USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 636 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 94 ASN : amide:sc= 0 X(o=-0.11,f=0) USER MOD Set 1.2: A 97 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Set 2.1: A 84 MET CE :methyl 142:sc= -3.72 (180deg=-5.36!) USER MOD Set 2.2: A 88 ASN : amide:sc= -12.6! C(o=-16!,f=-16!) USER MOD Single : A 33 CYS SG : rot 180:sc= -1.61 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -105:sc= -6.14! (180deg=-11.3!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.504 K(o=-0.5,f=-1.9!) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= -0.43 (180deg=-0.57) USER MOD Single : A 53 THR OG1 : rot 104:sc= 1.02 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 113:sc= -0.0111 USER MOD Single : A 73 ASN : amide:sc= 0.517 K(o=0.52,f=-1) USER MOD Single : A 74 GLN : amide:sc= -8.14! C(o=-8.1!,f=-13!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.368 X(o=0.37,f=-0.021) USER MOD Single : A 82 SER OG : rot -164:sc= 0.783 USER MOD Single : A 83 LYS NZ :NH3+ -175:sc= 0.26 (180deg=0.239) USER MOD Single : A 85 MET CE :methyl 141:sc= -2.06! (180deg=-3.55!) USER MOD Single : A 86 GLN : amide:sc= -7.1! C(o=-7.1!,f=-12!) USER MOD Single : A 90 THR OG1 : rot 95:sc= 0.819 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -161:sc= -6.72! (180deg=-8.64!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.897 K(o=-0.9,f=-0.16) USER MOD Single : A 115 ASN : amide:sc= -2.91! K(o=-2.9!,f=-1.3) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N CYS A 33 -12.004 1.690 4.804 1.00 0.00 N ATOM 136 CA CYS A 33 -11.094 2.821 4.883 1.00 0.00 C ATOM 137 C CYS A 33 -10.490 3.049 3.497 1.00 0.00 C ATOM 138 O CYS A 33 -9.982 4.132 3.208 1.00 0.00 O ATOM 139 CB CYS A 33 -10.016 2.607 5.948 1.00 0.00 C ATOM 140 SG CYS A 33 -9.046 1.105 5.563 1.00 0.00 S ATOM 0 HA CYS A 33 -11.643 3.712 5.190 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.357 3.474 5.990 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.478 2.510 6.930 1.00 0.00 H new ATOM 0 HG CYS A 33 -8.133 0.933 6.472 1.00 0.00 H new ATOM 145 N LEU A 34 -10.565 2.013 2.675 1.00 0.00 N ATOM 146 CA LEU A 34 -10.032 2.086 1.326 1.00 0.00 C ATOM 147 C LEU A 34 -10.856 3.083 0.510 1.00 0.00 C ATOM 148 O LEU A 34 -10.474 3.449 -0.600 1.00 0.00 O ATOM 149 CB LEU A 34 -9.958 0.691 0.702 1.00 0.00 C ATOM 150 CG LEU A 34 -9.324 -0.399 1.568 1.00 0.00 C ATOM 151 CD1 LEU A 34 -8.878 -1.588 0.714 1.00 0.00 C ATOM 152 CD2 LEU A 34 -8.176 0.166 2.407 1.00 0.00 C ATOM 0 H LEU A 34 -10.988 1.117 2.918 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.007 2.457 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.969 0.378 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.395 0.761 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.080 -0.766 2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.431 -2.348 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.741 -2.010 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.144 -1.254 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.743 -0.629 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.412 0.577 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.555 0.953 3.059 1.00 0.00 H new ATOM 163 N GLU A 35 -11.974 3.493 1.091 1.00 0.00 N ATOM 164 CA GLU A 35 -12.856 4.441 0.432 1.00 0.00 C ATOM 165 C GLU A 35 -12.543 5.866 0.890 1.00 0.00 C ATOM 166 O GLU A 35 -13.382 6.758 0.773 1.00 0.00 O ATOM 167 CB GLU A 35 -14.325 4.093 0.688 1.00 0.00 C ATOM 168 CG GLU A 35 -14.575 2.596 0.495 1.00 0.00 C ATOM 169 CD GLU A 35 -15.934 2.348 -0.166 1.00 0.00 C ATOM 170 OE1 GLU A 35 -16.076 2.753 -1.339 1.00 0.00 O ATOM 171 OE2 GLU A 35 -16.798 1.760 0.519 1.00 0.00 O ATOM 0 H GLU A 35 -12.289 3.186 2.011 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.684 4.380 -0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.600 4.384 1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.961 4.662 0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.784 2.168 -0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.538 2.090 1.460 1.00 0.00 H new ATOM 176 N LYS A 36 -11.333 6.037 1.401 1.00 0.00 N ATOM 177 CA LYS A 36 -10.898 7.339 1.877 1.00 0.00 C ATOM 178 C LYS A 36 -10.225 8.098 0.731 1.00 0.00 C ATOM 179 O LYS A 36 -9.902 9.277 0.868 1.00 0.00 O ATOM 180 CB LYS A 36 -10.013 7.187 3.117 1.00 0.00 C ATOM 181 CG LYS A 36 -10.856 6.897 4.360 1.00 0.00 C ATOM 182 CD LYS A 36 -10.807 8.071 5.342 1.00 0.00 C ATOM 183 CE LYS A 36 -11.127 7.608 6.764 1.00 0.00 C ATOM 184 NZ LYS A 36 -11.204 8.768 7.681 1.00 0.00 N ATOM 0 H LYS A 36 -10.640 5.295 1.496 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.754 7.934 2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.298 6.379 2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.435 8.099 3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.888 6.706 4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.491 5.994 4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.818 8.529 5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.520 8.836 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.073 7.067 6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.360 6.915 7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.422 8.437 8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.292 9.268 7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.952 9.415 7.360 1.00 0.00 H new ATOM 194 N LYS A 37 -10.035 7.391 -0.373 1.00 0.00 N ATOM 195 CA LYS A 37 -9.409 7.983 -1.542 1.00 0.00 C ATOM 196 C LYS A 37 -8.064 8.593 -1.141 1.00 0.00 C ATOM 197 O LYS A 37 -7.737 8.658 0.043 1.00 0.00 O ATOM 198 CB LYS A 37 -10.358 8.978 -2.214 1.00 0.00 C ATOM 199 CG LYS A 37 -11.543 8.254 -2.857 1.00 0.00 C ATOM 200 CD LYS A 37 -12.839 8.538 -2.095 1.00 0.00 C ATOM 201 CE LYS A 37 -13.936 9.030 -3.042 1.00 0.00 C ATOM 202 NZ LYS A 37 -14.095 10.497 -2.932 1.00 0.00 N ATOM 0 H LYS A 37 -10.304 6.413 -0.482 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.204 7.218 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.721 9.695 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.819 9.546 -2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.649 8.573 -3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.353 7.181 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.172 7.633 -1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.655 9.287 -1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.686 8.761 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.879 8.537 -2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.843 10.815 -3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.354 10.746 -1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.199 10.963 -3.182 1.00 0.00 H new ATOM 212 N VAL A 38 -7.321 9.024 -2.150 1.00 0.00 N ATOM 213 CA VAL A 38 -6.019 9.626 -1.916 1.00 0.00 C ATOM 214 C VAL A 38 -5.711 10.616 -3.040 1.00 0.00 C ATOM 215 O VAL A 38 -6.623 11.110 -3.704 1.00 0.00 O ATOM 216 CB VAL A 38 -4.957 8.534 -1.773 1.00 0.00 C ATOM 217 CG1 VAL A 38 -5.366 7.504 -0.719 1.00 0.00 C ATOM 218 CG2 VAL A 38 -4.677 7.861 -3.119 1.00 0.00 C ATOM 0 H VAL A 38 -7.595 8.968 -3.131 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.019 10.186 -0.981 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.034 9.007 -1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.593 6.740 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.489 7.999 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.307 7.039 -1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.919 7.089 -2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.594 7.409 -3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.319 8.605 -3.830 1.00 0.00 H new ATOM 228 N ASP A 39 -4.425 10.878 -3.220 1.00 0.00 N ATOM 229 CA ASP A 39 -3.985 11.801 -4.253 1.00 0.00 C ATOM 230 C ASP A 39 -2.457 11.824 -4.293 1.00 0.00 C ATOM 231 O ASP A 39 -1.824 12.573 -3.548 1.00 0.00 O ATOM 232 CB ASP A 39 -4.474 13.221 -3.965 1.00 0.00 C ATOM 233 CG ASP A 39 -4.936 14.008 -5.194 1.00 0.00 C ATOM 234 OD1 ASP A 39 -4.398 13.723 -6.286 1.00 0.00 O ATOM 235 OD2 ASP A 39 -5.817 14.876 -5.014 1.00 0.00 O ATOM 0 H ASP A 39 -3.673 10.467 -2.667 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.396 11.465 -5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.299 13.168 -3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.670 13.774 -3.479 1.00 0.00 H new ATOM 239 N MET A 40 -1.906 10.997 -5.169 1.00 0.00 N ATOM 240 CA MET A 40 -0.463 10.914 -5.316 1.00 0.00 C ATOM 241 C MET A 40 0.123 12.261 -5.742 1.00 0.00 C ATOM 242 O MET A 40 1.289 12.548 -5.473 1.00 0.00 O ATOM 243 CB MET A 40 -0.116 9.852 -6.361 1.00 0.00 C ATOM 244 CG MET A 40 -0.703 8.492 -5.976 1.00 0.00 C ATOM 245 SD MET A 40 0.259 7.760 -4.663 1.00 0.00 S ATOM 246 CE MET A 40 -0.486 8.560 -3.251 1.00 0.00 C ATOM 0 H MET A 40 -2.433 10.378 -5.785 1.00 0.00 H new ATOM 0 HA MET A 40 -0.034 10.641 -4.352 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.500 10.156 -7.335 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.967 9.771 -6.457 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.738 8.611 -5.656 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.711 7.832 -6.843 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.186 9.330 -2.873 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.430 9.016 -3.548 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.669 7.822 -2.470 1.00 0.00 H new ATOM 254 N SER A 41 -0.712 13.052 -6.400 1.00 0.00 N ATOM 255 CA SER A 41 -0.290 14.362 -6.865 1.00 0.00 C ATOM 256 C SER A 41 -0.160 15.323 -5.681 1.00 0.00 C ATOM 257 O SER A 41 0.310 16.449 -5.839 1.00 0.00 O ATOM 258 CB SER A 41 -1.273 14.922 -7.897 1.00 0.00 C ATOM 259 OG SER A 41 -0.665 15.898 -8.739 1.00 0.00 O ATOM 0 H SER A 41 -1.678 12.811 -6.622 1.00 0.00 H new ATOM 0 HA SER A 41 0.682 14.257 -7.347 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.660 14.107 -8.508 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.125 15.367 -7.382 1.00 0.00 H new ATOM 0 HG SER A 41 -1.324 16.230 -9.384 1.00 0.00 H new ATOM 264 N LYS A 42 -0.584 14.842 -4.522 1.00 0.00 N ATOM 265 CA LYS A 42 -0.520 15.643 -3.311 1.00 0.00 C ATOM 266 C LYS A 42 0.417 14.969 -2.307 1.00 0.00 C ATOM 267 O LYS A 42 1.165 15.643 -1.601 1.00 0.00 O ATOM 268 CB LYS A 42 -1.926 15.900 -2.764 1.00 0.00 C ATOM 269 CG LYS A 42 -2.931 16.088 -3.903 1.00 0.00 C ATOM 270 CD LYS A 42 -2.675 17.399 -4.649 1.00 0.00 C ATOM 271 CE LYS A 42 -3.965 17.937 -5.269 1.00 0.00 C ATOM 272 NZ LYS A 42 -4.387 19.183 -4.589 1.00 0.00 N ATOM 0 H LYS A 42 -0.973 13.908 -4.395 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.102 16.626 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.234 15.064 -2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.917 16.788 -2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.860 15.251 -4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.945 16.085 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.262 18.138 -3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.931 17.238 -5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.812 18.129 -6.331 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.753 17.188 -5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.264 19.535 -5.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.552 18.989 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.641 19.901 -4.686 1.00 0.00 H new ATOM 282 N VAL A 43 0.345 13.646 -2.275 1.00 0.00 N ATOM 283 CA VAL A 43 1.177 12.873 -1.369 1.00 0.00 C ATOM 284 C VAL A 43 2.246 12.130 -2.174 1.00 0.00 C ATOM 285 O VAL A 43 2.033 11.801 -3.340 1.00 0.00 O ATOM 286 CB VAL A 43 0.305 11.938 -0.527 1.00 0.00 C ATOM 287 CG1 VAL A 43 -1.056 11.715 -1.188 1.00 0.00 C ATOM 288 CG2 VAL A 43 1.017 10.607 -0.273 1.00 0.00 C ATOM 0 H VAL A 43 -0.277 13.090 -2.862 1.00 0.00 H new ATOM 0 HA VAL A 43 1.694 13.530 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 43 0.134 12.416 0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.656 11.047 -0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.570 12.670 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.914 11.268 -2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.377 9.961 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.232 10.122 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.950 10.789 0.260 1.00 0.00 H new ATOM 298 N ASN A 44 3.373 11.888 -1.519 1.00 0.00 N ATOM 299 CA ASN A 44 4.475 11.191 -2.159 1.00 0.00 C ATOM 300 C ASN A 44 4.314 9.686 -1.942 1.00 0.00 C ATOM 301 O ASN A 44 4.200 9.227 -0.806 1.00 0.00 O ATOM 302 CB ASN A 44 5.817 11.615 -1.559 1.00 0.00 C ATOM 303 CG ASN A 44 6.402 12.810 -2.314 1.00 0.00 C ATOM 304 OD1 ASN A 44 5.802 13.355 -3.227 1.00 0.00 O ATOM 305 ND2 ASN A 44 7.603 13.186 -1.884 1.00 0.00 N ATOM 0 H ASN A 44 3.546 12.162 -0.552 1.00 0.00 H new ATOM 0 HA ASN A 44 4.461 11.438 -3.220 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.684 11.874 -0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.516 10.779 -1.596 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.078 13.974 -2.323 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.049 12.686 -1.115 1.00 0.00 H new ATOM 311 N LEU A 45 4.312 8.957 -3.049 1.00 0.00 N ATOM 312 CA LEU A 45 4.167 7.512 -2.993 1.00 0.00 C ATOM 313 C LEU A 45 5.551 6.870 -2.876 1.00 0.00 C ATOM 314 O LEU A 45 5.683 5.763 -2.356 1.00 0.00 O ATOM 315 CB LEU A 45 3.356 7.009 -4.189 1.00 0.00 C ATOM 316 CG LEU A 45 4.155 6.335 -5.306 1.00 0.00 C ATOM 317 CD1 LEU A 45 5.201 7.290 -5.886 1.00 0.00 C ATOM 318 CD2 LEU A 45 4.781 5.026 -4.819 1.00 0.00 C ATOM 0 H LEU A 45 4.408 9.340 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 45 3.603 7.219 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.610 6.302 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.814 7.853 -4.616 1.00 0.00 H new ATOM 0 HG LEU A 45 3.467 6.083 -6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.755 6.786 -6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.704 8.170 -6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.891 7.596 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.343 4.567 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.452 5.232 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.994 4.346 -4.493 1.00 0.00 H new ATOM 329 N GLU A 46 6.547 7.593 -3.365 1.00 0.00 N ATOM 330 CA GLU A 46 7.916 7.107 -3.320 1.00 0.00 C ATOM 331 C GLU A 46 8.336 6.834 -1.875 1.00 0.00 C ATOM 332 O GLU A 46 9.049 5.868 -1.604 1.00 0.00 O ATOM 333 CB GLU A 46 8.871 8.097 -3.990 1.00 0.00 C ATOM 334 CG GLU A 46 9.461 7.508 -5.273 1.00 0.00 C ATOM 335 CD GLU A 46 10.758 6.750 -4.982 1.00 0.00 C ATOM 336 OE1 GLU A 46 11.591 7.314 -4.240 1.00 0.00 O ATOM 337 OE2 GLU A 46 10.887 5.625 -5.510 1.00 0.00 O ATOM 0 H GLU A 46 6.434 8.511 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 46 7.966 6.170 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.340 9.021 -4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.675 8.355 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.738 6.835 -5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.655 8.307 -5.989 1.00 0.00 H new ATOM 342 N VAL A 47 7.875 7.699 -0.985 1.00 0.00 N ATOM 343 CA VAL A 47 8.193 7.563 0.426 1.00 0.00 C ATOM 344 C VAL A 47 7.467 6.342 0.994 1.00 0.00 C ATOM 345 O VAL A 47 7.680 5.966 2.145 1.00 0.00 O ATOM 346 CB VAL A 47 7.854 8.858 1.168 1.00 0.00 C ATOM 347 CG1 VAL A 47 8.790 9.992 0.745 1.00 0.00 C ATOM 348 CG2 VAL A 47 6.390 9.245 0.951 1.00 0.00 C ATOM 0 H VAL A 47 7.283 8.498 -1.214 1.00 0.00 H new ATOM 0 HA VAL A 47 9.262 7.398 0.561 1.00 0.00 H new ATOM 0 HB VAL A 47 8.000 8.683 2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.528 10.901 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.820 9.718 0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.690 10.166 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.174 10.168 1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.207 9.393 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.744 8.449 1.323 1.00 0.00 H new ATOM 358 N ILE A 48 6.621 5.755 0.157 1.00 0.00 N ATOM 359 CA ILE A 48 5.861 4.585 0.561 1.00 0.00 C ATOM 360 C ILE A 48 6.348 3.369 -0.231 1.00 0.00 C ATOM 361 O ILE A 48 5.936 2.242 0.039 1.00 0.00 O ATOM 362 CB ILE A 48 4.360 4.847 0.425 1.00 0.00 C ATOM 363 CG1 ILE A 48 4.072 6.347 0.330 1.00 0.00 C ATOM 364 CG2 ILE A 48 3.583 4.184 1.563 1.00 0.00 C ATOM 365 CD1 ILE A 48 4.273 7.029 1.685 1.00 0.00 C ATOM 0 H ILE A 48 6.446 6.069 -0.798 1.00 0.00 H new ATOM 0 HA ILE A 48 6.028 4.367 1.616 1.00 0.00 H new ATOM 0 HB ILE A 48 4.016 4.394 -0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.729 6.801 -0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.049 6.504 -0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.519 4.386 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.753 3.108 1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.923 4.586 2.518 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.062 8.094 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.597 6.589 2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.303 6.891 2.013 1.00 0.00 H new ATOM 376 N LYS A 49 7.217 3.639 -1.194 1.00 0.00 N ATOM 377 CA LYS A 49 7.764 2.581 -2.027 1.00 0.00 C ATOM 378 C LYS A 49 8.450 1.542 -1.138 1.00 0.00 C ATOM 379 O LYS A 49 8.220 0.342 -1.288 1.00 0.00 O ATOM 380 CB LYS A 49 8.676 3.167 -3.106 1.00 0.00 C ATOM 381 CG LYS A 49 8.203 2.762 -4.504 1.00 0.00 C ATOM 382 CD LYS A 49 6.684 2.905 -4.631 1.00 0.00 C ATOM 383 CE LYS A 49 6.004 1.535 -4.641 1.00 0.00 C ATOM 384 NZ LYS A 49 4.628 1.636 -4.106 1.00 0.00 N ATOM 0 H LYS A 49 7.556 4.575 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 49 6.967 2.066 -2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.690 4.254 -3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.698 2.822 -2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.694 3.384 -5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.493 1.731 -4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.300 3.499 -3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.441 3.442 -5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.977 1.143 -5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.582 0.831 -4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.235 0.682 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.647 2.130 -3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.034 2.167 -4.774 1.00 0.00 H new ATOM 394 N PRO A 50 9.302 2.053 -0.209 1.00 0.00 N ATOM 395 CA PRO A 50 10.023 1.182 0.703 1.00 0.00 C ATOM 396 C PRO A 50 9.097 0.644 1.796 1.00 0.00 C ATOM 397 O PRO A 50 9.328 -0.437 2.334 1.00 0.00 O ATOM 398 CB PRO A 50 11.154 2.037 1.251 1.00 0.00 C ATOM 399 CG PRO A 50 10.754 3.479 0.986 1.00 0.00 C ATOM 400 CD PRO A 50 9.599 3.466 -0.003 1.00 0.00 C ATOM 0 HA PRO A 50 10.416 0.292 0.212 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.295 1.861 2.317 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.097 1.797 0.761 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.458 3.970 1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.596 4.041 0.583 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.734 3.999 0.392 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.874 3.953 -0.939 1.00 0.00 H new ATOM 405 N TRP A 51 8.068 1.425 2.092 1.00 0.00 N ATOM 406 CA TRP A 51 7.106 1.041 3.111 1.00 0.00 C ATOM 407 C TRP A 51 6.240 -0.087 2.543 1.00 0.00 C ATOM 408 O TRP A 51 5.961 -1.066 3.233 1.00 0.00 O ATOM 409 CB TRP A 51 6.287 2.248 3.574 1.00 0.00 C ATOM 410 CG TRP A 51 5.365 1.956 4.760 1.00 0.00 C ATOM 411 CD1 TRP A 51 5.554 2.271 6.048 1.00 0.00 C ATOM 412 CD2 TRP A 51 4.094 1.274 4.713 1.00 0.00 C ATOM 413 NE1 TRP A 51 4.502 1.843 6.833 1.00 0.00 N ATOM 414 CE2 TRP A 51 3.586 1.218 5.995 1.00 0.00 C ATOM 415 CE3 TRP A 51 3.397 0.723 3.624 1.00 0.00 C ATOM 416 CZ2 TRP A 51 2.360 0.619 6.308 1.00 0.00 C ATOM 417 CZ3 TRP A 51 2.173 0.128 3.954 1.00 0.00 C ATOM 418 CH2 TRP A 51 1.647 0.064 5.239 1.00 0.00 C ATOM 0 H TRP A 51 7.880 2.322 1.644 1.00 0.00 H new ATOM 0 HA TRP A 51 7.614 0.674 4.003 1.00 0.00 H new ATOM 0 HB2 TRP A 51 6.969 3.054 3.847 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.686 2.608 2.739 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.420 2.794 6.425 1.00 0.00 H new ATOM 0 HE1 TRP A 51 4.413 1.963 7.842 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.775 0.756 2.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.984 0.587 7.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.597 -0.312 3.153 1.00 0.00 H new ATOM 0 HH2 TRP A 51 0.693 -0.412 5.412 1.00 0.00 H new ATOM 428 N ILE A 52 5.841 0.090 1.293 1.00 0.00 N ATOM 429 CA ILE A 52 5.013 -0.900 0.625 1.00 0.00 C ATOM 430 C ILE A 52 5.864 -2.127 0.288 1.00 0.00 C ATOM 431 O ILE A 52 5.499 -3.251 0.622 1.00 0.00 O ATOM 432 CB ILE A 52 4.314 -0.284 -0.588 1.00 0.00 C ATOM 433 CG1 ILE A 52 2.956 0.303 -0.199 1.00 0.00 C ATOM 434 CG2 ILE A 52 4.193 -1.300 -1.726 1.00 0.00 C ATOM 435 CD1 ILE A 52 2.837 1.759 -0.656 1.00 0.00 C ATOM 0 H ILE A 52 6.075 0.904 0.725 1.00 0.00 H new ATOM 0 HA ILE A 52 4.215 -1.237 1.286 1.00 0.00 H new ATOM 0 HB ILE A 52 4.928 0.539 -0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.158 -0.289 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.827 0.246 0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.692 -0.836 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.187 -1.630 -2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.613 -2.158 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.862 2.153 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.622 2.353 -0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.942 1.810 -1.740 1.00 0.00 H new ATOM 446 N THR A 53 6.984 -1.866 -0.371 1.00 0.00 N ATOM 447 CA THR A 53 7.890 -2.934 -0.758 1.00 0.00 C ATOM 448 C THR A 53 8.326 -3.735 0.471 1.00 0.00 C ATOM 449 O THR A 53 8.418 -4.961 0.417 1.00 0.00 O ATOM 450 CB THR A 53 9.059 -2.309 -1.522 1.00 0.00 C ATOM 451 OG1 THR A 53 8.442 -1.660 -2.630 1.00 0.00 O ATOM 452 CG2 THR A 53 9.968 -3.360 -2.164 1.00 0.00 C ATOM 0 H THR A 53 7.284 -0.931 -0.646 1.00 0.00 H new ATOM 0 HA THR A 53 7.399 -3.650 -1.416 1.00 0.00 H new ATOM 0 HB THR A 53 9.645 -1.688 -0.844 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.411 -0.694 -2.468 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.781 -2.863 -2.693 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.381 -4.006 -1.389 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.390 -3.960 -2.867 1.00 0.00 H new ATOM 460 N LYS A 54 8.581 -3.010 1.549 1.00 0.00 N ATOM 461 CA LYS A 54 9.005 -3.637 2.790 1.00 0.00 C ATOM 462 C LYS A 54 7.817 -4.368 3.419 1.00 0.00 C ATOM 463 O LYS A 54 7.972 -5.461 3.961 1.00 0.00 O ATOM 464 CB LYS A 54 9.655 -2.608 3.717 1.00 0.00 C ATOM 465 CG LYS A 54 10.176 -3.271 4.993 1.00 0.00 C ATOM 466 CD LYS A 54 9.968 -2.363 6.207 1.00 0.00 C ATOM 467 CE LYS A 54 10.966 -2.695 7.318 1.00 0.00 C ATOM 468 NZ LYS A 54 12.065 -1.704 7.341 1.00 0.00 N ATOM 0 H LYS A 54 8.502 -1.994 1.590 1.00 0.00 H new ATOM 0 HA LYS A 54 9.773 -4.385 2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.476 -2.114 3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.930 -1.836 3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.661 -4.219 5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.236 -3.499 4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.083 -1.321 5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.951 -2.478 6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.457 -2.704 8.282 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.373 -3.694 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.733 -1.944 8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.561 -1.715 6.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.674 -0.756 7.511 1.00 0.00 H new ATOM 478 N ARG A 55 6.657 -3.734 3.324 1.00 0.00 N ATOM 479 CA ARG A 55 5.443 -4.309 3.878 1.00 0.00 C ATOM 480 C ARG A 55 5.111 -5.626 3.173 1.00 0.00 C ATOM 481 O ARG A 55 4.864 -6.639 3.826 1.00 0.00 O ATOM 482 CB ARG A 55 4.261 -3.349 3.732 1.00 0.00 C ATOM 483 CG ARG A 55 4.080 -2.505 4.995 1.00 0.00 C ATOM 484 CD ARG A 55 3.753 -3.387 6.201 1.00 0.00 C ATOM 485 NE ARG A 55 4.553 -2.963 7.371 1.00 0.00 N ATOM 486 CZ ARG A 55 4.439 -3.501 8.594 1.00 0.00 C ATOM 487 NH1 ARG A 55 3.559 -4.486 8.813 1.00 0.00 N ATOM 488 NH2 ARG A 55 5.207 -3.053 9.597 1.00 0.00 N ATOM 0 H ARG A 55 6.532 -2.828 2.872 1.00 0.00 H new ATOM 0 HA ARG A 55 5.617 -4.493 4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.422 -2.696 2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.351 -3.915 3.535 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.990 -1.937 5.191 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.280 -1.781 4.842 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.690 -3.320 6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.962 -4.431 5.966 1.00 0.00 H new ATOM 0 HE ARG A 55 5.234 -2.215 7.239 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.975 -4.827 8.049 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.472 -4.895 9.743 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.878 -2.303 9.430 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.121 -3.462 10.527 1.00 0.00 H new ATOM 499 N VAL A 56 5.116 -5.569 1.849 1.00 0.00 N ATOM 500 CA VAL A 56 4.819 -6.745 1.048 1.00 0.00 C ATOM 501 C VAL A 56 5.860 -7.829 1.335 1.00 0.00 C ATOM 502 O VAL A 56 5.513 -8.994 1.525 1.00 0.00 O ATOM 503 CB VAL A 56 4.743 -6.365 -0.432 1.00 0.00 C ATOM 504 CG1 VAL A 56 3.648 -5.325 -0.675 1.00 0.00 C ATOM 505 CG2 VAL A 56 6.097 -5.865 -0.939 1.00 0.00 C ATOM 0 H VAL A 56 5.321 -4.727 1.311 1.00 0.00 H new ATOM 0 HA VAL A 56 3.844 -7.152 1.315 1.00 0.00 H new ATOM 0 HB VAL A 56 4.484 -7.261 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.615 -5.072 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.685 -5.733 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.863 -4.428 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.016 -5.601 -1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.398 -4.987 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.843 -6.650 -0.818 1.00 0.00 H new ATOM 515 N THR A 57 7.116 -7.407 1.356 1.00 0.00 N ATOM 516 CA THR A 57 8.210 -8.327 1.618 1.00 0.00 C ATOM 517 C THR A 57 8.050 -8.970 2.996 1.00 0.00 C ATOM 518 O THR A 57 8.277 -10.169 3.156 1.00 0.00 O ATOM 519 CB THR A 57 9.522 -7.559 1.454 1.00 0.00 C ATOM 520 OG1 THR A 57 9.503 -7.122 0.098 1.00 0.00 O ATOM 521 CG2 THR A 57 10.748 -8.471 1.534 1.00 0.00 C ATOM 0 H THR A 57 7.400 -6.441 1.196 1.00 0.00 H new ATOM 0 HA THR A 57 8.209 -9.154 0.908 1.00 0.00 H new ATOM 0 HB THR A 57 9.590 -6.790 2.224 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.422 -6.146 0.070 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.653 -7.876 1.411 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.769 -8.968 2.504 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.697 -9.220 0.744 1.00 0.00 H new ATOM 529 N GLU A 58 7.659 -8.145 3.957 1.00 0.00 N ATOM 530 CA GLU A 58 7.465 -8.619 5.316 1.00 0.00 C ATOM 531 C GLU A 58 6.190 -9.457 5.410 1.00 0.00 C ATOM 532 O GLU A 58 6.096 -10.362 6.239 1.00 0.00 O ATOM 533 CB GLU A 58 7.428 -7.450 6.304 1.00 0.00 C ATOM 534 CG GLU A 58 8.842 -7.001 6.676 1.00 0.00 C ATOM 535 CD GLU A 58 8.918 -6.595 8.149 1.00 0.00 C ATOM 536 OE1 GLU A 58 7.899 -6.068 8.646 1.00 0.00 O ATOM 537 OE2 GLU A 58 9.993 -6.820 8.745 1.00 0.00 O ATOM 0 H GLU A 58 7.472 -7.152 3.821 1.00 0.00 H new ATOM 0 HA GLU A 58 8.311 -9.252 5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.881 -6.615 5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.888 -7.746 7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.547 -7.809 6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.138 -6.161 6.048 1.00 0.00 H new ATOM 542 N ILE A 59 5.238 -9.127 4.549 1.00 0.00 N ATOM 543 CA ILE A 59 3.971 -9.838 4.525 1.00 0.00 C ATOM 544 C ILE A 59 4.233 -11.330 4.308 1.00 0.00 C ATOM 545 O ILE A 59 3.684 -12.170 5.019 1.00 0.00 O ATOM 546 CB ILE A 59 3.031 -9.222 3.487 1.00 0.00 C ATOM 547 CG1 ILE A 59 2.347 -7.971 4.042 1.00 0.00 C ATOM 548 CG2 ILE A 59 2.018 -10.253 2.984 1.00 0.00 C ATOM 549 CD1 ILE A 59 1.900 -7.043 2.910 1.00 0.00 C ATOM 0 H ILE A 59 5.319 -8.377 3.863 1.00 0.00 H new ATOM 0 HA ILE A 59 3.460 -9.739 5.483 1.00 0.00 H new ATOM 0 HB ILE A 59 3.627 -8.910 2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.484 -8.260 4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.032 -7.440 4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.362 -9.789 2.247 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.547 -11.088 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.423 -10.617 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.417 -6.162 3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.768 -6.737 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.196 -7.569 2.265 1.00 0.00 H new ATOM 560 N LEU A 60 5.072 -11.614 3.323 1.00 0.00 N ATOM 561 CA LEU A 60 5.414 -12.990 3.003 1.00 0.00 C ATOM 562 C LEU A 60 6.779 -13.325 3.606 1.00 0.00 C ATOM 563 O LEU A 60 6.944 -14.368 4.238 1.00 0.00 O ATOM 564 CB LEU A 60 5.333 -13.225 1.494 1.00 0.00 C ATOM 565 CG LEU A 60 4.966 -12.007 0.644 1.00 0.00 C ATOM 566 CD1 LEU A 60 6.217 -11.235 0.221 1.00 0.00 C ATOM 567 CD2 LEU A 60 4.111 -12.416 -0.558 1.00 0.00 C ATOM 0 H LEU A 60 5.526 -10.914 2.735 1.00 0.00 H new ATOM 0 HA LEU A 60 4.692 -13.675 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.296 -13.604 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.598 -14.008 1.307 1.00 0.00 H new ATOM 0 HG LEU A 60 4.364 -11.334 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.927 -10.374 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.751 -10.893 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.866 -11.886 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.864 -11.532 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.667 -13.120 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.193 -12.888 -0.208 1.00 0.00 H new ATOM 578 N GLY A 61 7.724 -12.421 3.390 1.00 0.00 N ATOM 579 CA GLY A 61 9.070 -12.608 3.904 1.00 0.00 C ATOM 580 C GLY A 61 10.110 -12.436 2.795 1.00 0.00 C ATOM 581 O GLY A 61 11.309 -12.385 3.065 1.00 0.00 O ATOM 0 H GLY A 61 7.584 -11.557 2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.261 -11.890 4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.161 -13.602 4.342 1.00 0.00 H new ATOM 585 N PHE A 62 9.612 -12.350 1.570 1.00 0.00 N ATOM 586 CA PHE A 62 10.483 -12.184 0.419 1.00 0.00 C ATOM 587 C PHE A 62 10.021 -11.014 -0.454 1.00 0.00 C ATOM 588 O PHE A 62 8.838 -10.682 -0.477 1.00 0.00 O ATOM 589 CB PHE A 62 10.399 -13.476 -0.395 1.00 0.00 C ATOM 590 CG PHE A 62 8.981 -14.034 -0.533 1.00 0.00 C ATOM 591 CD1 PHE A 62 8.157 -13.563 -1.507 1.00 0.00 C ATOM 592 CD2 PHE A 62 8.544 -15.001 0.317 1.00 0.00 C ATOM 593 CE1 PHE A 62 6.840 -14.080 -1.636 1.00 0.00 C ATOM 594 CE2 PHE A 62 7.228 -15.518 0.189 1.00 0.00 C ATOM 595 CZ PHE A 62 6.404 -15.047 -0.785 1.00 0.00 C ATOM 0 H PHE A 62 8.617 -12.392 1.350 1.00 0.00 H new ATOM 0 HA PHE A 62 11.501 -11.976 0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.805 -13.293 -1.390 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.031 -14.230 0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.504 -12.795 -2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.198 -15.376 1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.186 -13.705 -2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.881 -16.285 0.865 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.403 -15.441 -0.883 1.00 0.00 H new ATOM 604 N GLU A 63 10.981 -10.424 -1.151 1.00 0.00 N ATOM 605 CA GLU A 63 10.688 -9.299 -2.023 1.00 0.00 C ATOM 606 C GLU A 63 9.877 -9.763 -3.234 1.00 0.00 C ATOM 607 O GLU A 63 10.394 -10.470 -4.099 1.00 0.00 O ATOM 608 CB GLU A 63 11.974 -8.596 -2.461 1.00 0.00 C ATOM 609 CG GLU A 63 11.661 -7.323 -3.251 1.00 0.00 C ATOM 610 CD GLU A 63 12.360 -7.336 -4.613 1.00 0.00 C ATOM 611 OE1 GLU A 63 12.271 -8.387 -5.285 1.00 0.00 O ATOM 612 OE2 GLU A 63 12.967 -6.297 -4.949 1.00 0.00 O ATOM 0 H GLU A 63 11.962 -10.704 -1.130 1.00 0.00 H new ATOM 0 HA GLU A 63 10.090 -8.578 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.573 -8.347 -1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.571 -9.271 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.584 -7.234 -3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.981 -6.450 -2.682 1.00 0.00 H new ATOM 617 N ASP A 64 8.619 -9.348 -3.258 1.00 0.00 N ATOM 618 CA ASP A 64 7.731 -9.713 -4.349 1.00 0.00 C ATOM 619 C ASP A 64 8.128 -8.935 -5.606 1.00 0.00 C ATOM 620 O ASP A 64 9.287 -8.556 -5.764 1.00 0.00 O ATOM 621 CB ASP A 64 6.279 -9.364 -4.017 1.00 0.00 C ATOM 622 CG ASP A 64 5.887 -9.555 -2.550 1.00 0.00 C ATOM 623 OD1 ASP A 64 6.367 -8.749 -1.725 1.00 0.00 O ATOM 624 OD2 ASP A 64 5.116 -10.503 -2.288 1.00 0.00 O ATOM 0 H ASP A 64 8.193 -8.762 -2.539 1.00 0.00 H new ATOM 0 HA ASP A 64 7.817 -10.788 -4.508 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.099 -8.325 -4.293 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.623 -9.977 -4.635 1.00 0.00 H new ATOM 628 N ASP A 65 7.144 -8.722 -6.467 1.00 0.00 N ATOM 629 CA ASP A 65 7.376 -7.997 -7.704 1.00 0.00 C ATOM 630 C ASP A 65 6.033 -7.684 -8.367 1.00 0.00 C ATOM 631 O ASP A 65 5.812 -6.568 -8.833 1.00 0.00 O ATOM 632 CB ASP A 65 8.205 -8.830 -8.683 1.00 0.00 C ATOM 633 CG ASP A 65 9.624 -8.316 -8.932 1.00 0.00 C ATOM 634 OD1 ASP A 65 9.771 -7.078 -9.025 1.00 0.00 O ATOM 635 OD2 ASP A 65 10.530 -9.172 -9.022 1.00 0.00 O ATOM 0 H ASP A 65 6.184 -9.039 -6.332 1.00 0.00 H new ATOM 0 HA ASP A 65 7.916 -7.082 -7.462 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.266 -9.851 -8.306 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.678 -8.873 -9.636 1.00 0.00 H new ATOM 639 N VAL A 66 5.171 -8.690 -8.387 1.00 0.00 N ATOM 640 CA VAL A 66 3.856 -8.537 -8.985 1.00 0.00 C ATOM 641 C VAL A 66 2.987 -7.663 -8.079 1.00 0.00 C ATOM 642 O VAL A 66 2.234 -6.819 -8.560 1.00 0.00 O ATOM 643 CB VAL A 66 3.242 -9.911 -9.257 1.00 0.00 C ATOM 644 CG1 VAL A 66 2.247 -10.295 -8.159 1.00 0.00 C ATOM 645 CG2 VAL A 66 2.579 -9.952 -10.636 1.00 0.00 C ATOM 0 H VAL A 66 5.358 -9.614 -7.998 1.00 0.00 H new ATOM 0 HA VAL A 66 3.931 -8.033 -9.948 1.00 0.00 H new ATOM 0 HB VAL A 66 4.048 -10.645 -9.250 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.825 -11.276 -8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.760 -10.326 -7.198 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.446 -9.557 -8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.150 -10.940 -10.804 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.790 -9.201 -10.683 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.324 -9.744 -11.404 1.00 0.00 H new ATOM 655 N VAL A 67 3.121 -7.895 -6.781 1.00 0.00 N ATOM 656 CA VAL A 67 2.358 -7.140 -5.802 1.00 0.00 C ATOM 657 C VAL A 67 2.892 -5.707 -5.741 1.00 0.00 C ATOM 658 O VAL A 67 2.117 -4.753 -5.694 1.00 0.00 O ATOM 659 CB VAL A 67 2.395 -7.849 -4.448 1.00 0.00 C ATOM 660 CG1 VAL A 67 2.555 -9.361 -4.625 1.00 0.00 C ATOM 661 CG2 VAL A 67 3.506 -7.281 -3.561 1.00 0.00 C ATOM 0 H VAL A 67 3.747 -8.596 -6.385 1.00 0.00 H new ATOM 0 HA VAL A 67 1.310 -7.085 -6.096 1.00 0.00 H new ATOM 0 HB VAL A 67 1.443 -7.668 -3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.578 -9.841 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.715 -9.751 -5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.485 -9.569 -5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.510 -7.803 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.469 -7.417 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.331 -6.218 -3.394 1.00 0.00 H new ATOM 671 N ILE A 68 4.213 -5.601 -5.745 1.00 0.00 N ATOM 672 CA ILE A 68 4.860 -4.301 -5.690 1.00 0.00 C ATOM 673 C ILE A 68 4.460 -3.485 -6.921 1.00 0.00 C ATOM 674 O ILE A 68 4.047 -2.333 -6.800 1.00 0.00 O ATOM 675 CB ILE A 68 6.373 -4.461 -5.523 1.00 0.00 C ATOM 676 CG1 ILE A 68 6.704 -5.221 -4.237 1.00 0.00 C ATOM 677 CG2 ILE A 68 7.077 -3.106 -5.587 1.00 0.00 C ATOM 678 CD1 ILE A 68 7.994 -6.029 -4.395 1.00 0.00 C ATOM 0 H ILE A 68 4.853 -6.394 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 68 4.524 -3.745 -4.815 1.00 0.00 H new ATOM 0 HB ILE A 68 6.749 -5.057 -6.355 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.810 -4.517 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.881 -5.889 -3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.151 -3.248 -5.466 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.879 -2.639 -6.552 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.703 -2.464 -4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.207 -6.560 -3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.876 -6.748 -5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.819 -5.355 -4.625 1.00 0.00 H new ATOM 689 N GLU A 69 4.597 -4.115 -8.079 1.00 0.00 N ATOM 690 CA GLU A 69 4.255 -3.462 -9.331 1.00 0.00 C ATOM 691 C GLU A 69 2.815 -2.949 -9.286 1.00 0.00 C ATOM 692 O GLU A 69 2.532 -1.841 -9.741 1.00 0.00 O ATOM 693 CB GLU A 69 4.464 -4.406 -10.517 1.00 0.00 C ATOM 694 CG GLU A 69 5.753 -4.066 -11.269 1.00 0.00 C ATOM 695 CD GLU A 69 5.523 -4.066 -12.780 1.00 0.00 C ATOM 696 OE1 GLU A 69 4.412 -3.658 -13.185 1.00 0.00 O ATOM 697 OE2 GLU A 69 6.460 -4.476 -13.498 1.00 0.00 O ATOM 0 H GLU A 69 4.940 -5.071 -8.176 1.00 0.00 H new ATOM 0 HA GLU A 69 4.920 -2.609 -9.466 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.506 -5.436 -10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.614 -4.337 -11.196 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.115 -3.088 -10.953 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.528 -4.790 -11.016 1.00 0.00 H new ATOM 702 N PHE A 70 1.942 -3.779 -8.734 1.00 0.00 N ATOM 703 CA PHE A 70 0.538 -3.423 -8.625 1.00 0.00 C ATOM 704 C PHE A 70 0.361 -2.119 -7.842 1.00 0.00 C ATOM 705 O PHE A 70 -0.374 -1.230 -8.267 1.00 0.00 O ATOM 706 CB PHE A 70 -0.154 -4.557 -7.864 1.00 0.00 C ATOM 707 CG PHE A 70 -0.797 -5.609 -8.769 1.00 0.00 C ATOM 708 CD1 PHE A 70 -1.517 -5.224 -9.857 1.00 0.00 C ATOM 709 CD2 PHE A 70 -0.651 -6.932 -8.485 1.00 0.00 C ATOM 710 CE1 PHE A 70 -2.115 -6.200 -10.696 1.00 0.00 C ATOM 711 CE2 PHE A 70 -1.248 -7.909 -9.323 1.00 0.00 C ATOM 712 CZ PHE A 70 -1.967 -7.523 -10.412 1.00 0.00 C ATOM 0 H PHE A 70 2.180 -4.697 -8.358 1.00 0.00 H new ATOM 0 HA PHE A 70 0.113 -3.280 -9.619 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.575 -5.045 -7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.921 -4.132 -7.216 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.634 -4.174 -10.083 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.080 -7.238 -7.621 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.687 -5.893 -11.559 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.132 -8.959 -9.097 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.420 -8.266 -11.051 1.00 0.00 H new ATOM 721 N ILE A 71 1.051 -2.047 -6.713 1.00 0.00 N ATOM 722 CA ILE A 71 0.979 -0.868 -5.867 1.00 0.00 C ATOM 723 C ILE A 71 1.740 0.279 -6.535 1.00 0.00 C ATOM 724 O ILE A 71 1.271 1.417 -6.547 1.00 0.00 O ATOM 725 CB ILE A 71 1.470 -1.191 -4.454 1.00 0.00 C ATOM 726 CG1 ILE A 71 0.701 -2.374 -3.864 1.00 0.00 C ATOM 727 CG2 ILE A 71 1.402 0.044 -3.554 1.00 0.00 C ATOM 728 CD1 ILE A 71 1.655 -3.496 -3.447 1.00 0.00 C ATOM 0 H ILE A 71 1.662 -2.786 -6.365 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.055 -0.543 -5.753 1.00 0.00 H new ATOM 0 HB ILE A 71 2.517 -1.486 -4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.124 -2.043 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.011 -2.751 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.756 -0.213 -2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.029 0.832 -3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.372 0.394 -3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.082 -4.325 -3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.213 -3.841 -4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.350 -3.122 -2.695 1.00 0.00 H new ATOM 739 N PHE A 72 2.902 -0.059 -7.075 1.00 0.00 N ATOM 740 CA PHE A 72 3.732 0.929 -7.743 1.00 0.00 C ATOM 741 C PHE A 72 3.027 1.493 -8.979 1.00 0.00 C ATOM 742 O PHE A 72 2.964 2.707 -9.162 1.00 0.00 O ATOM 743 CB PHE A 72 5.012 0.215 -8.181 1.00 0.00 C ATOM 744 CG PHE A 72 6.284 1.045 -7.995 1.00 0.00 C ATOM 745 CD1 PHE A 72 6.258 2.388 -8.215 1.00 0.00 C ATOM 746 CD2 PHE A 72 7.440 0.442 -7.610 1.00 0.00 C ATOM 747 CE1 PHE A 72 7.437 3.158 -8.043 1.00 0.00 C ATOM 748 CE2 PHE A 72 8.620 1.213 -7.437 1.00 0.00 C ATOM 749 CZ PHE A 72 8.594 2.555 -7.658 1.00 0.00 C ATOM 0 H PHE A 72 3.288 -1.003 -7.063 1.00 0.00 H new ATOM 0 HA PHE A 72 3.940 1.758 -7.067 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.110 -0.712 -7.616 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.921 -0.060 -9.232 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.340 2.867 -8.521 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.461 -0.624 -7.436 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.416 4.224 -8.218 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.538 0.734 -7.130 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.492 3.141 -7.528 1.00 0.00 H new ATOM 758 N ASN A 73 2.516 0.582 -9.794 1.00 0.00 N ATOM 759 CA ASN A 73 1.818 0.973 -11.007 1.00 0.00 C ATOM 760 C ASN A 73 0.555 1.752 -10.637 1.00 0.00 C ATOM 761 O ASN A 73 0.202 2.723 -11.304 1.00 0.00 O ATOM 762 CB ASN A 73 1.395 -0.254 -11.819 1.00 0.00 C ATOM 763 CG ASN A 73 2.552 -0.768 -12.678 1.00 0.00 C ATOM 764 OD1 ASN A 73 2.578 -0.611 -13.888 1.00 0.00 O ATOM 765 ND2 ASN A 73 3.503 -1.389 -11.987 1.00 0.00 N ATOM 0 H ASN A 73 2.571 -0.425 -9.639 1.00 0.00 H new ATOM 0 HA ASN A 73 2.496 1.585 -11.602 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.059 -1.042 -11.145 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.549 0.002 -12.457 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.318 -1.769 -12.469 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.418 -1.485 -10.975 1.00 0.00 H new ATOM 771 N GLN A 74 -0.091 1.298 -9.572 1.00 0.00 N ATOM 772 CA GLN A 74 -1.307 1.941 -9.104 1.00 0.00 C ATOM 773 C GLN A 74 -0.976 3.271 -8.424 1.00 0.00 C ATOM 774 O GLN A 74 -1.712 4.245 -8.570 1.00 0.00 O ATOM 775 CB GLN A 74 -2.084 1.021 -8.161 1.00 0.00 C ATOM 776 CG GLN A 74 -2.903 -0.006 -8.947 1.00 0.00 C ATOM 777 CD GLN A 74 -2.125 -0.513 -10.163 1.00 0.00 C ATOM 778 OE1 GLN A 74 -1.770 0.235 -11.060 1.00 0.00 O ATOM 779 NE2 GLN A 74 -1.881 -1.819 -10.143 1.00 0.00 N ATOM 0 H GLN A 74 0.205 0.493 -9.020 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.943 2.145 -9.966 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.390 0.506 -7.496 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.747 1.615 -7.532 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.159 -0.844 -8.299 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.841 0.444 -9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.207 -2.387 -9.361 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.368 -2.254 -10.910 1.00 0.00 H new ATOM 786 N LEU A 75 0.131 3.266 -7.695 1.00 0.00 N ATOM 787 CA LEU A 75 0.567 4.461 -6.992 1.00 0.00 C ATOM 788 C LEU A 75 1.267 5.400 -7.977 1.00 0.00 C ATOM 789 O LEU A 75 1.667 6.504 -7.610 1.00 0.00 O ATOM 790 CB LEU A 75 1.426 4.087 -5.783 1.00 0.00 C ATOM 791 CG LEU A 75 0.681 3.476 -4.594 1.00 0.00 C ATOM 792 CD1 LEU A 75 1.584 3.399 -3.362 1.00 0.00 C ATOM 793 CD2 LEU A 75 -0.615 4.237 -4.309 1.00 0.00 C ATOM 0 H LEU A 75 0.738 2.455 -7.576 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.290 5.001 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.190 3.381 -6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.945 4.982 -5.440 1.00 0.00 H new ATOM 0 HG LEU A 75 0.403 2.454 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.030 2.961 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.453 2.779 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.914 4.401 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.125 3.782 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.383 5.277 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.262 4.195 -5.185 1.00 0.00 H new ATOM 804 N GLU A 76 1.395 4.927 -9.208 1.00 0.00 N ATOM 805 CA GLU A 76 2.040 5.710 -10.247 1.00 0.00 C ATOM 806 C GLU A 76 1.046 6.698 -10.862 1.00 0.00 C ATOM 807 O GLU A 76 1.425 7.539 -11.675 1.00 0.00 O ATOM 808 CB GLU A 76 2.646 4.802 -11.321 1.00 0.00 C ATOM 809 CG GLU A 76 4.088 4.428 -10.973 1.00 0.00 C ATOM 810 CD GLU A 76 5.055 4.901 -12.061 1.00 0.00 C ATOM 811 OE1 GLU A 76 5.270 4.115 -13.008 1.00 0.00 O ATOM 812 OE2 GLU A 76 5.557 6.037 -11.919 1.00 0.00 O ATOM 0 H GLU A 76 1.063 4.011 -9.509 1.00 0.00 H new ATOM 0 HA GLU A 76 2.854 6.277 -9.795 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.045 3.898 -11.419 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.621 5.308 -12.286 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.363 4.875 -10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.169 3.347 -10.854 1.00 0.00 H new ATOM 817 N VAL A 77 -0.206 6.561 -10.449 1.00 0.00 N ATOM 818 CA VAL A 77 -1.257 7.432 -10.948 1.00 0.00 C ATOM 819 C VAL A 77 -1.526 8.537 -9.926 1.00 0.00 C ATOM 820 O VAL A 77 -0.801 8.667 -8.940 1.00 0.00 O ATOM 821 CB VAL A 77 -2.502 6.610 -11.282 1.00 0.00 C ATOM 822 CG1 VAL A 77 -2.137 5.367 -12.095 1.00 0.00 C ATOM 823 CG2 VAL A 77 -3.265 6.230 -10.011 1.00 0.00 C ATOM 0 H VAL A 77 -0.516 5.861 -9.775 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.945 7.915 -11.874 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.158 7.229 -11.894 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.041 4.800 -12.319 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.658 5.669 -13.026 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.452 4.744 -11.520 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.146 5.646 -10.277 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.619 5.638 -9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.574 7.135 -9.488 1.00 0.00 H new ATOM 833 N LYS A 78 -2.571 9.306 -10.195 1.00 0.00 N ATOM 834 CA LYS A 78 -2.946 10.396 -9.310 1.00 0.00 C ATOM 835 C LYS A 78 -4.126 9.960 -8.440 1.00 0.00 C ATOM 836 O LYS A 78 -4.387 10.555 -7.397 1.00 0.00 O ATOM 837 CB LYS A 78 -3.213 11.672 -10.113 1.00 0.00 C ATOM 838 CG LYS A 78 -1.972 12.091 -10.904 1.00 0.00 C ATOM 839 CD LYS A 78 -1.971 11.460 -12.298 1.00 0.00 C ATOM 840 CE LYS A 78 -0.544 11.290 -12.822 1.00 0.00 C ATOM 841 NZ LYS A 78 -0.476 11.630 -14.261 1.00 0.00 N ATOM 0 H LYS A 78 -3.170 9.196 -11.013 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.124 10.637 -8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.046 11.508 -10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.507 12.476 -9.438 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.942 13.177 -10.993 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.074 11.791 -10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.467 10.490 -12.262 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.542 12.085 -12.984 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.135 11.930 -12.259 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.214 10.262 -12.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.500 11.509 -14.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.109 11.002 -14.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.771 12.618 -14.399 1.00 0.00 H new ATOM 851 N ASN A 79 -4.807 8.921 -8.902 1.00 0.00 N ATOM 852 CA ASN A 79 -5.953 8.397 -8.179 1.00 0.00 C ATOM 853 C ASN A 79 -5.949 6.869 -8.263 1.00 0.00 C ATOM 854 O ASN A 79 -6.550 6.292 -9.167 1.00 0.00 O ATOM 855 CB ASN A 79 -7.265 8.900 -8.786 1.00 0.00 C ATOM 856 CG ASN A 79 -8.003 9.820 -7.812 1.00 0.00 C ATOM 857 OD1 ASN A 79 -9.185 9.668 -7.548 1.00 0.00 O ATOM 858 ND2 ASN A 79 -7.243 10.780 -7.294 1.00 0.00 N ATOM 0 H ASN A 79 -4.587 8.428 -9.768 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.881 8.734 -7.145 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.059 9.436 -9.713 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.900 8.052 -9.042 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.643 11.446 -6.633 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.260 10.851 -7.558 1.00 0.00 H new ATOM 864 N PRO A 80 -5.246 6.242 -7.282 1.00 0.00 N ATOM 865 CA PRO A 80 -5.155 4.792 -7.237 1.00 0.00 C ATOM 866 C PRO A 80 -6.464 4.176 -6.740 1.00 0.00 C ATOM 867 O PRO A 80 -7.221 4.820 -6.013 1.00 0.00 O ATOM 868 CB PRO A 80 -3.976 4.501 -6.322 1.00 0.00 C ATOM 869 CG PRO A 80 -3.743 5.773 -5.523 1.00 0.00 C ATOM 870 CD PRO A 80 -4.521 6.894 -6.195 1.00 0.00 C ATOM 0 HA PRO A 80 -4.998 4.349 -8.220 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.192 3.660 -5.663 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.090 4.235 -6.899 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.074 5.643 -4.493 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.680 6.013 -5.488 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.205 7.376 -5.496 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.853 7.668 -6.573 1.00 0.00 H new ATOM 875 N ASP A 81 -6.692 2.938 -7.151 1.00 0.00 N ATOM 876 CA ASP A 81 -7.896 2.228 -6.757 1.00 0.00 C ATOM 877 C ASP A 81 -7.549 1.203 -5.675 1.00 0.00 C ATOM 878 O ASP A 81 -7.284 0.041 -5.978 1.00 0.00 O ATOM 879 CB ASP A 81 -8.505 1.475 -7.942 1.00 0.00 C ATOM 880 CG ASP A 81 -9.813 0.740 -7.639 1.00 0.00 C ATOM 881 OD1 ASP A 81 -10.571 1.257 -6.790 1.00 0.00 O ATOM 882 OD2 ASP A 81 -10.024 -0.322 -8.262 1.00 0.00 O ATOM 0 H ASP A 81 -6.063 2.408 -7.754 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.613 2.961 -6.388 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.683 2.184 -8.751 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.776 0.752 -8.307 1.00 0.00 H new ATOM 886 N SER A 82 -7.561 1.672 -4.435 1.00 0.00 N ATOM 887 CA SER A 82 -7.250 0.812 -3.307 1.00 0.00 C ATOM 888 C SER A 82 -7.971 -0.530 -3.458 1.00 0.00 C ATOM 889 O SER A 82 -7.520 -1.544 -2.926 1.00 0.00 O ATOM 890 CB SER A 82 -7.638 1.476 -1.984 1.00 0.00 C ATOM 891 OG SER A 82 -8.903 2.128 -2.064 1.00 0.00 O ATOM 0 H SER A 82 -7.781 2.637 -4.188 1.00 0.00 H new ATOM 0 HA SER A 82 -6.174 0.641 -3.295 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.667 0.724 -1.196 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.874 2.201 -1.704 1.00 0.00 H new ATOM 0 HG SER A 82 -9.001 2.745 -1.309 1.00 0.00 H new ATOM 896 N LYS A 83 -9.077 -0.493 -4.185 1.00 0.00 N ATOM 897 CA LYS A 83 -9.864 -1.694 -4.413 1.00 0.00 C ATOM 898 C LYS A 83 -9.020 -2.714 -5.179 1.00 0.00 C ATOM 899 O LYS A 83 -8.950 -3.880 -4.795 1.00 0.00 O ATOM 900 CB LYS A 83 -11.184 -1.345 -5.103 1.00 0.00 C ATOM 901 CG LYS A 83 -11.945 -0.272 -4.322 1.00 0.00 C ATOM 902 CD LYS A 83 -12.716 -0.886 -3.152 1.00 0.00 C ATOM 903 CE LYS A 83 -13.499 0.183 -2.388 1.00 0.00 C ATOM 904 NZ LYS A 83 -14.852 0.347 -2.966 1.00 0.00 N ATOM 0 H LYS A 83 -9.448 0.350 -4.624 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.139 -2.156 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.987 -0.992 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.800 -2.240 -5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.245 0.475 -3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.637 0.244 -4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.402 -1.647 -3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.021 -1.385 -2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.577 -0.097 -1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.963 1.132 -2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.339 1.134 -2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.773 0.552 -3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.396 -0.529 -2.831 1.00 0.00 H new ATOM 914 N MET A 84 -8.399 -2.237 -6.248 1.00 0.00 N ATOM 915 CA MET A 84 -7.562 -3.094 -7.071 1.00 0.00 C ATOM 916 C MET A 84 -6.281 -3.483 -6.331 1.00 0.00 C ATOM 917 O MET A 84 -5.771 -4.589 -6.506 1.00 0.00 O ATOM 918 CB MET A 84 -7.202 -2.362 -8.366 1.00 0.00 C ATOM 919 CG MET A 84 -7.817 -3.061 -9.579 1.00 0.00 C ATOM 920 SD MET A 84 -6.768 -4.406 -10.106 1.00 0.00 S ATOM 921 CE MET A 84 -7.320 -5.686 -8.992 1.00 0.00 C ATOM 0 H MET A 84 -8.459 -1.269 -6.563 1.00 0.00 H new ATOM 0 HA MET A 84 -8.117 -4.004 -7.299 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.556 -1.332 -8.317 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.118 -2.321 -8.476 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.808 -3.439 -9.327 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.945 -2.348 -10.394 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.343 -6.641 -9.518 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.635 -5.753 -8.147 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.320 -5.447 -8.630 1.00 0.00 H new ATOM 929 N MET A 85 -5.798 -2.554 -5.520 1.00 0.00 N ATOM 930 CA MET A 85 -4.587 -2.787 -4.753 1.00 0.00 C ATOM 931 C MET A 85 -4.766 -3.959 -3.786 1.00 0.00 C ATOM 932 O MET A 85 -3.966 -4.892 -3.782 1.00 0.00 O ATOM 933 CB MET A 85 -4.231 -1.524 -3.964 1.00 0.00 C ATOM 934 CG MET A 85 -2.750 -1.175 -4.128 1.00 0.00 C ATOM 935 SD MET A 85 -2.432 0.456 -3.473 1.00 0.00 S ATOM 936 CE MET A 85 -2.895 1.450 -4.881 1.00 0.00 C ATOM 0 H MET A 85 -6.224 -1.638 -5.377 1.00 0.00 H new ATOM 0 HA MET A 85 -3.783 -3.033 -5.446 1.00 0.00 H new ATOM 0 HB2 MET A 85 -4.845 -0.691 -4.307 1.00 0.00 H new ATOM 0 HB3 MET A 85 -4.458 -1.674 -2.909 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.135 -1.911 -3.610 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.473 -1.213 -5.182 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.416 2.345 -4.539 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.000 1.739 -5.432 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.552 0.874 -5.533 1.00 0.00 H new ATOM 944 N GLN A 86 -5.822 -3.872 -2.991 1.00 0.00 N ATOM 945 CA GLN A 86 -6.117 -4.915 -2.022 1.00 0.00 C ATOM 946 C GLN A 86 -6.544 -6.198 -2.737 1.00 0.00 C ATOM 947 O GLN A 86 -6.248 -7.299 -2.274 1.00 0.00 O ATOM 948 CB GLN A 86 -7.190 -4.455 -1.032 1.00 0.00 C ATOM 949 CG GLN A 86 -6.768 -4.751 0.408 1.00 0.00 C ATOM 950 CD GLN A 86 -7.789 -5.654 1.104 1.00 0.00 C ATOM 951 OE1 GLN A 86 -8.624 -5.213 1.876 1.00 0.00 O ATOM 952 NE2 GLN A 86 -7.676 -6.941 0.787 1.00 0.00 N ATOM 0 H GLN A 86 -6.484 -3.096 -2.998 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.211 -5.124 -1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.366 -3.386 -1.151 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -8.132 -4.959 -1.250 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.790 -5.231 0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.667 -3.817 0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.954 -7.244 0.133 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -8.311 -7.625 1.198 1.00 0.00 H new ATOM 959 N ILE A 87 -7.234 -6.014 -3.853 1.00 0.00 N ATOM 960 CA ILE A 87 -7.705 -7.144 -4.637 1.00 0.00 C ATOM 961 C ILE A 87 -6.504 -7.890 -5.221 1.00 0.00 C ATOM 962 O ILE A 87 -6.484 -9.119 -5.246 1.00 0.00 O ATOM 963 CB ILE A 87 -8.715 -6.682 -5.690 1.00 0.00 C ATOM 964 CG1 ILE A 87 -10.094 -6.462 -5.067 1.00 0.00 C ATOM 965 CG2 ILE A 87 -8.765 -7.658 -6.867 1.00 0.00 C ATOM 966 CD1 ILE A 87 -10.897 -5.430 -5.863 1.00 0.00 C ATOM 0 H ILE A 87 -7.478 -5.100 -4.233 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.241 -7.850 -4.003 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.384 -5.721 -6.084 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.638 -7.406 -5.036 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.982 -6.125 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.490 -7.306 -7.601 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.780 -7.720 -7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.060 -8.645 -6.509 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.874 -5.292 -5.399 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.362 -4.480 -5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -11.028 -5.782 -6.886 1.00 0.00 H new ATOM 977 N ASN A 88 -5.531 -7.114 -5.677 1.00 0.00 N ATOM 978 CA ASN A 88 -4.329 -7.687 -6.259 1.00 0.00 C ATOM 979 C ASN A 88 -3.446 -8.250 -5.144 1.00 0.00 C ATOM 980 O ASN A 88 -2.853 -9.317 -5.297 1.00 0.00 O ATOM 981 CB ASN A 88 -3.522 -6.625 -7.011 1.00 0.00 C ATOM 982 CG ASN A 88 -3.991 -6.507 -8.462 1.00 0.00 C ATOM 983 OD1 ASN A 88 -4.322 -7.483 -9.117 1.00 0.00 O ATOM 984 ND2 ASN A 88 -3.999 -5.262 -8.929 1.00 0.00 N ATOM 0 H ASN A 88 -5.551 -6.094 -5.655 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.631 -8.471 -6.954 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.627 -5.662 -6.512 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.463 -6.883 -6.987 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.294 -5.079 -9.888 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.710 -4.490 -8.328 1.00 0.00 H new ATOM 990 N LEU A 89 -3.386 -7.509 -4.049 1.00 0.00 N ATOM 991 CA LEU A 89 -2.585 -7.920 -2.909 1.00 0.00 C ATOM 992 C LEU A 89 -3.069 -9.287 -2.418 1.00 0.00 C ATOM 993 O LEU A 89 -2.261 -10.167 -2.126 1.00 0.00 O ATOM 994 CB LEU A 89 -2.596 -6.840 -1.826 1.00 0.00 C ATOM 995 CG LEU A 89 -1.633 -5.668 -2.038 1.00 0.00 C ATOM 996 CD1 LEU A 89 -1.580 -4.772 -0.800 1.00 0.00 C ATOM 997 CD2 LEU A 89 -0.245 -6.167 -2.445 1.00 0.00 C ATOM 0 H LEU A 89 -3.880 -6.625 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.541 -8.035 -3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.608 -6.443 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.362 -7.309 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.010 -5.059 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.889 -3.948 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.574 -4.375 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.239 -5.354 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.420 -5.315 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.155 -6.811 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.319 -6.731 -3.375 1.00 0.00 H new ATOM 1008 N THR A 90 -4.385 -9.420 -2.343 1.00 0.00 N ATOM 1009 CA THR A 90 -4.987 -10.664 -1.892 1.00 0.00 C ATOM 1010 C THR A 90 -4.535 -11.826 -2.779 1.00 0.00 C ATOM 1011 O THR A 90 -4.572 -12.982 -2.359 1.00 0.00 O ATOM 1012 CB THR A 90 -6.504 -10.473 -1.866 1.00 0.00 C ATOM 1013 OG1 THR A 90 -6.694 -9.299 -1.081 1.00 0.00 O ATOM 1014 CG2 THR A 90 -7.219 -11.570 -1.075 1.00 0.00 C ATOM 0 H THR A 90 -5.051 -8.687 -2.587 1.00 0.00 H new ATOM 0 HA THR A 90 -4.661 -10.919 -0.884 1.00 0.00 H new ATOM 0 HB THR A 90 -6.884 -10.455 -2.887 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.763 -8.519 -1.670 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.293 -11.387 -1.088 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.011 -12.539 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.863 -11.567 -0.045 1.00 0.00 H new ATOM 1022 N GLY A 91 -4.120 -11.479 -3.988 1.00 0.00 N ATOM 1023 CA GLY A 91 -3.662 -12.479 -4.936 1.00 0.00 C ATOM 1024 C GLY A 91 -2.333 -13.091 -4.490 1.00 0.00 C ATOM 1025 O GLY A 91 -1.997 -14.208 -4.882 1.00 0.00 O ATOM 0 H GLY A 91 -4.091 -10.519 -4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.413 -13.263 -5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.545 -12.025 -5.920 1.00 0.00 H new ATOM 1029 N PHE A 92 -1.613 -12.333 -3.677 1.00 0.00 N ATOM 1030 CA PHE A 92 -0.328 -12.787 -3.173 1.00 0.00 C ATOM 1031 C PHE A 92 -0.365 -12.960 -1.653 1.00 0.00 C ATOM 1032 O PHE A 92 0.138 -13.951 -1.125 1.00 0.00 O ATOM 1033 CB PHE A 92 0.698 -11.707 -3.526 1.00 0.00 C ATOM 1034 CG PHE A 92 1.772 -12.169 -4.513 1.00 0.00 C ATOM 1035 CD1 PHE A 92 1.412 -12.630 -5.742 1.00 0.00 C ATOM 1036 CD2 PHE A 92 3.084 -12.118 -4.163 1.00 0.00 C ATOM 1037 CE1 PHE A 92 2.409 -13.057 -6.659 1.00 0.00 C ATOM 1038 CE2 PHE A 92 4.081 -12.547 -5.080 1.00 0.00 C ATOM 1039 CZ PHE A 92 3.722 -13.007 -6.309 1.00 0.00 C ATOM 0 H PHE A 92 -1.895 -11.407 -3.355 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.074 -13.750 -3.616 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.176 -10.848 -3.948 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.182 -11.367 -2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.369 -12.671 -6.020 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.369 -11.751 -3.188 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.124 -13.422 -7.635 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.124 -12.508 -4.801 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.480 -13.332 -7.006 1.00 0.00 H new ATOM 1048 N LEU A 93 -0.966 -11.981 -0.992 1.00 0.00 N ATOM 1049 CA LEU A 93 -1.076 -12.014 0.456 1.00 0.00 C ATOM 1050 C LEU A 93 -1.941 -13.205 0.872 1.00 0.00 C ATOM 1051 O LEU A 93 -2.236 -14.077 0.056 1.00 0.00 O ATOM 1052 CB LEU A 93 -1.584 -10.671 0.985 1.00 0.00 C ATOM 1053 CG LEU A 93 -0.881 -9.426 0.440 1.00 0.00 C ATOM 1054 CD1 LEU A 93 -0.923 -8.283 1.457 1.00 0.00 C ATOM 1055 CD2 LEU A 93 0.548 -9.751 0.001 1.00 0.00 C ATOM 0 H LEU A 93 -1.382 -11.160 -1.433 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.095 -12.159 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.647 -10.592 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.489 -10.671 2.071 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.421 -9.089 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.416 -7.410 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.960 -8.030 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.422 -8.593 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.025 -8.849 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.114 -10.127 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.525 -10.509 -0.782 1.00 0.00 H new ATOM 1066 N ASN A 94 -2.324 -13.204 2.141 1.00 0.00 N ATOM 1067 CA ASN A 94 -3.150 -14.273 2.674 1.00 0.00 C ATOM 1068 C ASN A 94 -4.623 -13.869 2.583 1.00 0.00 C ATOM 1069 O ASN A 94 -5.509 -14.716 2.678 1.00 0.00 O ATOM 1070 CB ASN A 94 -2.823 -14.541 4.144 1.00 0.00 C ATOM 1071 CG ASN A 94 -1.516 -15.325 4.282 1.00 0.00 C ATOM 1072 OD1 ASN A 94 -1.482 -16.542 4.208 1.00 0.00 O ATOM 1073 ND2 ASN A 94 -0.446 -14.563 4.485 1.00 0.00 N ATOM 0 H ASN A 94 -2.077 -12.479 2.815 1.00 0.00 H new ATOM 0 HA ASN A 94 -2.954 -15.173 2.091 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -2.742 -13.596 4.680 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -3.637 -15.100 4.605 1.00 0.00 H new ATOM 0 HD21 ASN A 94 0.473 -14.992 4.589 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.544 -13.549 4.537 1.00 0.00 H new ATOM 1079 N GLY A 95 -4.837 -12.575 2.400 1.00 0.00 N ATOM 1080 CA GLY A 95 -6.187 -12.048 2.296 1.00 0.00 C ATOM 1081 C GLY A 95 -6.448 -10.992 3.371 1.00 0.00 C ATOM 1082 O GLY A 95 -6.866 -9.876 3.062 1.00 0.00 O ATOM 0 H GLY A 95 -4.099 -11.876 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.335 -11.611 1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.907 -12.860 2.397 1.00 0.00 H new ATOM 1086 N LYS A 96 -6.191 -11.379 4.612 1.00 0.00 N ATOM 1087 CA LYS A 96 -6.393 -10.479 5.734 1.00 0.00 C ATOM 1088 C LYS A 96 -5.252 -9.461 5.778 1.00 0.00 C ATOM 1089 O LYS A 96 -5.446 -8.323 6.203 1.00 0.00 O ATOM 1090 CB LYS A 96 -6.560 -11.270 7.032 1.00 0.00 C ATOM 1091 CG LYS A 96 -8.013 -11.239 7.511 1.00 0.00 C ATOM 1092 CD LYS A 96 -8.779 -12.470 7.019 1.00 0.00 C ATOM 1093 CE LYS A 96 -9.477 -13.181 8.181 1.00 0.00 C ATOM 1094 NZ LYS A 96 -10.680 -13.897 7.702 1.00 0.00 N ATOM 0 H LYS A 96 -5.844 -12.304 4.865 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.318 -9.917 5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.247 -12.302 6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.911 -10.853 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.040 -11.201 8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.500 -10.334 7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.517 -12.170 6.275 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.092 -13.158 6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.790 -13.885 8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.758 -12.455 8.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.142 -14.374 8.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.342 -13.217 7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.403 -14.604 6.991 1.00 0.00 H new ATOM 1104 N ASN A 97 -4.086 -9.907 5.331 1.00 0.00 N ATOM 1105 CA ASN A 97 -2.914 -9.049 5.314 1.00 0.00 C ATOM 1106 C ASN A 97 -3.130 -7.918 4.306 1.00 0.00 C ATOM 1107 O ASN A 97 -2.627 -6.811 4.493 1.00 0.00 O ATOM 1108 CB ASN A 97 -1.668 -9.828 4.891 1.00 0.00 C ATOM 1109 CG ASN A 97 -0.842 -10.245 6.109 1.00 0.00 C ATOM 1110 OD1 ASN A 97 -0.650 -11.418 6.389 1.00 0.00 O ATOM 1111 ND2 ASN A 97 -0.366 -9.225 6.816 1.00 0.00 N ATOM 0 H ASN A 97 -3.929 -10.851 4.978 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.769 -8.656 6.320 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.962 -10.713 4.327 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.059 -9.214 4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.197 -9.400 7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.564 -8.267 6.526 1.00 0.00 H new ATOM 1117 N ALA A 98 -3.878 -8.236 3.259 1.00 0.00 N ATOM 1118 CA ALA A 98 -4.165 -7.260 2.222 1.00 0.00 C ATOM 1119 C ALA A 98 -5.018 -6.134 2.809 1.00 0.00 C ATOM 1120 O ALA A 98 -4.834 -4.967 2.466 1.00 0.00 O ATOM 1121 CB ALA A 98 -4.849 -7.956 1.043 1.00 0.00 C ATOM 0 H ALA A 98 -4.293 -9.155 3.107 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.243 -6.814 1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.065 -7.225 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.190 -8.727 0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.780 -8.412 1.380 1.00 0.00 H new ATOM 1127 N ARG A 99 -5.935 -6.523 3.684 1.00 0.00 N ATOM 1128 CA ARG A 99 -6.816 -5.562 4.322 1.00 0.00 C ATOM 1129 C ARG A 99 -6.037 -4.713 5.329 1.00 0.00 C ATOM 1130 O ARG A 99 -6.253 -3.506 5.428 1.00 0.00 O ATOM 1131 CB ARG A 99 -7.969 -6.264 5.042 1.00 0.00 C ATOM 1132 CG ARG A 99 -9.252 -6.209 4.209 1.00 0.00 C ATOM 1133 CD ARG A 99 -10.444 -6.747 5.001 1.00 0.00 C ATOM 1134 NE ARG A 99 -10.460 -8.226 4.951 1.00 0.00 N ATOM 1135 CZ ARG A 99 -11.521 -8.978 5.275 1.00 0.00 C ATOM 1136 NH1 ARG A 99 -12.659 -8.393 5.676 1.00 0.00 N ATOM 1137 NH2 ARG A 99 -11.445 -10.313 5.200 1.00 0.00 N ATOM 0 H ARG A 99 -6.086 -7.492 3.965 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.226 -4.921 3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.702 -7.303 5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.139 -5.792 6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.448 -5.181 3.904 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.123 -6.793 3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.385 -6.411 6.036 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.373 -6.351 4.590 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.610 -8.703 4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.717 -7.376 5.734 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.467 -8.965 5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.579 -10.758 4.896 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.253 -10.884 5.447 1.00 0.00 H new ATOM 1148 N GLU A 100 -5.147 -5.378 6.051 1.00 0.00 N ATOM 1149 CA GLU A 100 -4.334 -4.699 7.046 1.00 0.00 C ATOM 1150 C GLU A 100 -3.263 -3.846 6.364 1.00 0.00 C ATOM 1151 O GLU A 100 -2.940 -2.757 6.836 1.00 0.00 O ATOM 1152 CB GLU A 100 -3.702 -5.702 8.013 1.00 0.00 C ATOM 1153 CG GLU A 100 -4.713 -6.159 9.067 1.00 0.00 C ATOM 1154 CD GLU A 100 -4.378 -7.561 9.578 1.00 0.00 C ATOM 1155 OE1 GLU A 100 -3.181 -7.793 9.854 1.00 0.00 O ATOM 1156 OE2 GLU A 100 -5.326 -8.369 9.680 1.00 0.00 O ATOM 0 H GLU A 100 -4.971 -6.379 5.967 1.00 0.00 H new ATOM 0 HA GLU A 100 -4.980 -4.040 7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.334 -6.565 7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.841 -5.247 8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.718 -5.456 9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.716 -6.154 8.640 1.00 0.00 H new ATOM 1161 N PHE A 101 -2.742 -4.373 5.266 1.00 0.00 N ATOM 1162 CA PHE A 101 -1.714 -3.672 4.515 1.00 0.00 C ATOM 1163 C PHE A 101 -2.258 -2.370 3.923 1.00 0.00 C ATOM 1164 O PHE A 101 -1.641 -1.315 4.062 1.00 0.00 O ATOM 1165 CB PHE A 101 -1.285 -4.597 3.374 1.00 0.00 C ATOM 1166 CG PHE A 101 -0.390 -3.924 2.331 1.00 0.00 C ATOM 1167 CD1 PHE A 101 -0.946 -3.195 1.327 1.00 0.00 C ATOM 1168 CD2 PHE A 101 0.962 -4.057 2.407 1.00 0.00 C ATOM 1169 CE1 PHE A 101 -0.116 -2.571 0.359 1.00 0.00 C ATOM 1170 CE2 PHE A 101 1.791 -3.434 1.440 1.00 0.00 C ATOM 1171 CZ PHE A 101 1.235 -2.703 0.436 1.00 0.00 C ATOM 0 H PHE A 101 -3.012 -5.277 4.878 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.881 -3.421 5.171 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.757 -5.453 3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.176 -4.983 2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.019 -3.091 1.266 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.404 -4.637 3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.558 -1.992 -0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.864 -3.540 1.500 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.867 -2.228 -0.300 1.00 0.00 H new ATOM 1180 N MET A 102 -3.408 -2.488 3.276 1.00 0.00 N ATOM 1181 CA MET A 102 -4.043 -1.333 2.662 1.00 0.00 C ATOM 1182 C MET A 102 -4.532 -0.347 3.725 1.00 0.00 C ATOM 1183 O MET A 102 -4.532 0.863 3.501 1.00 0.00 O ATOM 1184 CB MET A 102 -5.226 -1.794 1.809 1.00 0.00 C ATOM 1185 CG MET A 102 -4.761 -2.236 0.420 1.00 0.00 C ATOM 1186 SD MET A 102 -3.958 -0.879 -0.416 1.00 0.00 S ATOM 1187 CE MET A 102 -5.385 0.094 -0.869 1.00 0.00 C ATOM 0 H MET A 102 -3.917 -3.365 3.163 1.00 0.00 H new ATOM 0 HA MET A 102 -3.308 -0.828 2.036 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.737 -2.619 2.305 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.948 -0.983 1.714 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.074 -3.077 0.508 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.613 -2.581 -0.165 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.116 0.783 -1.670 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.182 -0.566 -1.211 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.729 0.660 -0.003 1.00 0.00 H new ATOM 1195 N GLY A 103 -4.937 -0.901 4.858 1.00 0.00 N ATOM 1196 CA GLY A 103 -5.429 -0.086 5.956 1.00 0.00 C ATOM 1197 C GLY A 103 -4.271 0.532 6.741 1.00 0.00 C ATOM 1198 O GLY A 103 -4.466 1.052 7.838 1.00 0.00 O ATOM 0 H GLY A 103 -4.935 -1.905 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.072 0.704 5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.040 -0.696 6.622 1.00 0.00 H new ATOM 1202 N GLU A 104 -3.088 0.455 6.148 1.00 0.00 N ATOM 1203 CA GLU A 104 -1.897 1.000 6.778 1.00 0.00 C ATOM 1204 C GLU A 104 -1.159 1.926 5.808 1.00 0.00 C ATOM 1205 O GLU A 104 -0.500 2.874 6.230 1.00 0.00 O ATOM 1206 CB GLU A 104 -0.979 -0.118 7.275 1.00 0.00 C ATOM 1207 CG GLU A 104 -1.473 -0.681 8.609 1.00 0.00 C ATOM 1208 CD GLU A 104 -0.346 -0.710 9.643 1.00 0.00 C ATOM 1209 OE1 GLU A 104 0.705 -1.304 9.320 1.00 0.00 O ATOM 1210 OE2 GLU A 104 -0.562 -0.139 10.733 1.00 0.00 O ATOM 0 H GLU A 104 -2.929 0.023 5.238 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.204 1.585 7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.937 -0.915 6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.035 0.264 7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.297 -0.073 8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.862 -1.689 8.461 1.00 0.00 H new ATOM 1215 N LEU A 105 -1.297 1.617 4.527 1.00 0.00 N ATOM 1216 CA LEU A 105 -0.652 2.409 3.493 1.00 0.00 C ATOM 1217 C LEU A 105 -1.652 3.422 2.934 1.00 0.00 C ATOM 1218 O LEU A 105 -1.281 4.547 2.602 1.00 0.00 O ATOM 1219 CB LEU A 105 -0.036 1.500 2.427 1.00 0.00 C ATOM 1220 CG LEU A 105 -0.415 1.813 0.979 1.00 0.00 C ATOM 1221 CD1 LEU A 105 -1.881 1.470 0.709 1.00 0.00 C ATOM 1222 CD2 LEU A 105 -0.093 3.267 0.630 1.00 0.00 C ATOM 0 H LEU A 105 -1.846 0.830 4.182 1.00 0.00 H new ATOM 0 HA LEU A 105 0.178 2.978 3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.049 1.551 2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.325 0.472 2.643 1.00 0.00 H new ATOM 0 HG LEU A 105 0.188 1.184 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.124 1.702 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.046 0.408 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.519 2.055 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.372 3.463 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.652 3.932 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.975 3.444 0.757 1.00 0.00 H new ATOM 1233 N TRP A 106 -2.900 2.987 2.847 1.00 0.00 N ATOM 1234 CA TRP A 106 -3.957 3.842 2.334 1.00 0.00 C ATOM 1235 C TRP A 106 -4.067 5.061 3.252 1.00 0.00 C ATOM 1236 O TRP A 106 -4.201 6.189 2.780 1.00 0.00 O ATOM 1237 CB TRP A 106 -5.272 3.071 2.205 1.00 0.00 C ATOM 1238 CG TRP A 106 -6.287 3.726 1.264 1.00 0.00 C ATOM 1239 CD1 TRP A 106 -7.483 4.244 1.575 1.00 0.00 C ATOM 1240 CD2 TRP A 106 -6.145 3.912 -0.159 1.00 0.00 C ATOM 1241 NE1 TRP A 106 -8.120 4.748 0.460 1.00 0.00 N ATOM 1242 CE2 TRP A 106 -7.280 4.540 -0.629 1.00 0.00 C ATOM 1243 CE3 TRP A 106 -5.091 3.562 -1.022 1.00 0.00 C ATOM 1244 CZ2 TRP A 106 -7.472 4.873 -1.975 1.00 0.00 C ATOM 1245 CZ3 TRP A 106 -5.298 3.900 -2.364 1.00 0.00 C ATOM 1246 CH2 TRP A 106 -6.436 4.532 -2.853 1.00 0.00 C ATOM 0 H TRP A 106 -3.203 2.053 3.123 1.00 0.00 H new ATOM 0 HA TRP A 106 -3.720 4.185 1.327 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -5.057 2.064 1.847 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -5.721 2.970 3.193 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -7.896 4.264 2.573 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -9.038 5.192 0.438 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -4.193 3.071 -0.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -8.370 5.366 -2.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -4.519 3.653 -3.070 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.520 4.759 -3.906 1.00 0.00 H new ATOM 1256 N PRO A 107 -4.005 4.785 4.583 1.00 0.00 N ATOM 1257 CA PRO A 107 -4.096 5.846 5.572 1.00 0.00 C ATOM 1258 C PRO A 107 -2.792 6.645 5.641 1.00 0.00 C ATOM 1259 O PRO A 107 -2.800 7.823 5.991 1.00 0.00 O ATOM 1260 CB PRO A 107 -4.429 5.141 6.876 1.00 0.00 C ATOM 1261 CG PRO A 107 -4.057 3.681 6.668 1.00 0.00 C ATOM 1262 CD PRO A 107 -3.847 3.462 5.178 1.00 0.00 C ATOM 0 HA PRO A 107 -4.860 6.584 5.327 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -3.870 5.572 7.707 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.487 5.244 7.116 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -3.151 3.435 7.222 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.846 3.029 7.042 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.858 3.051 4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.574 2.757 4.775 1.00 0.00 H new ATOM 1267 N LEU A 108 -1.703 5.970 5.301 1.00 0.00 N ATOM 1268 CA LEU A 108 -0.395 6.602 5.320 1.00 0.00 C ATOM 1269 C LEU A 108 -0.408 7.818 4.392 1.00 0.00 C ATOM 1270 O LEU A 108 0.113 8.876 4.742 1.00 0.00 O ATOM 1271 CB LEU A 108 0.697 5.584 4.985 1.00 0.00 C ATOM 1272 CG LEU A 108 1.830 5.456 6.004 1.00 0.00 C ATOM 1273 CD1 LEU A 108 1.709 4.154 6.799 1.00 0.00 C ATOM 1274 CD2 LEU A 108 3.195 5.588 5.326 1.00 0.00 C ATOM 0 H LEU A 108 -1.700 4.992 5.011 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.162 6.966 6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.230 4.606 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.130 5.850 4.021 1.00 0.00 H new ATOM 0 HG LEU A 108 1.743 6.277 6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.527 4.088 7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.758 4.140 7.331 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.756 3.305 6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.983 5.493 6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.307 4.803 4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.269 6.562 4.843 1.00 0.00 H new ATOM 1285 N LEU A 109 -1.007 7.627 3.227 1.00 0.00 N ATOM 1286 CA LEU A 109 -1.094 8.696 2.246 1.00 0.00 C ATOM 1287 C LEU A 109 -2.096 9.746 2.729 1.00 0.00 C ATOM 1288 O LEU A 109 -1.937 10.933 2.454 1.00 0.00 O ATOM 1289 CB LEU A 109 -1.418 8.128 0.862 1.00 0.00 C ATOM 1290 CG LEU A 109 -0.638 6.877 0.451 1.00 0.00 C ATOM 1291 CD1 LEU A 109 -1.458 6.009 -0.506 1.00 0.00 C ATOM 1292 CD2 LEU A 109 0.724 7.249 -0.138 1.00 0.00 C ATOM 0 H LEU A 109 -1.437 6.748 2.939 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.132 9.197 2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.483 7.896 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.236 8.906 0.120 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.451 6.282 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.881 5.127 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.381 5.700 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.697 6.582 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.258 6.342 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.581 7.876 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.305 7.794 0.606 1.00 0.00 H new ATOM 1303 N LEU A 110 -3.107 9.269 3.441 1.00 0.00 N ATOM 1304 CA LEU A 110 -4.135 10.153 3.965 1.00 0.00 C ATOM 1305 C LEU A 110 -3.476 11.266 4.782 1.00 0.00 C ATOM 1306 O LEU A 110 -3.821 12.437 4.633 1.00 0.00 O ATOM 1307 CB LEU A 110 -5.180 9.354 4.745 1.00 0.00 C ATOM 1308 CG LEU A 110 -6.373 8.841 3.935 1.00 0.00 C ATOM 1309 CD1 LEU A 110 -6.026 8.745 2.449 1.00 0.00 C ATOM 1310 CD2 LEU A 110 -6.882 7.508 4.492 1.00 0.00 C ATOM 0 H LEU A 110 -3.236 8.283 3.667 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.677 10.633 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.685 8.500 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.557 9.979 5.554 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.185 9.561 4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.891 8.378 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.748 9.731 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.191 8.058 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.730 7.166 3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.084 6.766 4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.195 7.642 5.528 1.00 0.00 H new ATOM 1321 N SER A 111 -2.541 10.860 5.628 1.00 0.00 N ATOM 1322 CA SER A 111 -1.831 11.810 6.469 1.00 0.00 C ATOM 1323 C SER A 111 -0.762 12.536 5.652 1.00 0.00 C ATOM 1324 O SER A 111 -0.468 13.704 5.905 1.00 0.00 O ATOM 1325 CB SER A 111 -1.195 11.110 7.672 1.00 0.00 C ATOM 1326 OG SER A 111 -0.501 12.025 8.517 1.00 0.00 O ATOM 0 H SER A 111 -2.258 9.887 5.750 1.00 0.00 H new ATOM 0 HA SER A 111 -2.549 12.539 6.844 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.969 10.602 8.247 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.503 10.344 7.322 1.00 0.00 H new ATOM 0 HG SER A 111 -0.111 11.540 9.274 1.00 0.00 H new ATOM 1331 N ALA A 112 -0.209 11.815 4.686 1.00 0.00 N ATOM 1332 CA ALA A 112 0.822 12.377 3.830 1.00 0.00 C ATOM 1333 C ALA A 112 0.218 13.497 2.980 1.00 0.00 C ATOM 1334 O ALA A 112 0.796 14.577 2.869 1.00 0.00 O ATOM 1335 CB ALA A 112 1.438 11.266 2.978 1.00 0.00 C ATOM 0 H ALA A 112 -0.456 10.847 4.478 1.00 0.00 H new ATOM 0 HA ALA A 112 1.623 12.812 4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.212 11.687 2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.878 10.510 3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.664 10.808 2.362 1.00 0.00 H new ATOM 1341 N GLN A 113 -0.937 13.201 2.402 1.00 0.00 N ATOM 1342 CA GLN A 113 -1.626 14.169 1.566 1.00 0.00 C ATOM 1343 C GLN A 113 -1.989 15.412 2.382 1.00 0.00 C ATOM 1344 O GLN A 113 -2.292 16.462 1.818 1.00 0.00 O ATOM 1345 CB GLN A 113 -2.869 13.553 0.923 1.00 0.00 C ATOM 1346 CG GLN A 113 -3.918 13.203 1.982 1.00 0.00 C ATOM 1347 CD GLN A 113 -5.302 13.043 1.350 1.00 0.00 C ATOM 1348 OE1 GLN A 113 -6.207 13.833 1.566 1.00 0.00 O ATOM 1349 NE2 GLN A 113 -5.417 11.979 0.560 1.00 0.00 N ATOM 0 H GLN A 113 -1.413 12.304 2.496 1.00 0.00 H new ATOM 0 HA GLN A 113 -0.953 14.469 0.762 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -3.294 14.251 0.202 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -2.590 12.655 0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -3.636 12.279 2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -3.949 13.985 2.741 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -4.620 11.358 0.422 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.302 11.784 0.092 1.00 0.00 H new ATOM 1356 N GLU A 114 -1.945 15.251 3.696 1.00 0.00 N ATOM 1357 CA GLU A 114 -2.266 16.346 4.595 1.00 0.00 C ATOM 1358 C GLU A 114 -1.011 17.168 4.900 1.00 0.00 C ATOM 1359 O GLU A 114 -1.099 18.251 5.476 1.00 0.00 O ATOM 1360 CB GLU A 114 -2.910 15.829 5.883 1.00 0.00 C ATOM 1361 CG GLU A 114 -4.283 15.214 5.602 1.00 0.00 C ATOM 1362 CD GLU A 114 -5.386 15.979 6.337 1.00 0.00 C ATOM 1363 OE1 GLU A 114 -5.128 16.372 7.495 1.00 0.00 O ATOM 1364 OE2 GLU A 114 -6.462 16.151 5.725 1.00 0.00 O ATOM 0 H GLU A 114 -1.692 14.379 4.160 1.00 0.00 H new ATOM 0 HA GLU A 114 -2.990 16.994 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.262 15.084 6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.013 16.647 6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.479 15.227 4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.289 14.170 5.915 1.00 0.00 H new ATOM 1369 N ASN A 115 0.126 16.620 4.500 1.00 0.00 N ATOM 1370 CA ASN A 115 1.397 17.289 4.723 1.00 0.00 C ATOM 1371 C ASN A 115 1.685 18.231 3.553 1.00 0.00 C ATOM 1372 O ASN A 115 0.783 18.574 2.791 1.00 0.00 O ATOM 1373 CB ASN A 115 2.543 16.278 4.810 1.00 0.00 C ATOM 1374 CG ASN A 115 3.272 16.389 6.151 1.00 0.00 C ATOM 1375 OD1 ASN A 115 4.252 17.100 6.296 1.00 0.00 O ATOM 1376 ND2 ASN A 115 2.739 15.648 7.118 1.00 0.00 N ATOM 0 H ASN A 115 0.195 15.721 4.023 1.00 0.00 H new ATOM 0 HA ASN A 115 1.329 17.839 5.662 1.00 0.00 H new ATOM 0 HB2 ASN A 115 2.152 15.268 4.687 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.246 16.449 3.995 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.152 15.653 8.051 1.00 0.00 H new ATOM 0 HD22 ASN A 115 1.917 15.075 6.927 1.00 0.00 H new ATOM 1382 N ILE A 116 2.947 18.624 3.448 1.00 0.00 N ATOM 1383 CA ILE A 116 3.365 19.520 2.384 1.00 0.00 C ATOM 1384 C ILE A 116 4.286 18.768 1.422 1.00 0.00 C ATOM 1385 O ILE A 116 4.190 18.934 0.208 1.00 0.00 O ATOM 1386 CB ILE A 116 3.989 20.790 2.967 1.00 0.00 C ATOM 1387 CG1 ILE A 116 3.798 21.978 2.023 1.00 0.00 C ATOM 1388 CG2 ILE A 116 5.462 20.566 3.317 1.00 0.00 C ATOM 1389 CD1 ILE A 116 4.943 22.064 1.011 1.00 0.00 C ATOM 0 H ILE A 116 3.693 18.338 4.082 1.00 0.00 H new ATOM 0 HA ILE A 116 2.503 19.853 1.806 1.00 0.00 H new ATOM 0 HB ILE A 116 3.471 21.031 3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.849 21.879 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.748 22.901 2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 116 5.882 21.484 3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 116 5.543 19.767 4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.011 20.288 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.783 22.917 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.888 22.187 1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.975 21.149 0.419 1.00 0.00 H new ATOM 1400 N ALA A 117 5.159 17.957 2.002 1.00 0.00 N ATOM 1401 CA ALA A 117 6.097 17.178 1.211 1.00 0.00 C ATOM 1402 C ALA A 117 5.465 15.831 0.859 1.00 0.00 C ATOM 1403 O ALA A 117 6.139 14.941 0.341 1.00 0.00 O ATOM 1404 CB ALA A 117 7.409 17.023 1.982 1.00 0.00 C ATOM 0 H ALA A 117 5.237 17.823 3.010 1.00 0.00 H new ATOM 0 HA ALA A 117 6.327 17.688 0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.113 16.439 1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.832 18.007 2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.218 16.512 2.926 1.00 0.00 H new ATOM 1410 N GLY A 118 4.177 15.721 1.154 1.00 0.00 N ATOM 1411 CA GLY A 118 3.447 14.496 0.874 1.00 0.00 C ATOM 1412 C GLY A 118 4.074 13.306 1.603 1.00 0.00 C ATOM 1413 O GLY A 118 4.178 12.215 1.043 1.00 0.00 O ATOM 0 H GLY A 118 3.621 16.460 1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 118 2.408 14.609 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.443 14.308 -0.200 1.00 0.00 H new ATOM 1417 N ILE A 119 4.474 13.555 2.841 1.00 0.00 N ATOM 1418 CA ILE A 119 5.088 12.518 3.653 1.00 0.00 C ATOM 1419 C ILE A 119 4.242 12.292 4.908 1.00 0.00 C ATOM 1420 O ILE A 119 3.778 13.247 5.529 1.00 0.00 O ATOM 1421 CB ILE A 119 6.548 12.862 3.948 1.00 0.00 C ATOM 1422 CG1 ILE A 119 7.478 12.258 2.894 1.00 0.00 C ATOM 1423 CG2 ILE A 119 6.936 12.437 5.367 1.00 0.00 C ATOM 1424 CD1 ILE A 119 7.404 13.042 1.583 1.00 0.00 C ATOM 0 H ILE A 119 4.385 14.460 3.302 1.00 0.00 H new ATOM 0 HA ILE A 119 5.112 11.573 3.110 1.00 0.00 H new ATOM 0 HB ILE A 119 6.661 13.945 3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.503 12.259 3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.205 11.218 2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 119 7.979 12.693 5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 119 6.303 12.954 6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.802 11.360 5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.075 12.592 0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 119 6.383 13.019 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 119 7.702 14.076 1.760 1.00 0.00 H new ATOM 1435 N PRO A 120 4.065 10.988 5.254 1.00 0.00 N ATOM 1436 CA PRO A 120 3.284 10.624 6.425 1.00 0.00 C ATOM 1437 C PRO A 120 4.066 10.896 7.711 1.00 0.00 C ATOM 1438 O PRO A 120 5.293 10.806 7.726 1.00 0.00 O ATOM 1439 CB PRO A 120 2.948 9.155 6.231 1.00 0.00 C ATOM 1440 CG PRO A 120 3.936 8.633 5.202 1.00 0.00 C ATOM 1441 CD PRO A 120 4.599 9.831 4.543 1.00 0.00 C ATOM 0 HA PRO A 120 2.375 11.216 6.526 1.00 0.00 H new ATOM 0 HB2 PRO A 120 3.036 8.607 7.169 1.00 0.00 H new ATOM 0 HB3 PRO A 120 1.922 9.032 5.885 1.00 0.00 H new ATOM 0 HG2 PRO A 120 4.683 7.997 5.678 1.00 0.00 H new ATOM 0 HG3 PRO A 120 3.425 8.022 4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.684 9.780 4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 120 4.365 9.877 3.479 1.00 0.00 H new ATOM 1446 N SER A 121 3.325 11.221 8.759 1.00 0.00 N ATOM 1447 CA SER A 121 3.933 11.505 10.048 1.00 0.00 C ATOM 1448 C SER A 121 4.717 10.285 10.537 1.00 0.00 C ATOM 1449 O SER A 121 5.550 10.397 11.435 1.00 0.00 O ATOM 1450 CB SER A 121 2.877 11.905 11.080 1.00 0.00 C ATOM 1451 OG SER A 121 1.996 10.829 11.387 1.00 0.00 O ATOM 0 H SER A 121 2.308 11.294 8.742 1.00 0.00 H new ATOM 0 HA SER A 121 4.618 12.344 9.925 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.370 12.241 11.992 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.300 12.749 10.700 1.00 0.00 H new ATOM 0 HG SER A 121 1.338 11.124 12.051 1.00 0.00 H new ATOM 1456 N ALA A 122 4.423 9.148 9.925 1.00 0.00 N ATOM 1457 CA ALA A 122 5.089 7.908 10.285 1.00 0.00 C ATOM 1458 C ALA A 122 6.595 8.060 10.061 1.00 0.00 C ATOM 1459 O ALA A 122 7.395 7.415 10.736 1.00 0.00 O ATOM 1460 CB ALA A 122 4.492 6.754 9.480 1.00 0.00 C ATOM 0 H ALA A 122 3.731 9.059 9.181 1.00 0.00 H new ATOM 0 HA ALA A 122 4.934 7.681 11.340 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.992 5.824 9.751 1.00 0.00 H new ATOM 0 HB2 ALA A 122 3.427 6.670 9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.630 6.943 8.415 1.00 0.00 H new ATOM 1466 N PHE A 123 6.935 8.915 9.108 1.00 0.00 N ATOM 1467 CA PHE A 123 8.330 9.159 8.784 1.00 0.00 C ATOM 1468 C PHE A 123 8.827 10.450 9.437 1.00 0.00 C ATOM 1469 O PHE A 123 9.962 10.516 9.905 1.00 0.00 O ATOM 1470 CB PHE A 123 8.419 9.303 7.264 1.00 0.00 C ATOM 1471 CG PHE A 123 7.793 8.141 6.491 1.00 0.00 C ATOM 1472 CD1 PHE A 123 7.590 6.945 7.106 1.00 0.00 C ATOM 1473 CD2 PHE A 123 7.438 8.304 5.188 1.00 0.00 C ATOM 1474 CE1 PHE A 123 7.008 5.867 6.389 1.00 0.00 C ATOM 1475 CE2 PHE A 123 6.857 7.225 4.470 1.00 0.00 C ATOM 1476 CZ PHE A 123 6.654 6.030 5.086 1.00 0.00 C ATOM 0 H PHE A 123 6.268 9.448 8.550 1.00 0.00 H new ATOM 0 HA PHE A 123 8.946 8.338 9.151 1.00 0.00 H new ATOM 0 HB2 PHE A 123 7.927 10.230 6.968 1.00 0.00 H new ATOM 0 HB3 PHE A 123 9.467 9.393 6.979 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.872 6.815 8.141 1.00 0.00 H new ATOM 0 HD2 PHE A 123 7.598 9.254 4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 123 6.846 4.918 6.878 1.00 0.00 H new ATOM 0 HE2 PHE A 123 6.577 7.354 3.435 1.00 0.00 H new ATOM 0 HZ PHE A 123 6.211 5.210 4.540 1.00 0.00 H new ATOM 1485 N LEU A 124 7.950 11.445 9.449 1.00 0.00 N ATOM 1486 CA LEU A 124 8.286 12.730 10.037 1.00 0.00 C ATOM 1487 C LEU A 124 8.801 12.516 11.462 1.00 0.00 C ATOM 1488 O LEU A 124 9.984 12.715 11.733 1.00 0.00 O ATOM 1489 CB LEU A 124 7.093 13.685 9.951 1.00 0.00 C ATOM 1490 CG LEU A 124 6.499 13.892 8.556 1.00 0.00 C ATOM 1491 CD1 LEU A 124 5.190 14.682 8.630 1.00 0.00 C ATOM 1492 CD2 LEU A 124 7.513 14.551 7.620 1.00 0.00 C ATOM 0 H LEU A 124 7.008 11.386 9.061 1.00 0.00 H new ATOM 0 HA LEU A 124 9.090 13.207 9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.307 13.312 10.607 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.401 14.655 10.341 1.00 0.00 H new ATOM 0 HG LEU A 124 6.263 12.914 8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 124 4.788 14.816 7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 124 4.470 14.136 9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 124 5.379 15.658 9.078 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.065 14.686 6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.803 15.521 8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 124 8.394 13.916 7.533 1.00 0.00 H new ATOM 1503 N GLU A 125 7.888 12.113 12.332 1.00 0.00 N ATOM 1504 CA GLU A 125 8.235 11.870 13.722 1.00 0.00 C ATOM 1505 C GLU A 125 9.558 11.107 13.812 1.00 0.00 C ATOM 1506 O GLU A 125 10.461 11.507 14.546 1.00 0.00 O ATOM 1507 CB GLU A 125 7.116 11.116 14.443 1.00 0.00 C ATOM 1508 CG GLU A 125 7.382 11.048 15.948 1.00 0.00 C ATOM 1509 CD GLU A 125 7.015 12.369 16.629 1.00 0.00 C ATOM 1510 OE1 GLU A 125 5.987 12.952 16.221 1.00 0.00 O ATOM 1511 OE2 GLU A 125 7.772 12.766 17.541 1.00 0.00 O ATOM 0 H GLU A 125 6.908 11.948 12.102 1.00 0.00 H new ATOM 0 HA GLU A 125 8.358 12.832 14.220 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.162 11.612 14.261 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.033 10.107 14.039 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.803 10.235 16.387 1.00 0.00 H new ATOM 0 HG3 GLU A 125 8.434 10.823 16.125 1.00 0.00 H new