USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=29 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 10 ASN : amide:sc= -0.169 K(o=0.46,f=-1.1!) USER MOD Set 1.2: A 86 HIS : no HE2:sc= 0.631 K(o=0.46,f=-6.4!) USER MOD Set 2.1: A 12 TYR OH : rot 12:sc= 0.958 USER MOD Set 2.2: A 58 LYS NZ :NH3+ -142:sc= 0.214 (180deg=-0.626) USER MOD Set 2.3: A 89 TYR OH : rot 130:sc= 0 USER MOD Single : A 14 TYR OH : rot -34:sc= 0.139 USER MOD Single : A 17 ASN : amide:sc= 1.37 K(o=1.4,f=-7.2!) USER MOD Single : A 19 ASN : amide:sc= 0.877 K(o=0.88,f=-0.52) USER MOD Single : A 23 THR OG1 : rot 150:sc= 0.229 USER MOD Single : A 29 THR OG1 : rot -36:sc= 0.733 USER MOD Single : A 32 SER OG : rot 88:sc= 0.722 USER MOD Single : A 34 TYR OH : rot 30:sc= -0.645 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 162:sc= -0.0834 USER MOD Single : A 52 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.56) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 1.19 K(o=1.2,f=-1) USER MOD Single : A 64 SER OG : rot -146:sc= 0.0336 USER MOD Single : A 65 THR OG1 : rot -132:sc= 0.808 USER MOD Single : A 71 ASN : amide:sc= -1.58! C(o=-1.6!,f=-6.3!) USER MOD Single : A 73 ASN : amide:sc= -0.446 K(o=-0.45,f=-6.6!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -170:sc= 1.47 (180deg=1.4) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -151:sc= 0.816 (180deg=0.377) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.0427 F(o=-1.3!,f=-0.043) USER MOD Single : A 97 LYS NZ :NH3+ 140:sc= 1.25 (180deg=1.14) USER MOD Single : A 98 TYR OH : rot 17:sc= 1.51 USER MOD Single : A 99 TYR OH : rot 151:sc= 1 USER MOD Single : A 103 LYS NZ :NH3+ -172:sc= 1.24 (180deg=0.92) USER MOD Single : B 209 MET CE :methyl 145:sc= -0.736 (180deg=-2.48!) USER MOD Single : B 213 SER OG : rot 180:sc= 0 USER MOD Single : B 215 SER OG : rot -90:sc= 1.16 USER MOD Single : C 317 SER OG : rot 87:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 128 N ASN A 10 3.836 3.475 -6.152 1.00 0.00 N ATOM 129 CA ASN A 10 4.786 4.588 -6.126 1.00 0.00 C ATOM 130 C ASN A 10 4.063 5.875 -5.729 1.00 0.00 C ATOM 131 O ASN A 10 3.056 6.260 -6.336 1.00 0.00 O ATOM 132 CB ASN A 10 5.563 4.777 -7.465 1.00 0.00 C ATOM 133 CG ASN A 10 4.840 5.597 -8.542 1.00 0.00 C ATOM 134 OD1 ASN A 10 4.969 6.808 -8.582 1.00 0.00 O ATOM 135 ND2 ASN A 10 4.100 4.959 -9.414 1.00 0.00 N ATOM 0 HA ASN A 10 5.541 4.343 -5.379 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.516 5.258 -7.246 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.790 3.793 -7.875 1.00 0.00 H new ATOM 0 HD21 ASN A 10 3.616 5.476 -10.148 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.008 3.945 -9.359 1.00 0.00 H new ATOM 142 N ALA A 11 4.521 6.490 -4.674 1.00 0.00 N ATOM 143 CA ALA A 11 3.922 7.726 -4.215 1.00 0.00 C ATOM 144 C ALA A 11 4.861 8.903 -4.443 1.00 0.00 C ATOM 145 O ALA A 11 4.469 10.067 -4.287 1.00 0.00 O ATOM 146 CB ALA A 11 3.548 7.605 -2.752 1.00 0.00 C ATOM 0 H ALA A 11 5.306 6.161 -4.112 1.00 0.00 H new ATOM 0 HA ALA A 11 3.016 7.912 -4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.098 8.538 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.834 6.791 -2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.442 7.399 -2.164 1.00 0.00 H new ATOM 152 N TYR A 12 6.084 8.592 -4.834 1.00 0.00 N ATOM 153 CA TYR A 12 7.103 9.597 -5.069 1.00 0.00 C ATOM 154 C TYR A 12 7.115 10.047 -6.499 1.00 0.00 C ATOM 155 O TYR A 12 6.865 9.268 -7.419 1.00 0.00 O ATOM 156 CB TYR A 12 8.499 9.094 -4.702 1.00 0.00 C ATOM 157 CG TYR A 12 8.900 9.292 -3.265 1.00 0.00 C ATOM 158 CD1 TYR A 12 9.501 10.478 -2.871 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.716 8.302 -2.313 1.00 0.00 C ATOM 160 CE1 TYR A 12 9.905 10.678 -1.574 1.00 0.00 C ATOM 161 CE2 TYR A 12 9.126 8.493 -1.008 1.00 0.00 C ATOM 162 CZ TYR A 12 9.720 9.688 -0.645 1.00 0.00 C ATOM 163 OH TYR A 12 10.153 9.876 0.645 1.00 0.00 O ATOM 0 H TYR A 12 6.398 7.635 -4.997 1.00 0.00 H new ATOM 0 HA TYR A 12 6.848 10.439 -4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.556 8.031 -4.934 1.00 0.00 H new ATOM 0 HB3 TYR A 12 9.227 9.598 -5.337 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.654 11.261 -3.599 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.247 7.371 -2.595 1.00 0.00 H new ATOM 0 HE1 TYR A 12 10.366 11.611 -1.287 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.983 7.713 -0.275 1.00 0.00 H new ATOM 0 HH TYR A 12 10.389 10.818 0.777 1.00 0.00 H new ATOM 173 N ILE A 13 7.404 11.287 -6.685 1.00 0.00 N ATOM 174 CA ILE A 13 7.510 11.839 -7.990 1.00 0.00 C ATOM 175 C ILE A 13 8.893 12.396 -8.237 1.00 0.00 C ATOM 176 O ILE A 13 9.534 12.954 -7.334 1.00 0.00 O ATOM 177 CB ILE A 13 6.441 12.913 -8.264 1.00 0.00 C ATOM 178 CG1 ILE A 13 6.446 13.988 -7.163 1.00 0.00 C ATOM 179 CG2 ILE A 13 5.076 12.268 -8.418 1.00 0.00 C ATOM 180 CD1 ILE A 13 5.406 15.061 -7.330 1.00 0.00 C ATOM 0 H ILE A 13 7.575 11.952 -5.931 1.00 0.00 H new ATOM 0 HA ILE A 13 7.333 11.020 -8.687 1.00 0.00 H new ATOM 0 HB ILE A 13 6.680 13.415 -9.202 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.296 13.502 -6.199 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.430 14.456 -7.135 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.329 13.038 -8.611 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.097 11.566 -9.251 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.820 11.736 -7.502 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.484 15.774 -6.509 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.565 15.578 -8.276 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.414 14.610 -7.326 1.00 0.00 H new ATOM 192 N TYR A 14 9.338 12.187 -9.437 1.00 0.00 N ATOM 193 CA TYR A 14 10.588 12.662 -9.946 1.00 0.00 C ATOM 194 C TYR A 14 10.386 14.049 -10.483 1.00 0.00 C ATOM 195 O TYR A 14 9.468 14.280 -11.260 1.00 0.00 O ATOM 196 CB TYR A 14 11.069 11.712 -11.071 1.00 0.00 C ATOM 197 CG TYR A 14 12.107 12.292 -12.025 1.00 0.00 C ATOM 198 CD1 TYR A 14 13.461 12.291 -11.723 1.00 0.00 C ATOM 199 CD2 TYR A 14 11.708 12.831 -13.250 1.00 0.00 C ATOM 200 CE1 TYR A 14 14.384 12.810 -12.612 1.00 0.00 C ATOM 201 CE2 TYR A 14 12.617 13.353 -14.136 1.00 0.00 C ATOM 202 CZ TYR A 14 13.955 13.339 -13.815 1.00 0.00 C ATOM 203 OH TYR A 14 14.873 13.849 -14.702 1.00 0.00 O ATOM 0 H TYR A 14 8.810 11.651 -10.126 1.00 0.00 H new ATOM 0 HA TYR A 14 11.342 12.685 -9.159 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.485 10.815 -10.611 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.202 11.399 -11.653 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.798 11.880 -10.783 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.659 12.837 -13.506 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.436 12.802 -12.368 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.286 13.770 -15.075 1.00 0.00 H new ATOM 0 HH TYR A 14 15.612 14.261 -14.207 1.00 0.00 H new ATOM 213 N ILE A 15 11.201 14.950 -10.053 1.00 0.00 N ATOM 214 CA ILE A 15 11.166 16.303 -10.510 1.00 0.00 C ATOM 215 C ILE A 15 12.492 16.579 -11.199 1.00 0.00 C ATOM 216 O ILE A 15 13.557 16.363 -10.610 1.00 0.00 O ATOM 217 CB ILE A 15 11.003 17.288 -9.327 1.00 0.00 C ATOM 218 CG1 ILE A 15 9.826 16.864 -8.432 1.00 0.00 C ATOM 219 CG2 ILE A 15 10.780 18.707 -9.858 1.00 0.00 C ATOM 220 CD1 ILE A 15 9.719 17.648 -7.142 1.00 0.00 C ATOM 0 H ILE A 15 11.926 14.766 -9.360 1.00 0.00 H new ATOM 0 HA ILE A 15 10.320 16.441 -11.184 1.00 0.00 H new ATOM 0 HB ILE A 15 11.914 17.271 -8.729 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.898 16.978 -8.992 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.927 15.805 -8.194 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.666 19.395 -9.020 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.636 19.008 -10.461 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.879 18.729 -10.471 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.865 17.289 -6.568 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.630 17.515 -6.559 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.585 18.706 -7.369 1.00 0.00 H new ATOM 232 N GLY A 16 12.438 17.006 -12.421 1.00 0.00 N ATOM 233 CA GLY A 16 13.637 17.273 -13.157 1.00 0.00 C ATOM 234 C GLY A 16 13.538 18.543 -13.953 1.00 0.00 C ATOM 235 O GLY A 16 12.489 19.214 -13.931 1.00 0.00 O ATOM 0 H GLY A 16 11.573 17.178 -12.934 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.478 17.342 -12.467 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.843 16.440 -13.828 1.00 0.00 H new ATOM 239 N ASN A 17 14.619 18.851 -14.664 1.00 0.00 N ATOM 240 CA ASN A 17 14.772 20.043 -15.517 1.00 0.00 C ATOM 241 C ASN A 17 14.731 21.313 -14.664 1.00 0.00 C ATOM 242 O ASN A 17 14.167 22.334 -15.058 1.00 0.00 O ATOM 243 CB ASN A 17 13.692 20.108 -16.619 1.00 0.00 C ATOM 244 CG ASN A 17 14.096 21.030 -17.766 1.00 0.00 C ATOM 245 OD1 ASN A 17 15.255 21.091 -18.147 1.00 0.00 O ATOM 246 ND2 ASN A 17 13.189 21.813 -18.250 1.00 0.00 N ATOM 0 H ASN A 17 15.449 18.259 -14.667 1.00 0.00 H new ATOM 0 HA ASN A 17 15.741 19.969 -16.010 1.00 0.00 H new ATOM 0 HB2 ASN A 17 13.510 19.106 -17.007 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.754 20.457 -16.187 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.435 22.498 -18.964 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.227 21.746 -17.918 1.00 0.00 H new ATOM 253 N LEU A 18 15.356 21.256 -13.512 1.00 0.00 N ATOM 254 CA LEU A 18 15.393 22.392 -12.621 1.00 0.00 C ATOM 255 C LEU A 18 16.682 23.176 -12.774 1.00 0.00 C ATOM 256 O LEU A 18 17.756 22.612 -13.078 1.00 0.00 O ATOM 257 CB LEU A 18 15.222 21.960 -11.162 1.00 0.00 C ATOM 258 CG LEU A 18 13.868 21.385 -10.767 1.00 0.00 C ATOM 259 CD1 LEU A 18 13.928 20.831 -9.360 1.00 0.00 C ATOM 260 CD2 LEU A 18 12.788 22.449 -10.858 1.00 0.00 C ATOM 0 H LEU A 18 15.848 20.431 -13.168 1.00 0.00 H new ATOM 0 HA LEU A 18 14.559 23.038 -12.896 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.985 21.215 -10.937 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.422 22.823 -10.527 1.00 0.00 H new ATOM 0 HG LEU A 18 13.622 20.579 -11.458 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.955 20.423 -9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.679 20.042 -9.311 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.194 21.628 -8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.828 22.019 -10.572 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.031 23.272 -10.186 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.729 22.821 -11.881 1.00 0.00 H new ATOM 272 N ASN A 19 16.559 24.472 -12.586 1.00 0.00 N ATOM 273 CA ASN A 19 17.670 25.416 -12.583 1.00 0.00 C ATOM 274 C ASN A 19 18.538 25.142 -11.349 1.00 0.00 C ATOM 275 O ASN A 19 18.102 24.452 -10.421 1.00 0.00 O ATOM 276 CB ASN A 19 17.114 26.841 -12.504 1.00 0.00 C ATOM 277 CG ASN A 19 16.276 27.268 -13.688 1.00 0.00 C ATOM 278 OD1 ASN A 19 15.110 26.944 -13.767 1.00 0.00 O ATOM 279 ND2 ASN A 19 16.825 28.066 -14.548 1.00 0.00 N ATOM 0 H ASN A 19 15.656 24.918 -12.425 1.00 0.00 H new ATOM 0 HA ASN A 19 18.264 25.305 -13.490 1.00 0.00 H new ATOM 0 HB2 ASN A 19 16.511 26.930 -11.601 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.948 27.535 -12.400 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.274 28.441 -15.320 1.00 0.00 H new ATOM 0 HD22 ASN A 19 17.809 28.319 -14.453 1.00 0.00 H new ATOM 286 N ARG A 20 19.712 25.725 -11.294 1.00 0.00 N ATOM 287 CA ARG A 20 20.656 25.419 -10.224 1.00 0.00 C ATOM 288 C ARG A 20 20.266 26.156 -8.943 1.00 0.00 C ATOM 289 O ARG A 20 20.445 25.657 -7.846 1.00 0.00 O ATOM 290 CB ARG A 20 22.072 25.813 -10.642 1.00 0.00 C ATOM 291 CG ARG A 20 23.157 24.864 -10.163 1.00 0.00 C ATOM 292 CD ARG A 20 22.995 23.513 -10.843 1.00 0.00 C ATOM 293 NE ARG A 20 24.035 22.549 -10.489 1.00 0.00 N ATOM 294 CZ ARG A 20 24.187 21.359 -11.074 1.00 0.00 C ATOM 295 NH1 ARG A 20 23.536 21.082 -12.201 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 24.975 20.448 -10.523 1.00 0.00 N ATOM 0 H ARG A 20 20.044 26.412 -11.971 1.00 0.00 H new ATOM 0 HA ARG A 20 20.628 24.346 -10.033 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.113 25.872 -11.730 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.286 26.811 -10.260 1.00 0.00 H new ATOM 0 HG2 ARG A 20 24.140 25.278 -10.386 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.099 24.746 -9.081 1.00 0.00 H new ATOM 0 HD2 ARG A 20 22.022 23.098 -10.580 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.998 23.657 -11.923 1.00 0.00 H new ATOM 0 HE ARG A 20 24.687 22.802 -9.747 1.00 0.00 H new ATOM 0 HH11 ARG A 20 22.920 21.779 -12.619 1.00 0.00 H new ATOM 0 HH12 ARG A 20 23.653 20.172 -12.647 1.00 0.00 H new ATOM 0 HH21 ARG A 20 25.465 20.656 -9.653 1.00 0.00 H new ATOM 0 HH22 ARG A 20 25.092 19.538 -10.969 1.00 0.00 H new ATOM 310 N GLU A 21 19.718 27.336 -9.107 1.00 0.00 N ATOM 311 CA GLU A 21 19.304 28.170 -7.991 1.00 0.00 C ATOM 312 C GLU A 21 17.955 27.747 -7.379 1.00 0.00 C ATOM 313 O GLU A 21 17.507 28.328 -6.369 1.00 0.00 O ATOM 314 CB GLU A 21 19.326 29.682 -8.340 1.00 0.00 C ATOM 315 CG GLU A 21 18.754 30.065 -9.695 1.00 0.00 C ATOM 316 CD GLU A 21 19.709 29.823 -10.852 1.00 0.00 C ATOM 317 OE1 GLU A 21 19.729 28.700 -11.412 1.00 0.00 O1- ATOM 318 OE2 GLU A 21 20.466 30.744 -11.215 1.00 0.00 O ATOM 0 H GLU A 21 19.543 27.752 -10.022 1.00 0.00 H new ATOM 0 HA GLU A 21 20.054 28.006 -7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.773 30.220 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.358 30.030 -8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.839 29.498 -9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.478 31.119 -9.678 1.00 0.00 H new ATOM 325 N LEU A 22 17.312 26.749 -7.964 1.00 0.00 N ATOM 326 CA LEU A 22 16.076 26.243 -7.398 1.00 0.00 C ATOM 327 C LEU A 22 16.421 25.156 -6.391 1.00 0.00 C ATOM 328 O LEU A 22 17.033 24.129 -6.732 1.00 0.00 O ATOM 329 CB LEU A 22 15.158 25.685 -8.494 1.00 0.00 C ATOM 330 CG LEU A 22 14.705 26.681 -9.569 1.00 0.00 C ATOM 331 CD1 LEU A 22 13.926 25.983 -10.643 1.00 0.00 C ATOM 332 CD2 LEU A 22 13.846 27.770 -8.973 1.00 0.00 C ATOM 0 H LEU A 22 17.620 26.281 -8.816 1.00 0.00 H new ATOM 0 HA LEU A 22 15.541 27.055 -6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.674 24.861 -8.986 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.271 25.267 -8.018 1.00 0.00 H new ATOM 0 HG LEU A 22 15.603 27.126 -9.998 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.614 26.707 -11.395 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.551 25.222 -11.109 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.046 25.512 -10.206 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.539 28.462 -9.758 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.962 27.326 -8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.415 28.309 -8.216 1.00 0.00 H new ATOM 344 N THR A 23 16.075 25.408 -5.166 1.00 0.00 N ATOM 345 CA THR A 23 16.348 24.502 -4.077 1.00 0.00 C ATOM 346 C THR A 23 15.035 23.900 -3.499 1.00 0.00 C ATOM 347 O THR A 23 13.949 24.168 -4.005 1.00 0.00 O ATOM 348 CB THR A 23 17.225 25.212 -2.992 1.00 0.00 C ATOM 349 OG1 THR A 23 17.508 24.359 -1.876 1.00 0.00 O ATOM 350 CG2 THR A 23 16.557 26.456 -2.502 1.00 0.00 C ATOM 0 H THR A 23 15.588 26.259 -4.884 1.00 0.00 H new ATOM 0 HA THR A 23 16.924 23.657 -4.454 1.00 0.00 H new ATOM 0 HB THR A 23 18.169 25.465 -3.474 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.376 24.602 -1.490 1.00 0.00 H new ATOM 0 HG21 THR A 23 17.184 26.933 -1.749 1.00 0.00 H new ATOM 0 HG22 THR A 23 16.407 27.141 -3.336 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.592 26.202 -2.063 1.00 0.00 H new ATOM 358 N GLU A 24 15.172 23.154 -2.413 1.00 0.00 N ATOM 359 CA GLU A 24 14.096 22.424 -1.713 1.00 0.00 C ATOM 360 C GLU A 24 12.909 23.340 -1.405 1.00 0.00 C ATOM 361 O GLU A 24 11.769 23.062 -1.778 1.00 0.00 O ATOM 362 CB GLU A 24 14.653 21.952 -0.383 1.00 0.00 C ATOM 363 CG GLU A 24 15.964 21.207 -0.494 1.00 0.00 C ATOM 364 CD GLU A 24 16.843 21.462 0.684 1.00 0.00 C ATOM 365 OE1 GLU A 24 16.572 22.435 1.414 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 17.841 20.725 0.877 1.00 0.00 O ATOM 0 H GLU A 24 16.079 23.027 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 24 13.760 21.603 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.792 22.815 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.919 21.305 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.769 20.138 -0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.479 21.510 -1.405 1.00 0.00 H new ATOM 373 N GLY A 25 13.217 24.454 -0.747 1.00 0.00 N ATOM 374 CA GLY A 25 12.204 25.393 -0.295 1.00 0.00 C ATOM 375 C GLY A 25 11.461 26.045 -1.426 1.00 0.00 C ATOM 376 O GLY A 25 10.281 26.410 -1.276 1.00 0.00 O ATOM 0 H GLY A 25 14.172 24.727 -0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.493 24.871 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.677 26.164 0.314 1.00 0.00 H new ATOM 380 N ASP A 26 12.135 26.159 -2.550 1.00 0.00 N ATOM 381 CA ASP A 26 11.577 26.773 -3.746 1.00 0.00 C ATOM 382 C ASP A 26 10.499 25.874 -4.287 1.00 0.00 C ATOM 383 O ASP A 26 9.347 26.271 -4.449 1.00 0.00 O ATOM 384 CB ASP A 26 12.661 26.926 -4.797 1.00 0.00 C ATOM 385 CG ASP A 26 12.176 27.653 -5.996 1.00 0.00 C ATOM 386 OD1 ASP A 26 11.647 27.020 -6.903 1.00 0.00 O ATOM 387 OD2 ASP A 26 12.361 28.886 -6.030 1.00 0.00 O1- ATOM 0 H ASP A 26 13.093 25.827 -2.665 1.00 0.00 H new ATOM 0 HA ASP A 26 11.170 27.754 -3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.509 27.460 -4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.021 25.940 -5.092 1.00 0.00 H new ATOM 392 N ILE A 27 10.891 24.627 -4.474 1.00 0.00 N ATOM 393 CA ILE A 27 10.034 23.555 -4.954 1.00 0.00 C ATOM 394 C ILE A 27 8.797 23.434 -4.068 1.00 0.00 C ATOM 395 O ILE A 27 7.681 23.211 -4.552 1.00 0.00 O ATOM 396 CB ILE A 27 10.836 22.238 -4.942 1.00 0.00 C ATOM 397 CG1 ILE A 27 12.034 22.373 -5.875 1.00 0.00 C ATOM 398 CG2 ILE A 27 9.974 21.044 -5.343 1.00 0.00 C ATOM 399 CD1 ILE A 27 13.065 21.312 -5.678 1.00 0.00 C ATOM 0 H ILE A 27 11.846 24.321 -4.290 1.00 0.00 H new ATOM 0 HA ILE A 27 9.703 23.772 -5.970 1.00 0.00 H new ATOM 0 HB ILE A 27 11.181 22.053 -3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.686 22.343 -6.907 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.495 23.349 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.577 20.136 -5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.143 20.944 -4.645 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.585 21.198 -6.350 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.888 21.471 -6.375 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.441 21.356 -4.656 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.620 20.334 -5.859 1.00 0.00 H new ATOM 411 N LEU A 28 8.997 23.625 -2.774 1.00 0.00 N ATOM 412 CA LEU A 28 7.908 23.612 -1.826 1.00 0.00 C ATOM 413 C LEU A 28 6.905 24.695 -2.163 1.00 0.00 C ATOM 414 O LEU A 28 5.727 24.424 -2.264 1.00 0.00 O ATOM 415 CB LEU A 28 8.410 23.795 -0.404 1.00 0.00 C ATOM 416 CG LEU A 28 9.326 22.704 0.122 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.736 23.007 1.534 1.00 0.00 C ATOM 418 CD2 LEU A 28 8.641 21.359 0.055 1.00 0.00 C ATOM 0 H LEU A 28 9.914 23.792 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 28 7.422 22.639 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.939 24.746 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.548 23.869 0.258 1.00 0.00 H new ATOM 0 HG LEU A 28 10.218 22.670 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.392 22.217 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.264 23.960 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.850 23.064 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.312 20.589 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.735 21.382 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.381 21.134 -0.979 1.00 0.00 H new ATOM 430 N THR A 29 7.387 25.898 -2.389 1.00 0.00 N ATOM 431 CA THR A 29 6.541 27.023 -2.747 1.00 0.00 C ATOM 432 C THR A 29 5.763 26.769 -4.061 1.00 0.00 C ATOM 433 O THR A 29 4.624 27.234 -4.228 1.00 0.00 O ATOM 434 CB THR A 29 7.392 28.322 -2.788 1.00 0.00 C ATOM 435 OG1 THR A 29 7.800 28.620 -1.442 1.00 0.00 O ATOM 436 CG2 THR A 29 6.631 29.512 -3.362 1.00 0.00 C ATOM 0 H THR A 29 8.379 26.127 -2.330 1.00 0.00 H new ATOM 0 HA THR A 29 5.776 27.148 -1.981 1.00 0.00 H new ATOM 0 HB THR A 29 8.246 28.152 -3.444 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.082 28.377 -0.821 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.277 30.390 -3.365 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.320 29.287 -4.382 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.751 29.711 -2.750 1.00 0.00 H new ATOM 444 N VAL A 30 6.348 25.992 -4.940 1.00 0.00 N ATOM 445 CA VAL A 30 5.711 25.625 -6.187 1.00 0.00 C ATOM 446 C VAL A 30 4.586 24.589 -5.933 1.00 0.00 C ATOM 447 O VAL A 30 3.427 24.785 -6.347 1.00 0.00 O ATOM 448 CB VAL A 30 6.748 25.032 -7.182 1.00 0.00 C ATOM 449 CG1 VAL A 30 6.121 24.750 -8.528 1.00 0.00 C ATOM 450 CG2 VAL A 30 7.927 25.963 -7.340 1.00 0.00 C ATOM 0 H VAL A 30 7.279 25.595 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 30 5.279 26.526 -6.623 1.00 0.00 H new ATOM 0 HB VAL A 30 7.099 24.087 -6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.873 24.336 -9.200 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.308 24.034 -8.408 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.729 25.676 -8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.641 25.530 -8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.583 26.925 -7.721 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.409 26.107 -6.373 1.00 0.00 H new ATOM 460 N PHE A 31 4.930 23.524 -5.220 1.00 0.00 N ATOM 461 CA PHE A 31 4.015 22.402 -4.948 1.00 0.00 C ATOM 462 C PHE A 31 2.926 22.727 -3.922 1.00 0.00 C ATOM 463 O PHE A 31 1.864 22.111 -3.917 1.00 0.00 O ATOM 464 CB PHE A 31 4.799 21.125 -4.548 1.00 0.00 C ATOM 465 CG PHE A 31 5.491 20.440 -5.713 1.00 0.00 C ATOM 466 CD1 PHE A 31 6.505 21.072 -6.416 1.00 0.00 C ATOM 467 CD2 PHE A 31 5.108 19.167 -6.113 1.00 0.00 C ATOM 468 CE1 PHE A 31 7.116 20.460 -7.491 1.00 0.00 C ATOM 469 CE2 PHE A 31 5.722 18.553 -7.184 1.00 0.00 C ATOM 470 CZ PHE A 31 6.722 19.200 -7.876 1.00 0.00 C ATOM 0 H PHE A 31 5.855 23.405 -4.808 1.00 0.00 H new ATOM 0 HA PHE A 31 3.491 22.212 -5.885 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.545 21.388 -3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.112 20.420 -4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.822 22.060 -6.117 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.322 18.653 -5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.902 20.969 -8.029 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.418 17.560 -7.482 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.196 18.719 -8.719 1.00 0.00 H new ATOM 480 N SER A 32 3.158 23.716 -3.097 1.00 0.00 N ATOM 481 CA SER A 32 2.191 24.079 -2.070 1.00 0.00 C ATOM 482 C SER A 32 0.930 24.749 -2.637 1.00 0.00 C ATOM 483 O SER A 32 -0.018 24.981 -1.909 1.00 0.00 O ATOM 484 CB SER A 32 2.825 24.940 -0.998 1.00 0.00 C ATOM 485 OG SER A 32 3.920 24.282 -0.404 1.00 0.00 O ATOM 0 H SER A 32 4.002 24.288 -3.109 1.00 0.00 H new ATOM 0 HA SER A 32 1.866 23.143 -1.616 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.155 25.884 -1.432 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.084 25.182 -0.236 1.00 0.00 H new ATOM 0 HG SER A 32 4.734 24.477 -0.913 1.00 0.00 H new ATOM 491 N GLU A 33 0.946 25.076 -3.917 1.00 0.00 N ATOM 492 CA GLU A 33 -0.201 25.696 -4.570 1.00 0.00 C ATOM 493 C GLU A 33 -1.357 24.687 -4.664 1.00 0.00 C ATOM 494 O GLU A 33 -2.508 25.011 -4.344 1.00 0.00 O ATOM 495 CB GLU A 33 0.236 26.211 -5.958 1.00 0.00 C ATOM 496 CG GLU A 33 -0.756 27.087 -6.751 1.00 0.00 C ATOM 497 CD GLU A 33 -1.975 26.365 -7.293 1.00 0.00 C ATOM 498 OE1 GLU A 33 -1.822 25.295 -7.932 1.00 0.00 O ATOM 499 OE2 GLU A 33 -3.101 26.896 -7.151 1.00 0.00 O1- ATOM 0 H GLU A 33 1.745 24.922 -4.532 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.561 26.545 -3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.155 26.782 -5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.482 25.345 -6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.093 27.899 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.224 27.543 -7.586 1.00 0.00 H new ATOM 506 N TYR A 34 -1.051 23.451 -5.048 1.00 0.00 N ATOM 507 CA TYR A 34 -2.103 22.466 -5.189 1.00 0.00 C ATOM 508 C TYR A 34 -2.416 21.828 -3.842 1.00 0.00 C ATOM 509 O TYR A 34 -3.555 21.437 -3.584 1.00 0.00 O ATOM 510 CB TYR A 34 -1.783 21.378 -6.262 1.00 0.00 C ATOM 511 CG TYR A 34 -0.647 20.422 -5.918 1.00 0.00 C ATOM 512 CD1 TYR A 34 -0.873 19.305 -5.112 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.637 20.636 -6.386 1.00 0.00 C ATOM 514 CE1 TYR A 34 0.142 18.444 -4.779 1.00 0.00 C ATOM 515 CE2 TYR A 34 1.662 19.770 -6.059 1.00 0.00 C ATOM 516 CZ TYR A 34 1.407 18.675 -5.249 1.00 0.00 C ATOM 517 OH TYR A 34 2.424 17.811 -4.907 1.00 0.00 O ATOM 0 H TYR A 34 -0.110 23.120 -5.260 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.986 22.996 -5.547 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.685 20.792 -6.438 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.540 21.879 -7.199 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.870 19.114 -4.742 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.840 21.490 -7.015 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.056 17.589 -4.150 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.660 19.946 -6.434 1.00 0.00 H new ATOM 0 HH TYR A 34 2.058 16.912 -4.771 1.00 0.00 H new ATOM 527 N GLY A 35 -1.418 21.741 -2.983 1.00 0.00 N ATOM 528 CA GLY A 35 -1.622 21.099 -1.730 1.00 0.00 C ATOM 529 C GLY A 35 -0.484 21.276 -0.774 1.00 0.00 C ATOM 530 O GLY A 35 0.174 22.302 -0.763 1.00 0.00 O ATOM 0 H GLY A 35 -0.478 22.105 -3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.532 21.490 -1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.782 20.034 -1.899 1.00 0.00 H new ATOM 534 N VAL A 36 -0.251 20.270 0.010 1.00 0.00 N ATOM 535 CA VAL A 36 0.754 20.307 1.044 1.00 0.00 C ATOM 536 C VAL A 36 1.964 19.479 0.640 1.00 0.00 C ATOM 537 O VAL A 36 1.822 18.326 0.249 1.00 0.00 O ATOM 538 CB VAL A 36 0.174 19.737 2.367 1.00 0.00 C ATOM 539 CG1 VAL A 36 1.210 19.733 3.487 1.00 0.00 C ATOM 540 CG2 VAL A 36 -1.059 20.518 2.777 1.00 0.00 C ATOM 0 H VAL A 36 -0.756 19.386 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 36 1.058 21.344 1.188 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.108 18.700 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.763 19.327 4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.060 19.117 3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.548 20.752 3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.457 20.109 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.794 21.565 2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.814 20.443 1.995 1.00 0.00 H new ATOM 550 N PRO A 37 3.160 20.046 0.700 1.00 0.00 N ATOM 551 CA PRO A 37 4.357 19.297 0.438 1.00 0.00 C ATOM 552 C PRO A 37 4.719 18.446 1.657 1.00 0.00 C ATOM 553 O PRO A 37 5.185 18.946 2.685 1.00 0.00 O ATOM 554 CB PRO A 37 5.400 20.359 0.170 1.00 0.00 C ATOM 555 CG PRO A 37 4.945 21.549 0.950 1.00 0.00 C ATOM 556 CD PRO A 37 3.442 21.456 1.024 1.00 0.00 C ATOM 0 HA PRO A 37 4.261 18.602 -0.396 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.389 20.031 0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.468 20.586 -0.894 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.384 21.551 1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.254 22.474 0.464 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.073 21.720 2.015 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.964 22.132 0.315 1.00 0.00 H new ATOM 564 N VAL A 38 4.438 17.186 1.545 1.00 0.00 N ATOM 565 CA VAL A 38 4.624 16.245 2.620 1.00 0.00 C ATOM 566 C VAL A 38 6.079 15.836 2.791 1.00 0.00 C ATOM 567 O VAL A 38 6.632 15.886 3.894 1.00 0.00 O ATOM 568 CB VAL A 38 3.722 14.998 2.387 1.00 0.00 C ATOM 569 CG1 VAL A 38 4.100 13.808 3.265 1.00 0.00 C ATOM 570 CG2 VAL A 38 2.266 15.376 2.599 1.00 0.00 C ATOM 0 H VAL A 38 4.066 16.769 0.692 1.00 0.00 H new ATOM 0 HA VAL A 38 4.331 16.738 3.547 1.00 0.00 H new ATOM 0 HB VAL A 38 3.878 14.676 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.433 12.973 3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.128 13.513 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.009 14.087 4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.636 14.502 2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.129 15.737 3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.988 16.161 1.896 1.00 0.00 H new ATOM 580 N ASP A 39 6.685 15.449 1.722 1.00 0.00 N ATOM 581 CA ASP A 39 8.019 14.909 1.769 1.00 0.00 C ATOM 582 C ASP A 39 8.741 15.398 0.557 1.00 0.00 C ATOM 583 O ASP A 39 8.192 15.316 -0.539 1.00 0.00 O ATOM 584 CB ASP A 39 7.869 13.407 1.682 1.00 0.00 C ATOM 585 CG ASP A 39 9.081 12.588 1.989 1.00 0.00 C ATOM 586 OD1 ASP A 39 10.041 12.578 1.234 1.00 0.00 O1- ATOM 587 OD2 ASP A 39 9.027 11.844 2.973 1.00 0.00 O ATOM 0 H ASP A 39 6.279 15.494 0.787 1.00 0.00 H new ATOM 0 HA ASP A 39 8.560 15.199 2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.074 13.105 2.364 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.537 13.157 0.674 1.00 0.00 H new ATOM 592 N VAL A 40 9.916 15.933 0.726 1.00 0.00 N ATOM 593 CA VAL A 40 10.681 16.412 -0.393 1.00 0.00 C ATOM 594 C VAL A 40 12.143 16.151 -0.134 1.00 0.00 C ATOM 595 O VAL A 40 12.585 16.134 1.016 1.00 0.00 O ATOM 596 CB VAL A 40 10.470 17.953 -0.668 1.00 0.00 C ATOM 597 CG1 VAL A 40 11.109 18.814 0.411 1.00 0.00 C ATOM 598 CG2 VAL A 40 10.992 18.359 -2.045 1.00 0.00 C ATOM 0 H VAL A 40 10.369 16.050 1.633 1.00 0.00 H new ATOM 0 HA VAL A 40 10.334 15.877 -1.277 1.00 0.00 H new ATOM 0 HB VAL A 40 9.394 18.126 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.941 19.867 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.664 18.576 1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.181 18.617 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.828 19.426 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.058 18.143 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.462 17.798 -2.815 1.00 0.00 H new ATOM 608 N ILE A 41 12.849 15.886 -1.180 1.00 0.00 N ATOM 609 CA ILE A 41 14.280 15.747 -1.163 1.00 0.00 C ATOM 610 C ILE A 41 14.827 16.302 -2.446 1.00 0.00 C ATOM 611 O ILE A 41 14.368 15.947 -3.540 1.00 0.00 O ATOM 612 CB ILE A 41 14.835 14.287 -0.914 1.00 0.00 C ATOM 613 CG1 ILE A 41 14.183 13.196 -1.812 1.00 0.00 C ATOM 614 CG2 ILE A 41 14.778 13.906 0.555 1.00 0.00 C ATOM 615 CD1 ILE A 41 12.732 12.863 -1.485 1.00 0.00 C ATOM 0 H ILE A 41 12.440 15.754 -2.105 1.00 0.00 H new ATOM 0 HA ILE A 41 14.623 16.307 -0.293 1.00 0.00 H new ATOM 0 HB ILE A 41 15.882 14.324 -1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.238 13.523 -2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 41 14.774 12.284 -1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.168 12.896 0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.380 14.605 1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.745 13.943 0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.373 12.093 -2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.664 12.500 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.120 13.758 -1.594 1.00 0.00 H new ATOM 627 N LEU A 42 15.755 17.188 -2.330 1.00 0.00 N ATOM 628 CA LEU A 42 16.328 17.827 -3.475 1.00 0.00 C ATOM 629 C LEU A 42 17.667 17.191 -3.729 1.00 0.00 C ATOM 630 O LEU A 42 18.488 17.072 -2.819 1.00 0.00 O ATOM 631 CB LEU A 42 16.406 19.363 -3.216 1.00 0.00 C ATOM 632 CG LEU A 42 16.941 20.333 -4.316 1.00 0.00 C ATOM 633 CD1 LEU A 42 18.435 20.301 -4.435 1.00 0.00 C ATOM 634 CD2 LEU A 42 16.312 20.060 -5.659 1.00 0.00 C ATOM 0 H LEU A 42 16.143 17.494 -1.438 1.00 0.00 H new ATOM 0 HA LEU A 42 15.721 17.697 -4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 42 15.401 19.696 -2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.027 19.508 -2.332 1.00 0.00 H new ATOM 0 HG LEU A 42 16.653 21.334 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 42 18.753 20.994 -5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.882 20.593 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.758 19.292 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.711 20.757 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.537 19.039 -5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.232 20.187 -5.587 1.00 0.00 H new ATOM 646 N SER A 43 17.873 16.749 -4.938 1.00 0.00 N ATOM 647 CA SER A 43 19.093 16.121 -5.294 1.00 0.00 C ATOM 648 C SER A 43 20.130 17.205 -5.487 1.00 0.00 C ATOM 649 O SER A 43 20.154 17.917 -6.500 1.00 0.00 O ATOM 650 CB SER A 43 18.917 15.250 -6.551 1.00 0.00 C ATOM 651 OG SER A 43 20.072 14.471 -6.837 1.00 0.00 O ATOM 0 H SER A 43 17.194 16.819 -5.696 1.00 0.00 H new ATOM 0 HA SER A 43 19.422 15.445 -4.505 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.061 14.589 -6.415 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.693 15.890 -7.405 1.00 0.00 H new ATOM 0 HG SER A 43 19.913 13.934 -7.641 1.00 0.00 H new ATOM 657 N ARG A 44 20.882 17.398 -4.459 1.00 0.00 N ATOM 658 CA ARG A 44 21.936 18.344 -4.401 1.00 0.00 C ATOM 659 C ARG A 44 23.180 17.581 -4.076 1.00 0.00 C ATOM 660 O ARG A 44 23.091 16.520 -3.462 1.00 0.00 O ATOM 661 CB ARG A 44 21.603 19.446 -3.362 1.00 0.00 C ATOM 662 CG ARG A 44 21.187 18.934 -1.984 1.00 0.00 C ATOM 663 CD ARG A 44 20.481 20.017 -1.150 1.00 0.00 C ATOM 664 NE ARG A 44 21.308 21.216 -0.942 1.00 0.00 N ATOM 665 CZ ARG A 44 21.204 22.062 0.094 1.00 0.00 C ATOM 666 NH1 ARG A 44 20.188 21.987 0.937 1.00 0.00 N1+ ATOM 667 NH2 ARG A 44 22.095 23.036 0.229 1.00 0.00 N ATOM 0 H ARG A 44 20.770 16.871 -3.593 1.00 0.00 H new ATOM 0 HA ARG A 44 22.077 18.866 -5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.475 20.089 -3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.800 20.067 -3.759 1.00 0.00 H new ATOM 0 HG2 ARG A 44 20.523 18.078 -2.102 1.00 0.00 H new ATOM 0 HG3 ARG A 44 22.068 18.582 -1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 44 19.555 20.304 -1.648 1.00 0.00 H new ATOM 0 HD3 ARG A 44 20.207 19.600 -0.181 1.00 0.00 H new ATOM 0 HE ARG A 44 22.019 21.421 -1.644 1.00 0.00 H new ATOM 0 HH11 ARG A 44 19.467 21.278 0.805 1.00 0.00 H new ATOM 0 HH12 ARG A 44 20.125 22.639 1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 44 22.849 23.135 -0.451 1.00 0.00 H new ATOM 0 HH22 ARG A 44 22.026 23.685 1.013 1.00 0.00 H new ATOM 681 N ASP A 45 24.313 18.053 -4.546 1.00 0.00 N ATOM 682 CA ASP A 45 25.579 17.342 -4.351 1.00 0.00 C ATOM 683 C ASP A 45 25.861 17.091 -2.881 1.00 0.00 C ATOM 684 O ASP A 45 25.690 17.974 -2.048 1.00 0.00 O ATOM 685 CB ASP A 45 26.754 18.060 -5.003 1.00 0.00 C ATOM 686 CG ASP A 45 28.057 17.330 -4.756 1.00 0.00 C ATOM 687 OD1 ASP A 45 28.310 16.303 -5.401 1.00 0.00 O ATOM 688 OD2 ASP A 45 28.838 17.760 -3.893 1.00 0.00 O1- ATOM 0 H ASP A 45 24.395 18.926 -5.068 1.00 0.00 H new ATOM 0 HA ASP A 45 25.466 16.378 -4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.580 18.144 -6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 45 26.824 19.075 -4.611 1.00 0.00 H new ATOM 693 N GLU A 46 26.309 15.897 -2.592 1.00 0.00 N ATOM 694 CA GLU A 46 26.524 15.426 -1.238 1.00 0.00 C ATOM 695 C GLU A 46 27.720 16.124 -0.551 1.00 0.00 C ATOM 696 O GLU A 46 27.821 16.135 0.679 1.00 0.00 O ATOM 697 CB GLU A 46 26.714 13.908 -1.289 1.00 0.00 C ATOM 698 CG GLU A 46 26.688 13.193 0.044 1.00 0.00 C ATOM 699 CD GLU A 46 26.854 11.707 -0.132 1.00 0.00 C ATOM 700 OE1 GLU A 46 25.919 11.035 -0.653 1.00 0.00 O ATOM 701 OE2 GLU A 46 27.906 11.173 0.246 1.00 0.00 O1- ATOM 0 H GLU A 46 26.542 15.205 -3.304 1.00 0.00 H new ATOM 0 HA GLU A 46 25.654 15.676 -0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 46 25.934 13.485 -1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 46 27.667 13.697 -1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 46 27.484 13.578 0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 46 25.746 13.399 0.552 1.00 0.00 H new ATOM 708 N ASN A 47 28.586 16.733 -1.332 1.00 0.00 N ATOM 709 CA ASN A 47 29.772 17.372 -0.791 1.00 0.00 C ATOM 710 C ASN A 47 29.590 18.864 -0.674 1.00 0.00 C ATOM 711 O ASN A 47 29.763 19.435 0.393 1.00 0.00 O ATOM 712 CB ASN A 47 31.013 17.080 -1.652 1.00 0.00 C ATOM 713 CG ASN A 47 31.452 15.634 -1.609 1.00 0.00 C ATOM 714 OD1 ASN A 47 32.249 15.243 -0.756 1.00 0.00 O ATOM 715 ND2 ASN A 47 30.982 14.837 -2.540 1.00 0.00 N ATOM 0 H ASN A 47 28.493 16.801 -2.346 1.00 0.00 H new ATOM 0 HA ASN A 47 29.924 16.953 0.204 1.00 0.00 H new ATOM 0 HB2 ASN A 47 30.802 17.356 -2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 47 31.835 17.711 -1.315 1.00 0.00 H new ATOM 0 HD21 ASN A 47 31.276 13.861 -2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 47 30.323 15.194 -3.232 1.00 0.00 H new ATOM 722 N THR A 48 29.218 19.496 -1.756 1.00 0.00 N ATOM 723 CA THR A 48 29.124 20.947 -1.773 1.00 0.00 C ATOM 724 C THR A 48 27.713 21.425 -1.420 1.00 0.00 C ATOM 725 O THR A 48 27.523 22.533 -0.923 1.00 0.00 O ATOM 726 CB THR A 48 29.632 21.550 -3.131 1.00 0.00 C ATOM 727 OG1 THR A 48 29.480 22.971 -3.177 1.00 0.00 O ATOM 728 CG2 THR A 48 28.941 20.922 -4.315 1.00 0.00 C ATOM 0 H THR A 48 28.975 19.040 -2.636 1.00 0.00 H new ATOM 0 HA THR A 48 29.790 21.323 -0.996 1.00 0.00 H new ATOM 0 HB THR A 48 30.696 21.318 -3.188 1.00 0.00 H new ATOM 0 HG1 THR A 48 29.809 23.307 -4.037 1.00 0.00 H new ATOM 0 HG21 THR A 48 29.320 21.366 -5.235 1.00 0.00 H new ATOM 0 HG22 THR A 48 29.135 19.849 -4.323 1.00 0.00 H new ATOM 0 HG23 THR A 48 27.867 21.096 -4.244 1.00 0.00 H new ATOM 736 N GLY A 49 26.732 20.577 -1.649 1.00 0.00 N ATOM 737 CA GLY A 49 25.372 20.913 -1.314 1.00 0.00 C ATOM 738 C GLY A 49 24.680 21.748 -2.363 1.00 0.00 C ATOM 739 O GLY A 49 23.603 22.277 -2.111 1.00 0.00 O ATOM 0 H GLY A 49 26.854 19.654 -2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.806 19.994 -1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.363 21.453 -0.367 1.00 0.00 H new ATOM 743 N GLU A 50 25.269 21.868 -3.533 1.00 0.00 N ATOM 744 CA GLU A 50 24.658 22.654 -4.583 1.00 0.00 C ATOM 745 C GLU A 50 23.662 21.794 -5.358 1.00 0.00 C ATOM 746 O GLU A 50 23.909 20.595 -5.569 1.00 0.00 O ATOM 747 CB GLU A 50 25.737 23.370 -5.462 1.00 0.00 C ATOM 748 CG GLU A 50 26.635 22.506 -6.359 1.00 0.00 C ATOM 749 CD GLU A 50 26.080 22.252 -7.745 1.00 0.00 C ATOM 750 OE1 GLU A 50 25.775 23.235 -8.468 1.00 0.00 O ATOM 751 OE2 GLU A 50 26.026 21.091 -8.168 1.00 0.00 O1- ATOM 0 H GLU A 50 26.160 21.437 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 50 24.080 23.471 -4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.223 24.089 -6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 50 26.383 23.941 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.607 22.991 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 50 26.804 21.548 -5.868 1.00 0.00 H new ATOM 758 N SER A 51 22.512 22.382 -5.676 1.00 0.00 N ATOM 759 CA SER A 51 21.408 21.702 -6.361 1.00 0.00 C ATOM 760 C SER A 51 21.881 21.117 -7.666 1.00 0.00 C ATOM 761 O SER A 51 22.632 21.733 -8.350 1.00 0.00 O ATOM 762 CB SER A 51 20.282 22.711 -6.646 1.00 0.00 C ATOM 763 OG SER A 51 19.130 22.080 -7.207 1.00 0.00 O ATOM 0 H SER A 51 22.314 23.360 -5.463 1.00 0.00 H new ATOM 0 HA SER A 51 21.041 20.900 -5.720 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.005 23.216 -5.721 1.00 0.00 H new ATOM 0 HB3 SER A 51 20.646 23.477 -7.331 1.00 0.00 H new ATOM 0 HG SER A 51 18.353 22.670 -7.108 1.00 0.00 H new ATOM 769 N GLN A 52 21.457 19.911 -7.986 1.00 0.00 N ATOM 770 CA GLN A 52 21.802 19.315 -9.268 1.00 0.00 C ATOM 771 C GLN A 52 20.695 19.612 -10.269 1.00 0.00 C ATOM 772 O GLN A 52 20.858 19.457 -11.486 1.00 0.00 O ATOM 773 CB GLN A 52 21.994 17.808 -9.137 1.00 0.00 C ATOM 774 CG GLN A 52 23.057 17.402 -8.133 1.00 0.00 C ATOM 775 CD GLN A 52 23.175 15.903 -7.998 1.00 0.00 C ATOM 776 OE1 GLN A 52 22.942 15.158 -8.951 1.00 0.00 O ATOM 777 NE2 GLN A 52 23.511 15.445 -6.821 1.00 0.00 N ATOM 0 H GLN A 52 20.878 19.326 -7.384 1.00 0.00 H new ATOM 0 HA GLN A 52 22.742 19.745 -9.614 1.00 0.00 H new ATOM 0 HB2 GLN A 52 21.045 17.356 -8.848 1.00 0.00 H new ATOM 0 HB3 GLN A 52 22.257 17.400 -10.113 1.00 0.00 H new ATOM 0 HG2 GLN A 52 24.019 17.814 -8.439 1.00 0.00 H new ATOM 0 HG3 GLN A 52 22.820 17.835 -7.161 1.00 0.00 H new ATOM 0 HE21 GLN A 52 23.696 16.093 -6.055 1.00 0.00 H new ATOM 0 HE22 GLN A 52 23.588 14.439 -6.668 1.00 0.00 H new ATOM 786 N GLY A 53 19.578 20.076 -9.751 1.00 0.00 N ATOM 787 CA GLY A 53 18.443 20.371 -10.584 1.00 0.00 C ATOM 788 C GLY A 53 17.518 19.184 -10.751 1.00 0.00 C ATOM 789 O GLY A 53 16.867 19.040 -11.791 1.00 0.00 O ATOM 0 H GLY A 53 19.436 20.255 -8.757 1.00 0.00 H new ATOM 0 HA2 GLY A 53 17.886 21.203 -10.152 1.00 0.00 H new ATOM 0 HA3 GLY A 53 18.791 20.696 -11.564 1.00 0.00 H new ATOM 793 N PHE A 54 17.478 18.327 -9.753 1.00 0.00 N ATOM 794 CA PHE A 54 16.591 17.172 -9.731 1.00 0.00 C ATOM 795 C PHE A 54 16.053 17.055 -8.325 1.00 0.00 C ATOM 796 O PHE A 54 16.761 17.387 -7.382 1.00 0.00 O ATOM 797 CB PHE A 54 17.333 15.861 -10.083 1.00 0.00 C ATOM 798 CG PHE A 54 17.997 15.821 -11.434 1.00 0.00 C ATOM 799 CD1 PHE A 54 17.279 15.466 -12.563 1.00 0.00 C ATOM 800 CD2 PHE A 54 19.346 16.122 -11.570 1.00 0.00 C ATOM 801 CE1 PHE A 54 17.891 15.415 -13.799 1.00 0.00 C ATOM 802 CE2 PHE A 54 19.961 16.069 -12.803 1.00 0.00 C ATOM 803 CZ PHE A 54 19.233 15.716 -13.920 1.00 0.00 C ATOM 0 H PHE A 54 18.065 18.409 -8.923 1.00 0.00 H new ATOM 0 HA PHE A 54 15.804 17.314 -10.471 1.00 0.00 H new ATOM 0 HB2 PHE A 54 18.092 15.681 -9.322 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.621 15.037 -10.025 1.00 0.00 H new ATOM 0 HD1 PHE A 54 16.229 15.227 -12.476 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.921 16.401 -10.699 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.319 15.139 -14.673 1.00 0.00 H new ATOM 0 HE2 PHE A 54 21.011 16.304 -12.894 1.00 0.00 H new ATOM 0 HZ PHE A 54 19.712 15.675 -14.887 1.00 0.00 H new ATOM 813 N ALA A 55 14.842 16.610 -8.169 1.00 0.00 N ATOM 814 CA ALA A 55 14.252 16.465 -6.855 1.00 0.00 C ATOM 815 C ALA A 55 13.240 15.354 -6.853 1.00 0.00 C ATOM 816 O ALA A 55 12.894 14.825 -7.906 1.00 0.00 O ATOM 817 CB ALA A 55 13.593 17.766 -6.418 1.00 0.00 C ATOM 0 H ALA A 55 14.231 16.336 -8.939 1.00 0.00 H new ATOM 0 HA ALA A 55 15.047 16.220 -6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.155 17.637 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.340 18.559 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.811 18.034 -7.128 1.00 0.00 H new ATOM 823 N TYR A 56 12.800 14.986 -5.681 1.00 0.00 N ATOM 824 CA TYR A 56 11.770 13.996 -5.498 1.00 0.00 C ATOM 825 C TYR A 56 10.857 14.511 -4.419 1.00 0.00 C ATOM 826 O TYR A 56 11.316 15.212 -3.511 1.00 0.00 O ATOM 827 CB TYR A 56 12.356 12.637 -5.077 1.00 0.00 C ATOM 828 CG TYR A 56 13.382 12.084 -6.029 1.00 0.00 C ATOM 829 CD1 TYR A 56 12.996 11.499 -7.219 1.00 0.00 C ATOM 830 CD2 TYR A 56 14.738 12.166 -5.744 1.00 0.00 C ATOM 831 CE1 TYR A 56 13.927 11.006 -8.103 1.00 0.00 C ATOM 832 CE2 TYR A 56 15.676 11.679 -6.623 1.00 0.00 C ATOM 833 CZ TYR A 56 15.263 11.099 -7.799 1.00 0.00 C ATOM 834 OH TYR A 56 16.194 10.613 -8.677 1.00 0.00 O ATOM 0 H TYR A 56 13.154 15.374 -4.806 1.00 0.00 H new ATOM 0 HA TYR A 56 11.239 13.837 -6.436 1.00 0.00 H new ATOM 0 HB2 TYR A 56 12.810 12.740 -4.091 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.543 11.918 -4.980 1.00 0.00 H new ATOM 0 HD1 TYR A 56 11.946 11.427 -7.459 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.061 12.619 -4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.610 10.549 -9.029 1.00 0.00 H new ATOM 0 HE2 TYR A 56 16.728 11.751 -6.392 1.00 0.00 H new ATOM 0 HH TYR A 56 17.093 10.757 -8.314 1.00 0.00 H new ATOM 844 N LEU A 57 9.599 14.215 -4.515 1.00 0.00 N ATOM 845 CA LEU A 57 8.643 14.693 -3.544 1.00 0.00 C ATOM 846 C LEU A 57 7.507 13.685 -3.458 1.00 0.00 C ATOM 847 O LEU A 57 7.333 12.880 -4.377 1.00 0.00 O ATOM 848 CB LEU A 57 8.149 16.109 -3.997 1.00 0.00 C ATOM 849 CG LEU A 57 7.365 16.988 -2.991 1.00 0.00 C ATOM 850 CD1 LEU A 57 7.510 18.446 -3.370 1.00 0.00 C ATOM 851 CD2 LEU A 57 5.888 16.638 -2.974 1.00 0.00 C ATOM 0 H LEU A 57 9.200 13.641 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 57 9.082 14.792 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.023 16.676 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.518 15.972 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 57 7.779 16.804 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.958 19.063 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.564 18.724 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.113 18.602 -4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.371 17.275 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.466 16.793 -3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.765 15.594 -2.686 1.00 0.00 H new ATOM 863 N LYS A 58 6.798 13.666 -2.349 1.00 0.00 N ATOM 864 CA LYS A 58 5.621 12.838 -2.227 1.00 0.00 C ATOM 865 C LYS A 58 4.587 13.494 -1.351 1.00 0.00 C ATOM 866 O LYS A 58 4.923 14.187 -0.373 1.00 0.00 O ATOM 867 CB LYS A 58 5.893 11.411 -1.709 1.00 0.00 C ATOM 868 CG LYS A 58 6.239 11.318 -0.262 1.00 0.00 C ATOM 869 CD LYS A 58 5.800 9.996 0.303 1.00 0.00 C ATOM 870 CE LYS A 58 5.660 10.091 1.793 1.00 0.00 C ATOM 871 NZ LYS A 58 6.954 10.105 2.527 1.00 0.00 N1+ ATOM 0 H LYS A 58 7.018 14.216 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 58 5.248 12.736 -3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.010 10.799 -1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.708 10.980 -2.290 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.315 11.436 -0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.760 12.130 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.849 9.700 -0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.525 9.224 0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.106 10.998 2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.064 9.249 2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.861 9.556 3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.695 9.683 1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.212 11.086 2.757 1.00 0.00 H new ATOM 885 N TYR A 59 3.350 13.360 -1.747 1.00 0.00 N ATOM 886 CA TYR A 59 2.249 13.705 -0.901 1.00 0.00 C ATOM 887 C TYR A 59 1.795 12.392 -0.248 1.00 0.00 C ATOM 888 O TYR A 59 1.993 11.308 -0.822 1.00 0.00 O ATOM 889 CB TYR A 59 1.093 14.351 -1.712 1.00 0.00 C ATOM 890 CG TYR A 59 -0.059 14.885 -0.852 1.00 0.00 C ATOM 891 CD1 TYR A 59 -1.078 14.057 -0.432 1.00 0.00 C ATOM 892 CD2 TYR A 59 -0.108 16.210 -0.455 1.00 0.00 C ATOM 893 CE1 TYR A 59 -2.109 14.518 0.356 1.00 0.00 C ATOM 894 CE2 TYR A 59 -1.139 16.684 0.343 1.00 0.00 C ATOM 895 CZ TYR A 59 -2.136 15.826 0.742 1.00 0.00 C ATOM 896 OH TYR A 59 -3.156 16.272 1.552 1.00 0.00 O ATOM 0 H TYR A 59 3.081 13.008 -2.666 1.00 0.00 H new ATOM 0 HA TYR A 59 2.543 14.443 -0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.496 15.170 -2.308 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.698 13.613 -2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.067 13.019 -0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.671 16.887 -0.772 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.894 13.845 0.668 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.158 17.720 0.649 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.032 17.226 1.739 1.00 0.00 H new ATOM 906 N GLU A 60 1.224 12.460 0.930 1.00 0.00 N ATOM 907 CA GLU A 60 0.757 11.271 1.592 1.00 0.00 C ATOM 908 C GLU A 60 -0.709 11.060 1.220 1.00 0.00 C ATOM 909 O GLU A 60 -1.632 11.420 1.955 1.00 0.00 O ATOM 910 CB GLU A 60 1.032 11.337 3.112 1.00 0.00 C ATOM 911 CG GLU A 60 0.884 10.023 3.878 1.00 0.00 C ATOM 912 CD GLU A 60 -0.533 9.658 4.222 1.00 0.00 C ATOM 913 OE1 GLU A 60 -1.119 10.328 5.086 1.00 0.00 O1- ATOM 914 OE2 GLU A 60 -1.078 8.696 3.641 1.00 0.00 O ATOM 0 H GLU A 60 1.073 13.326 1.448 1.00 0.00 H new ATOM 0 HA GLU A 60 1.307 10.392 1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.045 11.710 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.355 12.069 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.319 9.220 3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.463 10.087 4.799 1.00 0.00 H new ATOM 921 N ASP A 61 -0.853 10.623 -0.008 1.00 0.00 N ATOM 922 CA ASP A 61 -2.092 10.309 -0.727 1.00 0.00 C ATOM 923 C ASP A 61 -1.691 10.311 -2.184 1.00 0.00 C ATOM 924 O ASP A 61 -1.421 11.378 -2.765 1.00 0.00 O ATOM 925 CB ASP A 61 -3.209 11.348 -0.525 1.00 0.00 C ATOM 926 CG ASP A 61 -4.546 10.879 -1.038 1.00 0.00 C ATOM 927 OD1 ASP A 61 -4.791 10.925 -2.254 1.00 0.00 O ATOM 928 OD2 ASP A 61 -5.400 10.481 -0.214 1.00 0.00 O1- ATOM 0 H ASP A 61 -0.036 10.458 -0.596 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.499 9.365 -0.364 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.294 11.581 0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.935 12.272 -1.033 1.00 0.00 H new ATOM 933 N GLN A 62 -1.607 9.140 -2.761 1.00 0.00 N ATOM 934 CA GLN A 62 -1.077 8.940 -4.111 1.00 0.00 C ATOM 935 C GLN A 62 -1.885 9.703 -5.188 1.00 0.00 C ATOM 936 O GLN A 62 -1.379 9.992 -6.273 1.00 0.00 O ATOM 937 CB GLN A 62 -1.023 7.446 -4.411 1.00 0.00 C ATOM 938 CG GLN A 62 -0.263 7.065 -5.663 1.00 0.00 C ATOM 939 CD GLN A 62 -0.391 5.594 -5.971 1.00 0.00 C ATOM 940 OE1 GLN A 62 -1.410 4.979 -5.692 1.00 0.00 O ATOM 941 NE2 GLN A 62 0.638 5.012 -6.490 1.00 0.00 N ATOM 0 H GLN A 62 -1.907 8.276 -2.309 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.070 9.356 -4.146 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.568 6.938 -3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.043 7.072 -4.497 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.636 7.647 -6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.790 7.320 -5.541 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.473 5.554 -6.711 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.616 4.010 -6.679 1.00 0.00 H new ATOM 950 N ARG A 63 -3.109 10.077 -4.868 1.00 0.00 N ATOM 951 CA ARG A 63 -3.945 10.824 -5.797 1.00 0.00 C ATOM 952 C ARG A 63 -3.407 12.236 -5.980 1.00 0.00 C ATOM 953 O ARG A 63 -3.468 12.804 -7.064 1.00 0.00 O ATOM 954 CB ARG A 63 -5.377 10.882 -5.297 1.00 0.00 C ATOM 955 CG ARG A 63 -6.060 9.538 -5.223 1.00 0.00 C ATOM 956 CD ARG A 63 -7.390 9.648 -4.512 1.00 0.00 C ATOM 957 NE ARG A 63 -7.229 9.978 -3.088 1.00 0.00 N ATOM 958 CZ ARG A 63 -8.208 9.919 -2.175 1.00 0.00 C ATOM 959 NH1 ARG A 63 -9.455 9.640 -2.546 1.00 0.00 N1+ ATOM 960 NH2 ARG A 63 -7.933 10.129 -0.901 1.00 0.00 N ATOM 0 H ARG A 63 -3.550 9.877 -3.970 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.927 10.310 -6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.386 11.337 -4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.953 11.535 -5.953 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.212 9.147 -6.229 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.420 8.829 -4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.997 10.414 -4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.931 8.706 -4.607 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.305 10.273 -2.772 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.669 9.470 -3.529 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.197 9.596 -1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.977 10.336 -0.613 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.677 10.085 -0.205 1.00 0.00 H new ATOM 974 N SER A 64 -2.780 12.758 -4.952 1.00 0.00 N ATOM 975 CA SER A 64 -2.312 14.123 -4.984 1.00 0.00 C ATOM 976 C SER A 64 -0.957 14.144 -5.662 1.00 0.00 C ATOM 977 O SER A 64 -0.502 15.168 -6.173 1.00 0.00 O ATOM 978 CB SER A 64 -2.265 14.710 -3.575 1.00 0.00 C ATOM 979 OG SER A 64 -1.910 16.082 -3.585 1.00 0.00 O ATOM 0 H SER A 64 -2.583 12.259 -4.085 1.00 0.00 H new ATOM 0 HA SER A 64 -2.999 14.749 -5.553 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.238 14.590 -3.099 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.546 14.153 -2.974 1.00 0.00 H new ATOM 0 HG SER A 64 -1.385 16.290 -2.784 1.00 0.00 H new ATOM 985 N THR A 65 -0.343 12.997 -5.661 1.00 0.00 N ATOM 986 CA THR A 65 0.854 12.727 -6.377 1.00 0.00 C ATOM 987 C THR A 65 0.575 12.835 -7.912 1.00 0.00 C ATOM 988 O THR A 65 1.283 13.553 -8.643 1.00 0.00 O ATOM 989 CB THR A 65 1.326 11.320 -5.943 1.00 0.00 C ATOM 990 OG1 THR A 65 1.931 11.358 -4.638 1.00 0.00 O ATOM 991 CG2 THR A 65 2.208 10.655 -6.938 1.00 0.00 C ATOM 0 H THR A 65 -0.685 12.193 -5.135 1.00 0.00 H new ATOM 0 HA THR A 65 1.644 13.446 -6.160 1.00 0.00 H new ATOM 0 HB THR A 65 0.430 10.702 -5.889 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.779 10.867 -4.656 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.500 9.673 -6.566 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.673 10.542 -7.881 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.099 11.262 -7.097 1.00 0.00 H new ATOM 999 N ILE A 66 -0.512 12.187 -8.359 1.00 0.00 N ATOM 1000 CA ILE A 66 -0.943 12.241 -9.765 1.00 0.00 C ATOM 1001 C ILE A 66 -1.290 13.685 -10.099 1.00 0.00 C ATOM 1002 O ILE A 66 -0.933 14.214 -11.154 1.00 0.00 O ATOM 1003 CB ILE A 66 -2.228 11.402 -9.981 1.00 0.00 C ATOM 1004 CG1 ILE A 66 -2.065 10.000 -9.405 1.00 0.00 C ATOM 1005 CG2 ILE A 66 -2.563 11.323 -11.475 1.00 0.00 C ATOM 1006 CD1 ILE A 66 -3.354 9.218 -9.371 1.00 0.00 C ATOM 0 H ILE A 66 -1.112 11.616 -7.763 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.140 11.852 -10.392 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.048 11.893 -9.458 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.332 9.454 -9.998 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.666 10.074 -8.393 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.468 10.731 -11.614 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.723 12.328 -11.866 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.737 10.854 -12.009 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.169 8.230 -8.950 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.083 9.744 -8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.743 9.114 -10.384 1.00 0.00 H new ATOM 1018 N LEU A 67 -1.979 14.315 -9.154 1.00 0.00 N ATOM 1019 CA LEU A 67 -2.388 15.694 -9.259 1.00 0.00 C ATOM 1020 C LEU A 67 -1.186 16.595 -9.519 1.00 0.00 C ATOM 1021 O LEU A 67 -1.247 17.463 -10.366 1.00 0.00 O ATOM 1022 CB LEU A 67 -3.113 16.125 -7.979 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.701 17.531 -7.972 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -4.712 17.672 -9.086 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -4.345 17.834 -6.628 1.00 0.00 C ATOM 0 H LEU A 67 -2.269 13.868 -8.284 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.073 15.790 -10.102 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.919 15.417 -7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.414 16.043 -7.147 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.896 18.248 -8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.128 18.679 -9.075 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.225 17.491 -10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.513 16.947 -8.944 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.759 18.842 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.143 17.116 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.595 17.761 -5.840 1.00 0.00 H new ATOM 1037 N ALA A 68 -0.098 16.350 -8.796 1.00 0.00 N ATOM 1038 CA ALA A 68 1.140 17.110 -8.939 1.00 0.00 C ATOM 1039 C ALA A 68 1.675 17.017 -10.341 1.00 0.00 C ATOM 1040 O ALA A 68 2.064 18.036 -10.922 1.00 0.00 O ATOM 1041 CB ALA A 68 2.178 16.623 -7.956 1.00 0.00 C ATOM 0 H ALA A 68 -0.050 15.615 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 68 0.915 18.155 -8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.094 17.201 -8.078 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.803 16.746 -6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.387 15.569 -8.140 1.00 0.00 H new ATOM 1047 N VAL A 69 1.666 15.811 -10.895 1.00 0.00 N ATOM 1048 CA VAL A 69 2.136 15.599 -12.262 1.00 0.00 C ATOM 1049 C VAL A 69 1.308 16.463 -13.224 1.00 0.00 C ATOM 1050 O VAL A 69 1.840 17.306 -13.939 1.00 0.00 O ATOM 1051 CB VAL A 69 2.029 14.110 -12.701 1.00 0.00 C ATOM 1052 CG1 VAL A 69 2.689 13.898 -14.059 1.00 0.00 C ATOM 1053 CG2 VAL A 69 2.633 13.180 -11.661 1.00 0.00 C ATOM 0 H VAL A 69 1.340 14.967 -10.423 1.00 0.00 H new ATOM 0 HA VAL A 69 3.188 15.881 -12.293 1.00 0.00 H new ATOM 0 HB VAL A 69 0.970 13.867 -12.790 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.602 12.850 -14.346 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.195 14.521 -14.805 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.742 14.172 -13.998 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.542 12.148 -11.999 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.686 13.424 -11.522 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.105 13.300 -10.715 1.00 0.00 H new ATOM 1063 N ASP A 70 0.001 16.315 -13.150 1.00 0.00 N ATOM 1064 CA ASP A 70 -0.918 17.035 -14.037 1.00 0.00 C ATOM 1065 C ASP A 70 -1.063 18.526 -13.688 1.00 0.00 C ATOM 1066 O ASP A 70 -1.724 19.275 -14.410 1.00 0.00 O ATOM 1067 CB ASP A 70 -2.309 16.397 -14.040 1.00 0.00 C ATOM 1068 CG ASP A 70 -2.382 15.016 -14.660 1.00 0.00 C ATOM 1069 OD1 ASP A 70 -2.442 14.890 -15.899 1.00 0.00 O1- ATOM 1070 OD2 ASP A 70 -2.466 14.028 -13.926 1.00 0.00 O ATOM 0 H ASP A 70 -0.461 15.699 -12.481 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.469 16.962 -15.027 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.666 16.336 -13.012 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.992 17.055 -14.576 1.00 0.00 H new ATOM 1075 N ASN A 71 -0.495 18.947 -12.584 1.00 0.00 N ATOM 1076 CA ASN A 71 -0.601 20.349 -12.148 1.00 0.00 C ATOM 1077 C ASN A 71 0.646 21.111 -12.502 1.00 0.00 C ATOM 1078 O ASN A 71 0.585 22.270 -12.930 1.00 0.00 O ATOM 1079 CB ASN A 71 -0.847 20.430 -10.612 1.00 0.00 C ATOM 1080 CG ASN A 71 -0.834 21.852 -10.012 1.00 0.00 C ATOM 1081 OD1 ASN A 71 0.214 22.359 -9.595 1.00 0.00 O ATOM 1082 ND2 ASN A 71 -1.978 22.483 -9.923 1.00 0.00 N ATOM 0 H ASN A 71 0.049 18.351 -11.960 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.449 20.798 -12.666 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.810 19.970 -10.391 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.086 19.835 -10.108 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.017 23.412 -9.503 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.830 22.046 -10.274 1.00 0.00 H new ATOM 1089 N LEU A 72 1.768 20.466 -12.360 1.00 0.00 N ATOM 1090 CA LEU A 72 3.019 21.144 -12.500 1.00 0.00 C ATOM 1091 C LEU A 72 3.852 20.745 -13.674 1.00 0.00 C ATOM 1092 O LEU A 72 4.750 21.485 -14.027 1.00 0.00 O ATOM 1093 CB LEU A 72 3.809 21.044 -11.217 1.00 0.00 C ATOM 1094 CG LEU A 72 3.306 21.925 -10.104 1.00 0.00 C ATOM 1095 CD1 LEU A 72 3.972 21.576 -8.809 1.00 0.00 C ATOM 1096 CD2 LEU A 72 3.580 23.364 -10.451 1.00 0.00 C ATOM 0 H LEU A 72 1.840 19.471 -12.147 1.00 0.00 H new ATOM 0 HA LEU A 72 2.755 22.181 -12.708 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.797 20.008 -10.877 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.848 21.299 -11.424 1.00 0.00 H new ATOM 0 HG LEU A 72 2.233 21.771 -9.987 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.594 22.225 -8.019 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.759 20.537 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.049 21.712 -8.906 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.218 24.007 -9.649 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.653 23.510 -10.577 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.068 23.618 -11.379 1.00 0.00 H new ATOM 1108 N ASN A 73 3.604 19.604 -14.273 1.00 0.00 N ATOM 1109 CA ASN A 73 4.451 19.190 -15.402 1.00 0.00 C ATOM 1110 C ASN A 73 4.339 20.178 -16.548 1.00 0.00 C ATOM 1111 O ASN A 73 3.300 20.286 -17.181 1.00 0.00 O ATOM 1112 CB ASN A 73 4.131 17.778 -15.889 1.00 0.00 C ATOM 1113 CG ASN A 73 5.104 17.306 -16.954 1.00 0.00 C ATOM 1114 OD1 ASN A 73 6.137 16.720 -16.636 1.00 0.00 O ATOM 1115 ND2 ASN A 73 4.790 17.556 -18.206 1.00 0.00 N ATOM 0 H ASN A 73 2.856 18.957 -14.022 1.00 0.00 H new ATOM 0 HA ASN A 73 5.478 19.180 -15.036 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.157 17.089 -15.044 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.117 17.754 -16.289 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.414 17.261 -18.957 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.922 18.045 -18.426 1.00 0.00 H new ATOM 1122 N GLY A 74 5.402 20.906 -16.787 1.00 0.00 N ATOM 1123 CA GLY A 74 5.388 21.894 -17.828 1.00 0.00 C ATOM 1124 C GLY A 74 5.361 23.309 -17.282 1.00 0.00 C ATOM 1125 O GLY A 74 5.358 24.273 -18.047 1.00 0.00 O ATOM 0 H GLY A 74 6.282 20.831 -16.276 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.269 21.767 -18.457 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.517 21.736 -18.463 1.00 0.00 H new ATOM 1129 N PHE A 75 5.349 23.439 -15.961 1.00 0.00 N ATOM 1130 CA PHE A 75 5.333 24.747 -15.318 1.00 0.00 C ATOM 1131 C PHE A 75 6.679 25.444 -15.547 1.00 0.00 C ATOM 1132 O PHE A 75 7.746 24.862 -15.311 1.00 0.00 O ATOM 1133 CB PHE A 75 5.020 24.608 -13.820 1.00 0.00 C ATOM 1134 CG PHE A 75 4.717 25.902 -13.111 1.00 0.00 C ATOM 1135 CD1 PHE A 75 3.475 26.498 -13.240 1.00 0.00 C ATOM 1136 CD2 PHE A 75 5.659 26.507 -12.305 1.00 0.00 C ATOM 1137 CE1 PHE A 75 3.182 27.673 -12.580 1.00 0.00 C ATOM 1138 CE2 PHE A 75 5.374 27.687 -11.644 1.00 0.00 C ATOM 1139 CZ PHE A 75 4.132 28.269 -11.783 1.00 0.00 C ATOM 0 H PHE A 75 5.350 22.652 -15.312 1.00 0.00 H new ATOM 0 HA PHE A 75 4.546 25.359 -15.759 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.168 23.939 -13.703 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.869 24.132 -13.329 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.725 26.037 -13.866 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.632 26.053 -12.189 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.207 28.125 -12.689 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.123 28.152 -11.020 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.905 29.191 -11.268 1.00 0.00 H new ATOM 1149 N LYS A 76 6.608 26.671 -16.010 1.00 0.00 N ATOM 1150 CA LYS A 76 7.771 27.435 -16.417 1.00 0.00 C ATOM 1151 C LYS A 76 8.416 28.173 -15.234 1.00 0.00 C ATOM 1152 O LYS A 76 7.790 29.040 -14.619 1.00 0.00 O ATOM 1153 CB LYS A 76 7.340 28.434 -17.519 1.00 0.00 C ATOM 1154 CG LYS A 76 8.463 29.261 -18.156 1.00 0.00 C ATOM 1155 CD LYS A 76 9.508 28.392 -18.862 1.00 0.00 C ATOM 1156 CE LYS A 76 8.927 27.545 -20.002 1.00 0.00 C ATOM 1157 NZ LYS A 76 8.384 28.356 -21.116 1.00 0.00 N1+ ATOM 0 H LYS A 76 5.728 27.176 -16.117 1.00 0.00 H new ATOM 0 HA LYS A 76 8.526 26.751 -16.805 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.834 27.877 -18.308 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.608 29.120 -17.093 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.032 29.960 -18.873 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.952 29.857 -17.385 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.294 29.034 -19.260 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.975 27.732 -18.131 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.704 26.885 -20.387 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.136 26.909 -19.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.007 27.726 -21.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.622 28.968 -20.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.141 28.945 -21.518 1.00 0.00 H new ATOM 1171 N ILE A 77 9.649 27.801 -14.920 1.00 0.00 N ATOM 1172 CA ILE A 77 10.448 28.449 -13.889 1.00 0.00 C ATOM 1173 C ILE A 77 11.878 28.554 -14.391 1.00 0.00 C ATOM 1174 O ILE A 77 12.458 27.558 -14.805 1.00 0.00 O ATOM 1175 CB ILE A 77 10.486 27.664 -12.541 1.00 0.00 C ATOM 1176 CG1 ILE A 77 9.077 27.428 -12.008 1.00 0.00 C ATOM 1177 CG2 ILE A 77 11.336 28.437 -11.497 1.00 0.00 C ATOM 1178 CD1 ILE A 77 9.026 26.542 -10.789 1.00 0.00 C ATOM 0 H ILE A 77 10.130 27.029 -15.381 1.00 0.00 H new ATOM 0 HA ILE A 77 9.988 29.418 -13.697 1.00 0.00 H new ATOM 0 HB ILE A 77 10.946 26.693 -12.723 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.625 28.390 -11.765 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.471 26.981 -12.796 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.356 27.880 -10.560 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.353 28.554 -11.871 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.897 29.420 -11.326 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.991 26.422 -10.470 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.447 25.566 -11.031 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.603 26.997 -9.984 1.00 0.00 H new ATOM 1190 N GLY A 78 12.393 29.764 -14.448 1.00 0.00 N ATOM 1191 CA GLY A 78 13.781 29.987 -14.782 1.00 0.00 C ATOM 1192 C GLY A 78 14.067 29.685 -16.218 1.00 0.00 C ATOM 1193 O GLY A 78 15.186 29.309 -16.576 1.00 0.00 O ATOM 0 H GLY A 78 11.863 30.616 -14.265 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.043 31.024 -14.570 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.411 29.363 -14.148 1.00 0.00 H new ATOM 1197 N GLY A 79 13.052 29.822 -17.040 1.00 0.00 N ATOM 1198 CA GLY A 79 13.186 29.546 -18.449 1.00 0.00 C ATOM 1199 C GLY A 79 13.032 28.071 -18.772 1.00 0.00 C ATOM 1200 O GLY A 79 12.997 27.686 -19.943 1.00 0.00 O ATOM 0 H GLY A 79 12.121 30.124 -16.754 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.437 30.115 -19.000 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.162 29.889 -18.791 1.00 0.00 H new ATOM 1204 N ARG A 80 12.919 27.250 -17.755 1.00 0.00 N ATOM 1205 CA ARG A 80 12.784 25.829 -17.944 1.00 0.00 C ATOM 1206 C ARG A 80 11.397 25.443 -17.527 1.00 0.00 C ATOM 1207 O ARG A 80 10.770 26.149 -16.755 1.00 0.00 O ATOM 1208 CB ARG A 80 13.757 25.062 -17.047 1.00 0.00 C ATOM 1209 CG ARG A 80 15.179 25.566 -17.054 1.00 0.00 C ATOM 1210 CD ARG A 80 16.058 24.695 -16.178 1.00 0.00 C ATOM 1211 NE ARG A 80 16.405 23.412 -16.819 1.00 0.00 N ATOM 1212 CZ ARG A 80 17.651 22.914 -16.955 1.00 0.00 C ATOM 1213 NH1 ARG A 80 18.715 23.623 -16.586 1.00 0.00 N1+ ATOM 1214 NH2 ARG A 80 17.822 21.711 -17.494 1.00 0.00 N ATOM 0 H ARG A 80 12.918 27.548 -16.779 1.00 0.00 H new ATOM 0 HA ARG A 80 12.989 25.590 -18.988 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.383 25.094 -16.024 1.00 0.00 H new ATOM 0 HB3 ARG A 80 13.759 24.016 -17.353 1.00 0.00 H new ATOM 0 HG2 ARG A 80 15.564 25.571 -18.074 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.207 26.596 -16.698 1.00 0.00 H new ATOM 0 HD2 ARG A 80 16.973 25.236 -15.937 1.00 0.00 H new ATOM 0 HD3 ARG A 80 15.546 24.499 -15.236 1.00 0.00 H new ATOM 0 HE ARG A 80 15.637 22.854 -17.191 1.00 0.00 H new ATOM 0 HH11 ARG A 80 18.595 24.557 -16.194 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.651 23.232 -16.695 1.00 0.00 H new ATOM 0 HH21 ARG A 80 17.014 21.170 -17.802 1.00 0.00 H new ATOM 0 HH22 ARG A 80 18.762 21.328 -17.600 1.00 0.00 H new ATOM 1228 N ALA A 81 10.902 24.380 -18.041 1.00 0.00 N ATOM 1229 CA ALA A 81 9.661 23.862 -17.565 1.00 0.00 C ATOM 1230 C ALA A 81 9.969 22.621 -16.797 1.00 0.00 C ATOM 1231 O ALA A 81 10.623 21.722 -17.325 1.00 0.00 O ATOM 1232 CB ALA A 81 8.708 23.572 -18.689 1.00 0.00 C ATOM 0 H ALA A 81 11.333 23.845 -18.794 1.00 0.00 H new ATOM 0 HA ALA A 81 9.168 24.600 -16.932 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.776 23.179 -18.283 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.506 24.490 -19.240 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.150 22.836 -19.360 1.00 0.00 H new ATOM 1238 N LEU A 82 9.572 22.578 -15.567 1.00 0.00 N ATOM 1239 CA LEU A 82 9.893 21.450 -14.746 1.00 0.00 C ATOM 1240 C LEU A 82 9.096 20.202 -15.097 1.00 0.00 C ATOM 1241 O LEU A 82 7.900 20.260 -15.452 1.00 0.00 O ATOM 1242 CB LEU A 82 9.931 21.797 -13.242 1.00 0.00 C ATOM 1243 CG LEU A 82 8.760 22.595 -12.649 1.00 0.00 C ATOM 1244 CD1 LEU A 82 7.491 21.793 -12.633 1.00 0.00 C ATOM 1245 CD2 LEU A 82 9.099 23.050 -11.250 1.00 0.00 C ATOM 0 H LEU A 82 9.026 23.307 -15.107 1.00 0.00 H new ATOM 0 HA LEU A 82 10.920 21.177 -14.987 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.011 20.862 -12.687 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.846 22.359 -13.053 1.00 0.00 H new ATOM 0 HG LEU A 82 8.596 23.464 -13.286 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.687 22.393 -12.206 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.229 21.506 -13.651 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.635 20.897 -12.030 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.263 23.615 -10.838 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.294 22.181 -10.622 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.986 23.683 -11.278 1.00 0.00 H new ATOM 1257 N LYS A 83 9.780 19.107 -15.026 1.00 0.00 N ATOM 1258 CA LYS A 83 9.278 17.815 -15.393 1.00 0.00 C ATOM 1259 C LYS A 83 8.968 16.996 -14.154 1.00 0.00 C ATOM 1260 O LYS A 83 9.801 16.892 -13.257 1.00 0.00 O ATOM 1261 CB LYS A 83 10.354 17.119 -16.270 1.00 0.00 C ATOM 1262 CG LYS A 83 10.226 15.605 -16.436 1.00 0.00 C ATOM 1263 CD LYS A 83 8.906 15.180 -17.041 1.00 0.00 C ATOM 1264 CE LYS A 83 8.837 13.677 -17.134 1.00 0.00 C ATOM 1265 NZ LYS A 83 7.467 13.185 -17.370 1.00 0.00 N1+ ATOM 0 H LYS A 83 10.745 19.083 -14.697 1.00 0.00 H new ATOM 0 HA LYS A 83 8.349 17.911 -15.955 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.333 17.573 -17.260 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.333 17.333 -15.842 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.039 15.245 -17.066 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.342 15.128 -15.463 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.082 15.552 -16.433 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.794 15.619 -18.032 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.485 13.337 -17.941 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.221 13.242 -16.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.445 12.151 -17.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.818 13.622 -16.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.170 13.435 -18.335 1.00 0.00 H new ATOM 1279 N ILE A 84 7.773 16.440 -14.104 1.00 0.00 N ATOM 1280 CA ILE A 84 7.393 15.539 -13.037 1.00 0.00 C ATOM 1281 C ILE A 84 7.093 14.187 -13.664 1.00 0.00 C ATOM 1282 O ILE A 84 6.525 14.120 -14.757 1.00 0.00 O ATOM 1283 CB ILE A 84 6.139 15.999 -12.180 1.00 0.00 C ATOM 1284 CG1 ILE A 84 6.350 17.343 -11.480 1.00 0.00 C ATOM 1285 CG2 ILE A 84 5.794 14.969 -11.128 1.00 0.00 C ATOM 1286 CD1 ILE A 84 6.142 18.530 -12.353 1.00 0.00 C ATOM 0 H ILE A 84 7.043 16.600 -14.798 1.00 0.00 H new ATOM 0 HA ILE A 84 8.227 15.512 -12.336 1.00 0.00 H new ATOM 0 HB ILE A 84 5.323 16.107 -12.895 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.669 17.408 -10.631 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.363 17.375 -11.079 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.931 15.309 -10.555 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.558 14.021 -11.611 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.644 14.834 -10.459 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.312 19.440 -11.777 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.841 18.494 -13.189 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.121 18.527 -12.734 1.00 0.00 H new ATOM 1298 N ASP A 85 7.522 13.138 -13.028 1.00 0.00 N ATOM 1299 CA ASP A 85 7.257 11.794 -13.496 1.00 0.00 C ATOM 1300 C ASP A 85 7.080 10.944 -12.270 1.00 0.00 C ATOM 1301 O ASP A 85 7.437 11.380 -11.184 1.00 0.00 O ATOM 1302 CB ASP A 85 8.455 11.267 -14.291 1.00 0.00 C ATOM 1303 CG ASP A 85 8.069 10.228 -15.321 1.00 0.00 C ATOM 1304 OD1 ASP A 85 7.753 9.085 -14.965 1.00 0.00 O1- ATOM 1305 OD2 ASP A 85 8.057 10.560 -16.527 1.00 0.00 O ATOM 0 H ASP A 85 8.068 13.181 -12.167 1.00 0.00 H new ATOM 0 HA ASP A 85 6.377 11.775 -14.140 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.948 12.101 -14.791 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.180 10.835 -13.601 1.00 0.00 H new ATOM 1310 N HIS A 86 6.552 9.780 -12.410 1.00 0.00 N ATOM 1311 CA HIS A 86 6.411 8.885 -11.286 1.00 0.00 C ATOM 1312 C HIS A 86 7.699 8.126 -11.072 1.00 0.00 C ATOM 1313 O HIS A 86 8.394 7.789 -12.040 1.00 0.00 O ATOM 1314 CB HIS A 86 5.236 7.937 -11.472 1.00 0.00 C ATOM 1315 CG HIS A 86 3.904 8.568 -11.203 1.00 0.00 C ATOM 1316 ND1 HIS A 86 3.185 8.338 -10.060 1.00 0.00 N ATOM 1317 CD2 HIS A 86 3.149 9.399 -11.954 1.00 0.00 C ATOM 1318 CE1 HIS A 86 2.040 9.004 -10.143 1.00 0.00 C ATOM 1319 NE2 HIS A 86 1.962 9.670 -11.274 1.00 0.00 N ATOM 0 H HIS A 86 6.204 9.411 -13.295 1.00 0.00 H new ATOM 0 HA HIS A 86 6.202 9.478 -10.396 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.247 7.555 -12.493 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.363 7.081 -10.809 1.00 0.00 H new ATOM 0 HD1 HIS A 86 3.480 7.754 -9.278 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.420 9.790 -12.923 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.274 8.999 -9.382 1.00 0.00 H new ATOM 1327 N THR A 87 8.079 7.929 -9.835 1.00 0.00 N ATOM 1328 CA THR A 87 9.301 7.244 -9.565 1.00 0.00 C ATOM 1329 C THR A 87 9.226 6.524 -8.215 1.00 0.00 C ATOM 1330 O THR A 87 8.369 6.826 -7.375 1.00 0.00 O ATOM 1331 CB THR A 87 10.513 8.233 -9.604 1.00 0.00 C ATOM 1332 OG1 THR A 87 11.748 7.519 -9.800 1.00 0.00 O ATOM 1333 CG2 THR A 87 10.608 9.055 -8.322 1.00 0.00 C ATOM 0 H THR A 87 7.560 8.233 -9.011 1.00 0.00 H new ATOM 0 HA THR A 87 9.454 6.496 -10.343 1.00 0.00 H new ATOM 0 HB THR A 87 10.346 8.910 -10.442 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.493 8.155 -9.823 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.461 9.730 -8.385 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.694 9.635 -8.193 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.736 8.387 -7.470 1.00 0.00 H new ATOM 1341 N PHE A 88 10.089 5.572 -8.019 1.00 0.00 N ATOM 1342 CA PHE A 88 10.209 4.920 -6.761 1.00 0.00 C ATOM 1343 C PHE A 88 11.684 4.668 -6.533 1.00 0.00 C ATOM 1344 O PHE A 88 12.345 4.028 -7.359 1.00 0.00 O ATOM 1345 CB PHE A 88 9.401 3.618 -6.716 1.00 0.00 C ATOM 1346 CG PHE A 88 9.201 3.109 -5.319 1.00 0.00 C ATOM 1347 CD1 PHE A 88 8.286 3.731 -4.477 1.00 0.00 C ATOM 1348 CD2 PHE A 88 9.921 2.024 -4.839 1.00 0.00 C ATOM 1349 CE1 PHE A 88 8.093 3.286 -3.191 1.00 0.00 C ATOM 1350 CE2 PHE A 88 9.728 1.573 -3.545 1.00 0.00 C ATOM 1351 CZ PHE A 88 8.812 2.209 -2.722 1.00 0.00 C ATOM 0 H PHE A 88 10.730 5.228 -8.734 1.00 0.00 H new ATOM 0 HA PHE A 88 9.801 5.547 -5.968 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.429 3.782 -7.181 1.00 0.00 H new ATOM 0 HB3 PHE A 88 9.912 2.857 -7.306 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.719 4.576 -4.839 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.636 1.529 -5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.379 3.780 -2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.290 0.727 -3.177 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.662 1.859 -1.711 1.00 0.00 H new ATOM 1361 N TYR A 89 12.203 5.198 -5.458 1.00 0.00 N ATOM 1362 CA TYR A 89 13.616 5.117 -5.172 1.00 0.00 C ATOM 1363 C TYR A 89 13.775 4.649 -3.741 1.00 0.00 C ATOM 1364 O TYR A 89 12.810 4.706 -2.953 1.00 0.00 O ATOM 1365 CB TYR A 89 14.291 6.512 -5.342 1.00 0.00 C ATOM 1366 CG TYR A 89 14.089 7.461 -4.159 1.00 0.00 C ATOM 1367 CD1 TYR A 89 12.844 8.000 -3.859 1.00 0.00 C ATOM 1368 CD2 TYR A 89 15.153 7.770 -3.314 1.00 0.00 C ATOM 1369 CE1 TYR A 89 12.673 8.818 -2.761 1.00 0.00 C ATOM 1370 CE2 TYR A 89 14.982 8.578 -2.211 1.00 0.00 C ATOM 1371 CZ TYR A 89 13.743 9.098 -1.939 1.00 0.00 C ATOM 1372 OH TYR A 89 13.567 9.888 -0.830 1.00 0.00 O ATOM 0 H TYR A 89 11.661 5.699 -4.754 1.00 0.00 H new ATOM 0 HA TYR A 89 14.093 4.422 -5.863 1.00 0.00 H new ATOM 0 HB2 TYR A 89 15.360 6.368 -5.498 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.898 6.985 -6.242 1.00 0.00 H new ATOM 0 HD1 TYR A 89 11.999 7.776 -4.493 1.00 0.00 H new ATOM 0 HD2 TYR A 89 16.132 7.368 -3.528 1.00 0.00 H new ATOM 0 HE1 TYR A 89 11.702 9.238 -2.546 1.00 0.00 H new ATOM 0 HE2 TYR A 89 15.819 8.800 -1.565 1.00 0.00 H new ATOM 0 HH TYR A 89 13.954 9.443 -0.047 1.00 0.00 H new ATOM 1382 N ARG A 90 14.931 4.159 -3.411 1.00 0.00 N ATOM 1383 CA ARG A 90 15.225 3.800 -2.056 1.00 0.00 C ATOM 1384 C ARG A 90 16.187 4.836 -1.495 1.00 0.00 C ATOM 1385 O ARG A 90 17.230 5.107 -2.110 1.00 0.00 O ATOM 1386 CB ARG A 90 15.835 2.403 -1.962 1.00 0.00 C ATOM 1387 CG ARG A 90 14.979 1.306 -2.577 1.00 0.00 C ATOM 1388 CD ARG A 90 13.554 1.281 -2.020 1.00 0.00 C ATOM 1389 NE ARG A 90 13.506 1.065 -0.573 1.00 0.00 N ATOM 1390 CZ ARG A 90 12.391 0.855 0.140 1.00 0.00 C ATOM 1391 NH1 ARG A 90 11.198 0.833 -0.461 1.00 0.00 N1+ ATOM 1392 NH2 ARG A 90 12.471 0.665 1.444 1.00 0.00 N ATOM 0 H ARG A 90 15.694 3.997 -4.069 1.00 0.00 H new ATOM 0 HA ARG A 90 14.300 3.781 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 90 16.807 2.409 -2.455 1.00 0.00 H new ATOM 0 HB3 ARG A 90 16.011 2.166 -0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.939 1.446 -3.657 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.451 0.340 -2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.061 2.224 -2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.990 0.492 -2.518 1.00 0.00 H new ATOM 0 HE ARG A 90 14.392 1.075 -0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.132 0.977 -1.469 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.353 0.673 0.088 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.380 0.678 1.906 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.624 0.505 1.989 1.00 0.00 H new ATOM 1406 N PRO A 91 15.822 5.479 -0.380 1.00 0.00 N ATOM 1407 CA PRO A 91 16.658 6.499 0.263 1.00 0.00 C ATOM 1408 C PRO A 91 18.011 5.960 0.731 1.00 0.00 C ATOM 1409 O PRO A 91 18.215 4.738 0.870 1.00 0.00 O ATOM 1410 CB PRO A 91 15.835 6.944 1.481 1.00 0.00 C ATOM 1411 CG PRO A 91 14.452 6.480 1.226 1.00 0.00 C ATOM 1412 CD PRO A 91 14.555 5.276 0.337 1.00 0.00 C ATOM 0 HA PRO A 91 16.892 7.301 -0.437 1.00 0.00 H new ATOM 0 HB2 PRO A 91 16.230 6.510 2.399 1.00 0.00 H new ATOM 0 HB3 PRO A 91 15.868 8.027 1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.950 6.229 2.160 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.863 7.263 0.749 1.00 0.00 H new ATOM 0 HD2 PRO A 91 14.566 4.352 0.915 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.712 5.213 -0.351 1.00 0.00 H new ATOM 1420 N LYS A 92 18.938 6.859 0.959 1.00 0.00 N ATOM 1421 CA LYS A 92 20.228 6.477 1.454 1.00 0.00 C ATOM 1422 C LYS A 92 20.167 6.411 2.962 1.00 0.00 C ATOM 1423 O LYS A 92 19.569 7.281 3.604 1.00 0.00 O ATOM 1424 CB LYS A 92 21.303 7.488 1.064 1.00 0.00 C ATOM 1425 CG LYS A 92 21.404 7.801 -0.411 1.00 0.00 C ATOM 1426 CD LYS A 92 22.672 8.577 -0.674 1.00 0.00 C ATOM 1427 CE LYS A 92 22.735 9.137 -2.068 1.00 0.00 C ATOM 1428 NZ LYS A 92 24.052 9.761 -2.351 1.00 0.00 N1+ ATOM 0 H LYS A 92 18.818 7.861 0.808 1.00 0.00 H new ATOM 0 HA LYS A 92 20.486 5.511 1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 92 21.114 8.417 1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 92 22.268 7.114 1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 92 21.403 6.878 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 92 20.538 8.380 -0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 92 22.748 9.393 0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 92 23.531 7.927 -0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 92 22.547 8.341 -2.789 1.00 0.00 H new ATOM 0 HE3 LYS A 92 21.946 9.878 -2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 23.932 10.524 -3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 24.446 10.153 -1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 24.702 9.043 -2.732 1.00 0.00 H new ATOM 1442 N ARG A 93 20.791 5.420 3.533 1.00 0.00 N ATOM 1443 CA ARG A 93 20.811 5.276 4.974 1.00 0.00 C ATOM 1444 C ARG A 93 21.823 6.246 5.573 1.00 0.00 C ATOM 1445 O ARG A 93 21.684 6.692 6.699 1.00 0.00 O ATOM 1446 CB ARG A 93 21.087 3.789 5.383 1.00 0.00 C ATOM 1447 CG ARG A 93 22.464 3.217 4.982 1.00 0.00 C ATOM 1448 CD ARG A 93 23.568 3.623 5.958 1.00 0.00 C ATOM 1449 NE ARG A 93 24.908 3.287 5.473 1.00 0.00 N ATOM 1450 CZ ARG A 93 25.967 3.020 6.252 1.00 0.00 C ATOM 1451 NH1 ARG A 93 25.803 2.781 7.551 1.00 0.00 N1+ ATOM 1452 NH2 ARG A 93 27.182 2.938 5.714 1.00 0.00 N ATOM 0 H ARG A 93 21.297 4.693 3.026 1.00 0.00 H new ATOM 0 HA ARG A 93 19.831 5.529 5.378 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.983 3.706 6.465 1.00 0.00 H new ATOM 0 HB3 ARG A 93 20.313 3.162 4.940 1.00 0.00 H new ATOM 0 HG2 ARG A 93 22.404 2.130 4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 93 22.721 3.564 3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 93 23.511 4.697 6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 93 23.399 3.130 6.915 1.00 0.00 H new ATOM 0 HE ARG A 93 25.047 3.253 4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 93 24.868 2.800 7.959 1.00 0.00 H new ATOM 0 HH12 ARG A 93 26.612 2.579 8.138 1.00 0.00 H new ATOM 0 HH21 ARG A 93 27.306 3.078 4.711 1.00 0.00 H new ATOM 0 HH22 ARG A 93 27.989 2.735 6.304 1.00 0.00 H new ATOM 1466 N SER A 94 22.830 6.576 4.786 1.00 0.00 N ATOM 1467 CA SER A 94 23.882 7.462 5.204 1.00 0.00 C ATOM 1468 C SER A 94 23.366 8.888 5.342 1.00 0.00 C ATOM 1469 O SER A 94 23.616 9.555 6.344 1.00 0.00 O ATOM 1470 CB SER A 94 25.020 7.397 4.194 1.00 0.00 C ATOM 1471 OG SER A 94 25.443 6.049 4.012 1.00 0.00 O ATOM 0 H SER A 94 22.935 6.230 3.832 1.00 0.00 H new ATOM 0 HA SER A 94 24.248 7.148 6.181 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.694 7.815 3.241 1.00 0.00 H new ATOM 0 HB3 SER A 94 25.857 8.004 4.539 1.00 0.00 H new ATOM 0 HG SER A 94 26.174 6.021 3.359 1.00 0.00 H new ATOM 1477 N LEU A 95 22.573 9.328 4.381 1.00 0.00 N ATOM 1478 CA LEU A 95 22.084 10.695 4.383 1.00 0.00 C ATOM 1479 C LEU A 95 20.790 10.830 5.173 1.00 0.00 C ATOM 1480 O LEU A 95 20.083 11.822 5.020 1.00 0.00 O ATOM 1481 CB LEU A 95 21.884 11.216 2.953 1.00 0.00 C ATOM 1482 CG LEU A 95 23.110 11.195 2.035 1.00 0.00 C ATOM 1483 CD1 LEU A 95 22.795 11.888 0.720 1.00 0.00 C ATOM 1484 CD2 LEU A 95 24.312 11.840 2.702 1.00 0.00 C ATOM 0 H LEU A 95 22.256 8.762 3.594 1.00 0.00 H new ATOM 0 HA LEU A 95 22.845 11.302 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.097 10.626 2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 95 21.521 12.242 3.012 1.00 0.00 H new ATOM 0 HG LEU A 95 23.362 10.154 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 95 23.675 11.866 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 95 21.971 11.373 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 95 22.512 12.923 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 95 25.165 11.809 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 95 24.080 12.877 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 95 24.555 11.298 3.616 1.00 0.00 H new ATOM 1496 N GLN A 96 20.529 9.860 6.059 1.00 0.00 N ATOM 1497 CA GLN A 96 19.316 9.803 6.893 1.00 0.00 C ATOM 1498 C GLN A 96 18.984 11.141 7.564 1.00 0.00 C ATOM 1499 O GLN A 96 17.827 11.546 7.609 1.00 0.00 O ATOM 1500 CB GLN A 96 19.446 8.720 7.966 1.00 0.00 C ATOM 1501 CG GLN A 96 20.681 8.860 8.853 1.00 0.00 C ATOM 1502 CD GLN A 96 20.656 7.967 10.074 1.00 0.00 C ATOM 1503 OE1 GLN A 96 19.495 7.776 10.648 1.00 0.00 O flip ATOM 1504 NE2 GLN A 96 21.702 7.509 10.534 1.00 0.00 N flip ATOM 0 H GLN A 96 21.164 9.078 6.221 1.00 0.00 H new ATOM 0 HA GLN A 96 18.497 9.562 6.215 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.557 8.740 8.596 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.471 7.745 7.480 1.00 0.00 H new ATOM 0 HG2 GLN A 96 21.569 8.630 8.264 1.00 0.00 H new ATOM 0 HG3 GLN A 96 20.771 9.898 9.174 1.00 0.00 H new ATOM 0 HE21 GLN A 96 22.587 7.680 10.057 1.00 0.00 H new ATOM 0 HE22 GLN A 96 21.684 6.958 11.392 1.00 0.00 H new ATOM 1513 N LYS A 97 20.018 11.846 8.030 1.00 0.00 N ATOM 1514 CA LYS A 97 19.839 13.110 8.737 1.00 0.00 C ATOM 1515 C LYS A 97 19.239 14.177 7.842 1.00 0.00 C ATOM 1516 O LYS A 97 18.570 15.069 8.317 1.00 0.00 O ATOM 1517 CB LYS A 97 21.153 13.608 9.351 1.00 0.00 C ATOM 1518 CG LYS A 97 21.778 12.659 10.371 1.00 0.00 C ATOM 1519 CD LYS A 97 20.847 12.366 11.545 1.00 0.00 C ATOM 1520 CE LYS A 97 20.488 13.624 12.326 1.00 0.00 C ATOM 1521 NZ LYS A 97 19.614 13.317 13.471 1.00 0.00 N1+ ATOM 0 H LYS A 97 20.991 11.558 7.928 1.00 0.00 H new ATOM 0 HA LYS A 97 19.137 12.915 9.548 1.00 0.00 H new ATOM 0 HB2 LYS A 97 21.870 13.782 8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 97 20.973 14.570 9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 97 22.041 11.723 9.878 1.00 0.00 H new ATOM 0 HG3 LYS A 97 22.705 13.093 10.746 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.935 11.898 11.175 1.00 0.00 H new ATOM 0 HD3 LYS A 97 21.324 11.649 12.214 1.00 0.00 H new ATOM 0 HE2 LYS A 97 21.399 14.106 12.681 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.989 14.333 11.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.900 13.891 14.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.628 13.535 13.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.696 12.308 13.710 1.00 0.00 H new ATOM 1535 N TYR A 98 19.467 14.069 6.550 1.00 0.00 N ATOM 1536 CA TYR A 98 18.925 15.025 5.614 1.00 0.00 C ATOM 1537 C TYR A 98 17.430 14.782 5.432 1.00 0.00 C ATOM 1538 O TYR A 98 16.645 15.713 5.476 1.00 0.00 O ATOM 1539 CB TYR A 98 19.682 14.974 4.261 1.00 0.00 C ATOM 1540 CG TYR A 98 19.060 15.823 3.166 1.00 0.00 C ATOM 1541 CD1 TYR A 98 19.030 17.207 3.261 1.00 0.00 C ATOM 1542 CD2 TYR A 98 18.489 15.233 2.042 1.00 0.00 C ATOM 1543 CE1 TYR A 98 18.444 17.975 2.275 1.00 0.00 C ATOM 1544 CE2 TYR A 98 17.908 15.995 1.049 1.00 0.00 C ATOM 1545 CZ TYR A 98 17.881 17.364 1.171 1.00 0.00 C ATOM 1546 OH TYR A 98 17.291 18.128 0.189 1.00 0.00 O ATOM 0 H TYR A 98 20.025 13.328 6.126 1.00 0.00 H new ATOM 0 HA TYR A 98 19.062 16.028 6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 98 20.709 15.302 4.420 1.00 0.00 H new ATOM 0 HB3 TYR A 98 19.727 13.939 3.921 1.00 0.00 H new ATOM 0 HD1 TYR A 98 19.472 17.691 4.120 1.00 0.00 H new ATOM 0 HD2 TYR A 98 18.501 14.157 1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 98 18.426 19.051 2.366 1.00 0.00 H new ATOM 0 HE2 TYR A 98 17.477 15.519 0.181 1.00 0.00 H new ATOM 0 HH TYR A 98 17.580 19.060 0.282 1.00 0.00 H new ATOM 1556 N TYR A 99 17.055 13.520 5.309 1.00 0.00 N ATOM 1557 CA TYR A 99 15.658 13.140 5.067 1.00 0.00 C ATOM 1558 C TYR A 99 14.779 13.554 6.228 1.00 0.00 C ATOM 1559 O TYR A 99 13.721 14.178 6.033 1.00 0.00 O ATOM 1560 CB TYR A 99 15.513 11.632 4.834 1.00 0.00 C ATOM 1561 CG TYR A 99 16.254 11.094 3.632 1.00 0.00 C ATOM 1562 CD1 TYR A 99 15.682 11.102 2.372 1.00 0.00 C ATOM 1563 CD2 TYR A 99 17.513 10.560 3.763 1.00 0.00 C ATOM 1564 CE1 TYR A 99 16.352 10.586 1.281 1.00 0.00 C ATOM 1565 CE2 TYR A 99 18.192 10.052 2.688 1.00 0.00 C ATOM 1566 CZ TYR A 99 17.612 10.062 1.451 1.00 0.00 C ATOM 1567 OH TYR A 99 18.289 9.524 0.389 1.00 0.00 O ATOM 0 H TYR A 99 17.698 12.730 5.372 1.00 0.00 H new ATOM 0 HA TYR A 99 15.338 13.662 4.165 1.00 0.00 H new ATOM 0 HB2 TYR A 99 15.865 11.108 5.723 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.454 11.397 4.723 1.00 0.00 H new ATOM 0 HD1 TYR A 99 14.695 11.519 2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 99 17.978 10.540 4.737 1.00 0.00 H new ATOM 0 HE1 TYR A 99 15.891 10.594 0.304 1.00 0.00 H new ATOM 0 HE2 TYR A 99 19.184 9.644 2.818 1.00 0.00 H new ATOM 0 HH TYR A 99 19.253 9.625 0.531 1.00 0.00 H new ATOM 1577 N GLU A 100 15.217 13.221 7.436 1.00 0.00 N ATOM 1578 CA GLU A 100 14.469 13.578 8.620 1.00 0.00 C ATOM 1579 C GLU A 100 14.399 15.090 8.809 1.00 0.00 C ATOM 1580 O GLU A 100 13.310 15.636 8.943 1.00 0.00 O ATOM 1581 CB GLU A 100 14.970 12.854 9.898 1.00 0.00 C ATOM 1582 CG GLU A 100 16.472 12.927 10.152 1.00 0.00 C ATOM 1583 CD GLU A 100 16.869 12.377 11.496 1.00 0.00 C ATOM 1584 OE1 GLU A 100 16.885 11.146 11.672 1.00 0.00 O1- ATOM 1585 OE2 GLU A 100 17.188 13.164 12.403 1.00 0.00 O ATOM 0 H GLU A 100 16.081 12.708 7.614 1.00 0.00 H new ATOM 0 HA GLU A 100 13.452 13.222 8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.453 13.277 10.759 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.681 11.805 9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.994 12.374 9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.797 13.965 10.080 1.00 0.00 H new ATOM 1592 N ALA A 101 15.550 15.764 8.720 1.00 0.00 N ATOM 1593 CA ALA A 101 15.635 17.211 8.949 1.00 0.00 C ATOM 1594 C ALA A 101 14.742 18.006 8.002 1.00 0.00 C ATOM 1595 O ALA A 101 14.224 19.063 8.375 1.00 0.00 O ATOM 1596 CB ALA A 101 17.071 17.683 8.842 1.00 0.00 C ATOM 0 H ALA A 101 16.442 15.327 8.489 1.00 0.00 H new ATOM 0 HA ALA A 101 15.272 17.394 9.960 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.114 18.758 9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.679 17.171 9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.454 17.460 7.846 1.00 0.00 H new ATOM 1602 N VAL A 102 14.560 17.499 6.793 1.00 0.00 N ATOM 1603 CA VAL A 102 13.698 18.152 5.828 1.00 0.00 C ATOM 1604 C VAL A 102 12.221 17.949 6.183 1.00 0.00 C ATOM 1605 O VAL A 102 11.480 18.916 6.414 1.00 0.00 O ATOM 1606 CB VAL A 102 13.935 17.649 4.371 1.00 0.00 C ATOM 1607 CG1 VAL A 102 12.923 18.266 3.420 1.00 0.00 C ATOM 1608 CG2 VAL A 102 15.322 18.002 3.899 1.00 0.00 C ATOM 0 H VAL A 102 14.997 16.640 6.460 1.00 0.00 H new ATOM 0 HA VAL A 102 13.952 19.211 5.871 1.00 0.00 H new ATOM 0 HB VAL A 102 13.820 16.565 4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.105 17.902 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.916 17.987 3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 102 13.021 19.351 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 102 15.463 17.640 2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.449 19.084 3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 102 16.059 17.537 4.554 1.00 0.00 H new ATOM 1618 N LYS A 103 11.805 16.695 6.281 1.00 0.00 N ATOM 1619 CA LYS A 103 10.391 16.409 6.418 1.00 0.00 C ATOM 1620 C LYS A 103 9.839 16.779 7.778 1.00 0.00 C ATOM 1621 O LYS A 103 8.653 16.966 7.900 1.00 0.00 O ATOM 1622 CB LYS A 103 10.043 14.974 6.062 1.00 0.00 C ATOM 1623 CG LYS A 103 10.404 13.937 7.113 1.00 0.00 C ATOM 1624 CD LYS A 103 10.098 12.550 6.602 1.00 0.00 C ATOM 1625 CE LYS A 103 11.071 12.142 5.485 1.00 0.00 C ATOM 1626 NZ LYS A 103 10.660 10.913 4.778 1.00 0.00 N1+ ATOM 0 H LYS A 103 12.414 15.877 6.268 1.00 0.00 H new ATOM 0 HA LYS A 103 9.901 17.054 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 103 8.972 14.915 5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.549 14.715 5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.462 14.015 7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.845 14.127 8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.162 11.835 7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.075 12.515 6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.152 12.957 4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 103 12.063 11.994 5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 11.418 10.614 4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.477 10.159 5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.794 11.099 4.233 1.00 0.00 H new ATOM 1640 N GLU A 104 10.700 16.890 8.790 1.00 0.00 N ATOM 1641 CA GLU A 104 10.271 17.323 10.129 1.00 0.00 C ATOM 1642 C GLU A 104 9.517 18.640 10.072 1.00 0.00 C ATOM 1643 O GLU A 104 8.500 18.807 10.728 1.00 0.00 O ATOM 1644 CB GLU A 104 11.468 17.451 11.073 1.00 0.00 C ATOM 1645 CG GLU A 104 11.967 16.134 11.633 1.00 0.00 C ATOM 1646 CD GLU A 104 11.009 15.545 12.644 1.00 0.00 C ATOM 1647 OE1 GLU A 104 10.064 14.813 12.259 1.00 0.00 O1- ATOM 1648 OE2 GLU A 104 11.184 15.801 13.854 1.00 0.00 O ATOM 0 H GLU A 104 11.697 16.688 8.713 1.00 0.00 H new ATOM 0 HA GLU A 104 9.598 16.557 10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.285 17.938 10.540 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.194 18.104 11.902 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.113 15.426 10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 104 12.940 16.285 12.101 1.00 0.00 H new ATOM 1655 N GLU A 105 9.981 19.545 9.236 1.00 0.00 N ATOM 1656 CA GLU A 105 9.367 20.857 9.118 1.00 0.00 C ATOM 1657 C GLU A 105 8.054 20.773 8.370 1.00 0.00 C ATOM 1658 O GLU A 105 7.100 21.488 8.676 1.00 0.00 O ATOM 1659 CB GLU A 105 10.299 21.816 8.394 1.00 0.00 C ATOM 1660 CG GLU A 105 11.642 21.968 9.057 1.00 0.00 C ATOM 1661 CD GLU A 105 11.524 22.454 10.482 1.00 0.00 C ATOM 1662 OE1 GLU A 105 11.413 21.618 11.413 1.00 0.00 O ATOM 1663 OE2 GLU A 105 11.533 23.680 10.706 1.00 0.00 O1- ATOM 0 H GLU A 105 10.784 19.398 8.625 1.00 0.00 H new ATOM 0 HA GLU A 105 9.177 21.228 10.125 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.445 21.465 7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.822 22.794 8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.162 21.010 9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.250 22.669 8.485 1.00 0.00 H new ATOM 1670 N LEU A 106 8.001 19.876 7.424 1.00 0.00 N ATOM 1671 CA LEU A 106 6.846 19.726 6.560 1.00 0.00 C ATOM 1672 C LEU A 106 5.767 18.949 7.279 1.00 0.00 C ATOM 1673 O LEU A 106 4.572 19.202 7.113 1.00 0.00 O ATOM 1674 CB LEU A 106 7.255 19.007 5.286 1.00 0.00 C ATOM 1675 CG LEU A 106 8.483 19.576 4.573 1.00 0.00 C ATOM 1676 CD1 LEU A 106 8.750 18.841 3.285 1.00 0.00 C ATOM 1677 CD2 LEU A 106 8.350 21.073 4.331 1.00 0.00 C ATOM 0 H LEU A 106 8.758 19.222 7.224 1.00 0.00 H new ATOM 0 HA LEU A 106 6.454 20.710 6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.448 17.961 5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.414 19.025 4.593 1.00 0.00 H new ATOM 0 HG LEU A 106 9.339 19.427 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.628 19.266 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.927 17.787 3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.888 18.938 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.242 21.440 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.474 21.265 3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.239 21.587 5.286 1.00 0.00 H new ATOM 1689 N ASP A 107 6.207 18.039 8.124 1.00 0.00 N ATOM 1690 CA ASP A 107 5.334 17.200 8.921 1.00 0.00 C ATOM 1691 C ASP A 107 4.489 18.018 9.875 1.00 0.00 C ATOM 1692 O ASP A 107 3.388 17.653 10.183 1.00 0.00 O ATOM 1693 CB ASP A 107 6.131 16.049 9.594 1.00 0.00 C ATOM 1694 CG ASP A 107 5.388 15.238 10.619 1.00 0.00 C ATOM 1695 OD1 ASP A 107 4.594 14.351 10.221 1.00 0.00 O ATOM 1696 OD2 ASP A 107 5.672 15.390 11.832 1.00 0.00 O1- ATOM 0 H ASP A 107 7.199 17.858 8.279 1.00 0.00 H new ATOM 0 HA ASP A 107 4.617 16.713 8.260 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.484 15.375 8.814 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.014 16.476 10.069 1.00 0.00 H new ATOM 1701 N ARG A 108 4.973 19.198 10.198 1.00 0.00 N ATOM 1702 CA ARG A 108 4.290 20.143 11.083 1.00 0.00 C ATOM 1703 C ARG A 108 3.100 20.830 10.396 1.00 0.00 C ATOM 1704 O ARG A 108 2.311 21.519 11.040 1.00 0.00 O ATOM 1705 CB ARG A 108 5.277 21.167 11.534 1.00 0.00 C ATOM 1706 CG ARG A 108 6.394 20.546 12.312 1.00 0.00 C ATOM 1707 CD ARG A 108 7.586 21.405 12.275 1.00 0.00 C ATOM 1708 NE ARG A 108 7.402 22.696 12.969 1.00 0.00 N ATOM 1709 CZ ARG A 108 8.379 23.584 13.226 1.00 0.00 C ATOM 1710 NH1 ARG A 108 9.641 23.312 12.919 1.00 0.00 N1+ ATOM 1711 NH2 ARG A 108 8.083 24.743 13.795 1.00 0.00 N ATOM 0 H ARG A 108 5.868 19.543 9.851 1.00 0.00 H new ATOM 0 HA ARG A 108 3.889 19.590 11.933 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.682 21.690 10.668 1.00 0.00 H new ATOM 0 HB3 ARG A 108 4.774 21.913 12.150 1.00 0.00 H new ATOM 0 HG2 ARG A 108 6.083 20.390 13.345 1.00 0.00 H new ATOM 0 HG3 ARG A 108 6.632 19.566 11.899 1.00 0.00 H new ATOM 0 HD2 ARG A 108 8.422 20.873 12.729 1.00 0.00 H new ATOM 0 HD3 ARG A 108 7.856 21.595 11.236 1.00 0.00 H new ATOM 0 HE ARG A 108 6.459 22.933 13.278 1.00 0.00 H new ATOM 0 HH11 ARG A 108 9.879 22.421 12.483 1.00 0.00 H new ATOM 0 HH12 ARG A 108 10.373 23.994 13.119 1.00 0.00 H new ATOM 0 HH21 ARG A 108 7.116 24.960 14.037 1.00 0.00 H new ATOM 0 HH22 ARG A 108 8.822 25.418 13.991 1.00 0.00 H new ATOM 1725 N ASP A 109 3.005 20.685 9.085 1.00 0.00 N ATOM 1726 CA ASP A 109 1.860 21.223 8.343 1.00 0.00 C ATOM 1727 C ASP A 109 0.797 20.150 8.323 1.00 0.00 C ATOM 1728 O ASP A 109 -0.406 20.415 8.412 1.00 0.00 O ATOM 1729 CB ASP A 109 2.263 21.581 6.892 1.00 0.00 C ATOM 1730 CG ASP A 109 1.165 22.300 6.093 1.00 0.00 C ATOM 1731 OD1 ASP A 109 0.091 21.716 5.836 1.00 0.00 O1- ATOM 1732 OD2 ASP A 109 1.379 23.477 5.696 1.00 0.00 O ATOM 0 H ASP A 109 3.697 20.205 8.510 1.00 0.00 H new ATOM 0 HA ASP A 109 1.497 22.133 8.821 1.00 0.00 H new ATOM 0 HB2 ASP A 109 3.150 22.213 6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.539 20.666 6.367 1.00 0.00 H new ATOM 1737 N ILE A 110 1.269 18.931 8.247 1.00 0.00 N ATOM 1738 CA ILE A 110 0.430 17.756 8.173 1.00 0.00 C ATOM 1739 C ILE A 110 -0.158 17.471 9.547 1.00 0.00 C ATOM 1740 O ILE A 110 -1.373 17.314 9.706 1.00 0.00 O ATOM 1741 CB ILE A 110 1.269 16.526 7.749 1.00 0.00 C ATOM 1742 CG1 ILE A 110 2.146 16.867 6.540 1.00 0.00 C ATOM 1743 CG2 ILE A 110 0.350 15.347 7.420 1.00 0.00 C ATOM 1744 CD1 ILE A 110 3.152 15.795 6.202 1.00 0.00 C ATOM 0 H ILE A 110 2.267 18.721 8.234 1.00 0.00 H new ATOM 0 HA ILE A 110 -0.359 17.937 7.443 1.00 0.00 H new ATOM 0 HB ILE A 110 1.917 16.245 8.579 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.506 17.039 5.674 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.674 17.800 6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.952 14.488 7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -0.241 15.090 8.299 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.317 15.622 6.603 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.737 16.105 5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.816 15.639 7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.630 14.866 5.973 1.00 0.00 H new ATOM 1973 N ILE B 206 25.766 15.576 8.382 1.00 0.00 N ATOM 1974 CA ILE B 206 26.024 15.448 6.978 1.00 0.00 C ATOM 1975 C ILE B 206 26.387 16.842 6.585 1.00 0.00 C ATOM 1976 O ILE B 206 25.941 17.779 7.252 1.00 0.00 O ATOM 1977 CB ILE B 206 24.750 15.058 6.179 1.00 0.00 C ATOM 1978 CG1 ILE B 206 23.974 13.914 6.849 1.00 0.00 C ATOM 1979 CG2 ILE B 206 25.123 14.667 4.757 1.00 0.00 C ATOM 1980 CD1 ILE B 206 24.727 12.595 6.915 1.00 0.00 C ATOM 0 HA ILE B 206 26.774 14.683 6.778 1.00 0.00 H new ATOM 0 HB ILE B 206 24.098 15.932 6.161 1.00 0.00 H new ATOM 0 HG12 ILE B 206 23.708 14.217 7.862 1.00 0.00 H new ATOM 0 HG13 ILE B 206 23.041 13.759 6.307 1.00 0.00 H new ATOM 0 HG21 ILE B 206 24.222 14.396 4.206 1.00 0.00 H new ATOM 0 HG22 ILE B 206 25.610 15.508 4.264 1.00 0.00 H new ATOM 0 HG23 ILE B 206 25.804 13.816 4.780 1.00 0.00 H new ATOM 0 HD11 ILE B 206 24.105 11.845 7.403 1.00 0.00 H new ATOM 0 HD12 ILE B 206 24.970 12.264 5.905 1.00 0.00 H new ATOM 0 HD13 ILE B 206 25.647 12.729 7.484 1.00 0.00 H new ATOM 1992 N ASP B 207 27.112 17.033 5.535 1.00 0.00 N ATOM 1993 CA ASP B 207 27.546 18.374 5.235 1.00 0.00 C ATOM 1994 C ASP B 207 26.591 19.052 4.275 1.00 0.00 C ATOM 1995 O ASP B 207 26.837 20.148 3.800 1.00 0.00 O ATOM 1996 CB ASP B 207 28.952 18.363 4.698 1.00 0.00 C ATOM 1997 CG ASP B 207 29.662 19.678 4.945 1.00 0.00 C ATOM 1998 OD1 ASP B 207 30.131 19.896 6.084 1.00 0.00 O1- ATOM 1999 OD2 ASP B 207 29.774 20.512 4.019 1.00 0.00 O ATOM 0 H ASP B 207 27.414 16.310 4.882 1.00 0.00 H new ATOM 0 HA ASP B 207 27.543 18.953 6.159 1.00 0.00 H new ATOM 0 HB2 ASP B 207 29.513 17.554 5.166 1.00 0.00 H new ATOM 0 HB3 ASP B 207 28.930 18.158 3.628 1.00 0.00 H new ATOM 2004 N ILE B 208 25.480 18.408 4.001 1.00 0.00 N ATOM 2005 CA ILE B 208 24.503 19.007 3.129 1.00 0.00 C ATOM 2006 C ILE B 208 23.526 19.831 3.973 1.00 0.00 C ATOM 2007 O ILE B 208 23.659 21.051 4.067 1.00 0.00 O ATOM 2008 CB ILE B 208 23.690 17.971 2.308 1.00 0.00 C ATOM 2009 CG1 ILE B 208 24.561 16.796 1.869 1.00 0.00 C ATOM 2010 CG2 ILE B 208 23.128 18.662 1.076 1.00 0.00 C ATOM 2011 CD1 ILE B 208 23.802 15.722 1.109 1.00 0.00 C ATOM 0 H ILE B 208 25.235 17.486 4.363 1.00 0.00 H new ATOM 0 HA ILE B 208 25.051 19.625 2.418 1.00 0.00 H new ATOM 0 HB ILE B 208 22.889 17.581 2.937 1.00 0.00 H new ATOM 0 HG12 ILE B 208 25.370 17.170 1.241 1.00 0.00 H new ATOM 0 HG13 ILE B 208 25.022 16.348 2.749 1.00 0.00 H new ATOM 0 HG21 ILE B 208 22.553 17.946 0.488 1.00 0.00 H new ATOM 0 HG22 ILE B 208 22.480 19.483 1.383 1.00 0.00 H new ATOM 0 HG23 ILE B 208 23.947 19.053 0.473 1.00 0.00 H new ATOM 0 HD11 ILE B 208 24.487 14.921 0.831 1.00 0.00 H new ATOM 0 HD12 ILE B 208 23.010 15.320 1.741 1.00 0.00 H new ATOM 0 HD13 ILE B 208 23.364 16.154 0.209 1.00 0.00 H new ATOM 2023 N MET B 209 22.591 19.118 4.648 1.00 0.00 N ATOM 2024 CA MET B 209 21.511 19.714 5.484 1.00 0.00 C ATOM 2025 C MET B 209 20.541 20.582 4.645 1.00 0.00 C ATOM 2026 O MET B 209 20.924 21.136 3.620 1.00 0.00 O ATOM 2027 CB MET B 209 22.074 20.508 6.683 1.00 0.00 C ATOM 2028 CG MET B 209 22.843 19.685 7.728 1.00 0.00 C ATOM 2029 SD MET B 209 21.835 18.814 8.983 1.00 0.00 S ATOM 2030 CE MET B 209 21.046 17.488 8.076 1.00 0.00 C ATOM 0 H MET B 209 22.563 18.099 4.629 1.00 0.00 H new ATOM 0 HA MET B 209 20.938 18.879 5.888 1.00 0.00 H new ATOM 0 HB2 MET B 209 22.736 21.285 6.301 1.00 0.00 H new ATOM 0 HB3 MET B 209 21.246 21.011 7.182 1.00 0.00 H new ATOM 0 HG2 MET B 209 23.448 18.946 7.203 1.00 0.00 H new ATOM 0 HG3 MET B 209 23.533 20.351 8.246 1.00 0.00 H new ATOM 0 HE1 MET B 209 20.958 16.611 8.717 1.00 0.00 H new ATOM 0 HE2 MET B 209 20.053 17.806 7.757 1.00 0.00 H new ATOM 0 HE3 MET B 209 21.646 17.239 7.201 1.00 0.00 H new ATOM 2040 N PRO B 210 19.267 20.672 5.048 1.00 0.00 N ATOM 2041 CA PRO B 210 18.255 21.454 4.318 1.00 0.00 C ATOM 2042 C PRO B 210 18.580 22.957 4.215 1.00 0.00 C ATOM 2043 O PRO B 210 19.220 23.548 5.106 1.00 0.00 O ATOM 2044 CB PRO B 210 16.984 21.253 5.142 1.00 0.00 C ATOM 2045 CG PRO B 210 17.451 20.811 6.479 1.00 0.00 C ATOM 2046 CD PRO B 210 18.684 20.012 6.229 1.00 0.00 C ATOM 0 HA PRO B 210 18.184 21.120 3.283 1.00 0.00 H new ATOM 0 HB2 PRO B 210 16.410 22.177 5.211 1.00 0.00 H new ATOM 0 HB3 PRO B 210 16.333 20.507 4.686 1.00 0.00 H new ATOM 0 HG2 PRO B 210 17.661 21.665 7.123 1.00 0.00 H new ATOM 0 HG3 PRO B 210 16.691 20.212 6.981 1.00 0.00 H new ATOM 0 HD2 PRO B 210 19.362 20.037 7.082 1.00 0.00 H new ATOM 0 HD3 PRO B 210 18.455 18.964 6.035 1.00 0.00 H new ATOM 2054 N ASP B 211 18.149 23.541 3.130 1.00 0.00 N ATOM 2055 CA ASP B 211 18.303 24.960 2.843 1.00 0.00 C ATOM 2056 C ASP B 211 16.962 25.679 3.002 1.00 0.00 C ATOM 2057 O ASP B 211 16.884 26.717 3.655 1.00 0.00 O ATOM 2058 CB ASP B 211 18.820 25.147 1.418 1.00 0.00 C ATOM 2059 CG ASP B 211 18.817 26.590 0.978 1.00 0.00 C ATOM 2060 OD1 ASP B 211 19.756 27.325 1.303 1.00 0.00 O ATOM 2061 OD2 ASP B 211 17.883 26.995 0.263 1.00 0.00 O1- ATOM 0 H ASP B 211 17.663 23.034 2.390 1.00 0.00 H new ATOM 0 HA ASP B 211 19.019 25.385 3.546 1.00 0.00 H new ATOM 0 HB2 ASP B 211 19.834 24.754 1.350 1.00 0.00 H new ATOM 0 HB3 ASP B 211 18.205 24.562 0.734 1.00 0.00 H new ATOM 2066 N PHE B 212 15.917 25.105 2.399 1.00 0.00 N ATOM 2067 CA PHE B 212 14.525 25.634 2.469 1.00 0.00 C ATOM 2068 C PHE B 212 14.341 27.102 2.015 1.00 0.00 C ATOM 2069 O PHE B 212 13.407 27.767 2.475 1.00 0.00 O ATOM 2070 CB PHE B 212 13.915 25.488 3.880 1.00 0.00 C ATOM 2071 CG PHE B 212 13.556 24.096 4.291 1.00 0.00 C ATOM 2072 CD1 PHE B 212 12.576 23.404 3.613 1.00 0.00 C ATOM 2073 CD2 PHE B 212 14.166 23.495 5.373 1.00 0.00 C ATOM 2074 CE1 PHE B 212 12.213 22.133 4.000 1.00 0.00 C ATOM 2075 CE2 PHE B 212 13.806 22.221 5.763 1.00 0.00 C ATOM 2076 CZ PHE B 212 12.826 21.545 5.071 1.00 0.00 C ATOM 0 H PHE B 212 15.999 24.255 1.842 1.00 0.00 H new ATOM 0 HA PHE B 212 13.998 25.008 1.749 1.00 0.00 H new ATOM 0 HB2 PHE B 212 14.623 25.890 4.605 1.00 0.00 H new ATOM 0 HB3 PHE B 212 13.018 26.106 3.934 1.00 0.00 H new ATOM 0 HD1 PHE B 212 12.086 23.864 2.767 1.00 0.00 H new ATOM 0 HD2 PHE B 212 14.932 24.026 5.919 1.00 0.00 H new ATOM 0 HE1 PHE B 212 11.445 21.602 3.458 1.00 0.00 H new ATOM 0 HE2 PHE B 212 14.291 21.756 6.608 1.00 0.00 H new ATOM 0 HZ PHE B 212 12.541 20.549 5.375 1.00 0.00 H new ATOM 2086 N SER B 213 15.118 27.597 1.095 1.00 0.00 N ATOM 2087 CA SER B 213 14.932 28.946 0.685 1.00 0.00 C ATOM 2088 C SER B 213 14.282 28.916 -0.669 1.00 0.00 C ATOM 2089 O SER B 213 14.282 27.875 -1.317 1.00 0.00 O ATOM 2090 CB SER B 213 16.287 29.650 0.630 1.00 0.00 C ATOM 2091 OG SER B 213 16.966 29.515 1.877 1.00 0.00 O ATOM 0 H SER B 213 15.871 27.093 0.626 1.00 0.00 H new ATOM 0 HA SER B 213 14.301 29.494 1.385 1.00 0.00 H new ATOM 0 HB2 SER B 213 16.893 29.225 -0.170 1.00 0.00 H new ATOM 0 HB3 SER B 213 16.147 30.706 0.397 1.00 0.00 H new ATOM 0 HG SER B 213 17.833 29.969 1.828 1.00 0.00 H new ATOM 2097 N PRO B 214 13.633 29.969 -1.093 1.00 0.00 N ATOM 2098 CA PRO B 214 13.158 30.031 -2.440 1.00 0.00 C ATOM 2099 C PRO B 214 14.251 30.517 -3.339 1.00 0.00 C ATOM 2100 O PRO B 214 15.371 30.859 -2.897 1.00 0.00 O ATOM 2101 CB PRO B 214 12.084 31.100 -2.411 1.00 0.00 C ATOM 2102 CG PRO B 214 12.475 32.001 -1.293 1.00 0.00 C ATOM 2103 CD PRO B 214 13.254 31.166 -0.307 1.00 0.00 C ATOM 0 HA PRO B 214 12.810 29.061 -2.794 1.00 0.00 H new ATOM 0 HB2 PRO B 214 12.038 31.640 -3.357 1.00 0.00 H new ATOM 0 HB3 PRO B 214 11.098 30.666 -2.243 1.00 0.00 H new ATOM 0 HG2 PRO B 214 13.080 32.830 -1.659 1.00 0.00 H new ATOM 0 HG3 PRO B 214 11.594 32.434 -0.820 1.00 0.00 H new ATOM 0 HD2 PRO B 214 14.131 31.697 0.064 1.00 0.00 H new ATOM 0 HD3 PRO B 214 12.650 30.902 0.561 1.00 0.00 H new ATOM 2111 N SER B 215 13.992 30.464 -4.553 1.00 0.00 N ATOM 2112 CA SER B 215 14.764 31.170 -5.472 1.00 0.00 C ATOM 2113 C SER B 215 14.109 32.551 -5.636 1.00 0.00 C ATOM 2114 O SER B 215 13.089 32.879 -5.010 1.00 0.00 O ATOM 2115 CB SER B 215 14.851 30.449 -6.821 1.00 0.00 C ATOM 2116 OG SER B 215 13.632 30.561 -7.547 1.00 0.00 O ATOM 0 H SER B 215 13.228 29.924 -4.958 1.00 0.00 H new ATOM 0 HA SER B 215 15.788 31.258 -5.109 1.00 0.00 H new ATOM 0 HB2 SER B 215 15.667 30.870 -7.409 1.00 0.00 H new ATOM 0 HB3 SER B 215 15.085 29.397 -6.659 1.00 0.00 H new ATOM 0 HG SER B 215 13.048 29.806 -7.325 1.00 0.00 H new ATOM 2122 N GLY B 216 14.681 33.294 -6.455 1.00 0.00 N ATOM 2123 CA GLY B 216 14.218 34.595 -6.789 1.00 0.00 C ATOM 2124 C GLY B 216 13.691 34.579 -8.190 1.00 0.00 C ATOM 2125 O GLY B 216 13.077 35.540 -8.646 1.00 0.00 O ATOM 0 H GLY B 216 15.530 33.024 -6.951 1.00 0.00 H new ATOM 0 HA2 GLY B 216 13.436 34.906 -6.096 1.00 0.00 H new ATOM 0 HA3 GLY B 216 15.029 35.318 -6.700 1.00 0.00 H new ATOM 2129 N LEU B 217 13.901 33.438 -8.876 1.00 0.00 N ATOM 2130 CA LEU B 217 13.423 33.259 -10.242 1.00 0.00 C ATOM 2131 C LEU B 217 11.937 33.188 -10.165 1.00 0.00 C ATOM 2132 O LEU B 217 11.215 33.792 -10.933 1.00 0.00 O ATOM 2133 CB LEU B 217 13.853 31.892 -10.828 1.00 0.00 C ATOM 2134 CG LEU B 217 15.295 31.436 -10.669 1.00 0.00 C ATOM 2135 CD1 LEU B 217 15.495 30.112 -11.369 1.00 0.00 C ATOM 2136 CD2 LEU B 217 16.254 32.446 -11.203 1.00 0.00 C ATOM 0 H LEU B 217 14.399 32.633 -8.498 1.00 0.00 H new ATOM 0 HA LEU B 217 13.817 34.070 -10.854 1.00 0.00 H new ATOM 0 HB2 LEU B 217 13.217 31.129 -10.380 1.00 0.00 H new ATOM 0 HB3 LEU B 217 13.630 31.908 -11.895 1.00 0.00 H new ATOM 0 HG LEU B 217 15.494 31.320 -9.604 1.00 0.00 H new ATOM 0 HD11 LEU B 217 16.530 29.791 -11.251 1.00 0.00 H new ATOM 0 HD12 LEU B 217 14.832 29.366 -10.932 1.00 0.00 H new ATOM 0 HD13 LEU B 217 15.268 30.223 -12.429 1.00 0.00 H new ATOM 0 HD21 LEU B 217 17.274 32.084 -11.072 1.00 0.00 H new ATOM 0 HD22 LEU B 217 16.060 32.607 -12.263 1.00 0.00 H new ATOM 0 HD23 LEU B 217 16.130 33.386 -10.665 1.00 0.00 H new ATOM 2148 N LEU B 218 11.523 32.467 -9.166 1.00 0.00 N ATOM 2149 CA LEU B 218 10.178 32.062 -8.926 1.00 0.00 C ATOM 2150 C LEU B 218 9.174 33.222 -8.951 1.00 0.00 C ATOM 2151 O LEU B 218 8.141 33.151 -9.631 1.00 0.00 O ATOM 2152 CB LEU B 218 10.153 31.328 -7.606 1.00 0.00 C ATOM 2153 CG LEU B 218 9.106 30.222 -7.507 1.00 0.00 C ATOM 2154 CD1 LEU B 218 9.249 29.262 -8.658 1.00 0.00 C ATOM 2155 CD2 LEU B 218 9.253 29.471 -6.228 1.00 0.00 C ATOM 0 H LEU B 218 12.164 32.125 -8.450 1.00 0.00 H new ATOM 0 HA LEU B 218 9.857 31.409 -9.738 1.00 0.00 H new ATOM 0 HB2 LEU B 218 11.137 30.894 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU B 218 9.975 32.050 -6.809 1.00 0.00 H new ATOM 0 HG LEU B 218 8.121 30.689 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU B 218 8.496 28.479 -8.574 1.00 0.00 H new ATOM 0 HD12 LEU B 218 9.113 29.798 -9.598 1.00 0.00 H new ATOM 0 HD13 LEU B 218 10.242 28.814 -8.637 1.00 0.00 H new ATOM 0 HD21 LEU B 218 8.497 28.687 -6.177 1.00 0.00 H new ATOM 0 HD22 LEU B 218 10.245 29.022 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU B 218 9.124 30.154 -5.388 1.00 0.00 H new ATOM 2167 N GLU B 219 9.509 34.305 -8.287 1.00 0.00 N ATOM 2168 CA GLU B 219 8.624 35.463 -8.220 1.00 0.00 C ATOM 2169 C GLU B 219 8.595 36.254 -9.539 1.00 0.00 C ATOM 2170 O GLU B 219 7.749 37.115 -9.738 1.00 0.00 O ATOM 2171 CB GLU B 219 8.996 36.362 -7.049 1.00 0.00 C ATOM 2172 CG GLU B 219 10.457 36.761 -7.015 1.00 0.00 C ATOM 2173 CD GLU B 219 10.753 37.712 -5.905 1.00 0.00 C ATOM 2174 OE1 GLU B 219 10.755 37.300 -4.732 1.00 0.00 O1- ATOM 2175 OE2 GLU B 219 10.952 38.910 -6.182 1.00 0.00 O ATOM 0 H GLU B 219 10.388 34.416 -7.782 1.00 0.00 H new ATOM 0 HA GLU B 219 7.614 35.086 -8.057 1.00 0.00 H new ATOM 0 HB2 GLU B 219 8.385 37.264 -7.089 1.00 0.00 H new ATOM 0 HB3 GLU B 219 8.749 35.850 -6.119 1.00 0.00 H new ATOM 0 HG2 GLU B 219 11.073 35.869 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU B 219 10.730 37.218 -7.966 1.00 0.00 H new ATOM 2182 N LEU B 220 9.506 35.947 -10.431 1.00 0.00 N ATOM 2183 CA LEU B 220 9.557 36.603 -11.724 1.00 0.00 C ATOM 2184 C LEU B 220 8.757 35.785 -12.724 1.00 0.00 C ATOM 2185 O LEU B 220 8.112 36.328 -13.636 1.00 0.00 O ATOM 2186 CB LEU B 220 11.013 36.700 -12.217 1.00 0.00 C ATOM 2187 CG LEU B 220 12.010 37.404 -11.293 1.00 0.00 C ATOM 2188 CD1 LEU B 220 13.413 37.342 -11.875 1.00 0.00 C ATOM 2189 CD2 LEU B 220 11.604 38.843 -11.066 1.00 0.00 C ATOM 0 H LEU B 220 10.229 35.242 -10.287 1.00 0.00 H new ATOM 0 HA LEU B 220 9.142 37.606 -11.630 1.00 0.00 H new ATOM 0 HB2 LEU B 220 11.377 35.689 -12.402 1.00 0.00 H new ATOM 0 HB3 LEU B 220 11.013 37.219 -13.175 1.00 0.00 H new ATOM 0 HG LEU B 220 12.006 36.887 -10.334 1.00 0.00 H new ATOM 0 HD11 LEU B 220 14.108 37.848 -11.204 1.00 0.00 H new ATOM 0 HD12 LEU B 220 13.713 36.301 -11.991 1.00 0.00 H new ATOM 0 HD13 LEU B 220 13.425 37.833 -12.848 1.00 0.00 H new ATOM 0 HD21 LEU B 220 12.326 39.325 -10.407 1.00 0.00 H new ATOM 0 HD22 LEU B 220 11.577 39.368 -12.021 1.00 0.00 H new ATOM 0 HD23 LEU B 220 10.616 38.874 -10.607 1.00 0.00 H new ATOM 2201 N GLU B 221 8.772 34.483 -12.511 1.00 0.00 N ATOM 2202 CA GLU B 221 8.179 33.523 -13.420 1.00 0.00 C ATOM 2203 C GLU B 221 6.675 33.446 -13.291 1.00 0.00 C ATOM 2204 O GLU B 221 5.993 33.144 -14.266 1.00 0.00 O ATOM 2205 CB GLU B 221 8.785 32.144 -13.197 1.00 0.00 C ATOM 2206 CG GLU B 221 10.293 32.127 -13.319 1.00 0.00 C ATOM 2207 CD GLU B 221 10.776 32.599 -14.658 1.00 0.00 C ATOM 2208 OE1 GLU B 221 10.862 31.786 -15.592 1.00 0.00 O ATOM 2209 OE2 GLU B 221 11.112 33.771 -14.791 1.00 0.00 O1- ATOM 0 H GLU B 221 9.203 34.057 -11.690 1.00 0.00 H new ATOM 0 HA GLU B 221 8.400 33.869 -14.430 1.00 0.00 H new ATOM 0 HB2 GLU B 221 8.503 31.787 -12.206 1.00 0.00 H new ATOM 0 HB3 GLU B 221 8.361 31.447 -13.920 1.00 0.00 H new ATOM 0 HG2 GLU B 221 10.722 32.758 -12.541 1.00 0.00 H new ATOM 0 HG3 GLU B 221 10.655 31.114 -13.144 1.00 0.00 H new ATOM 2461 N PRO C 315 -4.046 24.330 -0.285 1.00 0.00 N ATOM 2462 CA PRO C 315 -2.630 24.743 -0.225 1.00 0.00 C ATOM 2463 C PRO C 315 -1.997 24.591 1.164 1.00 0.00 C ATOM 2464 O PRO C 315 -2.680 24.677 2.205 1.00 0.00 O ATOM 2465 CB PRO C 315 -2.668 26.232 -0.613 1.00 0.00 C ATOM 2466 CG PRO C 315 -3.941 26.404 -1.336 1.00 0.00 C ATOM 2467 CD PRO C 315 -4.904 25.465 -0.691 1.00 0.00 C ATOM 0 HA PRO C 315 -2.022 24.116 -0.877 1.00 0.00 H new ATOM 0 HB2 PRO C 315 -2.625 26.871 0.269 1.00 0.00 H new ATOM 0 HB3 PRO C 315 -1.818 26.498 -1.241 1.00 0.00 H new ATOM 0 HG2 PRO C 315 -4.293 27.433 -1.268 1.00 0.00 H new ATOM 0 HG3 PRO C 315 -3.823 26.177 -2.395 1.00 0.00 H new ATOM 0 HD2 PRO C 315 -5.400 25.922 0.165 1.00 0.00 H new ATOM 0 HD3 PRO C 315 -5.686 25.152 -1.383 1.00 0.00 H new ATOM 2475 N GLY C 316 -0.699 24.365 1.164 1.00 0.00 N ATOM 2476 CA GLY C 316 0.056 24.248 2.382 1.00 0.00 C ATOM 2477 C GLY C 316 0.642 25.583 2.793 1.00 0.00 C ATOM 2478 O GLY C 316 0.503 26.575 2.073 1.00 0.00 O ATOM 0 H GLY C 316 -0.143 24.258 0.316 1.00 0.00 H new ATOM 0 HA2 GLY C 316 -0.587 23.870 3.177 1.00 0.00 H new ATOM 0 HA3 GLY C 316 0.858 23.522 2.248 1.00 0.00 H new ATOM 2482 N SER C 317 1.299 25.613 3.929 1.00 0.00 N ATOM 2483 CA SER C 317 1.883 26.835 4.473 1.00 0.00 C ATOM 2484 C SER C 317 3.090 27.316 3.634 1.00 0.00 C ATOM 2485 O SER C 317 3.405 28.497 3.604 1.00 0.00 O ATOM 2486 CB SER C 317 2.330 26.578 5.910 1.00 0.00 C ATOM 2487 OG SER C 317 1.300 25.927 6.646 1.00 0.00 O ATOM 0 H SER C 317 1.449 24.789 4.512 1.00 0.00 H new ATOM 0 HA SER C 317 1.125 27.617 4.444 1.00 0.00 H new ATOM 0 HB2 SER C 317 3.230 25.963 5.912 1.00 0.00 H new ATOM 0 HB3 SER C 317 2.587 27.522 6.391 1.00 0.00 H new ATOM 0 HG SER C 317 1.373 24.957 6.523 1.00 0.00 H new ATOM 2493 N ARG C 318 3.742 26.401 2.941 1.00 0.00 N ATOM 2494 CA ARG C 318 4.932 26.727 2.145 1.00 0.00 C ATOM 2495 C ARG C 318 4.633 27.471 0.834 1.00 0.00 C ATOM 2496 O ARG C 318 5.553 27.759 0.057 1.00 0.00 O ATOM 2497 CB ARG C 318 5.784 25.477 1.891 1.00 0.00 C ATOM 2498 CG ARG C 318 6.730 25.098 3.034 1.00 0.00 C ATOM 2499 CD ARG C 318 8.027 25.935 3.003 1.00 0.00 C ATOM 2500 NE ARG C 318 7.801 27.383 3.118 1.00 0.00 N ATOM 2501 CZ ARG C 318 8.152 28.313 2.190 1.00 0.00 C ATOM 2502 NH1 ARG C 318 8.749 27.938 1.044 1.00 0.00 N1+ ATOM 2503 NH2 ARG C 318 7.892 29.603 2.411 1.00 0.00 N ATOM 0 H ARG C 318 3.473 25.418 2.907 1.00 0.00 H new ATOM 0 HA ARG C 318 5.504 27.430 2.751 1.00 0.00 H new ATOM 0 HB2 ARG C 318 5.119 24.636 1.695 1.00 0.00 H new ATOM 0 HB3 ARG C 318 6.374 25.634 0.988 1.00 0.00 H new ATOM 0 HG2 ARG C 318 6.225 25.245 3.989 1.00 0.00 H new ATOM 0 HG3 ARG C 318 6.979 24.039 2.965 1.00 0.00 H new ATOM 0 HD2 ARG C 318 8.676 25.612 3.817 1.00 0.00 H new ATOM 0 HD3 ARG C 318 8.557 25.732 2.073 1.00 0.00 H new ATOM 0 HE ARG C 318 7.342 27.718 3.965 1.00 0.00 H new ATOM 0 HH11 ARG C 318 8.940 26.952 0.868 1.00 0.00 H new ATOM 0 HH12 ARG C 318 9.010 28.640 0.352 1.00 0.00 H new ATOM 0 HH21 ARG C 318 7.431 29.890 3.275 1.00 0.00 H new ATOM 0 HH22 ARG C 318 8.154 30.302 1.716 1.00 0.00 H new ATOM 2517 N TRP C 319 3.384 27.806 0.601 1.00 0.00 N ATOM 2518 CA TRP C 319 3.009 28.524 -0.596 1.00 0.00 C ATOM 2519 C TRP C 319 3.128 30.012 -0.333 1.00 0.00 C ATOM 2520 O TRP C 319 2.690 30.502 0.717 1.00 0.00 O ATOM 2521 CB TRP C 319 1.578 28.150 -1.011 1.00 0.00 C ATOM 2522 CG TRP C 319 1.117 28.703 -2.335 1.00 0.00 C ATOM 2523 CD1 TRP C 319 1.798 28.715 -3.523 1.00 0.00 C ATOM 2524 CD2 TRP C 319 -0.167 29.261 -2.610 1.00 0.00 C ATOM 2525 NE1 TRP C 319 1.015 29.278 -4.502 1.00 0.00 N ATOM 2526 CE2 TRP C 319 -0.195 29.611 -3.967 1.00 0.00 C ATOM 2527 CE3 TRP C 319 -1.294 29.501 -1.833 1.00 0.00 C ATOM 2528 CZ2 TRP C 319 -1.311 30.190 -4.567 1.00 0.00 C ATOM 2529 CZ3 TRP C 319 -2.398 30.069 -2.423 1.00 0.00 C ATOM 2530 CH2 TRP C 319 -2.403 30.406 -3.779 1.00 0.00 C ATOM 0 H TRP C 319 2.608 27.592 1.227 1.00 0.00 H new ATOM 0 HA TRP C 319 3.674 28.253 -1.416 1.00 0.00 H new ATOM 0 HB2 TRP C 319 1.501 27.063 -1.045 1.00 0.00 H new ATOM 0 HB3 TRP C 319 0.893 28.494 -0.236 1.00 0.00 H new ATOM 0 HD1 TRP C 319 2.800 28.339 -3.669 1.00 0.00 H new ATOM 0 HE1 TRP C 319 1.294 29.423 -5.472 1.00 0.00 H new ATOM 0 HE3 TRP C 319 -1.302 29.246 -0.784 1.00 0.00 H new ATOM 0 HZ2 TRP C 319 -1.311 30.457 -5.613 1.00 0.00 H new ATOM 0 HZ3 TRP C 319 -3.278 30.258 -1.827 1.00 0.00 H new ATOM 0 HH2 TRP C 319 -3.289 30.846 -4.212 1.00 0.00 H new ATOM 2541 N ASP C 320 3.754 30.710 -1.249 1.00 0.00 N ATOM 2542 CA ASP C 320 3.920 32.152 -1.125 1.00 0.00 C ATOM 2543 C ASP C 320 2.756 32.822 -1.804 1.00 0.00 C ATOM 2544 O ASP C 320 1.892 33.397 -1.160 1.00 0.00 O ATOM 2545 CB ASP C 320 5.251 32.610 -1.753 1.00 0.00 C ATOM 2546 CG ASP C 320 5.480 34.114 -1.662 1.00 0.00 C ATOM 2547 OD1 ASP C 320 5.957 34.587 -0.618 1.00 0.00 O ATOM 2548 OD2 ASP C 320 5.224 34.837 -2.660 1.00 0.00 O1- ATOM 0 H ASP C 320 4.161 30.309 -2.094 1.00 0.00 H new ATOM 0 HA ASP C 320 3.947 32.428 -0.071 1.00 0.00 H new ATOM 0 HB2 ASP C 320 6.074 32.095 -1.258 1.00 0.00 H new ATOM 0 HB3 ASP C 320 5.272 32.310 -2.801 1.00 0.00 H new ATOM 2553 N GLY C 321 2.721 32.694 -3.104 1.00 0.00 N ATOM 2554 CA GLY C 321 1.630 33.212 -3.878 1.00 0.00 C ATOM 2555 C GLY C 321 1.905 33.031 -5.335 1.00 0.00 C ATOM 2556 O GLY C 321 1.733 33.942 -6.141 1.00 0.00 O ATOM 0 H GLY C 321 3.445 32.230 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY C 321 0.706 32.700 -3.608 1.00 0.00 H new ATOM 0 HA3 GLY C 321 1.485 34.269 -3.656 1.00 0.00 H new