USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 970 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 TYR OH : rot 143:sc= -0.322 USER MOD Set 1.2: A 99 TYR OH : rot -15:sc= 1.37 USER MOD Set 2.1: A 73 ASN : amide:sc= -1.82! C(o=-1.8!,f=-10!) USER MOD Set 2.2: A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 34 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 71 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.44) USER MOD Single : A 10 ASN : amide:sc= 0.09 X(o=0.09,f=0.54) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.2) USER MOD Single : A 19 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.4!) USER MOD Single : A 23 THR OG1 : rot -90:sc= -2.71! USER MOD Single : A 29 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 32 SER OG : rot -91:sc= 1.24 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -156:sc= -0.0387 USER MOD Single : A 52 GLN : amide:sc= -0.319 K(o=-0.32,f=-4.1!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= 0.964 (180deg=0.963) USER MOD Single : A 59 TYR OH : rot -148:sc= 0.353 USER MOD Single : A 62 GLN :FLIP amide:sc=9.67e-05 F(o=-0.69,f=9.7e-05) USER MOD Single : A 64 SER OG : rot 48:sc= 0.687 USER MOD Single : A 65 THR OG1 : rot -129:sc= -0.102 USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0401) USER MOD Single : A 86 HIS : no HE2:sc= -1.69! C(o=-1.7!,f=-3.7!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 165:sc= -0.0705 (180deg=-0.319) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 96 GLN : amide:sc= -2.14! X(o=-2.1!,f=-2.2) USER MOD Single : A 97 LYS NZ :NH3+ -153:sc= 1.26 (180deg=1.17) USER MOD Single : A 98 TYR OH : rot 26:sc= 2.21 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 MET CE :methyl 151:sc= -0.837 (180deg=-2.48!) USER MOD Single : B 213 SER OG : rot -10:sc= 0.881 USER MOD Single : B 215 SER OG : rot -97:sc= 0.753 USER MOD Single : C 317 SER OG : rot 178:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 128 N ASN A 10 3.890 4.927 -5.605 1.00 0.00 N ATOM 129 CA ASN A 10 4.731 5.998 -6.071 1.00 0.00 C ATOM 130 C ASN A 10 4.170 7.339 -5.707 1.00 0.00 C ATOM 131 O ASN A 10 3.604 8.054 -6.544 1.00 0.00 O ATOM 132 CB ASN A 10 5.006 5.917 -7.584 1.00 0.00 C ATOM 133 CG ASN A 10 5.800 4.691 -8.006 1.00 0.00 C ATOM 134 OD1 ASN A 10 5.742 3.633 -7.384 1.00 0.00 O ATOM 135 ND2 ASN A 10 6.546 4.814 -9.067 1.00 0.00 N ATOM 0 HA ASN A 10 5.687 5.878 -5.561 1.00 0.00 H new ATOM 0 HB2 ASN A 10 4.055 5.921 -8.116 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.548 6.811 -7.892 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.098 4.022 -9.397 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.578 5.702 -9.567 1.00 0.00 H new ATOM 142 N ALA A 11 4.264 7.640 -4.434 1.00 0.00 N ATOM 143 CA ALA A 11 3.879 8.927 -3.916 1.00 0.00 C ATOM 144 C ALA A 11 5.002 9.906 -4.199 1.00 0.00 C ATOM 145 O ALA A 11 4.805 11.129 -4.196 1.00 0.00 O ATOM 146 CB ALA A 11 3.604 8.830 -2.426 1.00 0.00 C ATOM 0 H ALA A 11 4.612 6.994 -3.726 1.00 0.00 H new ATOM 0 HA ALA A 11 2.964 9.272 -4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.314 9.809 -2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.797 8.119 -2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.504 8.493 -1.911 1.00 0.00 H new ATOM 152 N TYR A 12 6.185 9.337 -4.440 1.00 0.00 N ATOM 153 CA TYR A 12 7.354 10.082 -4.817 1.00 0.00 C ATOM 154 C TYR A 12 7.279 10.422 -6.282 1.00 0.00 C ATOM 155 O TYR A 12 6.862 9.607 -7.112 1.00 0.00 O ATOM 156 CB TYR A 12 8.656 9.301 -4.555 1.00 0.00 C ATOM 157 CG TYR A 12 9.073 9.180 -3.108 1.00 0.00 C ATOM 158 CD1 TYR A 12 9.851 10.169 -2.519 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.713 8.081 -2.337 1.00 0.00 C ATOM 160 CE1 TYR A 12 10.254 10.072 -1.206 1.00 0.00 C ATOM 161 CE2 TYR A 12 9.115 7.976 -1.018 1.00 0.00 C ATOM 162 CZ TYR A 12 9.885 8.977 -0.459 1.00 0.00 C ATOM 163 OH TYR A 12 10.283 8.886 0.856 1.00 0.00 O ATOM 0 H TYR A 12 6.344 8.332 -4.374 1.00 0.00 H new ATOM 0 HA TYR A 12 7.375 10.985 -4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.544 8.298 -4.966 1.00 0.00 H new ATOM 0 HB3 TYR A 12 9.463 9.783 -5.107 1.00 0.00 H new ATOM 0 HD1 TYR A 12 10.145 11.030 -3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.111 7.298 -2.774 1.00 0.00 H new ATOM 0 HE1 TYR A 12 10.857 10.852 -0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.829 7.117 -0.429 1.00 0.00 H new ATOM 0 HH TYR A 12 9.940 8.054 1.245 1.00 0.00 H new ATOM 173 N ILE A 13 7.639 11.608 -6.591 1.00 0.00 N ATOM 174 CA ILE A 13 7.674 12.057 -7.925 1.00 0.00 C ATOM 175 C ILE A 13 9.002 12.623 -8.281 1.00 0.00 C ATOM 176 O ILE A 13 9.676 13.261 -7.464 1.00 0.00 O ATOM 177 CB ILE A 13 6.557 13.051 -8.262 1.00 0.00 C ATOM 178 CG1 ILE A 13 6.429 14.149 -7.187 1.00 0.00 C ATOM 179 CG2 ILE A 13 5.261 12.319 -8.505 1.00 0.00 C ATOM 180 CD1 ILE A 13 5.310 15.137 -7.425 1.00 0.00 C ATOM 0 H ILE A 13 7.924 12.309 -5.907 1.00 0.00 H new ATOM 0 HA ILE A 13 7.500 11.170 -8.534 1.00 0.00 H new ATOM 0 HB ILE A 13 6.818 13.567 -9.186 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.276 13.674 -6.218 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.371 14.694 -7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.477 13.037 -8.743 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.385 11.627 -9.338 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.984 11.763 -7.609 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.296 15.872 -6.620 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.469 15.644 -8.376 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.357 14.608 -7.451 1.00 0.00 H new ATOM 192 N TYR A 14 9.369 12.339 -9.478 1.00 0.00 N ATOM 193 CA TYR A 14 10.564 12.779 -10.095 1.00 0.00 C ATOM 194 C TYR A 14 10.352 14.166 -10.563 1.00 0.00 C ATOM 195 O TYR A 14 9.399 14.426 -11.279 1.00 0.00 O ATOM 196 CB TYR A 14 10.860 11.848 -11.290 1.00 0.00 C ATOM 197 CG TYR A 14 11.799 12.385 -12.352 1.00 0.00 C ATOM 198 CD1 TYR A 14 13.175 12.291 -12.221 1.00 0.00 C ATOM 199 CD2 TYR A 14 11.284 12.963 -13.515 1.00 0.00 C ATOM 200 CE1 TYR A 14 14.009 12.755 -13.215 1.00 0.00 C ATOM 201 CE2 TYR A 14 12.106 13.434 -14.504 1.00 0.00 C ATOM 202 CZ TYR A 14 13.470 13.327 -14.352 1.00 0.00 C ATOM 203 OH TYR A 14 14.301 13.774 -15.344 1.00 0.00 O ATOM 0 H TYR A 14 8.803 11.754 -10.092 1.00 0.00 H new ATOM 0 HA TYR A 14 11.406 12.754 -9.403 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.279 10.919 -10.903 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.913 11.596 -11.768 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.598 11.850 -11.331 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.214 13.040 -13.637 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.080 12.672 -13.106 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.689 13.884 -15.393 1.00 0.00 H new ATOM 0 HH TYR A 14 13.766 14.148 -16.075 1.00 0.00 H new ATOM 213 N ILE A 15 11.171 15.045 -10.122 1.00 0.00 N ATOM 214 CA ILE A 15 11.134 16.377 -10.598 1.00 0.00 C ATOM 215 C ILE A 15 12.452 16.614 -11.276 1.00 0.00 C ATOM 216 O ILE A 15 13.491 16.711 -10.624 1.00 0.00 O ATOM 217 CB ILE A 15 10.953 17.398 -9.472 1.00 0.00 C ATOM 218 CG1 ILE A 15 9.848 16.940 -8.507 1.00 0.00 C ATOM 219 CG2 ILE A 15 10.576 18.736 -10.105 1.00 0.00 C ATOM 220 CD1 ILE A 15 9.763 17.757 -7.241 1.00 0.00 C ATOM 0 H ILE A 15 11.888 14.862 -9.420 1.00 0.00 H new ATOM 0 HA ILE A 15 10.284 16.503 -11.269 1.00 0.00 H new ATOM 0 HB ILE A 15 11.877 17.495 -8.903 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.888 16.985 -9.022 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.019 15.896 -8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.441 19.483 -9.323 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.370 19.056 -10.779 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.648 18.625 -10.665 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.960 17.372 -6.613 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.708 17.692 -6.702 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.559 18.798 -7.493 1.00 0.00 H new ATOM 232 N GLY A 16 12.431 16.632 -12.556 1.00 0.00 N ATOM 233 CA GLY A 16 13.638 16.773 -13.289 1.00 0.00 C ATOM 234 C GLY A 16 13.682 18.049 -14.050 1.00 0.00 C ATOM 235 O GLY A 16 12.658 18.744 -14.167 1.00 0.00 O ATOM 0 H GLY A 16 11.587 16.551 -13.124 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.485 16.730 -12.604 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.743 15.936 -13.979 1.00 0.00 H new ATOM 239 N ASN A 17 14.870 18.361 -14.540 1.00 0.00 N ATOM 240 CA ASN A 17 15.151 19.529 -15.370 1.00 0.00 C ATOM 241 C ASN A 17 14.989 20.808 -14.540 1.00 0.00 C ATOM 242 O ASN A 17 14.584 21.854 -15.029 1.00 0.00 O ATOM 243 CB ASN A 17 14.272 19.514 -16.656 1.00 0.00 C ATOM 244 CG ASN A 17 14.793 20.427 -17.768 1.00 0.00 C ATOM 245 OD1 ASN A 17 15.651 20.032 -18.553 1.00 0.00 O ATOM 246 ND2 ASN A 17 14.248 21.607 -17.886 1.00 0.00 N ATOM 0 H ASN A 17 15.697 17.790 -14.367 1.00 0.00 H new ATOM 0 HA ASN A 17 16.186 19.499 -15.711 1.00 0.00 H new ATOM 0 HB2 ASN A 17 14.214 18.493 -17.034 1.00 0.00 H new ATOM 0 HB3 ASN A 17 13.258 19.816 -16.396 1.00 0.00 H new ATOM 0 HD21 ASN A 17 14.533 22.227 -18.645 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.537 21.910 -17.220 1.00 0.00 H new ATOM 253 N LEU A 18 15.362 20.709 -13.271 1.00 0.00 N ATOM 254 CA LEU A 18 15.342 21.850 -12.377 1.00 0.00 C ATOM 255 C LEU A 18 16.564 22.711 -12.599 1.00 0.00 C ATOM 256 O LEU A 18 17.577 22.255 -13.152 1.00 0.00 O ATOM 257 CB LEU A 18 15.266 21.430 -10.906 1.00 0.00 C ATOM 258 CG LEU A 18 13.946 20.835 -10.428 1.00 0.00 C ATOM 259 CD1 LEU A 18 14.084 20.349 -9.007 1.00 0.00 C ATOM 260 CD2 LEU A 18 12.831 21.864 -10.519 1.00 0.00 C ATOM 0 H LEU A 18 15.683 19.843 -12.839 1.00 0.00 H new ATOM 0 HA LEU A 18 14.443 22.422 -12.606 1.00 0.00 H new ATOM 0 HB2 LEU A 18 16.054 20.701 -10.720 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.487 22.303 -10.292 1.00 0.00 H new ATOM 0 HG LEU A 18 13.693 19.992 -11.071 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.137 19.926 -8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.860 19.585 -8.957 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.355 21.184 -8.361 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.897 21.420 -10.174 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.077 22.723 -9.895 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.718 22.187 -11.554 1.00 0.00 H new ATOM 272 N ASN A 19 16.470 23.933 -12.174 1.00 0.00 N ATOM 273 CA ASN A 19 17.525 24.895 -12.347 1.00 0.00 C ATOM 274 C ASN A 19 18.400 24.866 -11.086 1.00 0.00 C ATOM 275 O ASN A 19 17.982 24.297 -10.072 1.00 0.00 O ATOM 276 CB ASN A 19 16.898 26.271 -12.609 1.00 0.00 C ATOM 277 CG ASN A 19 17.722 27.120 -13.550 1.00 0.00 C ATOM 278 OD1 ASN A 19 18.479 26.598 -14.364 1.00 0.00 O ATOM 279 ND2 ASN A 19 17.529 28.407 -13.505 1.00 0.00 N ATOM 0 H ASN A 19 15.650 24.299 -11.691 1.00 0.00 H new ATOM 0 HA ASN A 19 18.160 24.663 -13.202 1.00 0.00 H new ATOM 0 HB2 ASN A 19 15.900 26.137 -13.027 1.00 0.00 H new ATOM 0 HB3 ASN A 19 16.779 26.797 -11.662 1.00 0.00 H new ATOM 0 HD21 ASN A 19 18.015 29.019 -14.161 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.892 28.803 -12.814 1.00 0.00 H new ATOM 286 N ARG A 20 19.568 25.475 -11.125 1.00 0.00 N ATOM 287 CA ARG A 20 20.552 25.315 -10.042 1.00 0.00 C ATOM 288 C ARG A 20 20.141 26.028 -8.753 1.00 0.00 C ATOM 289 O ARG A 20 20.299 25.489 -7.660 1.00 0.00 O ATOM 290 CB ARG A 20 21.930 25.800 -10.492 1.00 0.00 C ATOM 291 CG ARG A 20 23.055 24.839 -10.181 1.00 0.00 C ATOM 292 CD ARG A 20 22.889 23.566 -10.989 1.00 0.00 C ATOM 293 NE ARG A 20 23.937 22.590 -10.738 1.00 0.00 N ATOM 294 CZ ARG A 20 24.101 21.473 -11.451 1.00 0.00 C ATOM 295 NH1 ARG A 20 23.351 21.249 -12.530 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 24.986 20.570 -11.071 1.00 0.00 N ATOM 0 H ARG A 20 19.870 26.085 -11.885 1.00 0.00 H new ATOM 0 HA ARG A 20 20.595 24.249 -9.818 1.00 0.00 H new ATOM 0 HB2 ARG A 20 21.907 25.980 -11.567 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.141 26.756 -10.013 1.00 0.00 H new ATOM 0 HG2 ARG A 20 24.014 25.303 -10.411 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.061 24.605 -9.116 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.922 23.119 -10.758 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.879 23.815 -12.050 1.00 0.00 H new ATOM 0 HE ARG A 20 24.586 22.769 -9.972 1.00 0.00 H new ATOM 0 HH11 ARG A 20 22.649 21.932 -12.814 1.00 0.00 H new ATOM 0 HH12 ARG A 20 23.479 20.394 -13.072 1.00 0.00 H new ATOM 0 HH21 ARG A 20 25.545 20.725 -10.232 1.00 0.00 H new ATOM 0 HH22 ARG A 20 25.111 19.717 -11.616 1.00 0.00 H new ATOM 310 N GLU A 21 19.584 27.200 -8.891 1.00 0.00 N ATOM 311 CA GLU A 21 19.191 28.023 -7.756 1.00 0.00 C ATOM 312 C GLU A 21 17.879 27.557 -7.094 1.00 0.00 C ATOM 313 O GLU A 21 17.426 28.154 -6.107 1.00 0.00 O ATOM 314 CB GLU A 21 19.136 29.531 -8.124 1.00 0.00 C ATOM 315 CG GLU A 21 18.366 29.890 -9.382 1.00 0.00 C ATOM 316 CD GLU A 21 19.136 29.651 -10.673 1.00 0.00 C ATOM 317 OE1 GLU A 21 19.199 28.502 -11.133 1.00 0.00 O1- ATOM 318 OE2 GLU A 21 19.691 30.619 -11.241 1.00 0.00 O ATOM 0 H GLU A 21 19.384 27.623 -9.797 1.00 0.00 H new ATOM 0 HA GLU A 21 19.975 27.892 -7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.694 30.071 -7.287 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.158 29.894 -8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.444 29.309 -9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.079 30.940 -9.332 1.00 0.00 H new ATOM 325 N LEU A 22 17.284 26.507 -7.628 1.00 0.00 N ATOM 326 CA LEU A 22 16.075 25.944 -7.064 1.00 0.00 C ATOM 327 C LEU A 22 16.410 25.010 -5.899 1.00 0.00 C ATOM 328 O LEU A 22 17.166 24.032 -6.044 1.00 0.00 O ATOM 329 CB LEU A 22 15.218 25.240 -8.136 1.00 0.00 C ATOM 330 CG LEU A 22 14.724 26.147 -9.278 1.00 0.00 C ATOM 331 CD1 LEU A 22 13.848 25.412 -10.252 1.00 0.00 C ATOM 332 CD2 LEU A 22 13.965 27.316 -8.729 1.00 0.00 C ATOM 0 H LEU A 22 17.624 26.024 -8.460 1.00 0.00 H new ATOM 0 HA LEU A 22 15.472 26.764 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.800 24.425 -8.566 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.352 24.791 -7.649 1.00 0.00 H new ATOM 0 HG LEU A 22 15.612 26.491 -9.809 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.525 26.095 -11.038 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.407 24.588 -10.694 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.974 25.020 -9.731 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.623 27.946 -9.550 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.104 26.958 -8.164 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.614 27.896 -8.073 1.00 0.00 H new ATOM 344 N THR A 23 15.884 25.360 -4.759 1.00 0.00 N ATOM 345 CA THR A 23 16.090 24.651 -3.509 1.00 0.00 C ATOM 346 C THR A 23 14.782 23.945 -3.072 1.00 0.00 C ATOM 347 O THR A 23 13.738 24.128 -3.704 1.00 0.00 O ATOM 348 CB THR A 23 16.594 25.665 -2.418 1.00 0.00 C ATOM 349 OG1 THR A 23 16.553 25.117 -1.094 1.00 0.00 O ATOM 350 CG2 THR A 23 15.781 26.924 -2.449 1.00 0.00 C ATOM 0 H THR A 23 15.277 26.174 -4.662 1.00 0.00 H new ATOM 0 HA THR A 23 16.848 23.879 -3.640 1.00 0.00 H new ATOM 0 HB THR A 23 17.634 25.883 -2.662 1.00 0.00 H new ATOM 0 HG1 THR A 23 15.683 25.310 -0.687 1.00 0.00 H new ATOM 0 HG21 THR A 23 16.146 27.612 -1.686 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.869 27.390 -3.430 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.735 26.687 -2.253 1.00 0.00 H new ATOM 358 N GLU A 24 14.837 23.180 -1.969 1.00 0.00 N ATOM 359 CA GLU A 24 13.706 22.412 -1.453 1.00 0.00 C ATOM 360 C GLU A 24 12.520 23.320 -1.168 1.00 0.00 C ATOM 361 O GLU A 24 11.384 23.004 -1.508 1.00 0.00 O ATOM 362 CB GLU A 24 14.075 21.675 -0.152 1.00 0.00 C ATOM 363 CG GLU A 24 15.280 20.738 -0.230 1.00 0.00 C ATOM 364 CD GLU A 24 16.636 21.436 -0.115 1.00 0.00 C ATOM 365 OE1 GLU A 24 16.684 22.677 0.117 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 17.671 20.760 -0.246 1.00 0.00 O ATOM 0 H GLU A 24 15.683 23.080 -1.408 1.00 0.00 H new ATOM 0 HA GLU A 24 13.442 21.684 -2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.268 22.419 0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.210 21.096 0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.199 19.996 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.243 20.197 -1.176 1.00 0.00 H new ATOM 373 N GLY A 25 12.810 24.473 -0.579 1.00 0.00 N ATOM 374 CA GLY A 25 11.768 25.425 -0.215 1.00 0.00 C ATOM 375 C GLY A 25 11.057 25.993 -1.422 1.00 0.00 C ATOM 376 O GLY A 25 9.884 26.347 -1.354 1.00 0.00 O ATOM 0 H GLY A 25 13.756 24.771 -0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.042 24.934 0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.209 26.239 0.360 1.00 0.00 H new ATOM 380 N ASP A 26 11.758 26.042 -2.525 1.00 0.00 N ATOM 381 CA ASP A 26 11.234 26.577 -3.776 1.00 0.00 C ATOM 382 C ASP A 26 10.244 25.591 -4.344 1.00 0.00 C ATOM 383 O ASP A 26 9.090 25.928 -4.656 1.00 0.00 O ATOM 384 CB ASP A 26 12.380 26.778 -4.752 1.00 0.00 C ATOM 385 CG ASP A 26 11.932 27.355 -6.052 1.00 0.00 C ATOM 386 OD1 ASP A 26 11.462 26.608 -6.907 1.00 0.00 O ATOM 387 OD2 ASP A 26 12.079 28.578 -6.224 1.00 0.00 O1- ATOM 0 H ASP A 26 12.720 25.710 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 26 10.741 27.534 -3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.123 27.437 -4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.870 25.821 -4.933 1.00 0.00 H new ATOM 392 N ILE A 27 10.690 24.357 -4.388 1.00 0.00 N ATOM 393 CA ILE A 27 9.906 23.226 -4.828 1.00 0.00 C ATOM 394 C ILE A 27 8.633 23.132 -3.976 1.00 0.00 C ATOM 395 O ILE A 27 7.536 22.935 -4.488 1.00 0.00 O ATOM 396 CB ILE A 27 10.754 21.942 -4.680 1.00 0.00 C ATOM 397 CG1 ILE A 27 12.015 22.067 -5.538 1.00 0.00 C ATOM 398 CG2 ILE A 27 9.958 20.711 -5.081 1.00 0.00 C ATOM 399 CD1 ILE A 27 13.073 21.056 -5.219 1.00 0.00 C ATOM 0 H ILE A 27 11.638 24.105 -4.110 1.00 0.00 H new ATOM 0 HA ILE A 27 9.620 23.345 -5.873 1.00 0.00 H new ATOM 0 HB ILE A 27 11.036 21.826 -3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.739 21.969 -6.588 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.431 23.066 -5.410 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.579 19.823 -4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.078 20.623 -4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.644 20.803 -6.121 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.933 21.212 -5.870 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.380 21.167 -4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.677 20.053 -5.375 1.00 0.00 H new ATOM 411 N LEU A 28 8.789 23.330 -2.679 1.00 0.00 N ATOM 412 CA LEU A 28 7.668 23.343 -1.767 1.00 0.00 C ATOM 413 C LEU A 28 6.710 24.481 -2.079 1.00 0.00 C ATOM 414 O LEU A 28 5.521 24.306 -1.989 1.00 0.00 O ATOM 415 CB LEU A 28 8.139 23.423 -0.319 1.00 0.00 C ATOM 416 CG LEU A 28 8.881 22.202 0.204 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.439 22.471 1.577 1.00 0.00 C ATOM 418 CD2 LEU A 28 7.954 21.004 0.245 1.00 0.00 C ATOM 0 H LEU A 28 9.693 23.485 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 28 7.130 22.405 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.789 24.292 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.271 23.597 0.317 1.00 0.00 H new ATOM 0 HG LEU A 28 9.709 21.986 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.966 21.587 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.131 23.312 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.624 22.709 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.497 20.137 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.112 21.218 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.586 20.794 -0.759 1.00 0.00 H new ATOM 430 N THR A 29 7.235 25.615 -2.492 1.00 0.00 N ATOM 431 CA THR A 29 6.428 26.786 -2.818 1.00 0.00 C ATOM 432 C THR A 29 5.468 26.489 -3.989 1.00 0.00 C ATOM 433 O THR A 29 4.290 26.866 -3.950 1.00 0.00 O ATOM 434 CB THR A 29 7.343 27.997 -3.152 1.00 0.00 C ATOM 435 OG1 THR A 29 8.177 28.280 -2.021 1.00 0.00 O ATOM 436 CG2 THR A 29 6.536 29.247 -3.503 1.00 0.00 C ATOM 0 H THR A 29 8.238 25.758 -2.614 1.00 0.00 H new ATOM 0 HA THR A 29 5.824 27.037 -1.946 1.00 0.00 H new ATOM 0 HB THR A 29 7.944 27.732 -4.022 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.862 27.584 -1.937 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.217 30.068 -3.729 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.911 29.044 -4.372 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.905 29.522 -2.658 1.00 0.00 H new ATOM 444 N VAL A 30 5.971 25.830 -5.019 1.00 0.00 N ATOM 445 CA VAL A 30 5.129 25.467 -6.154 1.00 0.00 C ATOM 446 C VAL A 30 4.289 24.190 -5.910 1.00 0.00 C ATOM 447 O VAL A 30 3.130 24.130 -6.288 1.00 0.00 O ATOM 448 CB VAL A 30 5.902 25.394 -7.512 1.00 0.00 C ATOM 449 CG1 VAL A 30 6.449 26.755 -7.887 1.00 0.00 C ATOM 450 CG2 VAL A 30 7.031 24.382 -7.470 1.00 0.00 C ATOM 0 H VAL A 30 6.945 25.537 -5.096 1.00 0.00 H new ATOM 0 HA VAL A 30 4.426 26.295 -6.244 1.00 0.00 H new ATOM 0 HB VAL A 30 5.188 25.069 -8.269 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.983 26.684 -8.834 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.626 27.463 -7.987 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.132 27.099 -7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.540 24.365 -8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.740 24.660 -6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.625 23.393 -7.256 1.00 0.00 H new ATOM 460 N PHE A 31 4.871 23.193 -5.249 1.00 0.00 N ATOM 461 CA PHE A 31 4.191 21.907 -5.040 1.00 0.00 C ATOM 462 C PHE A 31 3.152 21.904 -3.911 1.00 0.00 C ATOM 463 O PHE A 31 2.244 21.084 -3.930 1.00 0.00 O ATOM 464 CB PHE A 31 5.186 20.742 -4.853 1.00 0.00 C ATOM 465 CG PHE A 31 5.793 20.234 -6.138 1.00 0.00 C ATOM 466 CD1 PHE A 31 6.816 20.917 -6.760 1.00 0.00 C ATOM 467 CD2 PHE A 31 5.320 19.071 -6.728 1.00 0.00 C ATOM 468 CE1 PHE A 31 7.357 20.466 -7.944 1.00 0.00 C ATOM 469 CE2 PHE A 31 5.861 18.611 -7.911 1.00 0.00 C ATOM 470 CZ PHE A 31 6.878 19.312 -8.521 1.00 0.00 C ATOM 0 H PHE A 31 5.808 23.245 -4.848 1.00 0.00 H new ATOM 0 HA PHE A 31 3.634 21.754 -5.965 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.987 21.067 -4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.674 19.918 -4.356 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.200 21.821 -6.311 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.520 18.520 -6.256 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.156 21.017 -8.419 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.487 17.702 -8.359 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.299 18.957 -9.450 1.00 0.00 H new ATOM 480 N SER A 32 3.253 22.812 -2.945 1.00 0.00 N ATOM 481 CA SER A 32 2.297 22.818 -1.813 1.00 0.00 C ATOM 482 C SER A 32 0.899 23.268 -2.235 1.00 0.00 C ATOM 483 O SER A 32 -0.074 23.111 -1.501 1.00 0.00 O ATOM 484 CB SER A 32 2.818 23.656 -0.647 1.00 0.00 C ATOM 485 OG SER A 32 3.183 24.948 -1.073 1.00 0.00 O ATOM 0 H SER A 32 3.965 23.542 -2.910 1.00 0.00 H new ATOM 0 HA SER A 32 2.209 21.786 -1.473 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.051 23.727 0.124 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.679 23.162 -0.196 1.00 0.00 H new ATOM 0 HG SER A 32 4.132 24.956 -1.319 1.00 0.00 H new ATOM 491 N GLU A 33 0.812 23.791 -3.423 1.00 0.00 N ATOM 492 CA GLU A 33 -0.429 24.241 -3.980 1.00 0.00 C ATOM 493 C GLU A 33 -1.275 23.028 -4.377 1.00 0.00 C ATOM 494 O GLU A 33 -2.506 23.065 -4.367 1.00 0.00 O ATOM 495 CB GLU A 33 -0.102 25.088 -5.188 1.00 0.00 C ATOM 496 CG GLU A 33 -1.263 25.811 -5.804 1.00 0.00 C ATOM 497 CD GLU A 33 -0.810 26.735 -6.895 1.00 0.00 C ATOM 498 OE1 GLU A 33 0.390 27.138 -6.894 1.00 0.00 O1- ATOM 499 OE2 GLU A 33 -1.630 27.082 -7.753 1.00 0.00 O ATOM 0 H GLU A 33 1.613 23.919 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.999 24.828 -3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.650 25.823 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.349 24.449 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.972 25.088 -6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.789 26.380 -5.037 1.00 0.00 H new ATOM 506 N TYR A 34 -0.590 21.938 -4.662 1.00 0.00 N ATOM 507 CA TYR A 34 -1.220 20.723 -5.115 1.00 0.00 C ATOM 508 C TYR A 34 -1.336 19.698 -4.002 1.00 0.00 C ATOM 509 O TYR A 34 -1.745 18.567 -4.240 1.00 0.00 O ATOM 510 CB TYR A 34 -0.453 20.143 -6.300 1.00 0.00 C ATOM 511 CG TYR A 34 -0.539 20.987 -7.546 1.00 0.00 C ATOM 512 CD1 TYR A 34 0.330 22.047 -7.774 1.00 0.00 C ATOM 513 CD2 TYR A 34 -1.497 20.717 -8.493 1.00 0.00 C ATOM 514 CE1 TYR A 34 0.232 22.807 -8.922 1.00 0.00 C ATOM 515 CE2 TYR A 34 -1.604 21.465 -9.638 1.00 0.00 C ATOM 516 CZ TYR A 34 -0.741 22.508 -9.852 1.00 0.00 C ATOM 517 OH TYR A 34 -0.843 23.246 -11.007 1.00 0.00 O ATOM 0 H TYR A 34 0.425 21.875 -4.584 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.232 20.972 -5.433 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.594 20.026 -6.022 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.838 19.147 -6.519 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.091 22.279 -7.044 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.181 19.897 -8.332 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.912 23.629 -9.090 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.365 21.233 -10.368 1.00 0.00 H new ATOM 0 HH TYR A 34 0.042 23.583 -11.259 1.00 0.00 H new ATOM 527 N GLY A 35 -0.986 20.088 -2.794 1.00 0.00 N ATOM 528 CA GLY A 35 -1.105 19.176 -1.689 1.00 0.00 C ATOM 529 C GLY A 35 -0.068 19.405 -0.635 1.00 0.00 C ATOM 530 O GLY A 35 0.616 20.427 -0.634 1.00 0.00 O ATOM 0 H GLY A 35 -0.624 21.013 -2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.096 19.277 -1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.023 18.153 -2.057 1.00 0.00 H new ATOM 534 N VAL A 36 0.075 18.456 0.246 1.00 0.00 N ATOM 535 CA VAL A 36 1.007 18.572 1.339 1.00 0.00 C ATOM 536 C VAL A 36 2.126 17.549 1.189 1.00 0.00 C ATOM 537 O VAL A 36 1.883 16.340 1.278 1.00 0.00 O ATOM 538 CB VAL A 36 0.310 18.393 2.724 1.00 0.00 C ATOM 539 CG1 VAL A 36 1.321 18.486 3.867 1.00 0.00 C ATOM 540 CG2 VAL A 36 -0.778 19.440 2.910 1.00 0.00 C ATOM 0 H VAL A 36 -0.448 17.581 0.230 1.00 0.00 H new ATOM 0 HA VAL A 36 1.424 19.579 1.304 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.141 17.401 2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.806 18.358 4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.073 17.705 3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.806 19.462 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.254 19.301 3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.337 20.436 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.523 19.334 2.122 1.00 0.00 H new ATOM 550 N PRO A 37 3.343 18.008 0.875 1.00 0.00 N ATOM 551 CA PRO A 37 4.519 17.147 0.825 1.00 0.00 C ATOM 552 C PRO A 37 4.936 16.722 2.227 1.00 0.00 C ATOM 553 O PRO A 37 5.154 17.564 3.099 1.00 0.00 O ATOM 554 CB PRO A 37 5.602 18.047 0.204 1.00 0.00 C ATOM 555 CG PRO A 37 4.860 19.200 -0.376 1.00 0.00 C ATOM 556 CD PRO A 37 3.673 19.389 0.503 1.00 0.00 C ATOM 0 HA PRO A 37 4.344 16.231 0.261 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.319 18.377 0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.166 17.515 -0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.480 20.096 -0.397 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.559 18.997 -1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.904 20.002 1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.851 19.877 -0.021 1.00 0.00 H new ATOM 564 N VAL A 38 5.011 15.431 2.444 1.00 0.00 N ATOM 565 CA VAL A 38 5.423 14.898 3.733 1.00 0.00 C ATOM 566 C VAL A 38 6.900 14.554 3.690 1.00 0.00 C ATOM 567 O VAL A 38 7.564 14.430 4.719 1.00 0.00 O ATOM 568 CB VAL A 38 4.586 13.651 4.157 1.00 0.00 C ATOM 569 CG1 VAL A 38 3.131 14.027 4.327 1.00 0.00 C ATOM 570 CG2 VAL A 38 4.708 12.524 3.143 1.00 0.00 C ATOM 0 H VAL A 38 4.792 14.722 1.744 1.00 0.00 H new ATOM 0 HA VAL A 38 5.243 15.668 4.484 1.00 0.00 H new ATOM 0 HB VAL A 38 4.984 13.298 5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.560 13.147 4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.041 14.794 5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.742 14.412 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.112 11.673 3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.347 12.867 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.752 12.224 3.056 1.00 0.00 H new ATOM 580 N ASP A 39 7.401 14.412 2.479 1.00 0.00 N ATOM 581 CA ASP A 39 8.791 14.122 2.223 1.00 0.00 C ATOM 582 C ASP A 39 9.175 14.837 0.958 1.00 0.00 C ATOM 583 O ASP A 39 8.417 14.833 -0.010 1.00 0.00 O ATOM 584 CB ASP A 39 9.049 12.602 2.000 1.00 0.00 C ATOM 585 CG ASP A 39 8.906 11.689 3.206 1.00 0.00 C ATOM 586 OD1 ASP A 39 7.806 11.153 3.438 1.00 0.00 O ATOM 587 OD2 ASP A 39 9.913 11.398 3.875 1.00 0.00 O1- ATOM 0 H ASP A 39 6.840 14.497 1.632 1.00 0.00 H new ATOM 0 HA ASP A 39 9.372 14.442 3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.363 12.253 1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.058 12.485 1.606 1.00 0.00 H new ATOM 592 N VAL A 40 10.295 15.478 0.962 1.00 0.00 N ATOM 593 CA VAL A 40 10.831 16.083 -0.229 1.00 0.00 C ATOM 594 C VAL A 40 12.323 16.049 -0.117 1.00 0.00 C ATOM 595 O VAL A 40 12.860 16.171 0.974 1.00 0.00 O ATOM 596 CB VAL A 40 10.317 17.554 -0.508 1.00 0.00 C ATOM 597 CG1 VAL A 40 10.691 18.514 0.596 1.00 0.00 C ATOM 598 CG2 VAL A 40 10.836 18.078 -1.847 1.00 0.00 C ATOM 0 H VAL A 40 10.874 15.602 1.792 1.00 0.00 H new ATOM 0 HA VAL A 40 10.477 15.509 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 40 9.229 17.495 -0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.315 19.509 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.252 18.177 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.776 18.550 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.466 19.090 -2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.926 18.088 -1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.487 17.430 -2.651 1.00 0.00 H new ATOM 608 N ILE A 41 12.968 15.786 -1.197 1.00 0.00 N ATOM 609 CA ILE A 41 14.403 15.755 -1.242 1.00 0.00 C ATOM 610 C ILE A 41 14.890 16.301 -2.547 1.00 0.00 C ATOM 611 O ILE A 41 14.373 15.965 -3.615 1.00 0.00 O ATOM 612 CB ILE A 41 15.071 14.349 -0.968 1.00 0.00 C ATOM 613 CG1 ILE A 41 14.473 13.188 -1.804 1.00 0.00 C ATOM 614 CG2 ILE A 41 15.092 14.008 0.509 1.00 0.00 C ATOM 615 CD1 ILE A 41 13.102 12.682 -1.355 1.00 0.00 C ATOM 0 H ILE A 41 12.518 15.583 -2.089 1.00 0.00 H new ATOM 0 HA ILE A 41 14.717 16.383 -0.408 1.00 0.00 H new ATOM 0 HB ILE A 41 16.101 14.458 -1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.397 13.514 -2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.173 12.352 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.560 13.034 0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.660 14.765 1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 41 14.071 13.979 0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.781 11.872 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.167 12.317 -0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.379 13.496 -1.405 1.00 0.00 H new ATOM 627 N LEU A 42 15.840 17.146 -2.467 1.00 0.00 N ATOM 628 CA LEU A 42 16.416 17.746 -3.612 1.00 0.00 C ATOM 629 C LEU A 42 17.709 17.015 -3.866 1.00 0.00 C ATOM 630 O LEU A 42 18.540 16.879 -2.965 1.00 0.00 O ATOM 631 CB LEU A 42 16.596 19.275 -3.342 1.00 0.00 C ATOM 632 CG LEU A 42 17.148 20.207 -4.455 1.00 0.00 C ATOM 633 CD1 LEU A 42 18.626 20.057 -4.636 1.00 0.00 C ATOM 634 CD2 LEU A 42 16.447 19.966 -5.764 1.00 0.00 C ATOM 0 H LEU A 42 16.252 17.450 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 42 15.795 17.670 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 42 15.623 19.667 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.256 19.375 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 42 16.951 21.228 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 42 18.966 20.728 -5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.134 20.305 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.856 19.028 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.855 20.633 -6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.597 18.931 -6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.381 20.159 -5.647 1.00 0.00 H new ATOM 646 N SER A 43 17.861 16.492 -5.056 1.00 0.00 N ATOM 647 CA SER A 43 19.035 15.755 -5.388 1.00 0.00 C ATOM 648 C SER A 43 20.158 16.756 -5.553 1.00 0.00 C ATOM 649 O SER A 43 20.210 17.513 -6.530 1.00 0.00 O ATOM 650 CB SER A 43 18.812 14.917 -6.665 1.00 0.00 C ATOM 651 OG SER A 43 19.877 14.003 -6.902 1.00 0.00 O ATOM 0 H SER A 43 17.177 16.568 -5.809 1.00 0.00 H new ATOM 0 HA SER A 43 19.288 15.044 -4.601 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.876 14.366 -6.577 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.710 15.583 -7.522 1.00 0.00 H new ATOM 0 HG SER A 43 19.694 13.492 -7.718 1.00 0.00 H new ATOM 657 N ARG A 44 20.977 16.828 -4.551 1.00 0.00 N ATOM 658 CA ARG A 44 22.066 17.744 -4.499 1.00 0.00 C ATOM 659 C ARG A 44 23.311 17.009 -4.098 1.00 0.00 C ATOM 660 O ARG A 44 23.233 16.013 -3.371 1.00 0.00 O ATOM 661 CB ARG A 44 21.731 18.908 -3.541 1.00 0.00 C ATOM 662 CG ARG A 44 21.354 18.499 -2.118 1.00 0.00 C ATOM 663 CD ARG A 44 20.660 19.643 -1.368 1.00 0.00 C ATOM 664 NE ARG A 44 21.428 20.892 -1.409 1.00 0.00 N ATOM 665 CZ ARG A 44 20.961 22.107 -1.117 1.00 0.00 C ATOM 666 NH1 ARG A 44 19.734 22.291 -0.692 1.00 0.00 N1+ ATOM 667 NH2 ARG A 44 21.740 23.151 -1.255 1.00 0.00 N ATOM 0 H ARG A 44 20.902 16.234 -3.725 1.00 0.00 H new ATOM 0 HA ARG A 44 22.241 18.182 -5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.591 19.575 -3.493 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.907 19.480 -3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 44 20.695 17.632 -2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 44 22.250 18.198 -1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 44 19.675 19.812 -1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 44 20.505 19.350 -0.330 1.00 0.00 H new ATOM 0 HE ARG A 44 22.407 20.826 -1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 44 19.109 21.493 -0.577 1.00 0.00 H new ATOM 0 HH12 ARG A 44 19.405 23.232 -0.476 1.00 0.00 H new ATOM 0 HH21 ARG A 44 22.698 23.032 -1.584 1.00 0.00 H new ATOM 0 HH22 ARG A 44 21.388 24.082 -1.033 1.00 0.00 H new ATOM 681 N ASP A 45 24.430 17.461 -4.602 1.00 0.00 N ATOM 682 CA ASP A 45 25.728 16.826 -4.366 1.00 0.00 C ATOM 683 C ASP A 45 26.098 16.831 -2.877 1.00 0.00 C ATOM 684 O ASP A 45 25.753 17.745 -2.157 1.00 0.00 O ATOM 685 CB ASP A 45 26.808 17.519 -5.200 1.00 0.00 C ATOM 686 CG ASP A 45 28.179 16.934 -4.983 1.00 0.00 C ATOM 687 OD1 ASP A 45 28.517 15.901 -5.606 1.00 0.00 O ATOM 688 OD2 ASP A 45 28.947 17.484 -4.171 1.00 0.00 O1- ATOM 0 H ASP A 45 24.480 18.289 -5.196 1.00 0.00 H new ATOM 0 HA ASP A 45 25.657 15.783 -4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.549 17.444 -6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 45 26.827 18.580 -4.951 1.00 0.00 H new ATOM 693 N GLU A 46 26.796 15.811 -2.447 1.00 0.00 N ATOM 694 CA GLU A 46 27.152 15.609 -1.051 1.00 0.00 C ATOM 695 C GLU A 46 28.366 16.461 -0.617 1.00 0.00 C ATOM 696 O GLU A 46 28.524 16.786 0.561 1.00 0.00 O ATOM 697 CB GLU A 46 27.348 14.083 -0.834 1.00 0.00 C ATOM 698 CG GLU A 46 27.760 13.596 0.556 1.00 0.00 C ATOM 699 CD GLU A 46 29.253 13.610 0.772 1.00 0.00 C ATOM 700 OE1 GLU A 46 29.981 12.955 -0.024 1.00 0.00 O ATOM 701 OE2 GLU A 46 29.725 14.199 1.765 1.00 0.00 O1- ATOM 0 H GLU A 46 27.144 15.078 -3.065 1.00 0.00 H new ATOM 0 HA GLU A 46 26.349 15.960 -0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 46 26.414 13.587 -1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 46 28.101 13.740 -1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 46 27.284 14.224 1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 46 27.387 12.582 0.704 1.00 0.00 H new ATOM 708 N ASN A 47 29.165 16.874 -1.561 1.00 0.00 N ATOM 709 CA ASN A 47 30.380 17.615 -1.259 1.00 0.00 C ATOM 710 C ASN A 47 30.081 19.088 -1.220 1.00 0.00 C ATOM 711 O ASN A 47 30.186 19.734 -0.177 1.00 0.00 O ATOM 712 CB ASN A 47 31.468 17.356 -2.318 1.00 0.00 C ATOM 713 CG ASN A 47 31.954 15.925 -2.365 1.00 0.00 C ATOM 714 OD1 ASN A 47 32.933 15.567 -1.718 1.00 0.00 O ATOM 715 ND2 ASN A 47 31.289 15.097 -3.131 1.00 0.00 N ATOM 0 H ASN A 47 29.004 16.714 -2.555 1.00 0.00 H new ATOM 0 HA ASN A 47 30.746 17.278 -0.289 1.00 0.00 H new ATOM 0 HB2 ASN A 47 31.078 17.629 -3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 47 32.317 18.011 -2.119 1.00 0.00 H new ATOM 0 HD21 ASN A 47 31.581 14.122 -3.203 1.00 0.00 H new ATOM 0 HD22 ASN A 47 30.479 15.427 -3.656 1.00 0.00 H new ATOM 722 N THR A 48 29.634 19.600 -2.334 1.00 0.00 N ATOM 723 CA THR A 48 29.411 21.023 -2.480 1.00 0.00 C ATOM 724 C THR A 48 28.005 21.386 -2.030 1.00 0.00 C ATOM 725 O THR A 48 27.745 22.502 -1.591 1.00 0.00 O ATOM 726 CB THR A 48 29.712 21.496 -3.945 1.00 0.00 C ATOM 727 OG1 THR A 48 29.359 22.868 -4.161 1.00 0.00 O ATOM 728 CG2 THR A 48 29.027 20.616 -4.964 1.00 0.00 C ATOM 0 H THR A 48 29.413 19.051 -3.165 1.00 0.00 H new ATOM 0 HA THR A 48 30.108 21.556 -1.833 1.00 0.00 H new ATOM 0 HB THR A 48 30.790 21.407 -4.076 1.00 0.00 H new ATOM 0 HG1 THR A 48 29.566 23.117 -5.086 1.00 0.00 H new ATOM 0 HG21 THR A 48 29.258 20.974 -5.967 1.00 0.00 H new ATOM 0 HG22 THR A 48 29.379 19.590 -4.854 1.00 0.00 H new ATOM 0 HG23 THR A 48 27.949 20.648 -4.807 1.00 0.00 H new ATOM 736 N GLY A 49 27.113 20.419 -2.096 1.00 0.00 N ATOM 737 CA GLY A 49 25.766 20.638 -1.657 1.00 0.00 C ATOM 738 C GLY A 49 24.942 21.408 -2.641 1.00 0.00 C ATOM 739 O GLY A 49 23.956 22.014 -2.269 1.00 0.00 O ATOM 0 H GLY A 49 27.303 19.481 -2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 49 25.291 19.675 -1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.783 21.175 -0.708 1.00 0.00 H new ATOM 743 N GLU A 50 25.317 21.374 -3.895 1.00 0.00 N ATOM 744 CA GLU A 50 24.583 22.110 -4.895 1.00 0.00 C ATOM 745 C GLU A 50 23.643 21.187 -5.651 1.00 0.00 C ATOM 746 O GLU A 50 23.921 19.981 -5.785 1.00 0.00 O ATOM 747 CB GLU A 50 25.531 22.895 -5.819 1.00 0.00 C ATOM 748 CG GLU A 50 26.485 22.066 -6.663 1.00 0.00 C ATOM 749 CD GLU A 50 26.146 22.066 -8.131 1.00 0.00 C ATOM 750 OE1 GLU A 50 25.659 23.100 -8.648 1.00 0.00 O1- ATOM 751 OE2 GLU A 50 26.400 21.051 -8.813 1.00 0.00 O ATOM 0 H GLU A 50 26.119 20.850 -4.246 1.00 0.00 H new ATOM 0 HA GLU A 50 23.962 22.856 -4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 50 24.927 23.509 -6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 50 26.120 23.577 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.498 22.447 -6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 50 26.482 21.039 -6.298 1.00 0.00 H new ATOM 758 N SER A 51 22.523 21.734 -6.068 1.00 0.00 N ATOM 759 CA SER A 51 21.476 21.022 -6.773 1.00 0.00 C ATOM 760 C SER A 51 21.999 20.333 -8.041 1.00 0.00 C ATOM 761 O SER A 51 22.742 20.913 -8.787 1.00 0.00 O ATOM 762 CB SER A 51 20.392 22.034 -7.138 1.00 0.00 C ATOM 763 OG SER A 51 20.021 22.784 -5.989 1.00 0.00 O ATOM 0 H SER A 51 22.307 22.720 -5.922 1.00 0.00 H new ATOM 0 HA SER A 51 21.082 20.236 -6.128 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.755 22.703 -7.918 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.521 21.517 -7.542 1.00 0.00 H new ATOM 0 HG SER A 51 19.113 23.133 -6.105 1.00 0.00 H new ATOM 769 N GLN A 52 21.602 19.085 -8.252 1.00 0.00 N ATOM 770 CA GLN A 52 21.976 18.336 -9.461 1.00 0.00 C ATOM 771 C GLN A 52 20.997 18.665 -10.583 1.00 0.00 C ATOM 772 O GLN A 52 21.205 18.301 -11.742 1.00 0.00 O ATOM 773 CB GLN A 52 21.912 16.821 -9.199 1.00 0.00 C ATOM 774 CG GLN A 52 22.844 16.295 -8.112 1.00 0.00 C ATOM 775 CD GLN A 52 24.311 16.291 -8.496 1.00 0.00 C ATOM 776 OE1 GLN A 52 24.784 17.115 -9.275 1.00 0.00 O ATOM 777 NE2 GLN A 52 25.032 15.334 -7.983 1.00 0.00 N ATOM 0 H GLN A 52 21.017 18.561 -7.601 1.00 0.00 H new ATOM 0 HA GLN A 52 22.992 18.617 -9.739 1.00 0.00 H new ATOM 0 HB2 GLN A 52 20.888 16.561 -8.930 1.00 0.00 H new ATOM 0 HB3 GLN A 52 22.140 16.301 -10.129 1.00 0.00 H new ATOM 0 HG2 GLN A 52 22.717 16.902 -7.216 1.00 0.00 H new ATOM 0 HG3 GLN A 52 22.545 15.279 -7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 52 24.609 14.666 -7.339 1.00 0.00 H new ATOM 0 HE22 GLN A 52 26.019 15.253 -8.226 1.00 0.00 H new ATOM 786 N GLY A 53 19.921 19.342 -10.221 1.00 0.00 N ATOM 787 CA GLY A 53 18.889 19.668 -11.172 1.00 0.00 C ATOM 788 C GLY A 53 17.772 18.639 -11.172 1.00 0.00 C ATOM 789 O GLY A 53 16.971 18.573 -12.114 1.00 0.00 O ATOM 0 H GLY A 53 19.745 19.674 -9.273 1.00 0.00 H new ATOM 0 HA2 GLY A 53 18.478 20.650 -10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 53 19.323 19.733 -12.170 1.00 0.00 H new ATOM 793 N PHE A 54 17.724 17.837 -10.120 1.00 0.00 N ATOM 794 CA PHE A 54 16.712 16.806 -9.955 1.00 0.00 C ATOM 795 C PHE A 54 16.205 16.858 -8.530 1.00 0.00 C ATOM 796 O PHE A 54 16.938 17.270 -7.632 1.00 0.00 O ATOM 797 CB PHE A 54 17.297 15.397 -10.189 1.00 0.00 C ATOM 798 CG PHE A 54 17.881 15.141 -11.547 1.00 0.00 C ATOM 799 CD1 PHE A 54 17.089 14.663 -12.568 1.00 0.00 C ATOM 800 CD2 PHE A 54 19.229 15.355 -11.791 1.00 0.00 C ATOM 801 CE1 PHE A 54 17.620 14.407 -13.810 1.00 0.00 C ATOM 802 CE2 PHE A 54 19.770 15.099 -13.033 1.00 0.00 C ATOM 803 CZ PHE A 54 18.964 14.624 -14.047 1.00 0.00 C ATOM 0 H PHE A 54 18.392 17.884 -9.350 1.00 0.00 H new ATOM 0 HA PHE A 54 15.919 16.988 -10.680 1.00 0.00 H new ATOM 0 HB2 PHE A 54 18.072 15.219 -9.443 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.509 14.665 -10.011 1.00 0.00 H new ATOM 0 HD1 PHE A 54 16.038 14.487 -12.391 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.862 15.726 -10.999 1.00 0.00 H new ATOM 0 HE1 PHE A 54 16.986 14.036 -14.602 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.821 15.270 -13.212 1.00 0.00 H new ATOM 0 HZ PHE A 54 19.382 14.423 -15.022 1.00 0.00 H new ATOM 813 N ALA A 55 14.985 16.460 -8.323 1.00 0.00 N ATOM 814 CA ALA A 55 14.409 16.371 -7.002 1.00 0.00 C ATOM 815 C ALA A 55 13.406 15.245 -6.960 1.00 0.00 C ATOM 816 O ALA A 55 13.005 14.715 -8.008 1.00 0.00 O ATOM 817 CB ALA A 55 13.741 17.676 -6.604 1.00 0.00 C ATOM 0 H ALA A 55 14.349 16.183 -9.071 1.00 0.00 H new ATOM 0 HA ALA A 55 15.211 16.173 -6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.317 17.578 -5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.479 18.478 -6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.947 17.910 -7.314 1.00 0.00 H new ATOM 823 N TYR A 56 13.032 14.867 -5.772 1.00 0.00 N ATOM 824 CA TYR A 56 12.045 13.849 -5.539 1.00 0.00 C ATOM 825 C TYR A 56 11.116 14.387 -4.471 1.00 0.00 C ATOM 826 O TYR A 56 11.579 14.851 -3.426 1.00 0.00 O ATOM 827 CB TYR A 56 12.692 12.556 -5.012 1.00 0.00 C ATOM 828 CG TYR A 56 13.862 12.021 -5.818 1.00 0.00 C ATOM 829 CD1 TYR A 56 13.653 11.243 -6.934 1.00 0.00 C ATOM 830 CD2 TYR A 56 15.178 12.285 -5.438 1.00 0.00 C ATOM 831 CE1 TYR A 56 14.710 10.738 -7.661 1.00 0.00 C ATOM 832 CE2 TYR A 56 16.243 11.781 -6.156 1.00 0.00 C ATOM 833 CZ TYR A 56 16.003 11.008 -7.267 1.00 0.00 C ATOM 834 OH TYR A 56 17.061 10.492 -7.990 1.00 0.00 O ATOM 0 H TYR A 56 13.414 15.268 -4.915 1.00 0.00 H new ATOM 0 HA TYR A 56 11.527 13.614 -6.469 1.00 0.00 H new ATOM 0 HB2 TYR A 56 13.030 12.733 -3.991 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.925 11.783 -4.965 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.642 11.024 -7.246 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.367 12.895 -4.567 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.526 10.133 -8.536 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.256 11.992 -5.848 1.00 0.00 H new ATOM 0 HH TYR A 56 17.906 10.776 -7.582 1.00 0.00 H new ATOM 844 N LEU A 57 9.848 14.376 -4.712 1.00 0.00 N ATOM 845 CA LEU A 57 8.922 14.873 -3.724 1.00 0.00 C ATOM 846 C LEU A 57 7.827 13.861 -3.495 1.00 0.00 C ATOM 847 O LEU A 57 7.459 13.154 -4.393 1.00 0.00 O ATOM 848 CB LEU A 57 8.387 16.263 -4.139 1.00 0.00 C ATOM 849 CG LEU A 57 7.494 17.012 -3.132 1.00 0.00 C ATOM 850 CD1 LEU A 57 7.613 18.496 -3.359 1.00 0.00 C ATOM 851 CD2 LEU A 57 6.043 16.612 -3.294 1.00 0.00 C ATOM 0 H LEU A 57 9.422 14.034 -5.573 1.00 0.00 H new ATOM 0 HA LEU A 57 9.433 15.011 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.243 16.898 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.823 16.144 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 57 7.825 16.753 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.981 19.025 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.650 18.803 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.295 18.736 -4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.433 17.155 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.710 16.853 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.940 15.540 -3.124 1.00 0.00 H new ATOM 863 N LYS A 58 7.356 13.778 -2.292 1.00 0.00 N ATOM 864 CA LYS A 58 6.329 12.851 -1.920 1.00 0.00 C ATOM 865 C LYS A 58 5.234 13.553 -1.134 1.00 0.00 C ATOM 866 O LYS A 58 5.478 14.115 -0.044 1.00 0.00 O ATOM 867 CB LYS A 58 6.949 11.742 -1.086 1.00 0.00 C ATOM 868 CG LYS A 58 5.965 10.867 -0.335 1.00 0.00 C ATOM 869 CD LYS A 58 6.690 9.982 0.643 1.00 0.00 C ATOM 870 CE LYS A 58 5.752 9.382 1.648 1.00 0.00 C ATOM 871 NZ LYS A 58 6.497 8.740 2.746 1.00 0.00 N1+ ATOM 0 H LYS A 58 7.680 14.364 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 58 5.879 12.428 -2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.546 11.108 -1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.633 12.191 -0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.244 11.491 0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.401 10.256 -1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.203 9.186 0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.455 10.561 1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.100 10.157 2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.111 8.648 1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.827 8.347 3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.088 7.975 2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.103 9.445 3.213 1.00 0.00 H new ATOM 885 N TYR A 59 4.061 13.569 -1.703 1.00 0.00 N ATOM 886 CA TYR A 59 2.888 14.087 -1.038 1.00 0.00 C ATOM 887 C TYR A 59 2.360 13.088 -0.024 1.00 0.00 C ATOM 888 O TYR A 59 2.750 11.914 -0.021 1.00 0.00 O ATOM 889 CB TYR A 59 1.775 14.378 -2.040 1.00 0.00 C ATOM 890 CG TYR A 59 1.998 15.557 -2.944 1.00 0.00 C ATOM 891 CD1 TYR A 59 2.672 15.435 -4.147 1.00 0.00 C ATOM 892 CD2 TYR A 59 1.495 16.790 -2.604 1.00 0.00 C ATOM 893 CE1 TYR A 59 2.830 16.521 -4.981 1.00 0.00 C ATOM 894 CE2 TYR A 59 1.655 17.874 -3.423 1.00 0.00 C ATOM 895 CZ TYR A 59 2.319 17.740 -4.606 1.00 0.00 C ATOM 896 OH TYR A 59 2.449 18.825 -5.428 1.00 0.00 O ATOM 0 H TYR A 59 3.886 13.222 -2.646 1.00 0.00 H new ATOM 0 HA TYR A 59 3.184 15.009 -0.537 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.629 13.493 -2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.849 14.538 -1.488 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.079 14.477 -4.436 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.963 16.905 -1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.351 16.415 -5.921 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.256 18.835 -3.133 1.00 0.00 H new ATOM 0 HH TYR A 59 2.520 19.639 -4.887 1.00 0.00 H new ATOM 906 N GLU A 60 1.501 13.574 0.844 1.00 0.00 N ATOM 907 CA GLU A 60 0.783 12.750 1.801 1.00 0.00 C ATOM 908 C GLU A 60 -0.159 11.818 1.040 1.00 0.00 C ATOM 909 O GLU A 60 -0.330 10.627 1.368 1.00 0.00 O ATOM 910 CB GLU A 60 -0.052 13.667 2.702 1.00 0.00 C ATOM 911 CG GLU A 60 -0.908 12.937 3.710 1.00 0.00 C ATOM 912 CD GLU A 60 -1.831 13.856 4.455 1.00 0.00 C ATOM 913 OE1 GLU A 60 -2.899 14.210 3.908 1.00 0.00 O ATOM 914 OE2 GLU A 60 -1.525 14.234 5.600 1.00 0.00 O1- ATOM 0 H GLU A 60 1.276 14.567 0.909 1.00 0.00 H new ATOM 0 HA GLU A 60 1.483 12.167 2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.618 14.343 3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.696 14.284 2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.495 12.175 3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.264 12.420 4.421 1.00 0.00 H new ATOM 921 N ASP A 61 -0.749 12.372 0.023 1.00 0.00 N ATOM 922 CA ASP A 61 -1.711 11.694 -0.787 1.00 0.00 C ATOM 923 C ASP A 61 -1.191 11.527 -2.219 1.00 0.00 C ATOM 924 O ASP A 61 -0.779 12.495 -2.858 1.00 0.00 O ATOM 925 CB ASP A 61 -3.020 12.473 -0.755 1.00 0.00 C ATOM 926 CG ASP A 61 -4.019 11.966 -1.732 1.00 0.00 C ATOM 927 OD1 ASP A 61 -4.790 11.033 -1.403 1.00 0.00 O1- ATOM 928 OD2 ASP A 61 -4.042 12.465 -2.837 1.00 0.00 O ATOM 0 H ASP A 61 -0.569 13.332 -0.272 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.886 10.693 -0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.443 12.422 0.248 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.817 13.524 -0.963 1.00 0.00 H new ATOM 933 N GLN A 62 -1.238 10.301 -2.725 1.00 0.00 N ATOM 934 CA GLN A 62 -0.707 9.982 -4.055 1.00 0.00 C ATOM 935 C GLN A 62 -1.574 10.569 -5.185 1.00 0.00 C ATOM 936 O GLN A 62 -1.108 10.784 -6.295 1.00 0.00 O ATOM 937 CB GLN A 62 -0.506 8.464 -4.224 1.00 0.00 C ATOM 938 CG GLN A 62 0.000 8.052 -5.609 1.00 0.00 C ATOM 939 CD GLN A 62 0.290 6.573 -5.747 1.00 0.00 C ATOM 940 OE1 GLN A 62 -0.369 5.755 -4.967 1.00 0.00 O flip ATOM 941 NE2 GLN A 62 1.129 6.172 -6.538 1.00 0.00 N flip ATOM 0 H GLN A 62 -1.640 9.502 -2.234 1.00 0.00 H new ATOM 0 HA GLN A 62 0.270 10.458 -4.133 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.202 8.116 -3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.452 7.959 -4.029 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.742 8.337 -6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.908 8.612 -5.833 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.627 6.834 -7.133 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.332 5.175 -6.604 1.00 0.00 H new ATOM 950 N ARG A 63 -2.803 10.882 -4.887 1.00 0.00 N ATOM 951 CA ARG A 63 -3.697 11.464 -5.880 1.00 0.00 C ATOM 952 C ARG A 63 -3.294 12.919 -6.101 1.00 0.00 C ATOM 953 O ARG A 63 -3.435 13.464 -7.192 1.00 0.00 O ATOM 954 CB ARG A 63 -5.126 11.388 -5.383 1.00 0.00 C ATOM 955 CG ARG A 63 -5.620 9.984 -5.131 1.00 0.00 C ATOM 956 CD ARG A 63 -6.631 9.959 -4.002 1.00 0.00 C ATOM 957 NE ARG A 63 -7.721 10.924 -4.175 1.00 0.00 N ATOM 958 CZ ARG A 63 -8.042 11.873 -3.271 1.00 0.00 C ATOM 959 NH1 ARG A 63 -7.250 12.095 -2.223 1.00 0.00 N1+ ATOM 960 NH2 ARG A 63 -9.121 12.626 -3.444 1.00 0.00 N ATOM 0 H ARG A 63 -3.221 10.748 -3.966 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.626 10.916 -6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.209 11.961 -4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.779 11.865 -6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.073 9.586 -6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.778 9.337 -4.885 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.052 8.957 -3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.120 10.164 -3.062 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.271 10.875 -5.032 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.398 11.547 -2.102 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.495 12.813 -1.541 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.713 12.489 -4.264 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.359 13.342 -2.757 1.00 0.00 H new ATOM 974 N SER A 64 -2.690 13.494 -5.079 1.00 0.00 N ATOM 975 CA SER A 64 -2.262 14.870 -5.108 1.00 0.00 C ATOM 976 C SER A 64 -0.987 14.902 -5.918 1.00 0.00 C ATOM 977 O SER A 64 -0.730 15.813 -6.713 1.00 0.00 O ATOM 978 CB SER A 64 -2.005 15.352 -3.679 1.00 0.00 C ATOM 979 OG SER A 64 -3.114 15.057 -2.818 1.00 0.00 O ATOM 0 H SER A 64 -2.484 13.013 -4.203 1.00 0.00 H new ATOM 0 HA SER A 64 -3.016 15.522 -5.549 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.104 14.877 -3.290 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.822 16.427 -3.684 1.00 0.00 H new ATOM 0 HG SER A 64 -3.388 14.125 -2.945 1.00 0.00 H new ATOM 985 N THR A 65 -0.227 13.846 -5.722 1.00 0.00 N ATOM 986 CA THR A 65 0.945 13.548 -6.455 1.00 0.00 C ATOM 987 C THR A 65 0.618 13.521 -7.970 1.00 0.00 C ATOM 988 O THR A 65 1.267 14.200 -8.759 1.00 0.00 O ATOM 989 CB THR A 65 1.456 12.175 -5.953 1.00 0.00 C ATOM 990 OG1 THR A 65 2.007 12.268 -4.633 1.00 0.00 O ATOM 991 CG2 THR A 65 2.415 11.537 -6.875 1.00 0.00 C ATOM 0 H THR A 65 -0.436 13.149 -5.007 1.00 0.00 H new ATOM 0 HA THR A 65 1.718 14.303 -6.308 1.00 0.00 H new ATOM 0 HB THR A 65 0.579 11.529 -5.918 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.895 11.855 -4.620 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.733 10.579 -6.463 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.938 11.376 -7.842 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.283 12.184 -7.002 1.00 0.00 H new ATOM 999 N ILE A 66 -0.445 12.798 -8.332 1.00 0.00 N ATOM 1000 CA ILE A 66 -0.881 12.666 -9.728 1.00 0.00 C ATOM 1001 C ILE A 66 -1.255 14.035 -10.327 1.00 0.00 C ATOM 1002 O ILE A 66 -0.873 14.363 -11.463 1.00 0.00 O ATOM 1003 CB ILE A 66 -2.088 11.688 -9.845 1.00 0.00 C ATOM 1004 CG1 ILE A 66 -1.691 10.303 -9.320 1.00 0.00 C ATOM 1005 CG2 ILE A 66 -2.575 11.587 -11.293 1.00 0.00 C ATOM 1006 CD1 ILE A 66 -2.834 9.319 -9.217 1.00 0.00 C ATOM 0 H ILE A 66 -1.028 12.288 -7.668 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.043 12.258 -10.294 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.907 12.079 -9.241 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.927 9.885 -9.976 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.238 10.418 -8.335 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.418 10.898 -11.346 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.888 12.571 -11.641 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.766 11.220 -11.924 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.462 8.367 -8.837 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.591 9.710 -8.537 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.275 9.169 -10.202 1.00 0.00 H new ATOM 1018 N LEU A 67 -1.963 14.843 -9.552 1.00 0.00 N ATOM 1019 CA LEU A 67 -2.378 16.158 -10.011 1.00 0.00 C ATOM 1020 C LEU A 67 -1.156 17.051 -10.277 1.00 0.00 C ATOM 1021 O LEU A 67 -1.148 17.851 -11.216 1.00 0.00 O ATOM 1022 CB LEU A 67 -3.332 16.815 -9.007 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.921 18.171 -9.426 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -4.750 18.044 -10.694 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -4.747 18.768 -8.301 1.00 0.00 C ATOM 0 H LEU A 67 -2.261 14.611 -8.605 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.918 16.035 -10.950 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.156 16.127 -8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.801 16.948 -8.064 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.091 18.845 -9.637 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.153 19.020 -10.965 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.122 17.674 -11.504 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.571 17.347 -10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.155 19.728 -8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.564 18.091 -8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.116 18.914 -7.424 1.00 0.00 H new ATOM 1037 N ALA A 68 -0.123 16.887 -9.471 1.00 0.00 N ATOM 1038 CA ALA A 68 1.112 17.626 -9.660 1.00 0.00 C ATOM 1039 C ALA A 68 1.820 17.150 -10.927 1.00 0.00 C ATOM 1040 O ALA A 68 2.315 17.966 -11.705 1.00 0.00 O ATOM 1041 CB ALA A 68 2.021 17.475 -8.457 1.00 0.00 C ATOM 0 H ALA A 68 -0.115 16.247 -8.677 1.00 0.00 H new ATOM 0 HA ALA A 68 0.868 18.683 -9.769 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.940 18.038 -8.622 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.516 17.857 -7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.262 16.422 -8.313 1.00 0.00 H new ATOM 1047 N VAL A 69 1.809 15.823 -11.140 1.00 0.00 N ATOM 1048 CA VAL A 69 2.432 15.174 -12.313 1.00 0.00 C ATOM 1049 C VAL A 69 1.895 15.753 -13.612 1.00 0.00 C ATOM 1050 O VAL A 69 2.623 15.910 -14.591 1.00 0.00 O ATOM 1051 CB VAL A 69 2.201 13.618 -12.316 1.00 0.00 C ATOM 1052 CG1 VAL A 69 2.811 12.957 -13.548 1.00 0.00 C ATOM 1053 CG2 VAL A 69 2.778 12.983 -11.077 1.00 0.00 C ATOM 0 H VAL A 69 1.365 15.164 -10.501 1.00 0.00 H new ATOM 0 HA VAL A 69 3.502 15.370 -12.240 1.00 0.00 H new ATOM 0 HB VAL A 69 1.122 13.462 -12.335 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.630 11.883 -13.512 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.355 13.372 -14.447 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.885 13.143 -13.567 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.604 11.907 -11.105 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.850 13.177 -11.034 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.298 13.405 -10.194 1.00 0.00 H new ATOM 1063 N ASP A 70 0.637 16.052 -13.606 1.00 0.00 N ATOM 1064 CA ASP A 70 -0.025 16.591 -14.772 1.00 0.00 C ATOM 1065 C ASP A 70 -0.025 18.117 -14.828 1.00 0.00 C ATOM 1066 O ASP A 70 0.541 18.707 -15.726 1.00 0.00 O ATOM 1067 CB ASP A 70 -1.458 16.059 -14.825 1.00 0.00 C ATOM 1068 CG ASP A 70 -2.368 16.771 -15.821 1.00 0.00 C ATOM 1069 OD1 ASP A 70 -2.321 16.467 -17.029 1.00 0.00 O ATOM 1070 OD2 ASP A 70 -3.226 17.567 -15.364 1.00 0.00 O1- ATOM 0 H ASP A 70 0.029 15.933 -12.796 1.00 0.00 H new ATOM 0 HA ASP A 70 0.542 16.261 -15.643 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.428 14.999 -15.075 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.898 16.139 -13.831 1.00 0.00 H new ATOM 1075 N ASN A 71 -0.541 18.749 -13.817 1.00 0.00 N ATOM 1076 CA ASN A 71 -0.920 20.163 -13.957 1.00 0.00 C ATOM 1077 C ASN A 71 0.204 21.117 -13.589 1.00 0.00 C ATOM 1078 O ASN A 71 0.193 22.299 -13.963 1.00 0.00 O ATOM 1079 CB ASN A 71 -2.206 20.456 -13.165 1.00 0.00 C ATOM 1080 CG ASN A 71 -2.812 21.838 -13.435 1.00 0.00 C ATOM 1081 OD1 ASN A 71 -2.661 22.419 -14.528 1.00 0.00 O ATOM 1082 ND2 ASN A 71 -3.534 22.356 -12.471 1.00 0.00 N ATOM 0 H ASN A 71 -0.715 18.340 -12.899 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.120 20.341 -15.014 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.948 19.694 -13.404 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.991 20.368 -12.100 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.991 23.258 -12.604 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.639 21.857 -11.588 1.00 0.00 H new ATOM 1089 N LEU A 72 1.183 20.624 -12.885 1.00 0.00 N ATOM 1090 CA LEU A 72 2.311 21.452 -12.533 1.00 0.00 C ATOM 1091 C LEU A 72 3.445 21.191 -13.523 1.00 0.00 C ATOM 1092 O LEU A 72 4.435 21.921 -13.580 1.00 0.00 O ATOM 1093 CB LEU A 72 2.722 21.197 -11.065 1.00 0.00 C ATOM 1094 CG LEU A 72 3.840 22.072 -10.469 1.00 0.00 C ATOM 1095 CD1 LEU A 72 3.548 23.555 -10.661 1.00 0.00 C ATOM 1096 CD2 LEU A 72 3.978 21.773 -8.994 1.00 0.00 C ATOM 0 H LEU A 72 1.228 19.664 -12.544 1.00 0.00 H new ATOM 0 HA LEU A 72 2.048 22.508 -12.600 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.835 21.318 -10.443 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.031 20.155 -10.980 1.00 0.00 H new ATOM 0 HG LEU A 72 4.769 21.839 -10.989 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.357 24.144 -10.229 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.467 23.775 -11.725 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.610 23.808 -10.166 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.769 22.391 -8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.037 21.991 -8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.228 20.721 -8.858 1.00 0.00 H new ATOM 1108 N ASN A 73 3.249 20.182 -14.352 1.00 0.00 N ATOM 1109 CA ASN A 73 4.230 19.789 -15.343 1.00 0.00 C ATOM 1110 C ASN A 73 4.218 20.766 -16.475 1.00 0.00 C ATOM 1111 O ASN A 73 3.171 21.012 -17.078 1.00 0.00 O ATOM 1112 CB ASN A 73 3.929 18.389 -15.869 1.00 0.00 C ATOM 1113 CG ASN A 73 4.988 17.871 -16.822 1.00 0.00 C ATOM 1114 OD1 ASN A 73 5.970 17.260 -16.396 1.00 0.00 O ATOM 1115 ND2 ASN A 73 4.792 18.072 -18.103 1.00 0.00 N ATOM 0 H ASN A 73 2.403 19.612 -14.356 1.00 0.00 H new ATOM 0 HA ASN A 73 5.215 19.781 -14.877 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.839 17.703 -15.027 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.965 18.398 -16.377 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.464 17.718 -18.784 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.967 18.582 -18.419 1.00 0.00 H new ATOM 1122 N GLY A 74 5.357 21.329 -16.760 1.00 0.00 N ATOM 1123 CA GLY A 74 5.438 22.293 -17.816 1.00 0.00 C ATOM 1124 C GLY A 74 5.481 23.699 -17.280 1.00 0.00 C ATOM 1125 O GLY A 74 5.415 24.670 -18.043 1.00 0.00 O ATOM 0 H GLY A 74 6.236 21.138 -16.279 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.329 22.104 -18.415 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.579 22.181 -18.478 1.00 0.00 H new ATOM 1129 N PHE A 75 5.560 23.830 -15.967 1.00 0.00 N ATOM 1130 CA PHE A 75 5.678 25.135 -15.370 1.00 0.00 C ATOM 1131 C PHE A 75 7.109 25.622 -15.582 1.00 0.00 C ATOM 1132 O PHE A 75 8.072 24.898 -15.293 1.00 0.00 O ATOM 1133 CB PHE A 75 5.297 25.110 -13.881 1.00 0.00 C ATOM 1134 CG PHE A 75 5.157 26.481 -13.264 1.00 0.00 C ATOM 1135 CD1 PHE A 75 4.016 27.244 -13.490 1.00 0.00 C ATOM 1136 CD2 PHE A 75 6.152 27.006 -12.462 1.00 0.00 C ATOM 1137 CE1 PHE A 75 3.881 28.501 -12.929 1.00 0.00 C ATOM 1138 CE2 PHE A 75 6.017 28.261 -11.900 1.00 0.00 C ATOM 1139 CZ PHE A 75 4.883 29.004 -12.138 1.00 0.00 C ATOM 0 H PHE A 75 5.544 23.053 -15.306 1.00 0.00 H new ATOM 0 HA PHE A 75 4.982 25.826 -15.845 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.356 24.572 -13.765 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.054 24.550 -13.331 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.226 26.850 -14.111 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.045 26.429 -12.272 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.991 29.084 -13.113 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.802 28.659 -11.274 1.00 0.00 H new ATOM 0 HZ PHE A 75 4.782 29.986 -11.701 1.00 0.00 H new ATOM 1149 N LYS A 76 7.231 26.810 -16.114 1.00 0.00 N ATOM 1150 CA LYS A 76 8.500 27.379 -16.496 1.00 0.00 C ATOM 1151 C LYS A 76 9.101 28.110 -15.314 1.00 0.00 C ATOM 1152 O LYS A 76 8.446 28.979 -14.725 1.00 0.00 O ATOM 1153 CB LYS A 76 8.279 28.363 -17.662 1.00 0.00 C ATOM 1154 CG LYS A 76 9.550 28.867 -18.353 1.00 0.00 C ATOM 1155 CD LYS A 76 10.287 27.744 -19.083 1.00 0.00 C ATOM 1156 CE LYS A 76 9.445 27.112 -20.194 1.00 0.00 C ATOM 1157 NZ LYS A 76 9.135 28.068 -21.274 1.00 0.00 N1+ ATOM 0 H LYS A 76 6.436 27.422 -16.298 1.00 0.00 H new ATOM 0 HA LYS A 76 9.181 26.589 -16.811 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.649 27.879 -18.408 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.725 29.224 -17.287 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.290 29.652 -19.063 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.213 29.314 -17.612 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.209 28.138 -19.510 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.571 26.974 -18.365 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.979 26.258 -20.610 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.515 26.732 -19.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.652 27.571 -22.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.517 28.819 -20.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.017 28.489 -21.629 1.00 0.00 H new ATOM 1171 N ILE A 77 10.314 27.742 -14.948 1.00 0.00 N ATOM 1172 CA ILE A 77 11.009 28.385 -13.863 1.00 0.00 C ATOM 1173 C ILE A 77 12.445 28.705 -14.301 1.00 0.00 C ATOM 1174 O ILE A 77 13.305 27.820 -14.359 1.00 0.00 O ATOM 1175 CB ILE A 77 11.058 27.515 -12.560 1.00 0.00 C ATOM 1176 CG1 ILE A 77 9.662 27.011 -12.177 1.00 0.00 C ATOM 1177 CG2 ILE A 77 11.646 28.342 -11.402 1.00 0.00 C ATOM 1178 CD1 ILE A 77 9.642 26.104 -10.964 1.00 0.00 C ATOM 0 H ILE A 77 10.839 26.991 -15.396 1.00 0.00 H new ATOM 0 HA ILE A 77 10.455 29.293 -13.625 1.00 0.00 H new ATOM 0 HB ILE A 77 11.693 26.650 -12.753 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.018 27.869 -11.986 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.236 26.475 -13.025 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.678 27.732 -10.499 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.656 28.662 -11.659 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.021 29.218 -11.227 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.618 25.792 -10.760 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.258 25.225 -11.156 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.036 26.641 -10.101 1.00 0.00 H new ATOM 1190 N GLY A 78 12.667 29.941 -14.677 1.00 0.00 N ATOM 1191 CA GLY A 78 13.992 30.419 -15.005 1.00 0.00 C ATOM 1192 C GLY A 78 14.526 29.858 -16.297 1.00 0.00 C ATOM 1193 O GLY A 78 15.618 29.284 -16.336 1.00 0.00 O ATOM 0 H GLY A 78 11.935 30.646 -14.765 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.972 31.507 -15.070 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.674 30.161 -14.195 1.00 0.00 H new ATOM 1197 N GLY A 79 13.756 29.995 -17.346 1.00 0.00 N ATOM 1198 CA GLY A 79 14.194 29.571 -18.661 1.00 0.00 C ATOM 1199 C GLY A 79 13.945 28.105 -18.958 1.00 0.00 C ATOM 1200 O GLY A 79 13.944 27.701 -20.115 1.00 0.00 O ATOM 0 H GLY A 79 12.819 30.397 -17.320 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.685 30.174 -19.413 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.261 29.774 -18.759 1.00 0.00 H new ATOM 1204 N ARG A 80 13.729 27.309 -17.937 1.00 0.00 N ATOM 1205 CA ARG A 80 13.510 25.892 -18.131 1.00 0.00 C ATOM 1206 C ARG A 80 12.253 25.460 -17.412 1.00 0.00 C ATOM 1207 O ARG A 80 11.858 26.080 -16.433 1.00 0.00 O ATOM 1208 CB ARG A 80 14.721 25.071 -17.662 1.00 0.00 C ATOM 1209 CG ARG A 80 15.085 25.254 -16.197 1.00 0.00 C ATOM 1210 CD ARG A 80 16.230 24.343 -15.797 1.00 0.00 C ATOM 1211 NE ARG A 80 17.477 24.625 -16.518 1.00 0.00 N ATOM 1212 CZ ARG A 80 18.537 23.793 -16.562 1.00 0.00 C ATOM 1213 NH1 ARG A 80 18.505 22.628 -15.905 1.00 0.00 N1+ ATOM 1214 NH2 ARG A 80 19.629 24.140 -17.234 1.00 0.00 N ATOM 0 H ARG A 80 13.700 27.616 -16.965 1.00 0.00 H new ATOM 0 HA ARG A 80 13.384 25.707 -19.198 1.00 0.00 H new ATOM 0 HB2 ARG A 80 14.519 24.015 -17.843 1.00 0.00 H new ATOM 0 HB3 ARG A 80 15.583 25.340 -18.273 1.00 0.00 H new ATOM 0 HG2 ARG A 80 15.363 26.292 -16.016 1.00 0.00 H new ATOM 0 HG3 ARG A 80 14.215 25.044 -15.575 1.00 0.00 H new ATOM 0 HD2 ARG A 80 16.407 24.443 -14.726 1.00 0.00 H new ATOM 0 HD3 ARG A 80 15.941 23.308 -15.977 1.00 0.00 H new ATOM 0 HE ARG A 80 17.546 25.510 -17.020 1.00 0.00 H new ATOM 0 HH11 ARG A 80 17.677 22.367 -15.369 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.308 22.000 -15.940 1.00 0.00 H new ATOM 0 HH21 ARG A 80 19.667 25.037 -17.718 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.430 23.509 -17.266 1.00 0.00 H new ATOM 1228 N ALA A 81 11.602 24.447 -17.910 1.00 0.00 N ATOM 1229 CA ALA A 81 10.394 23.957 -17.286 1.00 0.00 C ATOM 1230 C ALA A 81 10.688 22.682 -16.544 1.00 0.00 C ATOM 1231 O ALA A 81 11.568 21.911 -16.956 1.00 0.00 O ATOM 1232 CB ALA A 81 9.298 23.741 -18.320 1.00 0.00 C ATOM 0 H ALA A 81 11.884 23.940 -18.749 1.00 0.00 H new ATOM 0 HA ALA A 81 10.037 24.704 -16.577 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.399 23.372 -17.826 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.077 24.685 -18.818 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.632 23.011 -19.057 1.00 0.00 H new ATOM 1238 N LEU A 82 9.998 22.467 -15.455 1.00 0.00 N ATOM 1239 CA LEU A 82 10.200 21.274 -14.672 1.00 0.00 C ATOM 1240 C LEU A 82 9.349 20.109 -15.163 1.00 0.00 C ATOM 1241 O LEU A 82 8.250 20.303 -15.729 1.00 0.00 O ATOM 1242 CB LEU A 82 10.069 21.532 -13.141 1.00 0.00 C ATOM 1243 CG LEU A 82 8.832 22.302 -12.605 1.00 0.00 C ATOM 1244 CD1 LEU A 82 7.537 21.561 -12.855 1.00 0.00 C ATOM 1245 CD2 LEU A 82 8.990 22.565 -11.120 1.00 0.00 C ATOM 0 H LEU A 82 9.290 23.103 -15.089 1.00 0.00 H new ATOM 0 HA LEU A 82 11.236 20.971 -14.827 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.094 20.563 -12.642 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.958 22.077 -12.823 1.00 0.00 H new ATOM 0 HG LEU A 82 8.780 23.245 -13.149 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.703 22.142 -12.461 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.403 21.414 -13.927 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.571 20.592 -12.358 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.118 23.106 -10.751 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.080 21.617 -10.590 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.886 23.162 -10.950 1.00 0.00 H new ATOM 1257 N LYS A 83 9.867 18.927 -14.968 1.00 0.00 N ATOM 1258 CA LYS A 83 9.230 17.708 -15.385 1.00 0.00 C ATOM 1259 C LYS A 83 8.880 16.852 -14.175 1.00 0.00 C ATOM 1260 O LYS A 83 9.727 16.652 -13.313 1.00 0.00 O ATOM 1261 CB LYS A 83 10.191 16.926 -16.301 1.00 0.00 C ATOM 1262 CG LYS A 83 9.697 15.542 -16.677 1.00 0.00 C ATOM 1263 CD LYS A 83 8.392 15.642 -17.428 1.00 0.00 C ATOM 1264 CE LYS A 83 7.773 14.304 -17.749 1.00 0.00 C ATOM 1265 NZ LYS A 83 6.416 14.483 -18.309 1.00 0.00 N1+ ATOM 0 H LYS A 83 10.764 18.782 -14.504 1.00 0.00 H new ATOM 0 HA LYS A 83 8.313 17.951 -15.922 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.357 17.501 -17.212 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.156 16.833 -15.803 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.441 15.037 -17.292 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.563 14.939 -15.779 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.687 16.226 -16.837 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.558 16.188 -18.357 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.400 13.768 -18.462 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.723 13.694 -16.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.004 13.553 -18.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.817 14.975 -17.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.472 15.047 -19.181 1.00 0.00 H new ATOM 1279 N ILE A 84 7.654 16.347 -14.122 1.00 0.00 N ATOM 1280 CA ILE A 84 7.254 15.451 -13.049 1.00 0.00 C ATOM 1281 C ILE A 84 6.945 14.049 -13.635 1.00 0.00 C ATOM 1282 O ILE A 84 6.368 13.942 -14.730 1.00 0.00 O ATOM 1283 CB ILE A 84 5.989 15.928 -12.241 1.00 0.00 C ATOM 1284 CG1 ILE A 84 6.082 17.362 -11.709 1.00 0.00 C ATOM 1285 CG2 ILE A 84 5.746 15.016 -11.072 1.00 0.00 C ATOM 1286 CD1 ILE A 84 5.652 18.412 -12.681 1.00 0.00 C ATOM 0 H ILE A 84 6.924 16.542 -14.807 1.00 0.00 H new ATOM 0 HA ILE A 84 8.093 15.434 -12.354 1.00 0.00 H new ATOM 0 HB ILE A 84 5.168 15.898 -12.957 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.470 17.443 -10.811 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.112 17.560 -11.412 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.869 15.356 -10.521 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.578 14.001 -11.431 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.615 15.028 -10.414 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.750 19.395 -12.221 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.279 18.363 -13.571 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.612 18.245 -12.961 1.00 0.00 H new ATOM 1298 N ASP A 85 7.346 12.999 -12.927 1.00 0.00 N ATOM 1299 CA ASP A 85 7.053 11.602 -13.316 1.00 0.00 C ATOM 1300 C ASP A 85 6.957 10.784 -12.013 1.00 0.00 C ATOM 1301 O ASP A 85 7.385 11.264 -10.981 1.00 0.00 O ATOM 1302 CB ASP A 85 8.181 11.046 -14.227 1.00 0.00 C ATOM 1303 CG ASP A 85 7.803 9.783 -15.004 1.00 0.00 C ATOM 1304 OD1 ASP A 85 6.836 9.094 -14.642 1.00 0.00 O1- ATOM 1305 OD2 ASP A 85 8.470 9.485 -16.034 1.00 0.00 O ATOM 0 H ASP A 85 7.885 13.080 -12.065 1.00 0.00 H new ATOM 0 HA ASP A 85 6.122 11.542 -13.879 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.473 11.820 -14.936 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.055 10.831 -13.612 1.00 0.00 H new ATOM 1310 N HIS A 86 6.431 9.582 -12.047 1.00 0.00 N ATOM 1311 CA HIS A 86 6.267 8.787 -10.812 1.00 0.00 C ATOM 1312 C HIS A 86 7.462 7.888 -10.566 1.00 0.00 C ATOM 1313 O HIS A 86 7.526 6.769 -11.076 1.00 0.00 O ATOM 1314 CB HIS A 86 4.992 7.928 -10.816 1.00 0.00 C ATOM 1315 CG HIS A 86 3.703 8.677 -10.729 1.00 0.00 C ATOM 1316 ND1 HIS A 86 2.958 8.794 -9.571 1.00 0.00 N ATOM 1317 CD2 HIS A 86 2.989 9.290 -11.697 1.00 0.00 C ATOM 1318 CE1 HIS A 86 1.838 9.448 -9.871 1.00 0.00 C ATOM 1319 NE2 HIS A 86 1.803 9.775 -11.156 1.00 0.00 N ATOM 0 H HIS A 86 6.107 9.121 -12.897 1.00 0.00 H new ATOM 0 HA HIS A 86 6.184 9.518 -10.008 1.00 0.00 H new ATOM 0 HB2 HIS A 86 4.982 7.330 -11.727 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.043 7.232 -9.979 1.00 0.00 H new ATOM 0 HD1 HIS A 86 3.220 8.442 -8.650 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.291 9.388 -12.729 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.059 9.682 -9.160 1.00 0.00 H new ATOM 1327 N THR A 87 8.375 8.335 -9.775 1.00 0.00 N ATOM 1328 CA THR A 87 9.576 7.587 -9.526 1.00 0.00 C ATOM 1329 C THR A 87 9.522 7.043 -8.101 1.00 0.00 C ATOM 1330 O THR A 87 8.803 7.567 -7.261 1.00 0.00 O ATOM 1331 CB THR A 87 10.839 8.491 -9.733 1.00 0.00 C ATOM 1332 OG1 THR A 87 12.050 7.718 -9.776 1.00 0.00 O ATOM 1333 CG2 THR A 87 10.971 9.517 -8.623 1.00 0.00 C ATOM 0 H THR A 87 8.319 9.225 -9.280 1.00 0.00 H new ATOM 0 HA THR A 87 9.649 6.757 -10.229 1.00 0.00 H new ATOM 0 HB THR A 87 10.697 8.994 -10.690 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.815 8.316 -9.908 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.857 10.128 -8.796 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.087 10.155 -8.610 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.064 9.006 -7.665 1.00 0.00 H new ATOM 1341 N PHE A 88 10.235 6.002 -7.845 1.00 0.00 N ATOM 1342 CA PHE A 88 10.284 5.451 -6.537 1.00 0.00 C ATOM 1343 C PHE A 88 11.673 4.902 -6.343 1.00 0.00 C ATOM 1344 O PHE A 88 12.155 4.123 -7.172 1.00 0.00 O ATOM 1345 CB PHE A 88 9.222 4.352 -6.376 1.00 0.00 C ATOM 1346 CG PHE A 88 8.981 3.938 -4.952 1.00 0.00 C ATOM 1347 CD1 PHE A 88 8.116 4.667 -4.147 1.00 0.00 C ATOM 1348 CD2 PHE A 88 9.605 2.826 -4.420 1.00 0.00 C ATOM 1349 CE1 PHE A 88 7.884 4.293 -2.841 1.00 0.00 C ATOM 1350 CE2 PHE A 88 9.375 2.450 -3.116 1.00 0.00 C ATOM 1351 CZ PHE A 88 8.514 3.181 -2.324 1.00 0.00 C ATOM 0 H PHE A 88 10.800 5.509 -8.536 1.00 0.00 H new ATOM 0 HA PHE A 88 10.069 6.209 -5.784 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.283 4.703 -6.805 1.00 0.00 H new ATOM 0 HB3 PHE A 88 9.529 3.478 -6.951 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.619 5.538 -4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.279 2.246 -5.033 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.210 4.869 -2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.870 1.580 -2.712 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.334 2.883 -1.302 1.00 0.00 H new ATOM 1361 N TYR A 89 12.334 5.338 -5.311 1.00 0.00 N ATOM 1362 CA TYR A 89 13.667 4.897 -5.034 1.00 0.00 C ATOM 1363 C TYR A 89 13.783 4.731 -3.545 1.00 0.00 C ATOM 1364 O TYR A 89 12.961 5.274 -2.800 1.00 0.00 O ATOM 1365 CB TYR A 89 14.725 5.911 -5.571 1.00 0.00 C ATOM 1366 CG TYR A 89 15.035 7.126 -4.682 1.00 0.00 C ATOM 1367 CD1 TYR A 89 14.086 8.108 -4.393 1.00 0.00 C ATOM 1368 CD2 TYR A 89 16.303 7.270 -4.131 1.00 0.00 C ATOM 1369 CE1 TYR A 89 14.411 9.191 -3.580 1.00 0.00 C ATOM 1370 CE2 TYR A 89 16.629 8.341 -3.331 1.00 0.00 C ATOM 1371 CZ TYR A 89 15.689 9.295 -3.058 1.00 0.00 C ATOM 1372 OH TYR A 89 16.030 10.367 -2.266 1.00 0.00 O ATOM 0 H TYR A 89 11.963 6.009 -4.638 1.00 0.00 H new ATOM 0 HA TYR A 89 13.864 3.952 -5.540 1.00 0.00 H new ATOM 0 HB2 TYR A 89 15.656 5.371 -5.744 1.00 0.00 H new ATOM 0 HB3 TYR A 89 14.384 6.277 -6.539 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.090 8.027 -4.804 1.00 0.00 H new ATOM 0 HD2 TYR A 89 17.053 6.521 -4.336 1.00 0.00 H new ATOM 0 HE1 TYR A 89 13.671 9.945 -3.358 1.00 0.00 H new ATOM 0 HE2 TYR A 89 17.624 8.428 -2.920 1.00 0.00 H new ATOM 0 HH TYR A 89 16.637 10.070 -1.557 1.00 0.00 H new ATOM 1382 N ARG A 90 14.748 3.985 -3.112 1.00 0.00 N ATOM 1383 CA ARG A 90 14.952 3.778 -1.706 1.00 0.00 C ATOM 1384 C ARG A 90 15.864 4.864 -1.158 1.00 0.00 C ATOM 1385 O ARG A 90 16.975 5.076 -1.689 1.00 0.00 O ATOM 1386 CB ARG A 90 15.500 2.376 -1.431 1.00 0.00 C ATOM 1387 CG ARG A 90 14.563 1.260 -1.885 1.00 0.00 C ATOM 1388 CD ARG A 90 13.218 1.354 -1.178 1.00 0.00 C ATOM 1389 NE ARG A 90 12.255 0.366 -1.663 1.00 0.00 N ATOM 1390 CZ ARG A 90 11.021 0.209 -1.185 1.00 0.00 C ATOM 1391 NH1 ARG A 90 10.595 0.961 -0.174 1.00 0.00 N1+ ATOM 1392 NH2 ARG A 90 10.206 -0.693 -1.720 1.00 0.00 N ATOM 0 H ARG A 90 15.415 3.503 -3.714 1.00 0.00 H new ATOM 0 HA ARG A 90 13.994 3.846 -1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 90 16.459 2.263 -1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 90 15.688 2.270 -0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.416 1.320 -2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.019 0.292 -1.679 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.365 1.217 -0.107 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.808 2.354 -1.318 1.00 0.00 H new ATOM 0 HE ARG A 90 12.549 -0.248 -2.423 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.213 1.660 0.237 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.650 0.839 0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.524 -1.269 -2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.262 -0.810 -1.351 1.00 0.00 H new ATOM 1406 N PRO A 91 15.403 5.582 -0.113 1.00 0.00 N ATOM 1407 CA PRO A 91 16.135 6.712 0.476 1.00 0.00 C ATOM 1408 C PRO A 91 17.494 6.297 1.031 1.00 0.00 C ATOM 1409 O PRO A 91 17.653 5.195 1.577 1.00 0.00 O ATOM 1410 CB PRO A 91 15.215 7.192 1.605 1.00 0.00 C ATOM 1411 CG PRO A 91 14.347 6.025 1.913 1.00 0.00 C ATOM 1412 CD PRO A 91 14.135 5.329 0.607 1.00 0.00 C ATOM 0 HA PRO A 91 16.354 7.482 -0.264 1.00 0.00 H new ATOM 0 HB2 PRO A 91 15.789 7.499 2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.624 8.053 1.294 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.822 5.363 2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.399 6.344 2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 91 13.953 4.263 0.742 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.277 5.733 0.069 1.00 0.00 H new ATOM 1420 N LYS A 92 18.462 7.170 0.901 1.00 0.00 N ATOM 1421 CA LYS A 92 19.804 6.854 1.302 1.00 0.00 C ATOM 1422 C LYS A 92 19.966 6.875 2.816 1.00 0.00 C ATOM 1423 O LYS A 92 19.492 7.778 3.499 1.00 0.00 O ATOM 1424 CB LYS A 92 20.770 7.835 0.645 1.00 0.00 C ATOM 1425 CG LYS A 92 20.698 7.813 -0.875 1.00 0.00 C ATOM 1426 CD LYS A 92 21.716 8.737 -1.519 1.00 0.00 C ATOM 1427 CE LYS A 92 23.145 8.275 -1.261 1.00 0.00 C ATOM 1428 NZ LYS A 92 23.389 6.905 -1.770 1.00 0.00 N1+ ATOM 0 H LYS A 92 18.341 8.108 0.519 1.00 0.00 H new ATOM 0 HA LYS A 92 20.030 5.840 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 92 20.552 8.843 0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 92 21.787 7.600 0.958 1.00 0.00 H new ATOM 0 HG2 LYS A 92 20.861 6.795 -1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 92 19.697 8.104 -1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 92 21.537 8.782 -2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 92 21.585 9.747 -1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 92 23.840 8.967 -1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.347 8.305 -0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 24.413 6.726 -1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 22.940 6.214 -1.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 22.986 6.812 -2.724 1.00 0.00 H new ATOM 1442 N ARG A 93 20.675 5.893 3.310 1.00 0.00 N ATOM 1443 CA ARG A 93 20.956 5.731 4.733 1.00 0.00 C ATOM 1444 C ARG A 93 22.112 6.638 5.140 1.00 0.00 C ATOM 1445 O ARG A 93 22.178 7.138 6.267 1.00 0.00 O ATOM 1446 CB ARG A 93 21.274 4.247 4.992 1.00 0.00 C ATOM 1447 CG ARG A 93 21.718 3.840 6.398 1.00 0.00 C ATOM 1448 CD ARG A 93 20.679 4.115 7.479 1.00 0.00 C ATOM 1449 NE ARG A 93 20.972 3.332 8.699 1.00 0.00 N ATOM 1450 CZ ARG A 93 20.989 3.787 9.961 1.00 0.00 C ATOM 1451 NH1 ARG A 93 20.755 5.056 10.221 1.00 0.00 N1+ ATOM 1452 NH2 ARG A 93 21.248 2.956 10.960 1.00 0.00 N ATOM 0 H ARG A 93 21.087 5.162 2.730 1.00 0.00 H new ATOM 0 HA ARG A 93 20.094 6.019 5.335 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.386 3.667 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 93 22.057 3.947 4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 93 21.956 2.776 6.399 1.00 0.00 H new ATOM 0 HG3 ARG A 93 22.636 4.372 6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 93 20.668 5.179 7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 93 19.686 3.862 7.108 1.00 0.00 H new ATOM 0 HE ARG A 93 21.183 2.343 8.567 1.00 0.00 H new ATOM 0 HH11 ARG A 93 20.558 5.705 9.459 1.00 0.00 H new ATOM 0 HH12 ARG A 93 20.771 5.390 11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 93 21.434 1.971 10.769 1.00 0.00 H new ATOM 0 HH22 ARG A 93 21.261 3.301 11.920 1.00 0.00 H new ATOM 1466 N SER A 94 22.997 6.868 4.202 1.00 0.00 N ATOM 1467 CA SER A 94 24.170 7.678 4.410 1.00 0.00 C ATOM 1468 C SER A 94 23.792 9.157 4.612 1.00 0.00 C ATOM 1469 O SER A 94 24.398 9.866 5.414 1.00 0.00 O ATOM 1470 CB SER A 94 25.049 7.519 3.181 1.00 0.00 C ATOM 1471 OG SER A 94 25.075 6.152 2.788 1.00 0.00 O ATOM 0 H SER A 94 22.921 6.491 3.257 1.00 0.00 H new ATOM 0 HA SER A 94 24.696 7.357 5.309 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.668 8.135 2.367 1.00 0.00 H new ATOM 0 HB3 SER A 94 26.060 7.865 3.397 1.00 0.00 H new ATOM 0 HG SER A 94 25.641 6.051 1.994 1.00 0.00 H new ATOM 1477 N LEU A 95 22.751 9.586 3.924 1.00 0.00 N ATOM 1478 CA LEU A 95 22.340 10.982 3.943 1.00 0.00 C ATOM 1479 C LEU A 95 21.030 11.153 4.686 1.00 0.00 C ATOM 1480 O LEU A 95 20.368 12.173 4.536 1.00 0.00 O ATOM 1481 CB LEU A 95 22.199 11.514 2.510 1.00 0.00 C ATOM 1482 CG LEU A 95 23.465 11.496 1.648 1.00 0.00 C ATOM 1483 CD1 LEU A 95 23.179 12.085 0.279 1.00 0.00 C ATOM 1484 CD2 LEU A 95 24.590 12.259 2.330 1.00 0.00 C ATOM 0 H LEU A 95 22.169 8.985 3.340 1.00 0.00 H new ATOM 0 HA LEU A 95 23.109 11.552 4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.432 10.929 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 95 21.835 12.540 2.561 1.00 0.00 H new ATOM 0 HG LEU A 95 23.781 10.460 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 95 24.088 12.066 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 95 22.404 11.498 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 95 22.839 13.115 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 95 25.480 12.234 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 95 24.285 13.294 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 95 24.812 11.797 3.292 1.00 0.00 H new ATOM 1496 N GLN A 96 20.704 10.179 5.526 1.00 0.00 N ATOM 1497 CA GLN A 96 19.417 10.116 6.251 1.00 0.00 C ATOM 1498 C GLN A 96 19.038 11.429 6.968 1.00 0.00 C ATOM 1499 O GLN A 96 17.875 11.819 6.961 1.00 0.00 O ATOM 1500 CB GLN A 96 19.418 8.983 7.264 1.00 0.00 C ATOM 1501 CG GLN A 96 20.418 9.176 8.388 1.00 0.00 C ATOM 1502 CD GLN A 96 20.314 8.147 9.468 1.00 0.00 C ATOM 1503 OE1 GLN A 96 21.301 7.828 10.113 1.00 0.00 O ATOM 1504 NE2 GLN A 96 19.139 7.601 9.669 1.00 0.00 N ATOM 0 H GLN A 96 21.324 9.396 5.733 1.00 0.00 H new ATOM 0 HA GLN A 96 18.666 9.938 5.481 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.419 8.886 7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.637 8.047 6.750 1.00 0.00 H new ATOM 0 HG2 GLN A 96 21.426 9.154 7.973 1.00 0.00 H new ATOM 0 HG3 GLN A 96 20.274 10.164 8.825 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.338 7.894 9.110 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.026 6.883 10.385 1.00 0.00 H new ATOM 1513 N LYS A 97 20.026 12.120 7.569 1.00 0.00 N ATOM 1514 CA LYS A 97 19.743 13.353 8.295 1.00 0.00 C ATOM 1515 C LYS A 97 19.245 14.433 7.391 1.00 0.00 C ATOM 1516 O LYS A 97 18.557 15.312 7.835 1.00 0.00 O ATOM 1517 CB LYS A 97 20.921 13.860 9.118 1.00 0.00 C ATOM 1518 CG LYS A 97 21.297 12.994 10.308 1.00 0.00 C ATOM 1519 CD LYS A 97 20.166 12.845 11.338 1.00 0.00 C ATOM 1520 CE LYS A 97 19.676 14.190 11.881 1.00 0.00 C ATOM 1521 NZ LYS A 97 18.640 14.019 12.931 1.00 0.00 N1+ ATOM 0 H LYS A 97 21.008 11.844 7.562 1.00 0.00 H new ATOM 0 HA LYS A 97 18.952 13.090 8.997 1.00 0.00 H new ATOM 0 HB2 LYS A 97 21.789 13.949 8.465 1.00 0.00 H new ATOM 0 HB3 LYS A 97 20.688 14.862 9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 97 21.586 12.005 9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 97 22.171 13.423 10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.330 12.318 10.879 1.00 0.00 H new ATOM 0 HD3 LYS A 97 20.515 12.229 12.167 1.00 0.00 H new ATOM 0 HE2 LYS A 97 20.520 14.745 12.291 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.269 14.785 11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.024 14.857 12.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.070 13.175 12.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.100 13.906 13.857 1.00 0.00 H new ATOM 1535 N TYR A 98 19.587 14.365 6.120 1.00 0.00 N ATOM 1536 CA TYR A 98 19.071 15.322 5.176 1.00 0.00 C ATOM 1537 C TYR A 98 17.561 15.090 5.014 1.00 0.00 C ATOM 1538 O TYR A 98 16.772 16.017 5.107 1.00 0.00 O ATOM 1539 CB TYR A 98 19.830 15.235 3.823 1.00 0.00 C ATOM 1540 CG TYR A 98 19.185 16.021 2.707 1.00 0.00 C ATOM 1541 CD1 TYR A 98 19.121 17.403 2.748 1.00 0.00 C ATOM 1542 CD2 TYR A 98 18.617 15.371 1.624 1.00 0.00 C ATOM 1543 CE1 TYR A 98 18.498 18.114 1.744 1.00 0.00 C ATOM 1544 CE2 TYR A 98 18.005 16.076 0.616 1.00 0.00 C ATOM 1545 CZ TYR A 98 17.941 17.445 0.683 1.00 0.00 C ATOM 1546 OH TYR A 98 17.308 18.140 -0.311 1.00 0.00 O ATOM 0 H TYR A 98 20.213 13.663 5.725 1.00 0.00 H new ATOM 0 HA TYR A 98 19.229 16.334 5.548 1.00 0.00 H new ATOM 0 HB2 TYR A 98 20.849 15.595 3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 98 19.900 14.189 3.524 1.00 0.00 H new ATOM 0 HD1 TYR A 98 19.565 17.932 3.578 1.00 0.00 H new ATOM 0 HD2 TYR A 98 18.656 14.293 1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 98 18.449 19.192 1.792 1.00 0.00 H new ATOM 0 HE2 TYR A 98 17.576 15.554 -0.227 1.00 0.00 H new ATOM 0 HH TYR A 98 17.672 19.049 -0.358 1.00 0.00 H new ATOM 1556 N TYR A 99 17.190 13.827 4.889 1.00 0.00 N ATOM 1557 CA TYR A 99 15.795 13.416 4.700 1.00 0.00 C ATOM 1558 C TYR A 99 14.945 13.787 5.903 1.00 0.00 C ATOM 1559 O TYR A 99 13.906 14.457 5.775 1.00 0.00 O ATOM 1560 CB TYR A 99 15.696 11.902 4.494 1.00 0.00 C ATOM 1561 CG TYR A 99 16.322 11.370 3.233 1.00 0.00 C ATOM 1562 CD1 TYR A 99 17.681 11.131 3.150 1.00 0.00 C ATOM 1563 CD2 TYR A 99 15.540 11.074 2.135 1.00 0.00 C ATOM 1564 CE1 TYR A 99 18.241 10.615 2.008 1.00 0.00 C ATOM 1565 CE2 TYR A 99 16.092 10.566 0.987 1.00 0.00 C ATOM 1566 CZ TYR A 99 17.441 10.337 0.929 1.00 0.00 C ATOM 1567 OH TYR A 99 17.990 9.794 -0.202 1.00 0.00 O ATOM 0 H TYR A 99 17.847 13.047 4.915 1.00 0.00 H new ATOM 0 HA TYR A 99 15.428 13.938 3.816 1.00 0.00 H new ATOM 0 HB2 TYR A 99 16.163 11.407 5.346 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.643 11.622 4.501 1.00 0.00 H new ATOM 0 HD1 TYR A 99 18.312 11.354 3.997 1.00 0.00 H new ATOM 0 HD2 TYR A 99 14.475 11.245 2.181 1.00 0.00 H new ATOM 0 HE1 TYR A 99 19.304 10.429 1.959 1.00 0.00 H new ATOM 0 HE2 TYR A 99 15.467 10.348 0.134 1.00 0.00 H new ATOM 0 HH TYR A 99 18.965 9.891 -0.171 1.00 0.00 H new ATOM 1577 N GLU A 100 15.382 13.353 7.074 1.00 0.00 N ATOM 1578 CA GLU A 100 14.631 13.597 8.279 1.00 0.00 C ATOM 1579 C GLU A 100 14.584 15.074 8.665 1.00 0.00 C ATOM 1580 O GLU A 100 13.559 15.544 9.138 1.00 0.00 O ATOM 1581 CB GLU A 100 15.037 12.668 9.440 1.00 0.00 C ATOM 1582 CG GLU A 100 16.520 12.607 9.738 1.00 0.00 C ATOM 1583 CD GLU A 100 16.834 11.703 10.902 1.00 0.00 C ATOM 1584 OE1 GLU A 100 17.043 10.492 10.699 1.00 0.00 O1- ATOM 1585 OE2 GLU A 100 16.897 12.193 12.048 1.00 0.00 O ATOM 0 H GLU A 100 16.249 12.833 7.208 1.00 0.00 H new ATOM 0 HA GLU A 100 13.600 13.330 8.047 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.516 12.992 10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.688 11.660 9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 100 17.052 12.255 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.887 13.611 9.952 1.00 0.00 H new ATOM 1592 N ALA A 101 15.663 15.819 8.392 1.00 0.00 N ATOM 1593 CA ALA A 101 15.693 17.261 8.688 1.00 0.00 C ATOM 1594 C ALA A 101 14.693 17.994 7.818 1.00 0.00 C ATOM 1595 O ALA A 101 14.118 19.007 8.226 1.00 0.00 O ATOM 1596 CB ALA A 101 17.081 17.843 8.479 1.00 0.00 C ATOM 0 H ALA A 101 16.518 15.455 7.972 1.00 0.00 H new ATOM 0 HA ALA A 101 15.426 17.390 9.737 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.067 18.909 8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.789 17.341 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.384 17.697 7.442 1.00 0.00 H new ATOM 1602 N VAL A 102 14.492 17.482 6.613 1.00 0.00 N ATOM 1603 CA VAL A 102 13.524 18.053 5.714 1.00 0.00 C ATOM 1604 C VAL A 102 12.101 17.814 6.213 1.00 0.00 C ATOM 1605 O VAL A 102 11.322 18.767 6.360 1.00 0.00 O ATOM 1606 CB VAL A 102 13.657 17.514 4.264 1.00 0.00 C ATOM 1607 CG1 VAL A 102 12.496 17.988 3.417 1.00 0.00 C ATOM 1608 CG2 VAL A 102 14.949 17.982 3.631 1.00 0.00 C ATOM 0 H VAL A 102 14.990 16.672 6.243 1.00 0.00 H new ATOM 0 HA VAL A 102 13.730 19.123 5.693 1.00 0.00 H new ATOM 0 HB VAL A 102 13.656 16.425 4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.604 17.602 2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.561 17.626 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 102 12.486 19.078 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 102 15.019 17.591 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 102 14.967 19.071 3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 102 15.793 17.621 4.218 1.00 0.00 H new ATOM 1618 N LYS A 103 11.767 16.549 6.517 1.00 0.00 N ATOM 1619 CA LYS A 103 10.396 16.224 6.898 1.00 0.00 C ATOM 1620 C LYS A 103 10.003 16.907 8.189 1.00 0.00 C ATOM 1621 O LYS A 103 8.853 17.206 8.373 1.00 0.00 O ATOM 1622 CB LYS A 103 10.102 14.713 6.976 1.00 0.00 C ATOM 1623 CG LYS A 103 10.715 13.991 8.165 1.00 0.00 C ATOM 1624 CD LYS A 103 10.227 12.549 8.260 1.00 0.00 C ATOM 1625 CE LYS A 103 10.613 11.721 7.038 1.00 0.00 C ATOM 1626 NZ LYS A 103 10.158 10.317 7.148 1.00 0.00 N1+ ATOM 0 H LYS A 103 12.412 15.759 6.506 1.00 0.00 H new ATOM 0 HA LYS A 103 9.779 16.610 6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 103 9.022 14.571 7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.462 14.242 6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.801 14.003 8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.463 14.522 9.083 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.643 12.086 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.143 12.542 8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.181 12.172 6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.696 11.742 6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.442 9.792 6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.589 9.877 7.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.122 10.294 7.240 1.00 0.00 H new ATOM 1640 N GLU A 104 10.981 17.178 9.059 1.00 0.00 N ATOM 1641 CA GLU A 104 10.741 17.891 10.317 1.00 0.00 C ATOM 1642 C GLU A 104 10.012 19.205 10.075 1.00 0.00 C ATOM 1643 O GLU A 104 9.010 19.489 10.719 1.00 0.00 O ATOM 1644 CB GLU A 104 12.058 18.169 11.025 1.00 0.00 C ATOM 1645 CG GLU A 104 12.693 16.962 11.681 1.00 0.00 C ATOM 1646 CD GLU A 104 11.957 16.529 12.912 1.00 0.00 C ATOM 1647 OE1 GLU A 104 12.144 17.176 13.960 1.00 0.00 O ATOM 1648 OE2 GLU A 104 11.211 15.522 12.875 1.00 0.00 O1- ATOM 0 H GLU A 104 11.955 16.911 8.913 1.00 0.00 H new ATOM 0 HA GLU A 104 10.115 17.255 10.944 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.761 18.585 10.304 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.892 18.933 11.785 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.721 16.137 10.969 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.726 17.194 11.941 1.00 0.00 H new ATOM 1655 N GLU A 105 10.475 19.955 9.081 1.00 0.00 N ATOM 1656 CA GLU A 105 9.920 21.269 8.758 1.00 0.00 C ATOM 1657 C GLU A 105 8.528 21.155 8.165 1.00 0.00 C ATOM 1658 O GLU A 105 7.725 22.094 8.222 1.00 0.00 O ATOM 1659 CB GLU A 105 10.817 21.991 7.765 1.00 0.00 C ATOM 1660 CG GLU A 105 12.224 22.207 8.254 1.00 0.00 C ATOM 1661 CD GLU A 105 12.274 22.952 9.569 1.00 0.00 C ATOM 1662 OE1 GLU A 105 11.715 24.073 9.653 1.00 0.00 O1- ATOM 1663 OE2 GLU A 105 12.852 22.424 10.550 1.00 0.00 O ATOM 0 H GLU A 105 11.245 19.671 8.475 1.00 0.00 H new ATOM 0 HA GLU A 105 9.861 21.833 9.689 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.850 21.419 6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.374 22.958 7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.717 21.242 8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.784 22.764 7.503 1.00 0.00 H new ATOM 1670 N LEU A 106 8.240 20.019 7.607 1.00 0.00 N ATOM 1671 CA LEU A 106 6.971 19.786 6.962 1.00 0.00 C ATOM 1672 C LEU A 106 5.991 19.275 7.999 1.00 0.00 C ATOM 1673 O LEU A 106 4.863 19.781 8.127 1.00 0.00 O ATOM 1674 CB LEU A 106 7.153 18.755 5.843 1.00 0.00 C ATOM 1675 CG LEU A 106 8.349 18.996 4.908 1.00 0.00 C ATOM 1676 CD1 LEU A 106 8.402 17.957 3.812 1.00 0.00 C ATOM 1677 CD2 LEU A 106 8.335 20.404 4.327 1.00 0.00 C ATOM 0 H LEU A 106 8.875 19.222 7.583 1.00 0.00 H new ATOM 0 HA LEU A 106 6.588 20.709 6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.261 17.769 6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.244 18.732 5.242 1.00 0.00 H new ATOM 0 HG LEU A 106 9.254 18.900 5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.258 18.153 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.501 16.966 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.486 18.002 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.196 20.536 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.418 20.553 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.381 21.132 5.137 1.00 0.00 H new ATOM 1689 N ASP A 107 6.483 18.331 8.793 1.00 0.00 N ATOM 1690 CA ASP A 107 5.750 17.651 9.865 1.00 0.00 C ATOM 1691 C ASP A 107 5.196 18.637 10.866 1.00 0.00 C ATOM 1692 O ASP A 107 4.163 18.391 11.461 1.00 0.00 O ATOM 1693 CB ASP A 107 6.669 16.637 10.558 1.00 0.00 C ATOM 1694 CG ASP A 107 6.013 15.892 11.688 1.00 0.00 C ATOM 1695 OD1 ASP A 107 5.271 14.913 11.415 1.00 0.00 O ATOM 1696 OD2 ASP A 107 6.284 16.211 12.859 1.00 0.00 O1- ATOM 0 H ASP A 107 7.444 18.001 8.707 1.00 0.00 H new ATOM 0 HA ASP A 107 4.904 17.125 9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.023 15.918 9.819 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.546 17.159 10.941 1.00 0.00 H new ATOM 1701 N ARG A 108 5.881 19.778 10.993 1.00 0.00 N ATOM 1702 CA ARG A 108 5.472 20.898 11.864 1.00 0.00 C ATOM 1703 C ARG A 108 3.994 21.227 11.695 1.00 0.00 C ATOM 1704 O ARG A 108 3.283 21.434 12.671 1.00 0.00 O ATOM 1705 CB ARG A 108 6.257 22.169 11.508 1.00 0.00 C ATOM 1706 CG ARG A 108 7.757 22.078 11.652 1.00 0.00 C ATOM 1707 CD ARG A 108 8.174 21.806 13.076 1.00 0.00 C ATOM 1708 NE ARG A 108 7.745 22.877 13.981 1.00 0.00 N ATOM 1709 CZ ARG A 108 8.524 23.502 14.868 1.00 0.00 C ATOM 1710 NH1 ARG A 108 9.811 23.180 14.986 1.00 0.00 N1+ ATOM 1711 NH2 ARG A 108 8.010 24.468 15.613 1.00 0.00 N ATOM 0 H ARG A 108 6.749 19.958 10.488 1.00 0.00 H new ATOM 0 HA ARG A 108 5.672 20.585 12.889 1.00 0.00 H new ATOM 0 HB2 ARG A 108 6.026 22.439 10.478 1.00 0.00 H new ATOM 0 HB3 ARG A 108 5.899 22.983 12.139 1.00 0.00 H new ATOM 0 HG2 ARG A 108 8.136 21.286 11.006 1.00 0.00 H new ATOM 0 HG3 ARG A 108 8.211 23.009 11.313 1.00 0.00 H new ATOM 0 HD2 ARG A 108 7.747 20.859 13.405 1.00 0.00 H new ATOM 0 HD3 ARG A 108 9.258 21.701 13.124 1.00 0.00 H new ATOM 0 HE ARG A 108 6.769 23.169 13.929 1.00 0.00 H new ATOM 0 HH11 ARG A 108 10.210 22.450 14.396 1.00 0.00 H new ATOM 0 HH12 ARG A 108 10.397 23.663 15.666 1.00 0.00 H new ATOM 0 HH21 ARG A 108 7.029 24.727 15.506 1.00 0.00 H new ATOM 0 HH22 ARG A 108 8.595 24.953 16.294 1.00 0.00 H new ATOM 1725 N ASP A 109 3.560 21.261 10.454 1.00 0.00 N ATOM 1726 CA ASP A 109 2.193 21.624 10.113 1.00 0.00 C ATOM 1727 C ASP A 109 1.292 20.407 10.149 1.00 0.00 C ATOM 1728 O ASP A 109 0.138 20.466 10.605 1.00 0.00 O ATOM 1729 CB ASP A 109 2.161 22.228 8.708 1.00 0.00 C ATOM 1730 CG ASP A 109 0.771 22.633 8.288 1.00 0.00 C ATOM 1731 OD1 ASP A 109 0.382 23.790 8.568 1.00 0.00 O ATOM 1732 OD2 ASP A 109 0.048 21.816 7.693 1.00 0.00 O1- ATOM 0 H ASP A 109 4.143 21.038 9.647 1.00 0.00 H new ATOM 0 HA ASP A 109 1.835 22.351 10.842 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.816 23.099 8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.557 21.504 7.995 1.00 0.00 H new ATOM 1737 N ILE A 110 1.843 19.306 9.692 1.00 0.00 N ATOM 1738 CA ILE A 110 1.130 18.055 9.545 1.00 0.00 C ATOM 1739 C ILE A 110 0.664 17.517 10.900 1.00 0.00 C ATOM 1740 O ILE A 110 -0.484 17.068 11.038 1.00 0.00 O ATOM 1741 CB ILE A 110 2.019 16.999 8.844 1.00 0.00 C ATOM 1742 CG1 ILE A 110 2.544 17.552 7.514 1.00 0.00 C ATOM 1743 CG2 ILE A 110 1.221 15.720 8.592 1.00 0.00 C ATOM 1744 CD1 ILE A 110 3.596 16.684 6.862 1.00 0.00 C ATOM 0 H ILE A 110 2.820 19.253 9.406 1.00 0.00 H new ATOM 0 HA ILE A 110 0.252 18.250 8.930 1.00 0.00 H new ATOM 0 HB ILE A 110 2.864 16.768 9.493 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.707 17.671 6.826 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.960 18.545 7.684 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.857 14.985 8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.870 15.317 9.542 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.365 15.945 7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.917 17.142 5.926 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.452 16.585 7.530 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.179 15.698 6.659 1.00 0.00 H new ATOM 1973 N ILE B 206 25.476 15.950 8.488 1.00 0.00 N ATOM 1974 CA ILE B 206 25.884 15.854 7.110 1.00 0.00 C ATOM 1975 C ILE B 206 26.258 17.262 6.760 1.00 0.00 C ATOM 1976 O ILE B 206 25.741 18.179 7.387 1.00 0.00 O ATOM 1977 CB ILE B 206 24.710 15.458 6.176 1.00 0.00 C ATOM 1978 CG1 ILE B 206 23.785 14.396 6.803 1.00 0.00 C ATOM 1979 CG2 ILE B 206 25.251 14.955 4.843 1.00 0.00 C ATOM 1980 CD1 ILE B 206 24.422 13.031 7.036 1.00 0.00 C ATOM 0 HA ILE B 206 26.669 15.108 6.990 1.00 0.00 H new ATOM 0 HB ILE B 206 24.110 16.354 6.019 1.00 0.00 H new ATOM 0 HG12 ILE B 206 23.419 14.775 7.757 1.00 0.00 H new ATOM 0 HG13 ILE B 206 22.917 14.268 6.157 1.00 0.00 H new ATOM 0 HG21 ILE B 206 24.420 14.679 4.194 1.00 0.00 H new ATOM 0 HG22 ILE B 206 25.837 15.742 4.368 1.00 0.00 H new ATOM 0 HG23 ILE B 206 25.884 14.084 5.013 1.00 0.00 H new ATOM 0 HD11 ILE B 206 23.688 12.358 7.480 1.00 0.00 H new ATOM 0 HD12 ILE B 206 24.762 12.621 6.085 1.00 0.00 H new ATOM 0 HD13 ILE B 206 25.272 13.136 7.710 1.00 0.00 H new ATOM 1992 N ASP B 207 27.090 17.461 5.786 1.00 0.00 N ATOM 1993 CA ASP B 207 27.536 18.810 5.467 1.00 0.00 C ATOM 1994 C ASP B 207 26.565 19.509 4.539 1.00 0.00 C ATOM 1995 O ASP B 207 26.581 20.733 4.414 1.00 0.00 O ATOM 1996 CB ASP B 207 28.916 18.754 4.847 1.00 0.00 C ATOM 1997 CG ASP B 207 29.533 20.126 4.592 1.00 0.00 C ATOM 1998 OD1 ASP B 207 29.819 20.866 5.559 1.00 0.00 O1- ATOM 1999 OD2 ASP B 207 29.755 20.492 3.403 1.00 0.00 O ATOM 0 H ASP B 207 27.479 16.726 5.195 1.00 0.00 H new ATOM 0 HA ASP B 207 27.577 19.387 6.391 1.00 0.00 H new ATOM 0 HB2 ASP B 207 29.576 18.185 5.502 1.00 0.00 H new ATOM 0 HB3 ASP B 207 28.859 18.211 3.904 1.00 0.00 H new ATOM 2004 N ILE B 208 25.693 18.734 3.918 1.00 0.00 N ATOM 2005 CA ILE B 208 24.764 19.283 2.948 1.00 0.00 C ATOM 2006 C ILE B 208 23.684 20.098 3.659 1.00 0.00 C ATOM 2007 O ILE B 208 23.788 21.318 3.746 1.00 0.00 O ATOM 2008 CB ILE B 208 24.064 18.196 2.084 1.00 0.00 C ATOM 2009 CG1 ILE B 208 24.993 17.014 1.801 1.00 0.00 C ATOM 2010 CG2 ILE B 208 23.642 18.819 0.767 1.00 0.00 C ATOM 2011 CD1 ILE B 208 24.321 15.885 1.036 1.00 0.00 C ATOM 0 H ILE B 208 25.609 17.728 4.067 1.00 0.00 H new ATOM 0 HA ILE B 208 25.358 19.909 2.283 1.00 0.00 H new ATOM 0 HB ILE B 208 23.201 17.823 2.635 1.00 0.00 H new ATOM 0 HG12 ILE B 208 25.853 17.366 1.232 1.00 0.00 H new ATOM 0 HG13 ILE B 208 25.373 16.626 2.746 1.00 0.00 H new ATOM 0 HG21 ILE B 208 23.149 18.067 0.150 1.00 0.00 H new ATOM 0 HG22 ILE B 208 22.952 19.641 0.958 1.00 0.00 H new ATOM 0 HG23 ILE B 208 24.521 19.197 0.245 1.00 0.00 H new ATOM 0 HD11 ILE B 208 25.038 15.081 0.870 1.00 0.00 H new ATOM 0 HD12 ILE B 208 23.477 15.506 1.613 1.00 0.00 H new ATOM 0 HD13 ILE B 208 23.965 16.258 0.075 1.00 0.00 H new ATOM 2023 N MET B 209 22.685 19.380 4.232 1.00 0.00 N ATOM 2024 CA MET B 209 21.510 19.978 4.908 1.00 0.00 C ATOM 2025 C MET B 209 20.620 20.775 3.903 1.00 0.00 C ATOM 2026 O MET B 209 21.111 21.329 2.922 1.00 0.00 O ATOM 2027 CB MET B 209 21.932 20.846 6.126 1.00 0.00 C ATOM 2028 CG MET B 209 22.699 20.102 7.250 1.00 0.00 C ATOM 2029 SD MET B 209 21.669 19.227 8.485 1.00 0.00 S ATOM 2030 CE MET B 209 20.899 17.906 7.552 1.00 0.00 C ATOM 0 H MET B 209 22.674 18.360 4.237 1.00 0.00 H new ATOM 0 HA MET B 209 20.903 19.161 5.296 1.00 0.00 H new ATOM 0 HB2 MET B 209 22.556 21.664 5.767 1.00 0.00 H new ATOM 0 HB3 MET B 209 21.037 21.293 6.557 1.00 0.00 H new ATOM 0 HG2 MET B 209 23.369 19.378 6.787 1.00 0.00 H new ATOM 0 HG3 MET B 209 23.324 20.824 7.775 1.00 0.00 H new ATOM 0 HE1 MET B 209 20.701 17.061 8.212 1.00 0.00 H new ATOM 0 HE2 MET B 209 19.961 18.261 7.126 1.00 0.00 H new ATOM 0 HE3 MET B 209 21.566 17.591 6.749 1.00 0.00 H new ATOM 2040 N PRO B 210 19.298 20.791 4.103 1.00 0.00 N ATOM 2041 CA PRO B 210 18.377 21.516 3.203 1.00 0.00 C ATOM 2042 C PRO B 210 18.461 23.037 3.389 1.00 0.00 C ATOM 2043 O PRO B 210 18.891 23.518 4.446 1.00 0.00 O ATOM 2044 CB PRO B 210 17.008 21.005 3.634 1.00 0.00 C ATOM 2045 CG PRO B 210 17.176 20.632 5.067 1.00 0.00 C ATOM 2046 CD PRO B 210 18.577 20.122 5.203 1.00 0.00 C ATOM 0 HA PRO B 210 18.606 21.345 2.151 1.00 0.00 H new ATOM 0 HB2 PRO B 210 16.243 21.772 3.512 1.00 0.00 H new ATOM 0 HB3 PRO B 210 16.699 20.148 3.036 1.00 0.00 H new ATOM 0 HG2 PRO B 210 17.010 21.492 5.715 1.00 0.00 H new ATOM 0 HG3 PRO B 210 16.454 19.869 5.358 1.00 0.00 H new ATOM 0 HD2 PRO B 210 19.003 20.375 6.174 1.00 0.00 H new ATOM 0 HD3 PRO B 210 18.620 19.037 5.109 1.00 0.00 H new ATOM 2054 N ASP B 211 18.070 23.791 2.372 1.00 0.00 N ATOM 2055 CA ASP B 211 18.122 25.258 2.469 1.00 0.00 C ATOM 2056 C ASP B 211 16.792 25.839 2.883 1.00 0.00 C ATOM 2057 O ASP B 211 16.704 26.540 3.889 1.00 0.00 O ATOM 2058 CB ASP B 211 18.552 25.926 1.162 1.00 0.00 C ATOM 2059 CG ASP B 211 19.929 25.573 0.710 1.00 0.00 C ATOM 2060 OD1 ASP B 211 20.903 25.838 1.436 1.00 0.00 O1- ATOM 2061 OD2 ASP B 211 20.068 25.010 -0.378 1.00 0.00 O ATOM 0 H ASP B 211 17.719 23.430 1.485 1.00 0.00 H new ATOM 0 HA ASP B 211 18.872 25.465 3.232 1.00 0.00 H new ATOM 0 HB2 ASP B 211 17.845 25.652 0.379 1.00 0.00 H new ATOM 0 HB3 ASP B 211 18.489 27.007 1.284 1.00 0.00 H new ATOM 2066 N PHE B 212 15.760 25.539 2.094 1.00 0.00 N ATOM 2067 CA PHE B 212 14.390 26.057 2.297 1.00 0.00 C ATOM 2068 C PHE B 212 14.300 27.566 2.081 1.00 0.00 C ATOM 2069 O PHE B 212 14.467 28.351 3.009 1.00 0.00 O ATOM 2070 CB PHE B 212 13.779 25.691 3.664 1.00 0.00 C ATOM 2071 CG PHE B 212 13.580 24.233 3.898 1.00 0.00 C ATOM 2072 CD1 PHE B 212 12.706 23.509 3.112 1.00 0.00 C ATOM 2073 CD2 PHE B 212 14.244 23.590 4.922 1.00 0.00 C ATOM 2074 CE1 PHE B 212 12.501 22.170 3.344 1.00 0.00 C ATOM 2075 CE2 PHE B 212 14.041 22.250 5.153 1.00 0.00 C ATOM 2076 CZ PHE B 212 13.169 21.543 4.363 1.00 0.00 C ATOM 0 H PHE B 212 15.844 24.924 1.285 1.00 0.00 H new ATOM 0 HA PHE B 212 13.798 25.554 1.533 1.00 0.00 H new ATOM 0 HB2 PHE B 212 14.424 26.084 4.450 1.00 0.00 H new ATOM 0 HB3 PHE B 212 12.816 26.193 3.760 1.00 0.00 H new ATOM 0 HD1 PHE B 212 12.178 23.999 2.307 1.00 0.00 H new ATOM 0 HD2 PHE B 212 14.929 24.144 5.547 1.00 0.00 H new ATOM 0 HE1 PHE B 212 11.814 21.613 2.724 1.00 0.00 H new ATOM 0 HE2 PHE B 212 14.567 21.754 5.955 1.00 0.00 H new ATOM 0 HZ PHE B 212 13.009 20.491 4.545 1.00 0.00 H new ATOM 2086 N SER B 213 14.089 27.956 0.851 1.00 0.00 N ATOM 2087 CA SER B 213 13.918 29.341 0.451 1.00 0.00 C ATOM 2088 C SER B 213 13.255 29.315 -0.918 1.00 0.00 C ATOM 2089 O SER B 213 13.262 28.268 -1.545 1.00 0.00 O ATOM 2090 CB SER B 213 15.297 30.035 0.336 1.00 0.00 C ATOM 2091 OG SER B 213 15.994 30.037 1.577 1.00 0.00 O ATOM 0 H SER B 213 14.028 27.303 0.070 1.00 0.00 H new ATOM 0 HA SER B 213 13.320 29.887 1.181 1.00 0.00 H new ATOM 0 HB2 SER B 213 15.898 29.526 -0.417 1.00 0.00 H new ATOM 0 HB3 SER B 213 15.160 31.061 -0.005 1.00 0.00 H new ATOM 0 HG SER B 213 15.391 29.743 2.291 1.00 0.00 H new ATOM 2097 N PRO B 214 12.606 30.389 -1.367 1.00 0.00 N ATOM 2098 CA PRO B 214 12.151 30.470 -2.750 1.00 0.00 C ATOM 2099 C PRO B 214 13.301 30.865 -3.623 1.00 0.00 C ATOM 2100 O PRO B 214 14.310 31.411 -3.125 1.00 0.00 O ATOM 2101 CB PRO B 214 11.187 31.640 -2.764 1.00 0.00 C ATOM 2102 CG PRO B 214 11.572 32.487 -1.596 1.00 0.00 C ATOM 2103 CD PRO B 214 12.221 31.578 -0.582 1.00 0.00 C ATOM 0 HA PRO B 214 11.724 29.528 -3.092 1.00 0.00 H new ATOM 0 HB2 PRO B 214 11.262 32.199 -3.696 1.00 0.00 H new ATOM 0 HB3 PRO B 214 10.155 31.300 -2.679 1.00 0.00 H new ATOM 0 HG2 PRO B 214 12.260 33.275 -1.902 1.00 0.00 H new ATOM 0 HG3 PRO B 214 10.696 32.976 -1.170 1.00 0.00 H new ATOM 0 HD2 PRO B 214 13.088 32.050 -0.120 1.00 0.00 H new ATOM 0 HD3 PRO B 214 11.532 31.320 0.222 1.00 0.00 H new ATOM 2111 N SER B 215 13.218 30.607 -4.872 1.00 0.00 N ATOM 2112 CA SER B 215 14.175 31.149 -5.708 1.00 0.00 C ATOM 2113 C SER B 215 13.688 32.506 -6.182 1.00 0.00 C ATOM 2114 O SER B 215 12.495 32.849 -6.134 1.00 0.00 O ATOM 2115 CB SER B 215 14.472 30.255 -6.900 1.00 0.00 C ATOM 2116 OG SER B 215 13.368 30.228 -7.792 1.00 0.00 O ATOM 0 H SER B 215 12.504 30.032 -5.318 1.00 0.00 H new ATOM 0 HA SER B 215 15.105 31.248 -5.149 1.00 0.00 H new ATOM 0 HB2 SER B 215 15.358 30.617 -7.421 1.00 0.00 H new ATOM 0 HB3 SER B 215 14.694 29.244 -6.557 1.00 0.00 H new ATOM 0 HG SER B 215 12.819 29.437 -7.609 1.00 0.00 H new ATOM 2122 N GLY B 216 14.605 33.217 -6.635 1.00 0.00 N ATOM 2123 CA GLY B 216 14.413 34.512 -7.206 1.00 0.00 C ATOM 2124 C GLY B 216 13.937 34.391 -8.628 1.00 0.00 C ATOM 2125 O GLY B 216 13.589 35.384 -9.272 1.00 0.00 O ATOM 0 H GLY B 216 15.581 32.921 -6.632 1.00 0.00 H new ATOM 0 HA2 GLY B 216 13.685 35.072 -6.618 1.00 0.00 H new ATOM 0 HA3 GLY B 216 15.347 35.073 -7.175 1.00 0.00 H new ATOM 2129 N LEU B 217 13.954 33.168 -9.137 1.00 0.00 N ATOM 2130 CA LEU B 217 13.415 32.891 -10.441 1.00 0.00 C ATOM 2131 C LEU B 217 11.934 32.924 -10.261 1.00 0.00 C ATOM 2132 O LEU B 217 11.219 33.673 -10.898 1.00 0.00 O ATOM 2133 CB LEU B 217 13.753 31.457 -10.897 1.00 0.00 C ATOM 2134 CG LEU B 217 15.174 30.949 -10.701 1.00 0.00 C ATOM 2135 CD1 LEU B 217 15.292 29.538 -11.206 1.00 0.00 C ATOM 2136 CD2 LEU B 217 16.180 31.825 -11.382 1.00 0.00 C ATOM 0 H LEU B 217 14.339 32.355 -8.657 1.00 0.00 H new ATOM 0 HA LEU B 217 13.811 33.601 -11.167 1.00 0.00 H new ATOM 0 HB2 LEU B 217 13.082 30.776 -10.373 1.00 0.00 H new ATOM 0 HB3 LEU B 217 13.518 31.383 -11.959 1.00 0.00 H new ATOM 0 HG LEU B 217 15.387 30.972 -9.632 1.00 0.00 H new ATOM 0 HD11 LEU B 217 16.313 29.184 -11.061 1.00 0.00 H new ATOM 0 HD12 LEU B 217 14.604 28.896 -10.656 1.00 0.00 H new ATOM 0 HD13 LEU B 217 15.045 29.510 -12.267 1.00 0.00 H new ATOM 0 HD21 LEU B 217 17.181 31.426 -11.217 1.00 0.00 H new ATOM 0 HD22 LEU B 217 15.973 31.853 -12.452 1.00 0.00 H new ATOM 0 HD23 LEU B 217 16.119 32.834 -10.974 1.00 0.00 H new ATOM 2148 N LEU B 218 11.530 32.154 -9.280 1.00 0.00 N ATOM 2149 CA LEU B 218 10.168 31.835 -8.951 1.00 0.00 C ATOM 2150 C LEU B 218 9.265 33.055 -8.838 1.00 0.00 C ATOM 2151 O LEU B 218 8.139 33.065 -9.373 1.00 0.00 O ATOM 2152 CB LEU B 218 10.159 31.073 -7.658 1.00 0.00 C ATOM 2153 CG LEU B 218 9.148 29.924 -7.618 1.00 0.00 C ATOM 2154 CD1 LEU B 218 9.442 28.901 -8.692 1.00 0.00 C ATOM 2155 CD2 LEU B 218 9.139 29.269 -6.287 1.00 0.00 C ATOM 0 H LEU B 218 12.193 31.704 -8.649 1.00 0.00 H new ATOM 0 HA LEU B 218 9.765 31.238 -9.769 1.00 0.00 H new ATOM 0 HB2 LEU B 218 11.156 30.672 -7.478 1.00 0.00 H new ATOM 0 HB3 LEU B 218 9.941 31.763 -6.843 1.00 0.00 H new ATOM 0 HG LEU B 218 8.163 30.351 -7.805 1.00 0.00 H new ATOM 0 HD11 LEU B 218 8.708 28.097 -8.639 1.00 0.00 H new ATOM 0 HD12 LEU B 218 9.390 29.376 -9.671 1.00 0.00 H new ATOM 0 HD13 LEU B 218 10.441 28.491 -8.541 1.00 0.00 H new ATOM 0 HD21 LEU B 218 8.412 28.457 -6.286 1.00 0.00 H new ATOM 0 HD22 LEU B 218 10.130 28.870 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU B 218 8.868 29.999 -5.524 1.00 0.00 H new ATOM 2167 N GLU B 219 9.751 34.076 -8.166 1.00 0.00 N ATOM 2168 CA GLU B 219 9.008 35.315 -7.982 1.00 0.00 C ATOM 2169 C GLU B 219 8.677 35.999 -9.322 1.00 0.00 C ATOM 2170 O GLU B 219 7.654 36.665 -9.453 1.00 0.00 O ATOM 2171 CB GLU B 219 9.762 36.253 -7.034 1.00 0.00 C ATOM 2172 CG GLU B 219 11.182 36.553 -7.462 1.00 0.00 C ATOM 2173 CD GLU B 219 11.929 37.375 -6.453 1.00 0.00 C ATOM 2174 OE1 GLU B 219 12.561 36.806 -5.559 1.00 0.00 O1- ATOM 2175 OE2 GLU B 219 11.909 38.615 -6.545 1.00 0.00 O ATOM 0 H GLU B 219 10.673 34.076 -7.729 1.00 0.00 H new ATOM 0 HA GLU B 219 8.051 35.065 -7.523 1.00 0.00 H new ATOM 0 HB2 GLU B 219 9.212 37.191 -6.955 1.00 0.00 H new ATOM 0 HB3 GLU B 219 9.780 35.809 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU B 219 11.713 35.616 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU B 219 11.166 37.082 -8.415 1.00 0.00 H new ATOM 2182 N LEU B 220 9.505 35.777 -10.315 1.00 0.00 N ATOM 2183 CA LEU B 220 9.313 36.374 -11.625 1.00 0.00 C ATOM 2184 C LEU B 220 8.579 35.395 -12.552 1.00 0.00 C ATOM 2185 O LEU B 220 7.822 35.800 -13.441 1.00 0.00 O ATOM 2186 CB LEU B 220 10.680 36.722 -12.240 1.00 0.00 C ATOM 2187 CG LEU B 220 11.626 37.579 -11.381 1.00 0.00 C ATOM 2188 CD1 LEU B 220 12.932 37.830 -12.113 1.00 0.00 C ATOM 2189 CD2 LEU B 220 10.976 38.893 -10.989 1.00 0.00 C ATOM 0 H LEU B 220 10.329 35.180 -10.243 1.00 0.00 H new ATOM 0 HA LEU B 220 8.716 37.279 -11.513 1.00 0.00 H new ATOM 0 HB2 LEU B 220 11.191 35.790 -12.483 1.00 0.00 H new ATOM 0 HB3 LEU B 220 10.507 37.245 -13.181 1.00 0.00 H new ATOM 0 HG LEU B 220 11.840 37.025 -10.467 1.00 0.00 H new ATOM 0 HD11 LEU B 220 13.588 38.438 -11.489 1.00 0.00 H new ATOM 0 HD12 LEU B 220 13.417 36.878 -12.329 1.00 0.00 H new ATOM 0 HD13 LEU B 220 12.731 38.355 -13.047 1.00 0.00 H new ATOM 0 HD21 LEU B 220 11.670 39.476 -10.383 1.00 0.00 H new ATOM 0 HD22 LEU B 220 10.720 39.454 -11.887 1.00 0.00 H new ATOM 0 HD23 LEU B 220 10.071 38.694 -10.415 1.00 0.00 H new ATOM 2201 N GLU B 221 8.792 34.116 -12.308 1.00 0.00 N ATOM 2202 CA GLU B 221 8.273 33.046 -13.157 1.00 0.00 C ATOM 2203 C GLU B 221 6.812 32.729 -12.909 1.00 0.00 C ATOM 2204 O GLU B 221 6.115 32.265 -13.809 1.00 0.00 O ATOM 2205 CB GLU B 221 9.116 31.797 -12.993 1.00 0.00 C ATOM 2206 CG GLU B 221 10.561 32.024 -13.355 1.00 0.00 C ATOM 2207 CD GLU B 221 10.726 32.509 -14.759 1.00 0.00 C ATOM 2208 OE1 GLU B 221 10.744 31.675 -15.675 1.00 0.00 O1- ATOM 2209 OE2 GLU B 221 10.850 33.716 -14.969 1.00 0.00 O ATOM 0 H GLU B 221 9.333 33.782 -11.511 1.00 0.00 H new ATOM 0 HA GLU B 221 8.336 33.408 -14.183 1.00 0.00 H new ATOM 0 HB2 GLU B 221 9.053 31.453 -11.961 1.00 0.00 H new ATOM 0 HB3 GLU B 221 8.709 31.003 -13.619 1.00 0.00 H new ATOM 0 HG2 GLU B 221 10.995 32.751 -12.669 1.00 0.00 H new ATOM 0 HG3 GLU B 221 11.115 31.094 -13.227 1.00 0.00 H new ATOM 2461 N PRO C 315 -4.572 23.913 -0.535 1.00 0.00 N ATOM 2462 CA PRO C 315 -3.159 24.360 -0.583 1.00 0.00 C ATOM 2463 C PRO C 315 -2.476 24.334 0.786 1.00 0.00 C ATOM 2464 O PRO C 315 -3.009 24.852 1.759 1.00 0.00 O ATOM 2465 CB PRO C 315 -3.258 25.806 -1.089 1.00 0.00 C ATOM 2466 CG PRO C 315 -4.684 26.193 -0.902 1.00 0.00 C ATOM 2467 CD PRO C 315 -5.470 24.940 -1.083 1.00 0.00 C ATOM 0 HA PRO C 315 -2.558 23.704 -1.212 1.00 0.00 H new ATOM 0 HB2 PRO C 315 -2.595 26.465 -0.528 1.00 0.00 H new ATOM 0 HB3 PRO C 315 -2.966 25.877 -2.137 1.00 0.00 H new ATOM 0 HG2 PRO C 315 -4.848 26.618 0.088 1.00 0.00 H new ATOM 0 HG3 PRO C 315 -4.982 26.950 -1.627 1.00 0.00 H new ATOM 0 HD2 PRO C 315 -6.419 24.976 -0.547 1.00 0.00 H new ATOM 0 HD3 PRO C 315 -5.703 24.756 -2.132 1.00 0.00 H new ATOM 2475 N GLY C 316 -1.298 23.743 0.833 1.00 0.00 N ATOM 2476 CA GLY C 316 -0.563 23.596 2.064 1.00 0.00 C ATOM 2477 C GLY C 316 0.047 24.899 2.549 1.00 0.00 C ATOM 2478 O GLY C 316 0.234 25.840 1.772 1.00 0.00 O ATOM 0 H GLY C 316 -0.828 23.353 0.016 1.00 0.00 H new ATOM 0 HA2 GLY C 316 -1.228 23.204 2.833 1.00 0.00 H new ATOM 0 HA3 GLY C 316 0.229 22.861 1.922 1.00 0.00 H new ATOM 2482 N SER C 317 0.424 24.916 3.814 1.00 0.00 N ATOM 2483 CA SER C 317 0.940 26.095 4.514 1.00 0.00 C ATOM 2484 C SER C 317 2.303 26.626 3.997 1.00 0.00 C ATOM 2485 O SER C 317 2.903 27.486 4.624 1.00 0.00 O ATOM 2486 CB SER C 317 1.041 25.758 5.989 1.00 0.00 C ATOM 2487 OG SER C 317 -0.191 25.224 6.443 1.00 0.00 O ATOM 0 H SER C 317 0.381 24.088 4.408 1.00 0.00 H new ATOM 0 HA SER C 317 0.238 26.906 4.322 1.00 0.00 H new ATOM 0 HB2 SER C 317 1.843 25.038 6.153 1.00 0.00 H new ATOM 0 HB3 SER C 317 1.293 26.652 6.560 1.00 0.00 H new ATOM 0 HG SER C 317 -0.114 24.983 7.390 1.00 0.00 H new ATOM 2493 N ARG C 318 2.787 26.139 2.873 1.00 0.00 N ATOM 2494 CA ARG C 318 4.021 26.678 2.328 1.00 0.00 C ATOM 2495 C ARG C 318 3.746 27.345 0.994 1.00 0.00 C ATOM 2496 O ARG C 318 4.653 27.837 0.313 1.00 0.00 O ATOM 2497 CB ARG C 318 5.144 25.634 2.234 1.00 0.00 C ATOM 2498 CG ARG C 318 5.440 24.945 3.562 1.00 0.00 C ATOM 2499 CD ARG C 318 6.791 24.247 3.568 1.00 0.00 C ATOM 2500 NE ARG C 318 7.910 25.208 3.604 1.00 0.00 N ATOM 2501 CZ ARG C 318 8.682 25.466 4.687 1.00 0.00 C ATOM 2502 NH1 ARG C 318 8.373 24.922 5.871 1.00 0.00 N1+ ATOM 2503 NH2 ARG C 318 9.726 26.300 4.588 1.00 0.00 N ATOM 0 H ARG C 318 2.360 25.390 2.329 1.00 0.00 H new ATOM 0 HA ARG C 318 4.390 27.430 3.025 1.00 0.00 H new ATOM 0 HB2 ARG C 318 4.870 24.881 1.495 1.00 0.00 H new ATOM 0 HB3 ARG C 318 6.052 26.118 1.874 1.00 0.00 H new ATOM 0 HG2 ARG C 318 5.412 25.682 4.364 1.00 0.00 H new ATOM 0 HG3 ARG C 318 4.657 24.216 3.772 1.00 0.00 H new ATOM 0 HD2 ARG C 318 6.853 23.586 4.432 1.00 0.00 H new ATOM 0 HD3 ARG C 318 6.879 23.621 2.680 1.00 0.00 H new ATOM 0 HE ARG C 318 8.119 25.718 2.746 1.00 0.00 H new ATOM 0 HH11 ARG C 318 7.558 24.315 5.956 1.00 0.00 H new ATOM 0 HH12 ARG C 318 8.953 25.115 6.688 1.00 0.00 H new ATOM 0 HH21 ARG C 318 9.942 26.743 3.695 1.00 0.00 H new ATOM 0 HH22 ARG C 318 10.305 26.492 5.406 1.00 0.00 H new ATOM 2517 N TRP C 319 2.485 27.357 0.626 1.00 0.00 N ATOM 2518 CA TRP C 319 2.041 28.039 -0.550 1.00 0.00 C ATOM 2519 C TRP C 319 1.790 29.483 -0.177 1.00 0.00 C ATOM 2520 O TRP C 319 0.955 29.774 0.678 1.00 0.00 O ATOM 2521 CB TRP C 319 0.773 27.380 -1.081 1.00 0.00 C ATOM 2522 CG TRP C 319 0.215 28.005 -2.316 1.00 0.00 C ATOM 2523 CD1 TRP C 319 0.795 28.049 -3.544 1.00 0.00 C ATOM 2524 CD2 TRP C 319 -1.057 28.641 -2.450 1.00 0.00 C ATOM 2525 NE1 TRP C 319 -0.035 28.676 -4.430 1.00 0.00 N ATOM 2526 CE2 TRP C 319 -1.184 29.039 -3.787 1.00 0.00 C ATOM 2527 CE3 TRP C 319 -2.101 28.905 -1.568 1.00 0.00 C ATOM 2528 CZ2 TRP C 319 -2.319 29.689 -4.266 1.00 0.00 C ATOM 2529 CZ3 TRP C 319 -3.222 29.545 -2.040 1.00 0.00 C ATOM 2530 CH2 TRP C 319 -3.328 29.931 -3.379 1.00 0.00 C ATOM 0 H TRP C 319 1.741 26.889 1.143 1.00 0.00 H new ATOM 0 HA TRP C 319 2.792 27.989 -1.338 1.00 0.00 H new ATOM 0 HB2 TRP C 319 0.984 26.330 -1.285 1.00 0.00 H new ATOM 0 HB3 TRP C 319 0.012 27.407 -0.301 1.00 0.00 H new ATOM 0 HD1 TRP C 319 1.768 27.648 -3.784 1.00 0.00 H new ATOM 0 HE1 TRP C 319 0.171 28.846 -5.415 1.00 0.00 H new ATOM 0 HE3 TRP C 319 -2.031 28.612 -0.531 1.00 0.00 H new ATOM 0 HZ2 TRP C 319 -2.398 29.990 -5.300 1.00 0.00 H new ATOM 0 HZ3 TRP C 319 -4.037 29.754 -1.363 1.00 0.00 H new ATOM 0 HH2 TRP C 319 -4.224 30.430 -3.718 1.00 0.00 H new ATOM 2541 N ASP C 320 2.546 30.372 -0.777 1.00 0.00 N ATOM 2542 CA ASP C 320 2.471 31.797 -0.454 1.00 0.00 C ATOM 2543 C ASP C 320 1.153 32.418 -0.904 1.00 0.00 C ATOM 2544 O ASP C 320 0.635 33.328 -0.267 1.00 0.00 O ATOM 2545 CB ASP C 320 3.647 32.554 -1.063 1.00 0.00 C ATOM 2546 CG ASP C 320 3.665 34.014 -0.666 1.00 0.00 C ATOM 2547 OD1 ASP C 320 4.116 34.329 0.449 1.00 0.00 O ATOM 2548 OD2 ASP C 320 3.253 34.870 -1.465 1.00 0.00 O1- ATOM 0 H ASP C 320 3.229 30.141 -1.499 1.00 0.00 H new ATOM 0 HA ASP C 320 2.521 31.881 0.632 1.00 0.00 H new ATOM 0 HB2 ASP C 320 4.579 32.084 -0.749 1.00 0.00 H new ATOM 0 HB3 ASP C 320 3.601 32.477 -2.149 1.00 0.00 H new ATOM 2553 N GLY C 321 0.604 31.902 -1.971 1.00 0.00 N ATOM 2554 CA GLY C 321 -0.639 32.441 -2.471 1.00 0.00 C ATOM 2555 C GLY C 321 -0.549 32.822 -3.925 1.00 0.00 C ATOM 2556 O GLY C 321 -1.190 33.773 -4.381 1.00 0.00 O ATOM 0 H GLY C 321 0.987 31.122 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY C 321 -1.432 31.705 -2.338 1.00 0.00 H new ATOM 0 HA3 GLY C 321 -0.916 33.317 -1.884 1.00 0.00 H new