1 ILE A 16 3.419 16.127 -6.148 1.00 0.00 C ATOM 0 H ILE A 16 1.831 18.786 -2.792 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.225 17.349 -4.309 1.00 0.00 H new ATOM 0 HB ILE A 16 2.478 16.141 -3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.479 16.993 -6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.596 17.936 -5.372 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.725 14.304 -5.062 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.620 14.547 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.172 15.139 -5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.789 16.615 -7.050 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.219 16.076 -5.409 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.085 15.118 -6.392 1.00 0.00 H new ATOM 225 N ASP A 17 -0.678 15.822 -2.282 1.00 0.00 N ATOM 226 CA ASP A 17 -1.147 15.234 -1.033 1.00 0.00 C ATOM 227 C ASP A 17 -1.032 13.713 -1.071 1.00 0.00 C ATOM 228 O ASP A 17 -1.787 13.040 -1.774 1.00 0.00 O ATOM 229 CB ASP A 17 -2.597 15.641 -0.765 1.00 0.00 C ATOM 230 CG ASP A 17 -3.037 15.321 0.650 1.00 0.00 C ATOM 231 OD1 ASP A 17 -2.843 14.167 1.085 1.00 0.00 O ATOM 232 OD2 ASP A 17 -3.575 16.225 1.322 1.00 0.00 O ATOM 0 H ASP A 17 -1.128 15.449 -3.118 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.517 15.608 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.710 16.710 -0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.251 15.129 -1.470 1.00 0.00 H new ATOM 237 N LEU A 18 -0.082 13.178 -0.312 1.00 0.00 N ATOM 238 CA LEU A 18 0.134 11.736 -0.259 1.00 0.00 C ATOM 239 C LEU A 18 -1.195 10.988 -0.210 1.00 0.00 C ATOM 240 O LEU A 18 -1.415 10.044 -0.967 1.00 0.00 O ATOM 241 CB LEU A 18 0.982 11.372 0.961 1.00 0.00 C ATOM 242 CG LEU A 18 2.493 11.316 0.734 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.237 11.556 2.039 1.00 0.00 C ATOM 244 CD2 LEU A 18 2.893 9.978 0.129 1.00 0.00 C ATOM 0 H LEU A 18 0.551 13.721 0.275 1.00 0.00 H new ATOM 0 HA LEU A 18 0.664 11.439 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.780 12.097 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.654 10.400 1.330 1.00 0.00 H new ATOM 0 HG LEU A 18 2.765 12.105 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.311 11.513 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.974 12.538 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.959 10.789 2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.972 9.956 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.607 9.173 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.387 9.845 -0.827 1.00 0.00 H new ATOM 256 N GLY A 19 -2.079 11.420 0.684 1.00 0.00 N ATOM 257 CA GLY A 19 -3.376 10.782 0.813 1.00 0.00 C ATOM 258 C GLY A 19 -4.054 10.570 -0.526 1.00 0.00 C ATOM 259 O GLY A 19 -4.500 9.466 -0.836 1.00 0.00 O ATOM 0 H GLY A 19 -1.920 12.200 1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.256 9.821 1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.017 11.394 1.448 1.00 0.00 H new ATOM 263 N ALA A 20 -4.132 11.632 -1.322 1.00 0.00 N ATOM 264 CA ALA A 20 -4.760 11.557 -2.635 1.00 0.00 C ATOM 265 C ALA A 20 -3.998 10.610 -3.555 1.00 0.00 C ATOM 266 O ALA A 20 -4.595 9.895 -4.361 1.00 0.00 O ATOM 267 CB ALA A 20 -4.850 12.943 -3.257 1.00 0.00 C ATOM 0 H ALA A 20 -3.768 12.554 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.768 11.163 -2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.321 12.872 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.445 13.592 -2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.848 13.359 -3.365 1.00 0.00 H new ATOM 273 N LEU A 21 -2.675 10.611 -3.433 1.00 0.00 N ATOM 274 CA LEU A 21 -1.830 9.752 -4.255 1.00 0.00 C ATOM 275 C LEU A 21 -2.095 8.280 -3.956 1.00 0.00 C ATOM 276 O LEU A 21 -2.348 7.488 -4.864 1.00 0.00 O ATOM 277 CB LEU A 21 -0.354 10.075 -4.014 1.00 0.00 C ATOM 278 CG LEU A 21 0.642 9.418 -4.971 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.027 8.188 -5.619 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.096 10.411 -6.031 1.00 0.00 C ATOM 0 H LEU A 21 -2.164 11.197 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.071 9.940 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.225 11.156 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.099 9.778 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 21 1.514 9.104 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.750 7.734 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.248 7.469 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.862 8.478 -6.179 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.804 9.927 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.233 10.756 -6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.577 11.263 -5.550 1.00 0.00 H new ATOM 292 N TYR A 22 -2.039 7.921 -2.679 1.00 0.00 N ATOM 293 CA TYR A 22 -2.274 6.544 -2.260 1.00 0.00 C ATOM 294 C TYR A 22 -3.580 6.013 -2.843 1.00 0.00 C ATOM 295 O TYR A 22 -3.702 4.824 -3.142 1.00 0.00 O ATOM 296 CB TYR A 22 -2.308 6.452 -0.734 1.00 0.00 C ATOM 297 CG TYR A 22 -2.947 5.182 -0.218 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.225 3.996 -0.152 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.271 5.167 0.201 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.804 2.833 0.317 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.858 4.009 0.673 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.121 2.845 0.729 1.00 0.00 C ATOM 303 OH TYR A 22 -4.702 1.689 1.198 1.00 0.00 O ATOM 0 H TYR A 22 -1.833 8.565 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.454 5.931 -2.635 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.289 6.518 -0.352 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.853 7.309 -0.339 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.194 3.984 -0.473 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.852 6.076 0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.229 1.920 0.361 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.888 4.015 0.996 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.085 1.852 2.085 1.00 0.00 H new ATOM 313 N LEU A 23 -4.554 6.902 -3.002 1.00 0.00 N ATOM 314 CA LEU A 23 -5.852 6.525 -3.550 1.00 0.00 C ATOM 315 C LEU A 23 -5.724 6.096 -5.008 1.00 0.00 C ATOM 316 O LEU A 23 -6.335 5.116 -5.433 1.00 0.00 O ATOM 317 CB LEU A 23 -6.835 7.691 -3.433 1.00 0.00 C ATOM 318 CG LEU A 23 -7.219 8.106 -2.013 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.661 9.561 -1.982 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.318 7.202 -1.472 1.00 0.00 C ATOM 0 H LEU A 23 -4.470 7.889 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.230 5.680 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.404 8.555 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.745 7.428 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.341 8.001 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.930 9.838 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.845 10.196 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.525 9.693 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.579 7.512 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.197 7.275 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.966 6.171 -1.456 1.00 0.00 H new ATOM 332 N SER A 24 -4.924 6.836 -5.769 1.00 0.00 N ATOM 333 CA SER A 24 -4.717 6.534 -7.180 1.00 0.00 C ATOM 334 C SER A 24 -4.073 5.162 -7.353 1.00 0.00 C ATOM 335 O SER A 24 -4.283 4.488 -8.361 1.00 0.00 O ATOM 336 CB SER A 24 -3.841 7.607 -7.830 1.00 0.00 C ATOM 337 OG SER A 24 -4.555 8.819 -7.993 1.00 0.00 O ATOM 0 H SER A 24 -4.409 7.649 -5.432 1.00 0.00 H new ATOM 0 HA SER A 24 -5.690 6.524 -7.671 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.958 7.781 -7.215 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.489 7.255 -8.800 1.00 0.00 H new ATOM 0 HG SER A 24 -3.972 9.488 -8.409 1.00 0.00 H new ATOM 343 N MET A 25 -3.287 4.755 -6.362 1.00 0.00 N ATOM 344 CA MET A 25 -2.613 3.463 -6.403 1.00 0.00 C ATOM 345 C MET A 25 -3.573 2.336 -6.033 1.00 0.00 C ATOM 346 O MET A 25 -3.312 1.167 -6.315 1.00 0.00 O ATOM 347 CB MET A 25 -1.414 3.459 -5.453 1.00 0.00 C ATOM 348 CG MET A 25 -0.610 4.749 -5.483 1.00 0.00 C ATOM 349 SD MET A 25 0.815 4.706 -4.378 1.00 0.00 S ATOM 350 CE MET A 25 2.151 4.983 -5.538 1.00 0.00 C ATOM 0 H MET A 25 -3.101 5.301 -5.521 1.00 0.00 H new ATOM 0 HA MET A 25 -2.262 3.297 -7.421 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.767 3.284 -4.437 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.759 2.626 -5.711 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.270 4.937 -6.501 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.256 5.582 -5.204 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.002 4.358 -5.268 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.818 4.728 -6.544 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.447 6.032 -5.509 1.00 0.00 H new ATOM 360 N LYS A 26 -4.684 2.696 -5.400 1.00 0.00 N ATOM 361 CA LYS A 26 -5.684 1.717 -4.992 1.00 0.00 C ATOM 362 C LYS A 26 -6.566 1.316 -6.171 1.00 0.00 C ATOM 363 O LYS A 26 -7.309 0.338 -6.097 1.00 0.00 O ATOM 364 CB LYS A 26 -6.550 2.281 -3.863 1.00 0.00 C ATOM 365 CG LYS A 26 -5.802 2.453 -2.552 1.00 0.00 C ATOM 366 CD LYS A 26 -6.723 2.271 -1.357 1.00 0.00 C ATOM 367 CE LYS A 26 -7.712 3.420 -1.234 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.352 3.460 0.110 1.00 0.00 N ATOM 0 H LYS A 26 -4.915 3.660 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.162 0.830 -4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.952 3.246 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.400 1.618 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.988 1.730 -2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.350 3.444 -2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.266 1.331 -1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.129 2.202 -0.446 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.198 4.363 -1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.481 3.320 -2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.637 4.436 0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.191 2.846 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.676 3.127 0.826 1.00 0.00 H new ATOM 382 N ASP A 27 -6.476 2.077 -7.256 1.00 0.00 N ATOM 383 CA ASP A 27 -7.264 1.800 -8.451 1.00 0.00 C ATOM 384 C ASP A 27 -6.801 0.508 -9.119 1.00 0.00 C ATOM 385 O ASP A 27 -5.646 0.104 -8.982 1.00 0.00 O ATOM 386 CB ASP A 27 -7.161 2.964 -9.438 1.00 0.00 C ATOM 387 CG ASP A 27 -8.354 3.041 -10.369 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.478 2.164 -11.250 1.00 0.00 O ATOM 389 OD2 ASP A 27 -9.165 3.978 -10.218 1.00 0.00 O ATOM 0 H ASP A 27 -5.865 2.890 -7.333 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.305 1.681 -8.150 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.075 3.899 -8.885 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.250 2.857 -10.027 1.00 0.00 H new ATOM 394 N THR A 28 -7.711 -0.137 -9.843 1.00 0.00 N ATOM 395 CA THR A 28 -7.398 -1.383 -10.530 1.00 0.00 C ATOM 396 C THR A 28 -6.772 -1.117 -11.894 1.00 0.00 C ATOM 397 O THR A 28 -5.923 -1.878 -12.357 1.00 0.00 O ATOM 398 CB THR A 28 -8.655 -2.254 -10.716 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.281 -3.627 -10.874 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.454 -1.798 -11.927 1.00 0.00 C ATOM 0 H THR A 28 -8.671 0.184 -9.968 1.00 0.00 H new ATOM 0 HA THR A 28 -6.684 -1.918 -9.904 1.00 0.00 H new ATOM 0 HB THR A 28 -9.278 -2.148 -9.828 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.086 -4.174 -10.990 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.337 -2.427 -12.038 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.762 -0.761 -11.790 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.836 -1.878 -12.822 1.00 0.00 H new ATOM 408 N GLU A 29 -7.196 -0.030 -12.533 1.00 0.00 N ATOM 409 CA GLU A 29 -6.676 0.336 -13.845 1.00 0.00 C ATOM 410 C GLU A 29 -5.790 1.575 -13.753 1.00 0.00 C ATOM 411 O GLU A 29 -4.936 1.807 -14.609 1.00 0.00 O ATOM 412 CB GLU A 29 -7.826 0.589 -14.822 1.00 0.00 C ATOM 413 CG GLU A 29 -9.018 1.287 -14.190 1.00 0.00 C ATOM 414 CD GLU A 29 -9.833 2.075 -15.197 1.00 0.00 C ATOM 415 OE1 GLU A 29 -10.298 1.471 -16.186 1.00 0.00 O ATOM 416 OE2 GLU A 29 -10.006 3.296 -14.996 1.00 0.00 O ATOM 0 H GLU A 29 -7.898 0.611 -12.163 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.073 -0.494 -14.213 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.460 1.193 -15.652 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.153 -0.363 -15.240 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.657 0.545 -13.712 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.668 1.959 -13.406 1.00 0.00 H new ATOM 423 N LYS A 30 -6.000 2.368 -12.708 1.00 0.00 N ATOM 424 CA LYS A 30 -5.222 3.584 -12.501 1.00 0.00 C ATOM 425 C LYS A 30 -4.368 3.476 -11.241 1.00 0.00 C ATOM 426 O LYS A 30 -3.878 4.479 -10.724 1.00 0.00 O ATOM 427 CB LYS A 30 -6.149 4.797 -12.399 1.00 0.00 C ATOM 428 CG LYS A 30 -7.235 4.824 -13.461 1.00 0.00 C ATOM 429 CD LYS A 30 -6.773 5.553 -14.712 1.00 0.00 C ATOM 430 CE LYS A 30 -7.943 6.175 -15.458 1.00 0.00 C ATOM 431 NZ LYS A 30 -8.540 7.313 -14.706 1.00 0.00 N ATOM 0 H LYS A 30 -6.703 2.190 -11.991 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.560 3.712 -13.358 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.616 4.805 -11.414 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.553 5.707 -12.477 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.520 3.804 -13.718 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.124 5.312 -13.062 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.059 6.330 -14.439 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.250 4.857 -15.368 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.607 6.522 -16.435 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.706 5.416 -15.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.056 7.931 -15.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.197 6.948 -13.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.785 7.856 -14.241 1.00 0.00 H new ATOM 445 N GLY A 31 -4.194 2.252 -10.753 1.00 0.00 N ATOM 446 CA GLY A 31 -3.398 2.036 -9.559 1.00 0.00 C ATOM 447 C GLY A 31 -2.283 1.033 -9.778 1.00 0.00 C ATOM 448 O GLY A 31 -2.157 0.464 -10.863 1.00 0.00 O ATOM 0 H GLY A 31 -4.590 1.406 -11.163 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.970 2.985 -9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.044 1.686 -8.754 1.00 0.00 H new ATOM 452 N ILE A 32 -1.471 0.818 -8.749 1.00 0.00 N ATOM 453 CA ILE A 32 -0.361 -0.122 -8.835 1.00 0.00 C ATOM 454 C ILE A 32 -0.858 -1.564 -8.807 1.00 0.00 C ATOM 455 O ILE A 32 -1.646 -1.944 -7.942 1.00 0.00 O ATOM 456 CB ILE A 32 0.643 0.085 -7.686 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.253 1.487 -7.759 1.00 0.00 C ATOM 458 CG2 ILE A 32 1.732 -0.976 -7.736 1.00 0.00 C ATOM 459 CD1 ILE A 32 1.944 1.912 -6.483 1.00 0.00 C ATOM 0 H ILE A 32 -1.561 1.282 -7.845 1.00 0.00 H new ATOM 0 HA ILE A 32 0.141 0.069 -9.784 1.00 0.00 H new ATOM 0 HB ILE A 32 0.113 -0.011 -6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.970 1.520 -8.579 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.467 2.205 -7.993 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.434 -0.816 -6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.282 -1.964 -7.640 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.262 -0.909 -8.686 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.352 2.915 -6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.226 1.911 -5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.752 1.216 -6.258 1.00 0.00 H new ATOM 471 N LYS A 33 -0.389 -2.363 -9.759 1.00 0.00 N ATOM 472 CA LYS A 33 -0.782 -3.765 -9.844 1.00 0.00 C ATOM 473 C LYS A 33 0.122 -4.637 -8.978 1.00 0.00 C ATOM 474 O LYS A 33 1.260 -4.270 -8.689 1.00 0.00 O ATOM 475 CB LYS A 33 -0.731 -4.244 -11.296 1.00 0.00 C ATOM 476 CG LYS A 33 0.664 -4.217 -11.897 1.00 0.00 C ATOM 477 CD LYS A 33 0.837 -5.295 -12.954 1.00 0.00 C ATOM 478 CE LYS A 33 2.301 -5.489 -13.318 1.00 0.00 C ATOM 479 NZ LYS A 33 2.818 -4.370 -14.153 1.00 0.00 N ATOM 0 H LYS A 33 0.264 -2.064 -10.483 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.804 -3.852 -9.475 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.120 -5.261 -11.348 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.390 -3.619 -11.899 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.852 -3.239 -12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.404 -4.357 -11.109 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.425 -6.235 -12.587 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.272 -5.025 -13.846 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.894 -5.567 -12.407 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.420 -6.429 -13.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.819 -4.540 -14.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.268 -4.312 -15.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.729 -3.476 -13.629 1.00 0.00 H new ATOM 493 N GLU A 34 -0.393 -5.792 -8.569 1.00 0.00 N ATOM 494 CA GLU A 34 0.370 -6.715 -7.737 1.00 0.00 C ATOM 495 C GLU A 34 0.817 -7.932 -8.543 1.00 0.00 C ATOM 496 O GLU A 34 0.309 -8.188 -9.636 1.00 0.00 O ATOM 497 CB GLU A 34 -0.466 -7.164 -6.537 1.00 0.00 C ATOM 498 CG GLU A 34 -1.036 -6.012 -5.727 1.00 0.00 C ATOM 499 CD GLU A 34 -2.279 -6.402 -4.951 1.00 0.00 C ATOM 500 OE1 GLU A 34 -3.073 -7.213 -5.473 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.459 -5.897 -3.824 1.00 0.00 O ATOM 0 H GLU A 34 -1.334 -6.111 -8.800 1.00 0.00 H new ATOM 0 HA GLU A 34 1.257 -6.193 -7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.286 -7.790 -6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.151 -7.784 -5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.277 -5.651 -5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.275 -5.185 -6.396 1.00 0.00 H new ATOM 508 N LEU A 35 1.770 -8.678 -7.997 1.00 0.00 N ATOM 509 CA LEU A 35 2.287 -9.868 -8.664 1.00 0.00 C ATOM 510 C LEU A 35 2.671 -10.938 -7.647 1.00 0.00 C ATOM 511 O LEU A 35 2.606 -10.714 -6.440 1.00 0.00 O ATOM 512 CB LEU A 35 3.499 -9.508 -9.525 1.00 0.00 C ATOM 513 CG LEU A 35 3.495 -8.106 -10.136 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.917 -7.596 -10.309 1.00 0.00 C ATOM 515 CD2 LEU A 35 2.761 -8.107 -11.469 1.00 0.00 C ATOM 0 H LEU A 35 2.201 -8.480 -7.094 1.00 0.00 H new ATOM 0 HA LEU A 35 1.500 -10.267 -9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.397 -9.615 -8.916 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.574 -10.235 -10.334 1.00 0.00 H new ATOM 0 HG LEU A 35 2.970 -7.435 -9.456 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.895 -6.597 -10.745 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.410 -7.557 -9.338 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.467 -8.268 -10.968 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.768 -7.101 -11.889 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.257 -8.791 -12.157 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.731 -8.429 -11.317 1.00 0.00 H new ATOM 527 N ASN A 36 3.075 -12.103 -8.146 1.00 0.00 N ATOM 528 CA ASN A 36 3.472 -13.208 -7.281 1.00 0.00 C ATOM 529 C ASN A 36 4.931 -13.586 -7.516 1.00 0.00 C ATOM 530 O ASN A 36 5.310 -13.989 -8.617 1.00 0.00 O ATOM 531 CB ASN A 36 2.573 -14.422 -7.525 1.00 0.00 C ATOM 532 CG ASN A 36 2.446 -14.760 -8.998 1.00 0.00 C ATOM 533 OD1 ASN A 36 3.401 -15.215 -9.627 1.00 0.00 O ATOM 534 ND2 ASN A 36 1.261 -14.538 -9.555 1.00 0.00 N ATOM 0 H ASN A 36 3.136 -12.305 -9.144 1.00 0.00 H new ATOM 0 HA ASN A 36 3.362 -12.884 -6.246 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.976 -15.282 -6.991 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.583 -14.226 -7.113 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.115 -14.746 -10.543 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.497 -14.160 -8.995 1.00 0.00 H new ATOM 541 N LEU A 37 5.746 -13.452 -6.475 1.00 0.00 N ATOM 542 CA LEU A 37 7.165 -13.780 -6.568 1.00 0.00 C ATOM 543 C LEU A 37 7.663 -14.412 -5.272 1.00 0.00 C ATOM 544 O LEU A 37 7.200 -14.067 -4.185 1.00 0.00 O ATOM 545 CB LEU A 37 7.979 -12.525 -6.883 1.00 0.00 C ATOM 546 CG LEU A 37 7.447 -11.646 -8.015 1.00 0.00 C ATOM 547 CD1 LEU A 37 7.812 -10.189 -7.778 1.00 0.00 C ATOM 548 CD2 LEU A 37 7.985 -12.121 -9.357 1.00 0.00 C ATOM 0 H LEU A 37 5.449 -13.119 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 37 7.294 -14.501 -7.375 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.041 -11.920 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.995 -12.829 -7.133 1.00 0.00 H new ATOM 0 HG LEU A 37 6.360 -11.728 -8.032 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.425 -9.579 -8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.377 -9.853 -6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.896 -10.088 -7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.596 -11.484 -10.151 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.074 -12.070 -9.351 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.671 -13.150 -9.531 1.00 0.00 H new ATOM 560 N GLU A 38 8.610 -15.336 -5.395 1.00 0.00 N ATOM 561 CA GLU A 38 9.172 -16.013 -4.233 1.00 0.00 C ATOM 562 C GLU A 38 10.615 -15.579 -3.995 1.00 0.00 C ATOM 563 O GLU A 38 11.369 -15.344 -4.939 1.00 0.00 O ATOM 564 CB GLU A 38 9.109 -17.531 -4.419 1.00 0.00 C ATOM 565 CG GLU A 38 9.344 -18.312 -3.137 1.00 0.00 C ATOM 566 CD GLU A 38 10.807 -18.640 -2.914 1.00 0.00 C ATOM 567 OE1 GLU A 38 11.662 -18.037 -3.596 1.00 0.00 O ATOM 568 OE2 GLU A 38 11.098 -19.499 -2.055 1.00 0.00 O ATOM 0 H GLU A 38 9.004 -15.633 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 38 8.579 -15.736 -3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.133 -17.799 -4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.853 -17.829 -5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.972 -17.734 -2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.769 -19.237 -3.169 1.00 0.00 H new ATOM 575 N LYS A 39 10.993 -15.474 -2.725 1.00 0.00 N ATOM 576 CA LYS A 39 12.346 -15.069 -2.360 1.00 0.00 C ATOM 577 C LYS A 39 12.960 -16.052 -1.369 1.00 0.00 C ATOM 578 O LYS A 39 13.817 -16.859 -1.730 1.00 0.00 O ATOM 579 CB LYS A 39 12.334 -13.662 -1.757 1.00 0.00 C ATOM 580 CG LYS A 39 13.714 -13.143 -1.396 1.00 0.00 C ATOM 581 CD LYS A 39 14.369 -12.435 -2.570 1.00 0.00 C ATOM 582 CE LYS A 39 13.871 -11.004 -2.707 1.00 0.00 C ATOM 583 NZ LYS A 39 14.478 -10.105 -1.687 1.00 0.00 N ATOM 0 H LYS A 39 10.381 -15.664 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 39 12.954 -15.065 -3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.871 -12.976 -2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.711 -13.664 -0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.636 -12.456 -0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.343 -13.973 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.451 -12.434 -2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.161 -12.983 -3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.105 -10.632 -3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.786 -10.986 -2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.221 -9.119 -1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.125 -10.362 -0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.513 -10.205 -1.708 1.00 0.00 H new ATOM 597 N ASP A 40 12.515 -15.981 -0.119 1.00 0.00 N ATOM 598 CA ASP A 40 13.019 -16.867 0.923 1.00 0.00 C ATOM 599 C ASP A 40 11.908 -17.767 1.455 1.00 0.00 C ATOM 600 O ASP A 40 11.225 -17.425 2.421 1.00 0.00 O ATOM 601 CB ASP A 40 13.623 -16.051 2.068 1.00 0.00 C ATOM 602 CG ASP A 40 14.710 -16.807 2.806 1.00 0.00 C ATOM 603 OD1 ASP A 40 15.798 -17.001 2.224 1.00 0.00 O ATOM 604 OD2 ASP A 40 14.473 -17.206 3.966 1.00 0.00 O ATOM 0 H ASP A 40 11.806 -15.319 0.197 1.00 0.00 H new ATOM 0 HA ASP A 40 13.795 -17.496 0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.035 -15.123 1.671 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.835 -15.776 2.769 1.00 0.00 H new ATOM 609 N LYS A 41 11.732 -18.920 0.818 1.00 0.00 N ATOM 610 CA LYS A 41 10.704 -19.870 1.226 1.00 0.00 C ATOM 611 C LYS A 41 9.427 -19.147 1.641 1.00 0.00 C ATOM 612 O LYS A 41 8.645 -19.657 2.443 1.00 0.00 O ATOM 613 CB LYS A 41 11.211 -20.736 2.381 1.00 0.00 C ATOM 614 CG LYS A 41 12.434 -21.565 2.029 1.00 0.00 C ATOM 615 CD LYS A 41 13.708 -20.741 2.108 1.00 0.00 C ATOM 616 CE LYS A 41 14.917 -21.611 2.417 1.00 0.00 C ATOM 617 NZ LYS A 41 15.382 -22.360 1.217 1.00 0.00 N ATOM 0 H LYS A 41 12.288 -19.219 0.017 1.00 0.00 H new ATOM 0 HA LYS A 41 10.477 -20.509 0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.450 -20.093 3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.411 -21.403 2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.506 -22.415 2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.323 -21.970 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.865 -20.221 1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.601 -19.978 2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.728 -20.986 2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.665 -22.315 3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.207 -22.941 1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.617 -22.975 0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.647 -21.688 0.469 1.00 0.00 H new ATOM 631 N LYS A 42 9.221 -17.956 1.089 1.00 0.00 N ATOM 632 CA LYS A 42 8.038 -17.163 1.399 1.00 0.00 C ATOM 633 C LYS A 42 7.428 -16.576 0.130 1.00 0.00 C ATOM 634 O LYS A 42 8.135 -16.010 -0.705 1.00 0.00 O ATOM 635 CB LYS A 42 8.394 -16.038 2.374 1.00 0.00 C ATOM 636 CG LYS A 42 8.658 -16.521 3.790 1.00 0.00 C ATOM 637 CD LYS A 42 8.938 -15.362 4.731 1.00 0.00 C ATOM 638 CE LYS A 42 7.650 -14.747 5.257 1.00 0.00 C ATOM 639 NZ LYS A 42 7.845 -13.336 5.692 1.00 0.00 N ATOM 0 H LYS A 42 9.859 -17.519 0.424 1.00 0.00 H new ATOM 0 HA LYS A 42 7.303 -17.820 1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.278 -15.516 2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.580 -15.313 2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.797 -17.083 4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.507 -17.204 3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.545 -15.709 5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.519 -14.601 4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.886 -14.785 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.282 -15.338 6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.944 -12.953 6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.555 -13.302 6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.172 -12.766 4.886 1.00 0.00 H new ATOM 653 N ILE A 43 6.114 -16.712 -0.007 1.00 0.00 N ATOM 654 CA ILE A 43 5.410 -16.193 -1.173 1.00 0.00 C ATOM 655 C ILE A 43 4.555 -14.985 -0.806 1.00 0.00 C ATOM 656 O ILE A 43 3.652 -15.080 0.026 1.00 0.00 O ATOM 657 CB ILE A 43 4.512 -17.267 -1.814 1.00 0.00 C ATOM 658 CG1 ILE A 43 5.361 -18.434 -2.324 1.00 0.00 C ATOM 659 CG2 ILE A 43 3.693 -16.667 -2.946 1.00 0.00 C ATOM 660 CD1 ILE A 43 6.070 -18.141 -3.628 1.00 0.00 C ATOM 0 H ILE A 43 5.515 -17.177 0.675 1.00 0.00 H new ATOM 0 HA ILE A 43 6.172 -15.892 -1.892 1.00 0.00 H new ATOM 0 HB ILE A 43 3.825 -17.645 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.102 -18.692 -1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.722 -19.307 -2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.064 -17.439 -3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.065 -15.866 -2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.363 -16.265 -3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.652 -19.012 -3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.334 -17.912 -4.399 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.735 -17.287 -3.497 1.00 0.00 H new ATOM 672 N PHE A 44 4.844 -13.849 -1.433 1.00 0.00 N ATOM 673 CA PHE A 44 4.100 -12.622 -1.173 1.00 0.00 C ATOM 674 C PHE A 44 3.006 -12.418 -2.216 1.00 0.00 C ATOM 675 O PHE A 44 3.269 -11.956 -3.326 1.00 0.00 O ATOM 676 CB PHE A 44 5.046 -11.419 -1.168 1.00 0.00 C ATOM 677 CG PHE A 44 6.230 -11.591 -0.260 1.00 0.00 C ATOM 678 CD1 PHE A 44 7.343 -12.302 -0.678 1.00 0.00 C ATOM 679 CD2 PHE A 44 6.229 -11.042 1.013 1.00 0.00 C ATOM 680 CE1 PHE A 44 8.434 -12.462 0.156 1.00 0.00 C ATOM 681 CE2 PHE A 44 7.317 -11.199 1.851 1.00 0.00 C ATOM 682 CZ PHE A 44 8.421 -11.909 1.422 1.00 0.00 C ATOM 0 H PHE A 44 5.588 -13.753 -2.124 1.00 0.00 H new ATOM 0 HA PHE A 44 3.631 -12.711 -0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.400 -11.241 -2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.491 -10.532 -0.864 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.359 -12.736 -1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.368 -10.485 1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.296 -13.019 -0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.304 -10.767 2.841 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.273 -12.032 2.075 1.00 0.00 H new ATOM 692 N ASN A 45 1.776 -12.767 -1.851 1.00 0.00 N ATOM 693 CA ASN A 45 0.641 -12.623 -2.755 1.00 0.00 C ATOM 694 C ASN A 45 0.036 -11.227 -2.652 1.00 0.00 C ATOM 695 O ASN A 45 -0.050 -10.654 -1.565 1.00 0.00 O ATOM 696 CB ASN A 45 -0.424 -13.677 -2.442 1.00 0.00 C ATOM 697 CG ASN A 45 -0.169 -14.987 -3.161 1.00 0.00 C ATOM 698 OD1 ASN A 45 -0.659 -15.205 -4.270 1.00 0.00 O ATOM 699 ND2 ASN A 45 0.599 -15.868 -2.532 1.00 0.00 N ATOM 0 H ASN A 45 1.540 -13.151 -0.936 1.00 0.00 H new ATOM 0 HA ASN A 45 1.000 -12.769 -3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.450 -13.855 -1.367 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.404 -13.295 -2.726 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.804 -16.768 -2.967 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.984 -15.645 -1.614 1.00 0.00 H new ATOM 706 N HIS A 46 -0.383 -10.683 -3.790 1.00 0.00 N ATOM 707 CA HIS A 46 -0.982 -9.353 -3.828 1.00 0.00 C ATOM 708 C HIS A 46 0.043 -8.286 -3.455 1.00 0.00 C ATOM 709 O HIS A 46 -0.305 -7.248 -2.890 1.00 0.00 O ATOM 710 CB HIS A 46 -2.178 -9.282 -2.878 1.00 0.00 C ATOM 711 CG HIS A 46 -3.202 -10.348 -3.124 1.00 0.00 C ATOM 712 ND1 HIS A 46 -3.789 -10.558 -4.354 1.00 0.00 N ATOM 713 CD2 HIS A 46 -3.741 -11.266 -2.289 1.00 0.00 C ATOM 714 CE1 HIS A 46 -4.646 -11.559 -4.264 1.00 0.00 C ATOM 715 NE2 HIS A 46 -4.636 -12.007 -3.022 1.00 0.00 N ATOM 0 H HIS A 46 -0.319 -11.142 -4.698 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.324 -9.164 -4.845 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.821 -9.362 -1.851 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.652 -8.305 -2.975 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.511 -11.393 -1.241 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.252 -11.946 -5.070 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.201 -12.778 -2.665 1.00 0.00 H new ATOM 724 N CYS A 47 1.305 -8.548 -3.774 1.00 0.00 N ATOM 725 CA CYS A 47 2.381 -7.610 -3.472 1.00 0.00 C ATOM 726 C CYS A 47 3.052 -7.121 -4.751 1.00 0.00 C ATOM 727 O CYS A 47 3.127 -7.848 -5.742 1.00 0.00 O ATOM 728 CB CYS A 47 3.415 -8.266 -2.556 1.00 0.00 C ATOM 729 SG CYS A 47 4.272 -7.110 -1.462 1.00 0.00 S ATOM 0 H CYS A 47 1.609 -9.402 -4.242 1.00 0.00 H new ATOM 0 HA CYS A 47 1.948 -6.750 -2.961 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.918 -9.023 -1.949 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.152 -8.783 -3.170 1.00 0.00 H new ATOM 0 HG CYS A 47 4.605 -7.719 -0.363 1.00 0.00 H new ATOM 735 N PHE A 48 3.538 -5.885 -4.723 1.00 0.00 N ATOM 736 CA PHE A 48 4.202 -5.298 -5.881 1.00 0.00 C ATOM 737 C PHE A 48 5.681 -5.054 -5.595 1.00 0.00 C ATOM 738 O PHE A 48 6.115 -5.078 -4.443 1.00 0.00 O ATOM 739 CB PHE A 48 3.523 -3.984 -6.273 1.00 0.00 C ATOM 740 CG PHE A 48 3.026 -3.192 -5.097 1.00 0.00 C ATOM 741 CD1 PHE A 48 1.761 -3.417 -4.578 1.00 0.00 C ATOM 742 CD2 PHE A 48 3.823 -2.223 -4.510 1.00 0.00 C ATOM 743 CE1 PHE A 48 1.300 -2.691 -3.496 1.00 0.00 C ATOM 744 CE2 PHE A 48 3.368 -1.494 -3.428 1.00 0.00 C ATOM 745 CZ PHE A 48 2.105 -1.727 -2.921 1.00 0.00 C ATOM 0 H PHE A 48 3.485 -5.270 -3.911 1.00 0.00 H new ATOM 0 HA PHE A 48 4.122 -6.002 -6.710 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.228 -3.375 -6.839 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.685 -4.201 -6.935 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.127 -4.169 -5.025 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.811 -2.035 -4.903 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.312 -2.877 -3.101 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.000 -0.742 -2.979 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.747 -1.157 -2.077 1.00 0.00 H new ATOM 755 N THR A 49 6.451 -4.819 -6.653 1.00 0.00 N ATOM 756 CA THR A 49 7.881 -4.572 -6.518 1.00 0.00 C ATOM 757 C THR A 49 8.168 -3.085 -6.337 1.00 0.00 C ATOM 758 O THR A 49 7.296 -2.244 -6.555 1.00 0.00 O ATOM 759 CB THR A 49 8.659 -5.088 -7.743 1.00 0.00 C ATOM 760 OG1 THR A 49 8.199 -4.428 -8.928 1.00 0.00 O ATOM 761 CG2 THR A 49 8.491 -6.592 -7.896 1.00 0.00 C ATOM 0 H THR A 49 6.108 -4.795 -7.613 1.00 0.00 H new ATOM 0 HA THR A 49 8.212 -5.114 -5.632 1.00 0.00 H new ATOM 0 HB THR A 49 9.716 -4.870 -7.593 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.947 -3.958 -9.352 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.049 -6.934 -8.768 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.868 -7.093 -7.004 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.435 -6.829 -8.026 1.00 0.00 H new ATOM 769 N GLY A 50 9.396 -2.768 -5.938 1.00 0.00 N ATOM 770 CA GLY A 50 9.775 -1.382 -5.736 1.00 0.00 C ATOM 771 C GLY A 50 9.735 -0.577 -7.019 1.00 0.00 C ATOM 772 O GLY A 50 9.018 0.418 -7.114 1.00 0.00 O ATOM 0 H GLY A 50 10.135 -3.446 -5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.106 -0.928 -5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.780 -1.341 -5.316 1.00 0.00 H new ATOM 776 N ASN A 51 10.510 -1.007 -8.010 1.00 0.00 N ATOM 777 CA ASN A 51 10.562 -0.317 -9.294 1.00 0.00 C ATOM 778 C ASN A 51 9.162 0.067 -9.762 1.00 0.00 C ATOM 779 O ASN A 51 8.895 1.230 -10.068 1.00 0.00 O ATOM 780 CB ASN A 51 11.239 -1.200 -10.344 1.00 0.00 C ATOM 781 CG ASN A 51 10.256 -2.112 -11.053 1.00 0.00 C ATOM 782 OD1 ASN A 51 9.990 -3.227 -10.603 1.00 0.00 O ATOM 783 ND2 ASN A 51 9.711 -1.640 -12.169 1.00 0.00 N ATOM 0 H ASN A 51 11.110 -1.829 -7.948 1.00 0.00 H new ATOM 0 HA ASN A 51 11.145 0.595 -9.165 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.739 -0.568 -11.078 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.010 -1.804 -9.865 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.043 -2.208 -12.690 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.961 -0.710 -12.505 1.00 0.00 H new ATOM 790 N CYS A 52 8.271 -0.917 -9.816 1.00 0.00 N ATOM 791 CA CYS A 52 6.898 -0.683 -10.247 1.00 0.00 C ATOM 792 C CYS A 52 6.334 0.581 -9.606 1.00 0.00 C ATOM 793 O CYS A 52 5.738 1.419 -10.281 1.00 0.00 O ATOM 794 CB CYS A 52 6.019 -1.884 -9.895 1.00 0.00 C ATOM 795 SG CYS A 52 5.976 -3.167 -11.168 1.00 0.00 S ATOM 0 H CYS A 52 8.475 -1.885 -9.567 1.00 0.00 H new ATOM 0 HA CYS A 52 6.901 -0.549 -11.329 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.378 -2.323 -8.964 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.003 -1.535 -9.712 1.00 0.00 H new ATOM 0 HG CYS A 52 5.209 -4.141 -10.777 1.00 0.00 H new ATOM 801 N VAL A 53 6.527 0.710 -8.296 1.00 0.00 N ATOM 802 CA VAL A 53 6.037 1.871 -7.563 1.00 0.00 C ATOM 803 C VAL A 53 6.598 3.164 -8.143 1.00 0.00 C ATOM 804 O VAL A 53 5.854 4.001 -8.654 1.00 0.00 O ATOM 805 CB VAL A 53 6.407 1.788 -6.070 1.00 0.00 C ATOM 806 CG1 VAL A 53 5.967 3.048 -5.340 1.00 0.00 C ATOM 807 CG2 VAL A 53 5.788 0.551 -5.436 1.00 0.00 C ATOM 0 H VAL A 53 7.019 0.025 -7.722 1.00 0.00 H new ATOM 0 HA VAL A 53 4.951 1.873 -7.662 1.00 0.00 H new ATOM 0 HB VAL A 53 7.491 1.708 -5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.237 2.971 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.462 3.914 -5.779 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.887 3.162 -5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.060 0.508 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.703 0.598 -5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.157 -0.341 -5.942 1.00 0.00 H new ATOM 817 N ILE A 54 7.915 3.320 -8.062 1.00 0.00 N ATOM 818 CA ILE A 54 8.576 4.511 -8.580 1.00 0.00 C ATOM 819 C ILE A 54 8.073 4.855 -9.978 1.00 0.00 C ATOM 820 O ILE A 54 7.567 5.952 -10.214 1.00 0.00 O ATOM 821 CB ILE A 54 10.105 4.331 -8.628 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.633 3.904 -7.257 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.777 5.618 -9.083 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.306 4.884 -6.152 1.00 0.00 C ATOM 0 H ILE A 54 8.545 2.636 -7.643 1.00 0.00 H new ATOM 0 HA ILE A 54 8.335 5.327 -7.898 1.00 0.00 H new ATOM 0 HB ILE A 54 10.341 3.547 -9.348 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.215 2.930 -7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.715 3.782 -7.315 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.857 5.474 -9.112 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.420 5.883 -10.078 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.536 6.420 -8.386 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.711 4.517 -5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.747 5.854 -6.383 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.224 4.988 -6.067 1.00 0.00 H new ATOM 836 N ASP A 55 8.212 3.909 -10.900 1.00 0.00 N ATOM 837 CA ASP A 55 7.769 4.110 -12.275 1.00 0.00 C ATOM 838 C ASP A 55 6.305 4.537 -12.316 1.00 0.00 C ATOM 839 O ASP A 55 5.949 5.506 -12.987 1.00 0.00 O ATOM 840 CB ASP A 55 7.963 2.830 -13.088 1.00 0.00 C ATOM 841 CG ASP A 55 7.527 2.989 -14.532 1.00 0.00 C ATOM 842 OD1 ASP A 55 7.624 4.117 -15.060 1.00 0.00 O ATOM 843 OD2 ASP A 55 7.091 1.986 -15.133 1.00 0.00 O ATOM 0 H ASP A 55 8.628 2.995 -10.720 1.00 0.00 H new ATOM 0 HA ASP A 55 8.373 4.904 -12.714 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.013 2.540 -13.059 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.396 2.021 -12.627 1.00 0.00 H new ATOM 848 N TRP A 56 5.461 3.807 -11.596 1.00 0.00 N ATOM 849 CA TRP A 56 4.035 4.109 -11.552 1.00 0.00 C ATOM 850 C TRP A 56 3.801 5.606 -11.374 1.00 0.00 C ATOM 851 O TRP A 56 2.828 6.158 -11.890 1.00 0.00 O ATOM 852 CB TRP A 56 3.363 3.337 -10.415 1.00 0.00 C ATOM 853 CG TRP A 56 1.887 3.578 -10.324 1.00 0.00 C ATOM 854 CD1 TRP A 56 0.893 2.745 -10.752 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.239 4.729 -9.772 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.334 3.309 -10.499 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.149 4.526 -9.898 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.696 5.911 -9.183 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -1.081 5.462 -9.456 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.770 6.839 -8.745 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.605 6.610 -8.883 1.00 0.00 C ATOM 0 H TRP A 56 5.739 3.002 -11.035 1.00 0.00 H new ATOM 0 HA TRP A 56 3.595 3.801 -12.500 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.542 2.271 -10.554 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.829 3.618 -9.470 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.049 1.784 -11.220 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.236 2.889 -10.722 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.754 6.096 -9.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.142 5.288 -9.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.112 7.756 -8.289 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.303 7.354 -8.530 1.00 0.00 H new ATOM 872 N LEU A 57 4.697 6.257 -10.642 1.00 0.00 N ATOM 873 CA LEU A 57 4.588 7.691 -10.396 1.00 0.00 C ATOM 874 C LEU A 57 4.942 8.486 -11.649 1.00 0.00 C ATOM 875 O LEU A 57 4.199 9.376 -12.063 1.00 0.00 O ATOM 876 CB LEU A 57 5.504 8.102 -9.242 1.00 0.00 C ATOM 877 CG LEU A 57 5.123 7.568 -7.861 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.360 7.401 -6.993 1.00 0.00 C ATOM 879 CD2 LEU A 57 4.120 8.495 -7.189 1.00 0.00 C ATOM 0 H LEU A 57 5.508 5.815 -10.208 1.00 0.00 H new ATOM 0 HA LEU A 57 3.555 7.911 -10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.516 7.769 -9.472 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.529 9.191 -9.194 1.00 0.00 H new ATOM 0 HG LEU A 57 4.658 6.590 -7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.069 7.020 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.045 6.698 -7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.854 8.365 -6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.860 8.099 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.559 9.486 -7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.221 8.564 -7.802 1.00 0.00 H new ATOM 891 N VAL A 58 6.082 8.159 -12.249 1.00 0.00 N ATOM 892 CA VAL A 58 6.534 8.840 -13.457 1.00 0.00 C ATOM 893 C VAL A 58 5.511 8.704 -14.580 1.00 0.00 C ATOM 894 O VAL A 58 5.112 9.693 -15.193 1.00 0.00 O ATOM 895 CB VAL A 58 7.887 8.287 -13.940 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.350 9.023 -15.189 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.929 8.387 -12.836 1.00 0.00 C ATOM 0 H VAL A 58 6.710 7.426 -11.918 1.00 0.00 H new ATOM 0 HA VAL A 58 6.651 9.893 -13.202 1.00 0.00 H new ATOM 0 HB VAL A 58 7.759 7.235 -14.193 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.308 8.618 -15.516 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.613 8.894 -15.981 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.461 10.084 -14.966 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.879 7.991 -13.195 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.056 9.431 -12.549 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.600 7.810 -11.972 1.00 0.00 H new ATOM 907 N SER A 59 5.090 7.471 -14.843 1.00 0.00 N ATOM 908 CA SER A 59 4.116 7.204 -15.894 1.00 0.00 C ATOM 909 C SER A 59 2.832 7.993 -15.659 1.00 0.00 C ATOM 910 O SER A 59 2.134 8.360 -16.603 1.00 0.00 O ATOM 911 CB SER A 59 3.803 5.707 -15.961 1.00 0.00 C ATOM 912 OG SER A 59 3.056 5.394 -17.124 1.00 0.00 O ATOM 0 H SER A 59 5.408 6.641 -14.342 1.00 0.00 H new ATOM 0 HA SER A 59 4.548 7.521 -16.843 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.732 5.137 -15.958 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.243 5.409 -15.074 1.00 0.00 H new ATOM 0 HG SER A 59 2.870 4.432 -17.144 1.00 0.00 H new ATOM 918 N ASN A 60 2.528 8.251 -14.391 1.00 0.00 N ATOM 919 CA ASN A 60 1.328 8.997 -14.029 1.00 0.00 C ATOM 920 C ASN A 60 1.579 10.500 -14.102 1.00 0.00 C ATOM 921 O ASN A 60 0.750 11.299 -13.667 1.00 0.00 O ATOM 922 CB ASN A 60 0.868 8.613 -12.621 1.00 0.00 C ATOM 923 CG ASN A 60 -0.058 7.413 -12.622 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.244 7.529 -12.311 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.480 6.251 -12.973 1.00 0.00 N ATOM 0 H ASN A 60 3.096 7.955 -13.597 1.00 0.00 H new ATOM 0 HA ASN A 60 0.544 8.742 -14.742 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.740 8.395 -12.004 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.358 9.461 -12.164 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.094 5.408 -12.993 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.468 6.201 -13.223 1.00 0.00 H new ATOM 932 N GLN A 61 2.727 10.877 -14.657 1.00 0.00 N ATOM 933 CA GLN A 61 3.086 12.284 -14.787 1.00 0.00 C ATOM 934 C GLN A 61 3.116 12.966 -13.423 1.00 0.00 C ATOM 935 O GLN A 61 2.905 14.174 -13.318 1.00 0.00 O ATOM 936 CB GLN A 61 2.098 13.001 -15.708 1.00 0.00 C ATOM 937 CG GLN A 61 1.918 12.322 -17.055 1.00 0.00 C ATOM 938 CD GLN A 61 0.650 12.755 -17.763 1.00 0.00 C ATOM 939 OE1 GLN A 61 0.694 13.515 -18.731 1.00 0.00 O ATOM 940 NE2 GLN A 61 -0.490 12.273 -17.284 1.00 0.00 N ATOM 0 H GLN A 61 3.423 10.228 -15.023 1.00 0.00 H new ATOM 0 HA GLN A 61 4.084 12.340 -15.223 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.130 13.064 -15.210 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.441 14.023 -15.869 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.777 12.545 -17.688 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.899 11.241 -16.913 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.481 11.646 -16.480 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.376 12.530 -17.720 1.00 0.00 H new ATOM 949 N SER A 62 3.381 12.184 -12.381 1.00 0.00 N ATOM 950 CA SER A 62 3.434 12.712 -11.023 1.00 0.00 C ATOM 951 C SER A 62 4.817 13.278 -10.715 1.00 0.00 C ATOM 952 O SER A 62 4.950 14.264 -9.989 1.00 0.00 O ATOM 953 CB SER A 62 3.082 11.619 -10.013 1.00 0.00 C ATOM 954 OG SER A 62 1.702 11.301 -10.067 1.00 0.00 O ATOM 0 H SER A 62 3.562 11.183 -12.452 1.00 0.00 H new ATOM 0 HA SER A 62 2.704 13.517 -10.944 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.673 10.726 -10.218 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.343 11.950 -9.008 1.00 0.00 H new ATOM 0 HG SER A 62 1.502 10.599 -9.413 1.00 0.00 H new ATOM 960 N VAL A 63 5.846 12.647 -11.272 1.00 0.00 N ATOM 961 CA VAL A 63 7.219 13.087 -11.058 1.00 0.00 C ATOM 962 C VAL A 63 7.938 13.307 -12.385 1.00 0.00 C ATOM 963 O VAL A 63 7.405 12.998 -13.450 1.00 0.00 O ATOM 964 CB VAL A 63 8.012 12.066 -10.220 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.594 12.135 -8.759 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.821 10.662 -10.772 1.00 0.00 C ATOM 0 H VAL A 63 5.754 11.829 -11.875 1.00 0.00 H new ATOM 0 HA VAL A 63 7.168 14.030 -10.514 1.00 0.00 H new ATOM 0 HB VAL A 63 9.071 12.315 -10.282 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.165 11.407 -8.183 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.787 13.136 -8.372 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.530 11.912 -8.674 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.388 9.953 -10.168 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.763 10.400 -10.742 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.174 10.625 -11.802 1.00 0.00 H new ATOM 976 N ARG A 64 9.153 13.841 -12.311 1.00 0.00 N ATOM 977 CA ARG A 64 9.946 14.103 -13.507 1.00 0.00 C ATOM 978 C ARG A 64 10.748 12.869 -13.908 1.00 0.00 C ATOM 979 O ARG A 64 10.871 12.555 -15.091 1.00 0.00 O ATOM 980 CB ARG A 64 10.890 15.283 -13.270 1.00 0.00 C ATOM 981 CG ARG A 64 10.171 16.585 -12.954 1.00 0.00 C ATOM 982 CD ARG A 64 11.114 17.775 -13.033 1.00 0.00 C ATOM 983 NE ARG A 64 11.755 18.053 -11.750 1.00 0.00 N ATOM 984 CZ ARG A 64 12.747 18.922 -11.597 1.00 0.00 C ATOM 985 NH1 ARG A 64 13.209 19.596 -12.641 1.00 0.00 N ATOM 986 NH2 ARG A 64 13.278 19.120 -10.397 1.00 0.00 N ATOM 0 H ARG A 64 9.610 14.101 -11.437 1.00 0.00 H new ATOM 0 HA ARG A 64 9.262 14.351 -14.319 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.562 15.040 -12.447 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.509 15.425 -14.156 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.347 16.726 -13.653 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.737 16.529 -11.956 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.878 17.582 -13.786 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.560 18.655 -13.360 1.00 0.00 H new ATOM 0 HE ARG A 64 11.422 17.552 -10.926 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.802 19.448 -13.565 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.971 20.263 -12.521 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.924 18.604 -9.591 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.040 19.788 -10.280 1.00 0.00 H new ATOM 1000 N ASN A 65 11.291 12.174 -12.914 1.00 0.00 N ATOM 1001 CA ASN A 65 12.083 10.974 -13.164 1.00 0.00 C ATOM 1002 C ASN A 65 11.983 10.003 -11.991 1.00 0.00 C ATOM 1003 O ASN A 65 11.300 10.274 -11.004 1.00 0.00 O ATOM 1004 CB ASN A 65 13.546 11.346 -13.410 1.00 0.00 C ATOM 1005 CG ASN A 65 13.973 12.570 -12.623 1.00 0.00 C ATOM 1006 OD1 ASN A 65 13.879 13.697 -13.108 1.00 0.00 O ATOM 1007 ND2 ASN A 65 14.444 12.352 -11.401 1.00 0.00 N ATOM 0 H ASN A 65 11.198 12.420 -11.929 1.00 0.00 H new ATOM 0 HA ASN A 65 11.686 10.484 -14.053 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.182 10.504 -13.139 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.697 11.531 -14.474 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.746 13.137 -10.823 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.504 11.400 -11.040 1.00 0.00 H new ATOM 1014 N ARG A 66 12.670 8.871 -12.108 1.00 0.00 N ATOM 1015 CA ARG A 66 12.659 7.859 -11.058 1.00 0.00 C ATOM 1016 C ARG A 66 13.024 8.472 -9.709 1.00 0.00 C ATOM 1017 O ARG A 66 12.226 8.450 -8.772 1.00 0.00 O ATOM 1018 CB ARG A 66 13.634 6.730 -11.398 1.00 0.00 C ATOM 1019 CG ARG A 66 13.029 5.649 -12.278 1.00 0.00 C ATOM 1020 CD ARG A 66 13.089 6.030 -13.749 1.00 0.00 C ATOM 1021 NE ARG A 66 12.362 5.082 -14.590 1.00 0.00 N ATOM 1022 CZ ARG A 66 12.449 5.059 -15.915 1.00 0.00 C ATOM 1023 NH1 ARG A 66 13.226 5.927 -16.548 1.00 0.00 N ATOM 1024 NH2 ARG A 66 11.757 4.165 -16.611 1.00 0.00 N ATOM 0 H ARG A 66 13.241 8.632 -12.919 1.00 0.00 H new ATOM 0 HA ARG A 66 11.650 7.451 -10.992 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.504 7.152 -11.901 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.989 6.277 -10.473 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.562 4.711 -12.122 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.992 5.479 -11.987 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.671 7.028 -13.882 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.130 6.075 -14.070 1.00 0.00 H new ATOM 0 HE ARG A 66 11.755 4.401 -14.135 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.760 6.615 -16.017 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.290 5.906 -17.566 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.158 3.495 -16.128 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.824 4.148 -17.629 1.00 0.00 H new ATOM 1038 N GLN A 67 14.233 9.015 -9.619 1.00 0.00 N ATOM 1039 CA GLN A 67 14.703 9.632 -8.384 1.00 0.00 C ATOM 1040 C GLN A 67 13.616 10.501 -7.761 1.00 0.00 C ATOM 1041 O GLN A 67 13.346 10.410 -6.564 1.00 0.00 O ATOM 1042 CB GLN A 67 15.953 10.473 -8.653 1.00 0.00 C ATOM 1043 CG GLN A 67 17.250 9.689 -8.535 1.00 0.00 C ATOM 1044 CD GLN A 67 17.816 9.704 -7.129 1.00 0.00 C ATOM 1045 OE1 GLN A 67 17.484 10.574 -6.323 1.00 0.00 O ATOM 1046 NE2 GLN A 67 18.675 8.738 -6.826 1.00 0.00 N ATOM 0 H GLN A 67 14.905 9.041 -10.386 1.00 0.00 H new ATOM 0 HA GLN A 67 14.953 8.836 -7.682 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.886 10.899 -9.654 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.977 11.307 -7.952 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.076 8.658 -8.841 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.986 10.106 -9.223 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.922 8.037 -7.525 1.00 0.00 H new ATOM 0 HE22 GLN A 67 19.088 8.697 -5.894 1.00 0.00 H new ATOM 1055 N GLU A 68 12.995 11.343 -8.582 1.00 0.00 N ATOM 1056 CA GLU A 68 11.938 12.229 -8.110 1.00 0.00 C ATOM 1057 C GLU A 68 10.862 11.443 -7.364 1.00 0.00 C ATOM 1058 O GLU A 68 10.337 11.898 -6.349 1.00 0.00 O ATOM 1059 CB GLU A 68 11.312 12.983 -9.284 1.00 0.00 C ATOM 1060 CG GLU A 68 12.163 14.135 -9.791 1.00 0.00 C ATOM 1061 CD GLU A 68 12.749 14.966 -8.665 1.00 0.00 C ATOM 1062 OE1 GLU A 68 11.966 15.493 -7.848 1.00 0.00 O ATOM 1063 OE2 GLU A 68 13.990 15.089 -8.603 1.00 0.00 O ATOM 0 H GLU A 68 13.206 11.430 -9.576 1.00 0.00 H new ATOM 0 HA GLU A 68 12.382 12.948 -7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.137 12.284 -10.102 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.339 13.368 -8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.972 13.741 -10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.557 14.775 -10.433 1.00 0.00 H new ATOM 1070 N GLY A 69 10.539 10.260 -7.878 1.00 0.00 N ATOM 1071 CA GLY A 69 9.528 9.430 -7.250 1.00 0.00 C ATOM 1072 C GLY A 69 10.035 8.749 -5.994 1.00 0.00 C ATOM 1073 O GLY A 69 9.252 8.198 -5.218 1.00 0.00 O ATOM 0 H GLY A 69 10.959 9.862 -8.718 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.661 10.043 -7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.191 8.674 -7.959 1.00 0.00 H new ATOM 1077 N LEU A 70 11.347 8.785 -5.792 1.00 0.00 N ATOM 1078 CA LEU A 70 11.959 8.166 -4.621 1.00 0.00 C ATOM 1079 C LEU A 70 11.439 8.800 -3.335 1.00 0.00 C ATOM 1080 O LEU A 70 11.215 8.113 -2.339 1.00 0.00 O ATOM 1081 CB LEU A 70 13.481 8.294 -4.689 1.00 0.00 C ATOM 1082 CG LEU A 70 14.280 7.156 -4.052 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.634 6.716 -2.748 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.397 5.984 -5.014 1.00 0.00 C ATOM 0 H LEU A 70 12.008 9.236 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 70 11.690 7.110 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.772 8.374 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.769 9.228 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 70 15.283 7.520 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.216 5.906 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.603 7.557 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.619 6.369 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.969 5.183 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.401 5.619 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.905 6.308 -5.922 1.00 0.00 H new ATOM 1096 N MET A 71 11.249 10.115 -3.366 1.00 0.00 N ATOM 1097 CA MET A 71 10.753 10.842 -2.203 1.00 0.00 C ATOM 1098 C MET A 71 9.288 10.509 -1.938 1.00 0.00 C ATOM 1099 O MET A 71 8.915 10.158 -0.818 1.00 0.00 O ATOM 1100 CB MET A 71 10.916 12.349 -2.409 1.00 0.00 C ATOM 1101 CG MET A 71 12.327 12.760 -2.797 1.00 0.00 C ATOM 1102 SD MET A 71 12.696 14.471 -2.365 1.00 0.00 S ATOM 1103 CE MET A 71 11.556 15.345 -3.435 1.00 0.00 C ATOM 0 H MET A 71 11.431 10.698 -4.183 1.00 0.00 H new ATOM 0 HA MET A 71 11.340 10.535 -1.337 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.224 12.678 -3.184 1.00 0.00 H new ATOM 0 HB3 MET A 71 10.635 12.865 -1.491 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.042 12.102 -2.302 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.459 12.624 -3.870 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.690 16.419 -3.309 1.00 0.00 H new ATOM 0 HE2 MET A 71 11.751 15.074 -4.473 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.533 15.074 -3.175 1.00 0.00 H new ATOM 1113 N ILE A 72 8.464 10.622 -2.974 1.00 0.00 N ATOM 1114 CA ILE A 72 7.040 10.331 -2.852 1.00 0.00 C ATOM 1115 C ILE A 72 6.808 8.881 -2.443 1.00 0.00 C ATOM 1116 O ILE A 72 6.047 8.600 -1.518 1.00 0.00 O ATOM 1117 CB ILE A 72 6.295 10.606 -4.171 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.501 12.059 -4.606 1.00 0.00 C ATOM 1119 CG2 ILE A 72 4.813 10.299 -4.016 1.00 0.00 C ATOM 1120 CD1 ILE A 72 5.878 13.065 -3.664 1.00 0.00 C ATOM 0 H ILE A 72 8.757 10.913 -3.907 1.00 0.00 H new ATOM 0 HA ILE A 72 6.648 10.991 -2.078 1.00 0.00 H new ATOM 0 HB ILE A 72 6.703 9.954 -4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.570 12.259 -4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.079 12.195 -5.602 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.300 10.498 -4.957 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.685 9.250 -3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.391 10.928 -3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.063 14.073 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.803 12.892 -3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.318 12.956 -2.673 1.00 0.00 H new ATOM 1132 N ALA A 73 7.472 7.962 -3.137 1.00 0.00 N ATOM 1133 CA ALA A 73 7.341 6.541 -2.844 1.00 0.00 C ATOM 1134 C ALA A 73 7.772 6.233 -1.414 1.00 0.00 C ATOM 1135 O ALA A 73 7.126 5.452 -0.715 1.00 0.00 O ATOM 1136 CB ALA A 73 8.158 5.720 -3.831 1.00 0.00 C ATOM 0 H ALA A 73 8.106 8.177 -3.906 1.00 0.00 H new ATOM 0 HA ALA A 73 6.290 6.271 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.050 4.660 -3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.802 5.908 -4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.208 6.003 -3.758 1.00 0.00 H new ATOM 1142 N SER A 74 8.867 6.853 -0.984 1.00 0.00 N ATOM 1143 CA SER A 74 9.386 6.641 0.362 1.00 0.00 C ATOM 1144 C SER A 74 8.391 7.129 1.411 1.00 0.00 C ATOM 1145 O SER A 74 7.992 6.378 2.301 1.00 0.00 O ATOM 1146 CB SER A 74 10.723 7.365 0.535 1.00 0.00 C ATOM 1147 OG SER A 74 11.713 6.818 -0.319 1.00 0.00 O ATOM 0 H SER A 74 9.411 7.506 -1.548 1.00 0.00 H new ATOM 0 HA SER A 74 9.539 5.571 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.597 8.426 0.318 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.050 7.289 1.572 1.00 0.00 H new ATOM 0 HG SER A 74 11.526 7.078 -1.245 1.00 0.00 H new ATOM 1153 N SER A 75 7.995 8.393 1.299 1.00 0.00 N ATOM 1154 CA SER A 75 7.050 8.984 2.239 1.00 0.00 C ATOM 1155 C SER A 75 5.873 8.045 2.488 1.00 0.00 C ATOM 1156 O SER A 75 5.482 7.810 3.632 1.00 0.00 O ATOM 1157 CB SER A 75 6.543 10.327 1.709 1.00 0.00 C ATOM 1158 OG SER A 75 6.227 10.244 0.330 1.00 0.00 O ATOM 0 H SER A 75 8.314 9.027 0.567 1.00 0.00 H new ATOM 0 HA SER A 75 7.569 9.147 3.184 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.660 10.633 2.270 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.302 11.094 1.866 1.00 0.00 H new ATOM 0 HG SER A 75 6.442 9.347 -0.001 1.00 0.00 H new ATOM 1164 N LEU A 76 5.311 7.512 1.409 1.00 0.00 N ATOM 1165 CA LEU A 76 4.178 6.599 1.508 1.00 0.00 C ATOM 1166 C LEU A 76 4.435 5.525 2.561 1.00 0.00 C ATOM 1167 O LEU A 76 3.508 5.056 3.223 1.00 0.00 O ATOM 1168 CB LEU A 76 3.905 5.944 0.153 1.00 0.00 C ATOM 1169 CG LEU A 76 3.113 6.784 -0.850 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.231 6.197 -2.249 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.653 6.879 -0.431 1.00 0.00 C ATOM 0 H LEU A 76 5.622 7.696 0.455 1.00 0.00 H new ATOM 0 HA LEU A 76 3.304 7.176 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.861 5.679 -0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.365 5.013 0.324 1.00 0.00 H new ATOM 0 HG LEU A 76 3.533 7.790 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.661 6.808 -2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.279 6.182 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.838 5.180 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.105 7.480 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.221 5.879 -0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.586 7.346 0.552 1.00 0.00 H new ATOM 1183 N LEU A 77 5.697 5.142 2.712 1.00 0.00 N ATOM 1184 CA LEU A 77 6.077 4.126 3.687 1.00 0.00 C ATOM 1185 C LEU A 77 6.273 4.742 5.069 1.00 0.00 C ATOM 1186 O LEU A 77 6.134 4.065 6.086 1.00 0.00 O ATOM 1187 CB LEU A 77 7.360 3.420 3.244 1.00 0.00 C ATOM 1188 CG LEU A 77 7.178 2.208 2.330 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.518 1.756 1.770 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.501 1.071 3.080 1.00 0.00 C ATOM 0 H LEU A 77 6.475 5.520 2.172 1.00 0.00 H new ATOM 0 HA LEU A 77 5.270 3.396 3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.991 4.145 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.901 3.100 4.135 1.00 0.00 H new ATOM 0 HG LEU A 77 6.538 2.498 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.369 0.892 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.965 2.568 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.182 1.483 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.380 0.217 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.115 0.781 3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.523 1.399 3.432 1.00 0.00 H new ATOM 1202 N ASN A 78 6.595 6.031 5.095 1.00 0.00 N ATOM 1203 CA ASN A 78 6.808 6.740 6.352 1.00 0.00 C ATOM 1204 C ASN A 78 5.481 7.010 7.056 1.00 0.00 C ATOM 1205 O ASN A 78 5.403 6.985 8.284 1.00 0.00 O ATOM 1206 CB ASN A 78 7.542 8.058 6.100 1.00 0.00 C ATOM 1207 CG ASN A 78 9.049 7.903 6.169 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.561 6.979 6.801 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.767 8.810 5.517 1.00 0.00 N ATOM 0 H ASN A 78 6.714 6.606 4.261 1.00 0.00 H new ATOM 0 HA ASN A 78 7.419 6.109 6.997 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.264 8.444 5.119 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.221 8.796 6.836 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.786 8.758 5.527 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.300 9.559 5.006 1.00 0.00 H new ATOM 1216 N GLU A 79 4.441 7.267 6.269 1.00 0.00 N ATOM 1217 CA GLU A 79 3.119 7.541 6.818 1.00 0.00 C ATOM 1218 C GLU A 79 2.372 6.244 7.112 1.00 0.00 C ATOM 1219 O GLU A 79 1.657 6.138 8.108 1.00 0.00 O ATOM 1220 CB GLU A 79 2.307 8.400 5.846 1.00 0.00 C ATOM 1221 CG GLU A 79 2.848 9.811 5.684 1.00 0.00 C ATOM 1222 CD GLU A 79 2.318 10.763 6.738 1.00 0.00 C ATOM 1223 OE1 GLU A 79 2.303 10.384 7.928 1.00 0.00 O ATOM 1224 OE2 GLU A 79 1.919 11.889 6.374 1.00 0.00 O ATOM 0 H GLU A 79 4.489 7.291 5.250 1.00 0.00 H new ATOM 0 HA GLU A 79 3.248 8.086 7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.289 7.913 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.276 8.453 6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.937 9.787 5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.584 10.186 4.695 1.00 0.00 H new ATOM 1231 N GLY A 80 2.543 5.257 6.237 1.00 0.00 N ATOM 1232 CA GLY A 80 1.879 3.980 6.420 1.00 0.00 C ATOM 1233 C GLY A 80 1.142 3.527 5.175 1.00 0.00 C ATOM 1234 O GLY A 80 0.656 2.397 5.110 1.00 0.00 O ATOM 0 H GLY A 80 3.130 5.320 5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.617 3.227 6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.175 4.055 7.248 1.00 0.00 H new ATOM 1238 N TYR A 81 1.056 4.409 4.186 1.00 0.00 N ATOM 1239 CA TYR A 81 0.369 4.095 2.939 1.00 0.00 C ATOM 1240 C TYR A 81 0.906 2.802 2.332 1.00 0.00 C ATOM 1241 O TYR A 81 0.165 2.040 1.708 1.00 0.00 O ATOM 1242 CB TYR A 81 0.528 5.243 1.941 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.242 6.487 2.323 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.630 6.472 2.400 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.416 7.677 2.605 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.338 7.606 2.747 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.283 8.816 2.955 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.660 8.775 3.024 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.361 9.908 3.371 1.00 0.00 O ATOM 0 H TYR A 81 1.454 5.348 4.224 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.689 3.960 3.162 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.585 5.493 1.853 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.196 4.908 0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.164 5.558 2.185 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.494 7.713 2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.416 7.578 2.801 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.245 9.732 3.173 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.734 10.643 3.535 1.00 0.00 H new ATOM 1259 N LEU A 82 2.198 2.560 2.520 1.00 0.00 N ATOM 1260 CA LEU A 82 2.836 1.359 1.992 1.00 0.00 C ATOM 1261 C LEU A 82 3.485 0.551 3.112 1.00 0.00 C ATOM 1262 O LEU A 82 3.845 1.096 4.155 1.00 0.00 O ATOM 1263 CB LEU A 82 3.885 1.733 0.944 1.00 0.00 C ATOM 1264 CG LEU A 82 3.347 2.286 -0.376 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.467 2.924 -1.184 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.669 1.185 -1.179 1.00 0.00 C ATOM 0 H LEU A 82 2.825 3.179 3.034 1.00 0.00 H new ATOM 0 HA LEU A 82 2.067 0.745 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.556 2.474 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.484 0.849 0.727 1.00 0.00 H new ATOM 0 HG LEU A 82 2.606 3.053 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.065 3.312 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.908 3.741 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.231 2.177 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.292 1.597 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.389 0.395 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.840 0.773 -0.604 1.00 0.00 H new ATOM 1278 N GLN A 83 3.633 -0.751 2.886 1.00 0.00 N ATOM 1279 CA GLN A 83 4.241 -1.633 3.875 1.00 0.00 C ATOM 1280 C GLN A 83 5.335 -2.487 3.244 1.00 0.00 C ATOM 1281 O GLN A 83 5.182 -3.024 2.146 1.00 0.00 O ATOM 1282 CB GLN A 83 3.178 -2.532 4.508 1.00 0.00 C ATOM 1283 CG GLN A 83 2.102 -1.766 5.261 1.00 0.00 C ATOM 1284 CD GLN A 83 2.601 -1.198 6.575 1.00 0.00 C ATOM 1285 OE1 GLN A 83 3.681 -1.554 7.048 1.00 0.00 O ATOM 1286 NE2 GLN A 83 1.816 -0.309 7.173 1.00 0.00 N ATOM 0 H GLN A 83 3.340 -1.218 2.027 1.00 0.00 H new ATOM 0 HA GLN A 83 4.692 -1.013 4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.708 -3.129 3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.663 -3.228 5.193 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.734 -0.953 4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.257 -2.428 5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.929 -0.043 6.746 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.100 0.107 8.060 1.00 0.00 H new ATOM 1295 N PRO A 84 6.467 -2.617 3.951 1.00 0.00 N ATOM 1296 CA PRO A 84 7.610 -3.404 3.480 1.00 0.00 C ATOM 1297 C PRO A 84 7.322 -4.902 3.481 1.00 0.00 C ATOM 1298 O PRO A 84 6.607 -5.405 4.347 1.00 0.00 O ATOM 1299 CB PRO A 84 8.712 -3.071 4.489 1.00 0.00 C ATOM 1300 CG PRO A 84 7.984 -2.675 5.727 1.00 0.00 C ATOM 1301 CD PRO A 84 6.719 -2.005 5.267 1.00 0.00 C ATOM 0 HA PRO A 84 7.871 -3.165 2.449 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.358 -3.930 4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.348 -2.263 4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.762 -3.545 6.345 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.586 -1.998 6.334 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.895 -2.184 5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.841 -0.925 5.191 1.00 0.00 H new ATOM 1309 N ALA A 85 7.883 -5.609 2.506 1.00 0.00 N ATOM 1310 CA ALA A 85 7.689 -7.049 2.397 1.00 0.00 C ATOM 1311 C ALA A 85 9.012 -7.765 2.145 1.00 0.00 C ATOM 1312 O ALA A 85 9.425 -7.941 1.000 1.00 0.00 O ATOM 1313 CB ALA A 85 6.696 -7.365 1.288 1.00 0.00 C ATOM 0 H ALA A 85 8.476 -5.207 1.780 1.00 0.00 H new ATOM 0 HA ALA A 85 7.287 -7.409 3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.561 -8.444 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.739 -6.893 1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.076 -6.984 0.340 1.00 0.00 H new ATOM 1319 N GLY A 86 9.672 -8.175 3.223 1.00 0.00 N ATOM 1320 CA GLY A 86 10.942 -8.866 3.097 1.00 0.00 C ATOM 1321 C GLY A 86 12.035 -8.228 3.932 1.00 0.00 C ATOM 1322 O GLY A 86 11.940 -7.057 4.301 1.00 0.00 O ATOM 0 H GLY A 86 9.350 -8.041 4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.818 -9.906 3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.246 -8.873 2.050 1.00 0.00 H new ATOM 1326 N ASP A 87 13.074 -8.999 4.232 1.00 0.00 N ATOM 1327 CA ASP A 87 14.189 -8.502 5.030 1.00 0.00 C ATOM 1328 C ASP A 87 14.902 -7.359 4.315 1.00 0.00 C ATOM 1329 O ASP A 87 15.378 -6.418 4.949 1.00 0.00 O ATOM 1330 CB ASP A 87 15.178 -9.632 5.322 1.00 0.00 C ATOM 1331 CG ASP A 87 14.489 -10.894 5.803 1.00 0.00 C ATOM 1332 OD1 ASP A 87 13.742 -10.819 6.801 1.00 0.00 O ATOM 1333 OD2 ASP A 87 14.697 -11.958 5.182 1.00 0.00 O ATOM 0 H ASP A 87 13.168 -9.970 3.935 1.00 0.00 H new ATOM 0 HA ASP A 87 13.790 -8.125 5.972 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.748 -9.854 4.420 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.891 -9.301 6.077 1.00 0.00 H new ATOM 1338 N MET A 88 14.972 -7.448 2.991 1.00 0.00 N ATOM 1339 CA MET A 88 15.627 -6.420 2.189 1.00 0.00 C ATOM 1340 C MET A 88 15.178 -5.027 2.620 1.00 0.00 C ATOM 1341 O MET A 88 16.002 -4.176 2.956 1.00 0.00 O ATOM 1342 CB MET A 88 15.323 -6.630 0.705 1.00 0.00 C ATOM 1343 CG MET A 88 15.976 -5.598 -0.201 1.00 0.00 C ATOM 1344 SD MET A 88 16.336 -6.245 -1.845 1.00 0.00 S ATOM 1345 CE MET A 88 16.620 -4.727 -2.752 1.00 0.00 C ATOM 0 H MET A 88 14.584 -8.221 2.450 1.00 0.00 H new ATOM 0 HA MET A 88 16.702 -6.501 2.347 1.00 0.00 H new ATOM 0 HB2 MET A 88 15.659 -7.624 0.411 1.00 0.00 H new ATOM 0 HB3 MET A 88 14.244 -6.601 0.556 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.320 -4.732 -0.291 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.901 -5.250 0.259 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.139 -4.952 -3.684 1.00 0.00 H new ATOM 0 HE2 MET A 88 15.665 -4.252 -2.975 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.229 -4.052 -2.150 1.00 0.00 H new ATOM 1355 N SER A 89 13.868 -4.802 2.607 1.00 0.00 N ATOM 1356 CA SER A 89 13.311 -3.510 2.993 1.00 0.00 C ATOM 1357 C SER A 89 13.168 -3.411 4.508 1.00 0.00 C ATOM 1358 O SER A 89 13.554 -2.413 5.117 1.00 0.00 O ATOM 1359 CB SER A 89 11.951 -3.298 2.325 1.00 0.00 C ATOM 1360 OG SER A 89 12.100 -2.745 1.029 1.00 0.00 O ATOM 0 H SER A 89 13.173 -5.497 2.334 1.00 0.00 H new ATOM 0 HA SER A 89 13.997 -2.731 2.659 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.422 -4.249 2.259 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.340 -2.636 2.938 1.00 0.00 H new ATOM 0 HG SER A 89 11.483 -1.991 0.922 1.00 0.00 H new ATOM 1366 N LYS A 90 12.609 -4.454 5.113 1.00 0.00 N ATOM 1367 CA LYS A 90 12.414 -4.488 6.557 1.00 0.00 C ATOM 1368 C LYS A 90 13.666 -4.011 7.286 1.00 0.00 C ATOM 1369 O LYS A 90 13.585 -3.466 8.387 1.00 0.00 O ATOM 1370 CB LYS A 90 12.055 -5.904 7.011 1.00 0.00 C ATOM 1371 CG LYS A 90 10.565 -6.199 6.964 1.00 0.00 C ATOM 1372 CD LYS A 90 10.232 -7.501 7.673 1.00 0.00 C ATOM 1373 CE LYS A 90 8.904 -8.070 7.198 1.00 0.00 C ATOM 1374 NZ LYS A 90 7.754 -7.224 7.624 1.00 0.00 N ATOM 0 H LYS A 90 12.283 -5.288 4.624 1.00 0.00 H new ATOM 0 HA LYS A 90 11.593 -3.815 6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.579 -6.622 6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.414 -6.052 8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.016 -5.380 7.429 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.237 -6.254 5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.025 -8.227 7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.192 -7.331 8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.912 -8.152 6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.779 -9.078 7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.867 -7.645 7.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.731 -7.167 8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.860 -6.269 7.227 1.00 0.00 H new ATOM 1388 N SER A 91 14.822 -4.219 6.665 1.00 0.00 N ATOM 1389 CA SER A 91 16.092 -3.812 7.257 1.00 0.00 C ATOM 1390 C SER A 91 16.368 -2.336 6.989 1.00 0.00 C ATOM 1391 O SER A 91 17.024 -1.662 7.782 1.00 0.00 O ATOM 1392 CB SER A 91 17.234 -4.665 6.701 1.00 0.00 C ATOM 1393 OG SER A 91 18.456 -4.369 7.355 1.00 0.00 O ATOM 0 H SER A 91 14.906 -4.667 5.752 1.00 0.00 H new ATOM 0 HA SER A 91 16.027 -3.962 8.335 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.997 -5.722 6.826 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.338 -4.486 5.631 1.00 0.00 H new ATOM 0 HG SER A 91 19.170 -4.928 6.983 1.00 0.00 H new ATOM 1399 N ALA A 92 15.861 -1.840 5.865 1.00 0.00 N ATOM 1400 CA ALA A 92 16.050 -0.444 5.492 1.00 0.00 C ATOM 1401 C ALA A 92 15.126 0.468 6.293 1.00 0.00 C ATOM 1402 O ALA A 92 15.570 1.453 6.884 1.00 0.00 O ATOM 1403 CB ALA A 92 15.814 -0.259 4.000 1.00 0.00 C ATOM 0 H ALA A 92 15.316 -2.385 5.197 1.00 0.00 H new ATOM 0 HA ALA A 92 17.079 -0.168 5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.959 0.789 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.519 -0.875 3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.795 -0.558 3.753 1.00 0.00 H new ATOM 1409 N VAL A 93 13.840 0.134 6.307 1.00 0.00 N ATOM 1410 CA VAL A 93 12.853 0.923 7.036 1.00 0.00 C ATOM 1411 C VAL A 93 13.227 1.046 8.509 1.00 0.00 C ATOM 1412 O VAL A 93 13.084 2.111 9.109 1.00 0.00 O ATOM 1413 CB VAL A 93 11.447 0.305 6.924 1.00 0.00 C ATOM 1414 CG1 VAL A 93 11.016 0.218 5.468 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.414 -1.066 7.582 1.00 0.00 C ATOM 0 H VAL A 93 13.457 -0.677 5.822 1.00 0.00 H new ATOM 0 HA VAL A 93 12.843 1.914 6.583 1.00 0.00 H new ATOM 0 HB VAL A 93 10.742 0.951 7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.020 -0.221 5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.998 1.217 5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.720 -0.405 4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.413 -1.488 7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.130 -1.724 7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.675 -0.970 8.636 1.00 0.00 H new ATOM 1425 N ASP A 94 13.707 -0.051 9.085 1.00 0.00 N ATOM 1426 CA ASP A 94 14.104 -0.066 10.488 1.00 0.00 C ATOM 1427 C ASP A 94 15.446 0.633 10.681 1.00 0.00 C ATOM 1428 O ASP A 94 15.588 1.498 11.544 1.00 0.00 O ATOM 1429 CB ASP A 94 14.185 -1.505 11.001 1.00 0.00 C ATOM 1430 CG ASP A 94 14.158 -1.582 12.515 1.00 0.00 C ATOM 1431 OD1 ASP A 94 13.551 -0.689 13.144 1.00 0.00 O ATOM 1432 OD2 ASP A 94 14.742 -2.535 13.071 1.00 0.00 O ATOM 0 H ASP A 94 13.830 -0.941 8.602 1.00 0.00 H new ATOM 0 HA ASP A 94 13.349 0.474 11.060 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.352 -2.080 10.596 1.00 0.00 H new ATOM 0 HB3 ASP A 94 15.100 -1.968 10.633 1.00 0.00 H new ATOM 1483 N ASN A 99 15.654 7.579 3.693 1.00 0.00 N ATOM 1484 CA ASN A 99 14.676 7.041 2.754 1.00 0.00 C ATOM 1485 C ASN A 99 14.513 5.535 2.942 1.00 0.00 C ATOM 1486 O ASN A 99 15.379 4.741 2.573 1.00 0.00 O ATOM 1487 CB ASN A 99 15.100 7.343 1.315 1.00 0.00 C ATOM 1488 CG ASN A 99 15.551 8.780 1.136 1.00 0.00 C ATOM 1489 OD1 ASN A 99 16.704 9.042 0.792 1.00 0.00 O ATOM 1490 ND2 ASN A 99 14.641 9.719 1.368 1.00 0.00 N ATOM 0 HA ASN A 99 13.717 7.520 2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 99 15.910 6.672 1.029 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.266 7.140 0.643 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.886 10.704 1.263 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.697 9.456 1.651 1.00 0.00 H new ATOM 1497 N PRO A 100 13.376 5.132 3.529 1.00 0.00 N ATOM 1498 CA PRO A 100 13.072 3.720 3.778 1.00 0.00 C ATOM 1499 C PRO A 100 12.795 2.951 2.491 1.00 0.00 C ATOM 1500 O PRO A 100 12.578 1.739 2.514 1.00 0.00 O ATOM 1501 CB PRO A 100 11.814 3.776 4.648 1.00 0.00 C ATOM 1502 CG PRO A 100 11.174 5.077 4.304 1.00 0.00 C ATOM 1503 CD PRO A 100 12.300 6.023 3.994 1.00 0.00 C ATOM 0 HA PRO A 100 13.908 3.200 4.246 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.149 2.939 4.436 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.063 3.725 5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.508 4.970 3.448 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.571 5.447 5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.018 6.746 3.229 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.601 6.591 4.874 1.00 0.00 H new ATOM 1511 N PHE A 101 12.805 3.662 1.368 1.00 0.00 N ATOM 1512 CA PHE A 101 12.555 3.045 0.070 1.00 0.00 C ATOM 1513 C PHE A 101 13.865 2.652 -0.606 1.00 0.00 C ATOM 1514 O PHE A 101 14.822 3.427 -0.631 1.00 0.00 O ATOM 1515 CB PHE A 101 11.770 4.002 -0.829 1.00 0.00 C ATOM 1516 CG PHE A 101 10.869 3.302 -1.807 1.00 0.00 C ATOM 1517 CD1 PHE A 101 9.679 2.731 -1.386 1.00 0.00 C ATOM 1518 CD2 PHE A 101 11.213 3.215 -3.146 1.00 0.00 C ATOM 1519 CE1 PHE A 101 8.848 2.087 -2.283 1.00 0.00 C ATOM 1520 CE2 PHE A 101 10.386 2.573 -4.048 1.00 0.00 C ATOM 1521 CZ PHE A 101 9.202 2.007 -3.615 1.00 0.00 C ATOM 0 H PHE A 101 12.983 4.666 1.331 1.00 0.00 H new ATOM 0 HA PHE A 101 11.965 2.143 0.231 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.171 4.665 -0.205 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.472 4.630 -1.378 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.398 2.790 -0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.138 3.654 -3.489 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.923 1.647 -1.942 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.665 2.514 -5.090 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.555 1.503 -4.317 1.00 0.00 H new ATOM 1531 N LEU A 102 13.901 1.442 -1.154 1.00 0.00 N ATOM 1532 CA LEU A 102 15.093 0.944 -1.832 1.00 0.00 C ATOM 1533 C LEU A 102 14.933 1.027 -3.346 1.00 0.00 C ATOM 1534 O LEU A 102 15.830 0.644 -4.097 1.00 0.00 O ATOM 1535 CB LEU A 102 15.373 -0.501 -1.415 1.00 0.00 C ATOM 1536 CG LEU A 102 15.653 -0.729 0.070 1.00 0.00 C ATOM 1537 CD1 LEU A 102 15.846 -2.211 0.356 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.875 0.064 0.511 1.00 0.00 C ATOM 0 H LEU A 102 13.119 0.788 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 102 15.936 1.570 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.517 -1.113 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.228 -0.863 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 102 14.792 -0.379 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 102 16.044 -2.354 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.943 -2.756 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.689 -2.587 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 102 17.059 -0.111 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.743 -0.255 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.699 1.127 0.344 1.00 0.00 H new ATOM 1550 N ASP A 103 13.786 1.532 -3.788 1.00 0.00 N ATOM 1551 CA ASP A 103 13.510 1.669 -5.213 1.00 0.00 C ATOM 1552 C ASP A 103 14.149 0.530 -6.003 1.00 0.00 C ATOM 1553 O ASP A 103 14.856 0.762 -6.983 1.00 0.00 O ATOM 1554 CB ASP A 103 14.025 3.014 -5.727 1.00 0.00 C ATOM 1555 CG ASP A 103 13.952 3.123 -7.238 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.235 2.310 -7.858 1.00 0.00 O ATOM 1557 OD2 ASP A 103 14.611 4.023 -7.800 1.00 0.00 O ATOM 0 H ASP A 103 13.033 1.853 -3.180 1.00 0.00 H new ATOM 0 HA ASP A 103 12.430 1.624 -5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.442 3.818 -5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.057 3.152 -5.405 1.00 0.00 H new ATOM 1562 N ASN A 104 13.896 -0.700 -5.567 1.00 0.00 N ATOM 1563 CA ASN A 104 14.448 -1.874 -6.232 1.00 0.00 C ATOM 1564 C ASN A 104 13.354 -2.897 -6.527 1.00 0.00 C ATOM 1565 O ASN A 104 12.340 -2.975 -5.834 1.00 0.00 O ATOM 1566 CB ASN A 104 15.537 -2.511 -5.367 1.00 0.00 C ATOM 1567 CG ASN A 104 16.915 -1.953 -5.668 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.277 -1.756 -6.827 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.689 -1.695 -4.620 1.00 0.00 N ATOM 0 H ASN A 104 13.313 -0.909 -4.757 1.00 0.00 H new ATOM 0 HA ASN A 104 14.886 -1.553 -7.177 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.304 -2.347 -4.315 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.541 -3.589 -5.529 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.626 -1.317 -4.759 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.346 -1.874 -3.676 1.00 0.00 H new ATOM 1576 N PRO A 105 13.564 -3.700 -7.581 1.00 0.00 N ATOM 1577 CA PRO A 105 12.608 -4.733 -7.991 1.00 0.00 C ATOM 1578 C PRO A 105 12.541 -5.889 -6.999 1.00 0.00 C ATOM 1579 O PRO A 105 11.621 -6.705 -7.042 1.00 0.00 O ATOM 1580 CB PRO A 105 13.160 -5.213 -9.335 1.00 0.00 C ATOM 1581 CG PRO A 105 14.618 -4.914 -9.274 1.00 0.00 C ATOM 1582 CD PRO A 105 14.750 -3.662 -8.452 1.00 0.00 C ATOM 0 HA PRO A 105 11.590 -4.347 -8.046 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.980 -6.278 -9.479 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.684 -4.694 -10.167 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.167 -5.739 -8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.029 -4.770 -10.273 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.674 -3.657 -7.873 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.761 -2.770 -9.078 1.00 0.00 H new ATOM 1590 N ASP A 106 13.522 -5.951 -6.104 1.00 0.00 N ATOM 1591 CA ASP A 106 13.574 -7.007 -5.099 1.00 0.00 C ATOM 1592 C ASP A 106 12.806 -6.601 -3.845 1.00 0.00 C ATOM 1593 O ASP A 106 12.458 -7.444 -3.019 1.00 0.00 O ATOM 1594 CB ASP A 106 15.026 -7.329 -4.742 1.00 0.00 C ATOM 1595 CG ASP A 106 15.675 -8.263 -5.744 1.00 0.00 C ATOM 1596 OD1 ASP A 106 14.950 -9.079 -6.351 1.00 0.00 O ATOM 1597 OD2 ASP A 106 16.908 -8.178 -5.921 1.00 0.00 O ATOM 0 H ASP A 106 14.291 -5.283 -6.054 1.00 0.00 H new ATOM 0 HA ASP A 106 13.105 -7.898 -5.518 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.598 -6.403 -4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 106 15.062 -7.782 -3.751 1.00 0.00 H new ATOM 1602 N ALA A 107 12.546 -5.305 -3.710 1.00 0.00 N ATOM 1603 CA ALA A 107 11.819 -4.788 -2.558 1.00 0.00 C ATOM 1604 C ALA A 107 10.312 -4.856 -2.783 1.00 0.00 C ATOM 1605 O ALA A 107 9.760 -4.107 -3.589 1.00 0.00 O ATOM 1606 CB ALA A 107 12.246 -3.358 -2.262 1.00 0.00 C ATOM 0 H ALA A 107 12.828 -4.594 -4.385 1.00 0.00 H new ATOM 0 HA ALA A 107 12.060 -5.413 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.695 -2.985 -1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.315 -3.334 -2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.035 -2.729 -3.127 1.00 0.00 H new ATOM 1612 N PHE A 108 9.652 -5.759 -2.066 1.00 0.00 N ATOM 1613 CA PHE A 108 8.208 -5.927 -2.190 1.00 0.00 C ATOM 1614 C PHE A 108 7.468 -4.942 -1.290 1.00 0.00 C ATOM 1615 O PHE A 108 7.934 -4.609 -0.200 1.00 0.00 O ATOM 1616 CB PHE A 108 7.807 -7.360 -1.835 1.00 0.00 C ATOM 1617 CG PHE A 108 8.632 -8.403 -2.533 1.00 0.00 C ATOM 1618 CD1 PHE A 108 8.754 -8.400 -3.913 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.286 -9.388 -1.809 1.00 0.00 C ATOM 1620 CE1 PHE A 108 9.513 -9.359 -4.559 1.00 0.00 C ATOM 1621 CE2 PHE A 108 10.046 -10.348 -2.449 1.00 0.00 C ATOM 1622 CZ PHE A 108 10.159 -10.335 -3.825 1.00 0.00 C ATOM 0 H PHE A 108 10.093 -6.386 -1.393 1.00 0.00 H new ATOM 0 HA PHE A 108 7.931 -5.726 -3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.897 -7.498 -0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.757 -7.509 -2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.250 -7.640 -4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 108 9.200 -9.405 -0.733 1.00 0.00 H new ATOM 0 HE1 PHE A 108 9.600 -9.345 -5.635 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.552 -11.109 -1.873 1.00 0.00 H new ATOM 0 HZ PHE A 108 10.751 -11.086 -4.326 1.00 0.00 H new ATOM 1632 N TYR A 109 6.312 -4.479 -1.754 1.00 0.00 N ATOM 1633 CA TYR A 109 5.508 -3.530 -0.993 1.00 0.00 C ATOM 1634 C TYR A 109 4.019 -3.807 -1.179 1.00 0.00 C ATOM 1635 O TYR A 109 3.556 -4.056 -2.292 1.00 0.00 O ATOM 1636 CB TYR A 109 5.829 -2.098 -1.423 1.00 0.00 C ATOM 1637 CG TYR A 109 7.259 -1.689 -1.147 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.693 -1.438 0.148 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.176 -1.556 -2.183 1.00 0.00 C ATOM 1640 CE1 TYR A 109 8.998 -1.064 0.405 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.483 -1.183 -1.936 1.00 0.00 C ATOM 1642 CZ TYR A 109 9.889 -0.938 -0.641 1.00 0.00 C ATOM 1643 OH TYR A 109 11.190 -0.567 -0.389 1.00 0.00 O ATOM 0 H TYR A 109 5.911 -4.746 -2.653 1.00 0.00 H new ATOM 0 HA TYR A 109 5.753 -3.649 0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.630 -1.995 -2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.158 -1.413 -0.905 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.998 -1.537 0.969 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.861 -1.748 -3.198 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.319 -0.871 1.418 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.183 -1.084 -2.752 1.00 0.00 H new ATOM 0 HH TYR A 109 11.742 -0.754 -1.177 1.00 0.00 H new ATOM 1653 N TYR A 110 3.274 -3.760 -0.080 1.00 0.00 N ATOM 1654 CA TYR A 110 1.838 -4.007 -0.119 1.00 0.00 C ATOM 1655 C TYR A 110 1.078 -2.922 0.638 1.00 0.00 C ATOM 1656 O TYR A 110 1.579 -2.362 1.613 1.00 0.00 O ATOM 1657 CB TYR A 110 1.519 -5.379 0.477 1.00 0.00 C ATOM 1658 CG TYR A 110 1.849 -5.492 1.948 1.00 0.00 C ATOM 1659 CD1 TYR A 110 3.111 -5.893 2.369 1.00 0.00 C ATOM 1660 CD2 TYR A 110 0.898 -5.196 2.918 1.00 0.00 C ATOM 1661 CE1 TYR A 110 3.416 -5.998 3.712 1.00 0.00 C ATOM 1662 CE2 TYR A 110 1.196 -5.296 4.263 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.455 -5.698 4.655 1.00 0.00 C ATOM 1664 OH TYR A 110 2.756 -5.801 5.994 1.00 0.00 O ATOM 0 H TYR A 110 3.641 -3.553 0.849 1.00 0.00 H new ATOM 0 HA TYR A 110 1.520 -3.988 -1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.459 -5.590 0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.073 -6.141 -0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 110 3.866 -6.127 1.633 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.090 -4.883 2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.401 -6.313 4.022 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.446 -5.060 5.004 1.00 0.00 H new ATOM 0 HH TYR A 110 1.971 -5.553 6.526 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.135 -2.630 0.180 1.00 0.00 N ATOM 1675 CA PHE A 111 -0.966 -1.612 0.813 1.00 0.00 C ATOM 1676 C PHE A 111 -1.577 -2.137 2.109 1.00 0.00 C ATOM 1677 O PHE A 111 -1.870 -3.324 2.251 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.075 -1.163 -0.142 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.560 -0.609 -1.440 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.773 0.531 -1.458 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.864 -1.228 -2.641 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.299 1.043 -2.651 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.392 -0.721 -3.837 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.608 0.416 -3.842 1.00 0.00 C ATOM 0 H PHE A 111 -0.564 -3.083 -0.627 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.332 -0.758 1.051 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.728 -2.010 -0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.684 -0.405 0.351 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.527 1.025 -0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.477 -2.117 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.313 1.933 -2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.636 -1.213 -4.767 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.237 0.814 -4.775 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.774 -1.231 3.079 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.351 -1.578 4.380 1.00 0.00 C ATOM 1696 C PRO A 112 -3.830 -1.938 4.281 1.00 0.00 C ATOM 1697 O PRO A 112 -4.391 -2.552 5.189 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.165 -0.301 5.203 1.00 0.00 C ATOM 1699 CG PRO A 112 -2.106 0.794 4.194 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.448 0.201 2.979 1.00 0.00 C ATOM 0 HA PRO A 112 -1.874 -2.456 4.816 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.991 -0.154 5.899 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.252 -0.342 5.797 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.105 1.161 3.957 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.536 1.643 4.572 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.835 0.638 2.059 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.371 0.369 2.983 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.455 -1.552 3.175 1.00 0.00 N ATOM 1709 CA ASP A 113 -5.869 -1.835 2.956 1.00 0.00 C ATOM 1710 C ASP A 113 -6.051 -3.168 2.236 1.00 0.00 C ATOM 1711 O ASP A 113 -6.894 -3.980 2.617 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.517 -0.711 2.147 1.00 0.00 C ATOM 1713 CG ASP A 113 -7.081 0.386 3.029 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -8.070 0.123 3.745 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -6.532 1.507 3.004 1.00 0.00 O ATOM 0 H ASP A 113 -4.005 -1.042 2.415 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.356 -1.899 3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.779 -0.284 1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.315 -1.124 1.531 1.00 0.00 H new ATOM 1720 N SER A 114 -5.257 -3.384 1.193 1.00 0.00 N ATOM 1721 CA SER A 114 -5.334 -4.615 0.416 1.00 0.00 C ATOM 1722 C SER A 114 -5.118 -5.835 1.307 1.00 0.00 C ATOM 1723 O SER A 114 -4.371 -5.780 2.283 1.00 0.00 O ATOM 1724 CB SER A 114 -4.295 -4.601 -0.708 1.00 0.00 C ATOM 1725 OG SER A 114 -4.621 -5.541 -1.716 1.00 0.00 O ATOM 0 H SER A 114 -4.553 -2.722 0.866 1.00 0.00 H new ATOM 0 HA SER A 114 -6.331 -4.677 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.238 -3.603 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.310 -4.828 -0.300 1.00 0.00 H new ATOM 0 HG SER A 114 -3.883 -5.602 -2.358 1.00 0.00 H new ATOM 1731 N GLY A 115 -5.779 -6.936 0.963 1.00 0.00 N ATOM 1732 CA GLY A 115 -5.647 -8.154 1.741 1.00 0.00 C ATOM 1733 C GLY A 115 -4.406 -8.944 1.376 1.00 0.00 C ATOM 1734 O GLY A 115 -4.471 -9.882 0.581 1.00 0.00 O ATOM 0 H GLY A 115 -6.403 -7.006 0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.615 -7.903 2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.528 -8.777 1.588 1.00 0.00 H new ATOM 1738 N PHE A 116 -3.273 -8.564 1.956 1.00 0.00 N ATOM 1739 CA PHE A 116 -2.010 -9.242 1.684 1.00 0.00 C ATOM 1740 C PHE A 116 -1.787 -10.388 2.666 1.00 0.00 C ATOM 1741 O PHE A 116 -2.338 -10.394 3.767 1.00 0.00 O ATOM 1742 CB PHE A 116 -0.847 -8.251 1.766 1.00 0.00 C ATOM 1743 CG PHE A 116 0.462 -8.893 2.126 1.00 0.00 C ATOM 1744 CD1 PHE A 116 0.772 -9.172 3.447 1.00 0.00 C ATOM 1745 CD2 PHE A 116 1.384 -9.216 1.143 1.00 0.00 C ATOM 1746 CE1 PHE A 116 1.976 -9.763 3.782 1.00 0.00 C ATOM 1747 CE2 PHE A 116 2.589 -9.808 1.472 1.00 0.00 C ATOM 1748 CZ PHE A 116 2.886 -10.080 2.793 1.00 0.00 C ATOM 0 H PHE A 116 -3.203 -7.791 2.617 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.056 -9.654 0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -0.743 -7.745 0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.083 -7.486 2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 116 0.064 -8.925 4.225 1.00 0.00 H new ATOM 0 HD2 PHE A 116 1.159 -9.003 0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 116 2.205 -9.976 4.816 1.00 0.00 H new ATOM 0 HE2 PHE A 116 3.298 -10.058 0.696 1.00 0.00 H new ATOM 0 HZ PHE A 116 3.828 -10.540 3.052 1.00 0.00 H new ATOM 1758 N PHE A 117 -0.976 -11.359 2.259 1.00 0.00 N ATOM 1759 CA PHE A 117 -0.680 -12.512 3.101 1.00 0.00 C ATOM 1760 C PHE A 117 0.532 -13.275 2.573 1.00 0.00 C ATOM 1761 O PHE A 117 0.633 -13.547 1.376 1.00 0.00 O ATOM 1762 CB PHE A 117 -1.892 -13.443 3.171 1.00 0.00 C ATOM 1763 CG PHE A 117 -2.169 -14.164 1.883 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -1.335 -15.183 1.451 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -3.264 -13.824 1.106 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -1.588 -15.847 0.265 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -3.522 -14.485 -0.081 1.00 0.00 C ATOM 1768 CZ PHE A 117 -2.684 -15.499 -0.500 1.00 0.00 C ATOM 0 H PHE A 117 -0.512 -11.370 1.351 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.450 -12.149 4.103 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.732 -14.176 3.961 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -2.771 -12.862 3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.478 -15.461 2.047 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.924 -13.033 1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -0.929 -16.637 -0.063 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -4.378 -14.208 -0.679 1.00 0.00 H new ATOM 0 HZ PHE A 117 -2.885 -16.019 -1.425 1.00 0.00 H new ATOM 1778 N CYS A 118 1.447 -13.615 3.473 1.00 0.00 N ATOM 1779 CA CYS A 118 2.653 -14.345 3.098 1.00 0.00 C ATOM 1780 C CYS A 118 2.466 -15.845 3.302 1.00 0.00 C ATOM 1781 O CYS A 118 1.931 -16.280 4.321 1.00 0.00 O ATOM 1782 CB CYS A 118 3.848 -13.852 3.917 1.00 0.00 C ATOM 1783 SG CYS A 118 3.805 -14.346 5.655 1.00 0.00 S ATOM 0 H CYS A 118 1.377 -13.397 4.467 1.00 0.00 H new ATOM 0 HA CYS A 118 2.845 -14.161 2.041 1.00 0.00 H new ATOM 0 HB2 CYS A 118 4.765 -14.230 3.465 1.00 0.00 H new ATOM 0 HB3 CYS A 118 3.890 -12.764 3.860 1.00 0.00 H new ATOM 0 HG CYS A 118 2.999 -15.356 5.799 1.00 0.00 H new ATOM 1789 N GLU A 119 2.910 -16.629 2.325 1.00 0.00 N ATOM 1790 CA GLU A 119 2.788 -18.081 2.396 1.00 0.00 C ATOM 1791 C GLU A 119 4.129 -18.723 2.739 1.00 0.00 C ATOM 1792 O GLU A 119 4.939 -19.001 1.856 1.00 0.00 O ATOM 1793 CB GLU A 119 2.268 -18.637 1.069 1.00 0.00 C ATOM 1794 CG GLU A 119 1.293 -17.712 0.361 1.00 0.00 C ATOM 1795 CD GLU A 119 0.475 -18.426 -0.697 1.00 0.00 C ATOM 1796 OE1 GLU A 119 -0.521 -19.085 -0.333 1.00 0.00 O ATOM 1797 OE2 GLU A 119 0.831 -18.325 -1.890 1.00 0.00 O ATOM 0 H GLU A 119 3.357 -16.284 1.476 1.00 0.00 H new ATOM 0 HA GLU A 119 2.077 -18.322 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 119 3.114 -18.832 0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 119 1.780 -19.594 1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.621 -17.267 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.845 -16.894 -0.102 1.00 0.00 H new