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 73 ASN : amide:sc= -1.47 K(o=-1.8,f=-11!) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -139:sc= -0.373 (180deg=-2.61!) USER MOD Set 2.1: A 62 GLN : amide:sc= -0.0906 K(o=-2.2,f=-6.3) USER MOD Set 2.2: A 86 HIS : no HE2:sc= -2.11! C(o=-2.2!,f=-6.7!) USER MOD Set 3.1: A 43 SER OG : rot -99:sc= 0.519 USER MOD Set 3.2: A 52 GLN : amide:sc= -0.0787 K(o=0.44,f=-0.42) USER MOD Set 4.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 89 TYR OH : rot 175:sc= 0.504 USER MOD Single : A 10 ASN : amide:sc= 0.0248 K(o=0.025,f=-0.98) USER MOD Single : A 14 TYR OH : rot -32:sc= 0.916 USER MOD Single : A 17 ASN : amide:sc= 0.912 K(o=0.91,f=-1.1) USER MOD Single : A 19 ASN : amide:sc= -3.24! C(o=-3.2!,f=-9.5!) USER MOD Single : A 23 THR OG1 : rot -95:sc= 0.518 USER MOD Single : A 29 THR OG1 : rot 73:sc= 1.23 USER MOD Single : A 32 SER OG : rot -39:sc= 0.224 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.309 USER MOD Single : A 47 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 48 THR OG1 : rot -166:sc= 1.23 USER MOD Single : A 51 SER OG : rot 180:sc= -1.76! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 141:sc= 1.21 (180deg=0.84) USER MOD Single : A 59 TYR OH : rot -171:sc= 0.934 USER MOD Single : A 64 SER OG : rot -101:sc= 1.39 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.234 USER MOD Single : A 71 ASN : amide:sc= -0.346 K(o=-0.35,f=-0.85) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.0178 F(o=-1.1,f=-0.018) USER MOD Single : A 97 LYS NZ :NH3+ 163:sc= 1.27 (180deg=1.2) USER MOD Single : A 98 TYR OH : rot 12:sc= 1.77 USER MOD Single : A 99 TYR OH : rot 151:sc=-0.00136 USER MOD Single : A 103 LYS NZ :NH3+ 142:sc= 1.27 (180deg=0.555) USER MOD Single : B 209 MET CE :methyl -125:sc= -0.268 (180deg=-2.31!) USER MOD Single : B 213 SER OG : rot -2:sc= 0.242 USER MOD Single : B 215 SER OG : rot -82:sc= 1.2 USER MOD Single : C 317 SER OG : rot 160:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 128 N ASN A 10 4.089 4.030 -7.581 1.00 0.00 N ATOM 129 CA ASN A 10 5.227 4.863 -7.250 1.00 0.00 C ATOM 130 C ASN A 10 4.717 6.143 -6.603 1.00 0.00 C ATOM 131 O ASN A 10 4.209 7.035 -7.291 1.00 0.00 O ATOM 132 CB ASN A 10 6.071 5.205 -8.487 1.00 0.00 C ATOM 133 CG ASN A 10 6.803 4.030 -9.120 1.00 0.00 C ATOM 134 OD1 ASN A 10 7.121 3.048 -8.465 1.00 0.00 O ATOM 135 ND2 ASN A 10 7.128 4.154 -10.390 1.00 0.00 N ATOM 0 HA ASN A 10 5.871 4.312 -6.564 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.420 5.654 -9.238 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.805 5.961 -8.208 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.660 3.418 -10.854 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.848 4.986 -10.909 1.00 0.00 H new ATOM 142 N ALA A 11 4.809 6.207 -5.281 1.00 0.00 N ATOM 143 CA ALA A 11 4.282 7.339 -4.515 1.00 0.00 C ATOM 144 C ALA A 11 5.208 8.553 -4.535 1.00 0.00 C ATOM 145 O ALA A 11 4.791 9.663 -4.201 1.00 0.00 O ATOM 146 CB ALA A 11 3.967 6.919 -3.086 1.00 0.00 C ATOM 0 H ALA A 11 5.246 5.484 -4.709 1.00 0.00 H new ATOM 0 HA ALA A 11 3.358 7.647 -5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.577 7.774 -2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.222 6.123 -3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.876 6.559 -2.604 1.00 0.00 H new ATOM 152 N TYR A 12 6.460 8.345 -4.896 1.00 0.00 N ATOM 153 CA TYR A 12 7.389 9.445 -5.028 1.00 0.00 C ATOM 154 C TYR A 12 7.357 9.959 -6.435 1.00 0.00 C ATOM 155 O TYR A 12 7.104 9.210 -7.388 1.00 0.00 O ATOM 156 CB TYR A 12 8.836 9.059 -4.683 1.00 0.00 C ATOM 157 CG TYR A 12 9.271 9.267 -3.250 1.00 0.00 C ATOM 158 CD1 TYR A 12 9.626 10.538 -2.802 1.00 0.00 C ATOM 159 CD2 TYR A 12 9.383 8.208 -2.363 1.00 0.00 C ATOM 160 CE1 TYR A 12 10.070 10.747 -1.511 1.00 0.00 C ATOM 161 CE2 TYR A 12 9.839 8.408 -1.072 1.00 0.00 C ATOM 162 CZ TYR A 12 10.179 9.680 -0.650 1.00 0.00 C ATOM 163 OH TYR A 12 10.651 9.875 0.636 1.00 0.00 O ATOM 0 H TYR A 12 6.854 7.427 -5.102 1.00 0.00 H new ATOM 0 HA TYR A 12 7.072 10.208 -4.317 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.976 8.007 -4.932 1.00 0.00 H new ATOM 0 HB3 TYR A 12 9.504 9.631 -5.328 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.552 11.377 -3.478 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.111 7.213 -2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 12 10.330 11.742 -1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 12 9.929 7.572 -0.395 1.00 0.00 H new ATOM 0 HH TYR A 12 10.664 9.019 1.113 1.00 0.00 H new ATOM 173 N ILE A 13 7.577 11.205 -6.576 1.00 0.00 N ATOM 174 CA ILE A 13 7.660 11.780 -7.859 1.00 0.00 C ATOM 175 C ILE A 13 9.024 12.334 -8.121 1.00 0.00 C ATOM 176 O ILE A 13 9.633 12.981 -7.259 1.00 0.00 O ATOM 177 CB ILE A 13 6.564 12.828 -8.134 1.00 0.00 C ATOM 178 CG1 ILE A 13 6.509 13.901 -7.029 1.00 0.00 C ATOM 179 CG2 ILE A 13 5.230 12.139 -8.324 1.00 0.00 C ATOM 180 CD1 ILE A 13 5.436 14.953 -7.224 1.00 0.00 C ATOM 0 H ILE A 13 7.705 11.859 -5.804 1.00 0.00 H new ATOM 0 HA ILE A 13 7.480 10.968 -8.564 1.00 0.00 H new ATOM 0 HB ILE A 13 6.811 13.354 -9.056 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.346 13.408 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.479 14.396 -6.973 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.459 12.885 -8.518 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.292 11.453 -9.169 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.977 11.582 -7.422 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.471 15.666 -6.400 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.607 15.477 -8.164 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.457 14.474 -7.248 1.00 0.00 H new ATOM 192 N TYR A 14 9.509 12.011 -9.275 1.00 0.00 N ATOM 193 CA TYR A 14 10.747 12.476 -9.786 1.00 0.00 C ATOM 194 C TYR A 14 10.509 13.814 -10.403 1.00 0.00 C ATOM 195 O TYR A 14 9.649 13.954 -11.261 1.00 0.00 O ATOM 196 CB TYR A 14 11.279 11.493 -10.849 1.00 0.00 C ATOM 197 CG TYR A 14 12.349 12.071 -11.762 1.00 0.00 C ATOM 198 CD1 TYR A 14 13.659 12.213 -11.342 1.00 0.00 C ATOM 199 CD2 TYR A 14 12.023 12.481 -13.056 1.00 0.00 C ATOM 200 CE1 TYR A 14 14.615 12.748 -12.181 1.00 0.00 C ATOM 201 CE2 TYR A 14 12.969 13.014 -13.896 1.00 0.00 C ATOM 202 CZ TYR A 14 14.264 13.146 -13.458 1.00 0.00 C ATOM 203 OH TYR A 14 15.219 13.674 -14.298 1.00 0.00 O ATOM 0 H TYR A 14 9.024 11.383 -9.916 1.00 0.00 H new ATOM 0 HA TYR A 14 11.486 12.550 -8.988 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.685 10.616 -10.344 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.444 11.151 -11.460 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.937 11.902 -10.346 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.006 12.377 -13.403 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.635 12.856 -11.841 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.697 13.327 -14.893 1.00 0.00 H new ATOM 0 HH TYR A 14 15.890 14.155 -13.769 1.00 0.00 H new ATOM 213 N ILE A 15 11.220 14.775 -9.956 1.00 0.00 N ATOM 214 CA ILE A 15 11.121 16.087 -10.488 1.00 0.00 C ATOM 215 C ILE A 15 12.450 16.370 -11.164 1.00 0.00 C ATOM 216 O ILE A 15 13.509 16.161 -10.566 1.00 0.00 O ATOM 217 CB ILE A 15 10.880 17.126 -9.368 1.00 0.00 C ATOM 218 CG1 ILE A 15 9.835 16.600 -8.366 1.00 0.00 C ATOM 219 CG2 ILE A 15 10.386 18.443 -9.982 1.00 0.00 C ATOM 220 CD1 ILE A 15 9.702 17.435 -7.110 1.00 0.00 C ATOM 0 H ILE A 15 11.898 14.677 -9.200 1.00 0.00 H new ATOM 0 HA ILE A 15 10.283 16.157 -11.182 1.00 0.00 H new ATOM 0 HB ILE A 15 11.819 17.298 -8.841 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.865 16.553 -8.861 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.099 15.581 -8.085 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.217 19.173 -9.190 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.136 18.826 -10.674 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.453 18.267 -10.518 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.946 16.995 -6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.659 17.462 -6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.405 18.449 -7.377 1.00 0.00 H new ATOM 232 N GLY A 16 12.409 16.795 -12.383 1.00 0.00 N ATOM 233 CA GLY A 16 13.623 17.045 -13.109 1.00 0.00 C ATOM 234 C GLY A 16 13.571 18.338 -13.864 1.00 0.00 C ATOM 235 O GLY A 16 12.507 18.959 -13.955 1.00 0.00 O ATOM 0 H GLY A 16 11.551 16.978 -12.903 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.463 17.065 -12.415 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.804 16.226 -13.805 1.00 0.00 H new ATOM 239 N ASN A 17 14.721 18.732 -14.392 1.00 0.00 N ATOM 240 CA ASN A 17 14.923 19.957 -15.197 1.00 0.00 C ATOM 241 C ASN A 17 14.812 21.219 -14.330 1.00 0.00 C ATOM 242 O ASN A 17 14.478 22.302 -14.804 1.00 0.00 O ATOM 243 CB ASN A 17 13.954 20.037 -16.404 1.00 0.00 C ATOM 244 CG ASN A 17 14.377 21.102 -17.424 1.00 0.00 C ATOM 245 OD1 ASN A 17 15.561 21.349 -17.622 1.00 0.00 O ATOM 246 ND2 ASN A 17 13.428 21.773 -18.022 1.00 0.00 N ATOM 0 H ASN A 17 15.580 18.195 -14.274 1.00 0.00 H new ATOM 0 HA ASN A 17 15.935 19.901 -15.598 1.00 0.00 H new ATOM 0 HB2 ASN A 17 13.909 19.065 -16.895 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.949 20.260 -16.046 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.665 22.523 -18.672 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.450 21.547 -17.839 1.00 0.00 H new ATOM 253 N LEU A 18 15.141 21.093 -13.067 1.00 0.00 N ATOM 254 CA LEU A 18 15.120 22.252 -12.201 1.00 0.00 C ATOM 255 C LEU A 18 16.346 23.078 -12.463 1.00 0.00 C ATOM 256 O LEU A 18 17.378 22.555 -12.907 1.00 0.00 O ATOM 257 CB LEU A 18 15.052 21.912 -10.698 1.00 0.00 C ATOM 258 CG LEU A 18 13.781 21.241 -10.166 1.00 0.00 C ATOM 259 CD1 LEU A 18 13.710 19.786 -10.554 1.00 0.00 C ATOM 260 CD2 LEU A 18 13.686 21.401 -8.666 1.00 0.00 C ATOM 0 H LEU A 18 15.421 20.220 -12.621 1.00 0.00 H new ATOM 0 HA LEU A 18 14.207 22.799 -12.435 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.895 21.261 -10.465 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.199 22.837 -10.140 1.00 0.00 H new ATOM 0 HG LEU A 18 12.928 21.741 -10.626 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.794 19.348 -10.157 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.713 19.699 -11.640 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.571 19.258 -10.145 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.778 20.919 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.554 20.939 -8.195 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.658 22.461 -8.414 1.00 0.00 H new ATOM 272 N ASN A 19 16.233 24.349 -12.254 1.00 0.00 N ATOM 273 CA ASN A 19 17.346 25.242 -12.413 1.00 0.00 C ATOM 274 C ASN A 19 18.259 25.070 -11.206 1.00 0.00 C ATOM 275 O ASN A 19 17.848 24.484 -10.195 1.00 0.00 O ATOM 276 CB ASN A 19 16.907 26.721 -12.512 1.00 0.00 C ATOM 277 CG ASN A 19 15.768 27.021 -13.475 1.00 0.00 C ATOM 278 OD1 ASN A 19 14.839 26.247 -13.629 1.00 0.00 O ATOM 279 ND2 ASN A 19 15.845 28.136 -14.139 1.00 0.00 N ATOM 0 H ASN A 19 15.366 24.804 -11.967 1.00 0.00 H new ATOM 0 HA ASN A 19 17.856 24.996 -13.344 1.00 0.00 H new ATOM 0 HB2 ASN A 19 16.613 27.058 -11.518 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.771 27.316 -12.808 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.116 28.382 -14.809 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.634 28.765 -13.990 1.00 0.00 H new ATOM 286 N ARG A 20 19.456 25.607 -11.276 1.00 0.00 N ATOM 287 CA ARG A 20 20.442 25.427 -10.215 1.00 0.00 C ATOM 288 C ARG A 20 19.990 26.151 -8.941 1.00 0.00 C ATOM 289 O ARG A 20 20.147 25.651 -7.827 1.00 0.00 O ATOM 290 CB ARG A 20 21.799 25.983 -10.655 1.00 0.00 C ATOM 291 CG ARG A 20 22.933 25.648 -9.702 1.00 0.00 C ATOM 292 CD ARG A 20 23.384 24.208 -9.854 1.00 0.00 C ATOM 293 NE ARG A 20 24.023 23.970 -11.163 1.00 0.00 N ATOM 294 CZ ARG A 20 24.861 22.962 -11.435 1.00 0.00 C ATOM 295 NH1 ARG A 20 24.976 21.943 -10.593 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 25.520 22.939 -12.594 1.00 0.00 N ATOM 0 H ARG A 20 19.779 26.177 -12.058 1.00 0.00 H new ATOM 0 HA ARG A 20 20.535 24.360 -10.011 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.039 25.591 -11.644 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.724 27.066 -10.751 1.00 0.00 H new ATOM 0 HG2 ARG A 20 23.775 26.315 -9.889 1.00 0.00 H new ATOM 0 HG3 ARG A 20 22.610 25.822 -8.676 1.00 0.00 H new ATOM 0 HD2 ARG A 20 24.085 23.960 -9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.526 23.545 -9.742 1.00 0.00 H new ATOM 0 HE ARG A 20 23.810 24.623 -11.917 1.00 0.00 H new ATOM 0 HH11 ARG A 20 24.425 21.926 -9.735 1.00 0.00 H new ATOM 0 HH12 ARG A 20 25.616 21.177 -10.804 1.00 0.00 H new ATOM 0 HH21 ARG A 20 25.385 23.689 -13.272 1.00 0.00 H new ATOM 0 HH22 ARG A 20 26.159 22.172 -12.802 1.00 0.00 H new ATOM 310 N GLU A 21 19.401 27.303 -9.135 1.00 0.00 N ATOM 311 CA GLU A 21 18.955 28.164 -8.057 1.00 0.00 C ATOM 312 C GLU A 21 17.684 27.695 -7.363 1.00 0.00 C ATOM 313 O GLU A 21 17.342 28.217 -6.310 1.00 0.00 O ATOM 314 CB GLU A 21 18.865 29.663 -8.468 1.00 0.00 C ATOM 315 CG GLU A 21 18.405 29.954 -9.889 1.00 0.00 C ATOM 316 CD GLU A 21 19.458 29.627 -10.918 1.00 0.00 C ATOM 317 OE1 GLU A 21 20.411 30.420 -11.098 1.00 0.00 O ATOM 318 OE2 GLU A 21 19.372 28.566 -11.540 1.00 0.00 O1- ATOM 0 H GLU A 21 19.212 27.681 -10.063 1.00 0.00 H new ATOM 0 HA GLU A 21 19.746 28.082 -7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.184 30.164 -7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 21 19.848 30.114 -8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.504 29.378 -10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.136 31.007 -9.971 1.00 0.00 H new ATOM 325 N LEU A 22 17.020 26.697 -7.902 1.00 0.00 N ATOM 326 CA LEU A 22 15.817 26.188 -7.255 1.00 0.00 C ATOM 327 C LEU A 22 16.199 25.217 -6.153 1.00 0.00 C ATOM 328 O LEU A 22 16.887 24.212 -6.401 1.00 0.00 O ATOM 329 CB LEU A 22 14.870 25.527 -8.270 1.00 0.00 C ATOM 330 CG LEU A 22 14.310 26.463 -9.350 1.00 0.00 C ATOM 331 CD1 LEU A 22 13.484 25.712 -10.364 1.00 0.00 C ATOM 332 CD2 LEU A 22 13.462 27.539 -8.717 1.00 0.00 C ATOM 0 H LEU A 22 17.280 26.225 -8.768 1.00 0.00 H new ATOM 0 HA LEU A 22 15.280 27.028 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.401 24.711 -8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.035 25.084 -7.728 1.00 0.00 H new ATOM 0 HG LEU A 22 15.159 26.913 -9.864 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.105 26.408 -11.112 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.103 24.958 -10.851 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.647 25.226 -9.863 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.070 28.197 -9.493 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.633 27.079 -8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.069 28.119 -8.022 1.00 0.00 H new ATOM 344 N THR A 23 15.823 25.546 -4.948 1.00 0.00 N ATOM 345 CA THR A 23 16.116 24.702 -3.816 1.00 0.00 C ATOM 346 C THR A 23 14.801 24.085 -3.253 1.00 0.00 C ATOM 347 O THR A 23 13.724 24.281 -3.831 1.00 0.00 O ATOM 348 CB THR A 23 16.951 25.469 -2.732 1.00 0.00 C ATOM 349 OG1 THR A 23 17.498 24.570 -1.756 1.00 0.00 O ATOM 350 CG2 THR A 23 16.139 26.537 -2.042 1.00 0.00 C ATOM 0 H THR A 23 15.310 26.398 -4.721 1.00 0.00 H new ATOM 0 HA THR A 23 16.745 23.874 -4.143 1.00 0.00 H new ATOM 0 HB THR A 23 17.771 25.953 -3.263 1.00 0.00 H new ATOM 0 HG1 THR A 23 16.901 24.527 -0.980 1.00 0.00 H new ATOM 0 HG21 THR A 23 16.758 27.042 -1.300 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.791 27.262 -2.778 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.281 26.080 -1.549 1.00 0.00 H new ATOM 358 N GLU A 24 14.888 23.366 -2.119 1.00 0.00 N ATOM 359 CA GLU A 24 13.738 22.659 -1.515 1.00 0.00 C ATOM 360 C GLU A 24 12.557 23.603 -1.236 1.00 0.00 C ATOM 361 O GLU A 24 11.391 23.232 -1.410 1.00 0.00 O ATOM 362 CB GLU A 24 14.114 21.957 -0.192 1.00 0.00 C ATOM 363 CG GLU A 24 15.380 21.111 -0.227 1.00 0.00 C ATOM 364 CD GLU A 24 16.649 21.927 -0.012 1.00 0.00 C ATOM 365 OE1 GLU A 24 16.549 23.161 0.309 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 17.757 21.369 -0.156 1.00 0.00 O ATOM 0 H GLU A 24 15.756 23.257 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 24 13.442 21.913 -2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.229 22.717 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.282 21.320 0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.316 20.340 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.442 20.600 -1.188 1.00 0.00 H new ATOM 373 N GLY A 25 12.877 24.822 -0.825 1.00 0.00 N ATOM 374 CA GLY A 25 11.861 25.803 -0.486 1.00 0.00 C ATOM 375 C GLY A 25 11.031 26.214 -1.685 1.00 0.00 C ATOM 376 O GLY A 25 9.820 26.425 -1.563 1.00 0.00 O ATOM 0 H GLY A 25 13.836 25.154 -0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.206 25.393 0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.339 26.685 -0.059 1.00 0.00 H new ATOM 380 N ASP A 26 11.666 26.281 -2.853 1.00 0.00 N ATOM 381 CA ASP A 26 10.975 26.640 -4.107 1.00 0.00 C ATOM 382 C ASP A 26 9.955 25.612 -4.416 1.00 0.00 C ATOM 383 O ASP A 26 8.801 25.911 -4.750 1.00 0.00 O ATOM 384 CB ASP A 26 11.937 26.678 -5.282 1.00 0.00 C ATOM 385 CG ASP A 26 12.891 27.798 -5.212 1.00 0.00 C ATOM 386 OD1 ASP A 26 12.523 28.906 -5.649 1.00 0.00 O ATOM 387 OD2 ASP A 26 14.025 27.600 -4.733 1.00 0.00 O1- ATOM 0 H ASP A 26 12.662 26.092 -2.966 1.00 0.00 H new ATOM 0 HA ASP A 26 10.530 27.625 -3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.490 25.740 -5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.367 26.751 -6.208 1.00 0.00 H new ATOM 392 N ILE A 27 10.390 24.399 -4.262 1.00 0.00 N ATOM 393 CA ILE A 27 9.614 23.228 -4.518 1.00 0.00 C ATOM 394 C ILE A 27 8.394 23.191 -3.606 1.00 0.00 C ATOM 395 O ILE A 27 7.294 22.954 -4.064 1.00 0.00 O ATOM 396 CB ILE A 27 10.510 21.992 -4.343 1.00 0.00 C ATOM 397 CG1 ILE A 27 11.683 22.134 -5.305 1.00 0.00 C ATOM 398 CG2 ILE A 27 9.742 20.712 -4.630 1.00 0.00 C ATOM 399 CD1 ILE A 27 12.789 21.161 -5.089 1.00 0.00 C ATOM 0 H ILE A 27 11.336 24.191 -3.941 1.00 0.00 H new ATOM 0 HA ILE A 27 9.240 23.238 -5.542 1.00 0.00 H new ATOM 0 HB ILE A 27 10.861 21.931 -3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.314 22.023 -6.325 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.084 23.144 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.402 19.854 -4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.900 20.631 -3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.373 20.731 -5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.578 21.339 -5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.191 21.285 -4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.409 20.146 -5.206 1.00 0.00 H new ATOM 411 N LEU A 28 8.580 23.491 -2.339 1.00 0.00 N ATOM 412 CA LEU A 28 7.463 23.555 -1.411 1.00 0.00 C ATOM 413 C LEU A 28 6.510 24.671 -1.795 1.00 0.00 C ATOM 414 O LEU A 28 5.294 24.487 -1.789 1.00 0.00 O ATOM 415 CB LEU A 28 7.953 23.743 0.013 1.00 0.00 C ATOM 416 CG LEU A 28 8.730 22.574 0.597 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.258 22.928 1.961 1.00 0.00 C ATOM 418 CD2 LEU A 28 7.843 21.338 0.676 1.00 0.00 C ATOM 0 H LEU A 28 9.490 23.695 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 28 6.925 22.608 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.585 24.630 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.092 23.940 0.652 1.00 0.00 H new ATOM 0 HG LEU A 28 9.575 22.355 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.812 22.082 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.919 23.791 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.425 23.168 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.412 20.508 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.983 21.547 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.499 21.073 -0.324 1.00 0.00 H new ATOM 430 N THR A 29 7.071 25.798 -2.181 1.00 0.00 N ATOM 431 CA THR A 29 6.301 26.950 -2.585 1.00 0.00 C ATOM 432 C THR A 29 5.428 26.625 -3.818 1.00 0.00 C ATOM 433 O THR A 29 4.276 27.070 -3.916 1.00 0.00 O ATOM 434 CB THR A 29 7.232 28.155 -2.896 1.00 0.00 C ATOM 435 OG1 THR A 29 8.076 28.418 -1.767 1.00 0.00 O ATOM 436 CG2 THR A 29 6.428 29.416 -3.202 1.00 0.00 C ATOM 0 H THR A 29 8.080 25.939 -2.223 1.00 0.00 H new ATOM 0 HA THR A 29 5.646 27.219 -1.756 1.00 0.00 H new ATOM 0 HB THR A 29 7.829 27.895 -3.770 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.759 27.718 -1.699 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.110 30.239 -3.415 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.790 29.240 -4.068 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.809 29.671 -2.342 1.00 0.00 H new ATOM 444 N VAL A 30 5.969 25.887 -4.772 1.00 0.00 N ATOM 445 CA VAL A 30 5.193 25.527 -5.944 1.00 0.00 C ATOM 446 C VAL A 30 4.254 24.336 -5.707 1.00 0.00 C ATOM 447 O VAL A 30 3.081 24.400 -6.060 1.00 0.00 O ATOM 448 CB VAL A 30 6.029 25.376 -7.267 1.00 0.00 C ATOM 449 CG1 VAL A 30 6.702 26.683 -7.634 1.00 0.00 C ATOM 450 CG2 VAL A 30 7.060 24.276 -7.178 1.00 0.00 C ATOM 0 H VAL A 30 6.925 25.531 -4.760 1.00 0.00 H new ATOM 0 HA VAL A 30 4.559 26.397 -6.112 1.00 0.00 H new ATOM 0 HB VAL A 30 5.321 25.102 -8.050 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.274 26.552 -8.553 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.945 27.452 -7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.372 26.986 -6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.609 24.215 -8.118 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.754 24.493 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.562 23.325 -6.986 1.00 0.00 H new ATOM 460 N PHE A 31 4.749 23.304 -5.046 1.00 0.00 N ATOM 461 CA PHE A 31 3.993 22.072 -4.828 1.00 0.00 C ATOM 462 C PHE A 31 2.898 22.185 -3.764 1.00 0.00 C ATOM 463 O PHE A 31 1.946 21.422 -3.793 1.00 0.00 O ATOM 464 CB PHE A 31 4.921 20.871 -4.528 1.00 0.00 C ATOM 465 CG PHE A 31 5.638 20.303 -5.741 1.00 0.00 C ATOM 466 CD1 PHE A 31 6.694 20.967 -6.324 1.00 0.00 C ATOM 467 CD2 PHE A 31 5.244 19.096 -6.290 1.00 0.00 C ATOM 468 CE1 PHE A 31 7.342 20.453 -7.430 1.00 0.00 C ATOM 469 CE2 PHE A 31 5.891 18.573 -7.395 1.00 0.00 C ATOM 470 CZ PHE A 31 6.937 19.255 -7.965 1.00 0.00 C ATOM 0 H PHE A 31 5.686 23.291 -4.643 1.00 0.00 H new ATOM 0 HA PHE A 31 3.480 21.893 -5.773 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.666 21.179 -3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.330 20.079 -4.069 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.022 21.908 -5.908 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.420 18.554 -5.850 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.166 20.992 -7.873 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.573 17.628 -7.809 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.440 18.851 -8.831 1.00 0.00 H new ATOM 480 N SER A 32 2.993 23.143 -2.848 1.00 0.00 N ATOM 481 CA SER A 32 1.985 23.259 -1.787 1.00 0.00 C ATOM 482 C SER A 32 0.607 23.707 -2.342 1.00 0.00 C ATOM 483 O SER A 32 -0.393 23.685 -1.631 1.00 0.00 O ATOM 484 CB SER A 32 2.464 24.152 -0.622 1.00 0.00 C ATOM 485 OG SER A 32 1.606 24.024 0.518 1.00 0.00 O ATOM 0 H SER A 32 3.738 23.839 -2.813 1.00 0.00 H new ATOM 0 HA SER A 32 1.847 22.260 -1.374 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.482 23.878 -0.346 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.490 25.193 -0.945 1.00 0.00 H new ATOM 0 HG SER A 32 0.675 23.955 0.220 1.00 0.00 H new ATOM 491 N GLU A 33 0.587 24.093 -3.610 1.00 0.00 N ATOM 492 CA GLU A 33 -0.632 24.455 -4.349 1.00 0.00 C ATOM 493 C GLU A 33 -1.599 23.252 -4.398 1.00 0.00 C ATOM 494 O GLU A 33 -2.814 23.399 -4.317 1.00 0.00 O ATOM 495 CB GLU A 33 -0.206 24.804 -5.786 1.00 0.00 C ATOM 496 CG GLU A 33 -1.329 25.082 -6.797 1.00 0.00 C ATOM 497 CD GLU A 33 -1.970 26.438 -6.661 1.00 0.00 C ATOM 498 OE1 GLU A 33 -2.863 26.598 -5.826 1.00 0.00 O1- ATOM 499 OE2 GLU A 33 -1.595 27.369 -7.439 1.00 0.00 O ATOM 0 H GLU A 33 1.434 24.168 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.134 25.292 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.438 25.682 -5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.399 23.983 -6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.926 24.984 -7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.098 24.318 -6.686 1.00 0.00 H new ATOM 506 N TYR A 34 -1.032 22.061 -4.483 1.00 0.00 N ATOM 507 CA TYR A 34 -1.825 20.868 -4.706 1.00 0.00 C ATOM 508 C TYR A 34 -2.034 20.066 -3.441 1.00 0.00 C ATOM 509 O TYR A 34 -2.732 19.051 -3.462 1.00 0.00 O ATOM 510 CB TYR A 34 -1.177 20.013 -5.800 1.00 0.00 C ATOM 511 CG TYR A 34 -0.970 20.794 -7.074 1.00 0.00 C ATOM 512 CD1 TYR A 34 -2.011 20.993 -7.961 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.253 21.382 -7.358 1.00 0.00 C ATOM 514 CE1 TYR A 34 -1.840 21.744 -9.101 1.00 0.00 C ATOM 515 CE2 TYR A 34 0.428 22.140 -8.490 1.00 0.00 C ATOM 516 CZ TYR A 34 -0.621 22.319 -9.358 1.00 0.00 C ATOM 517 OH TYR A 34 -0.449 23.085 -10.490 1.00 0.00 O ATOM 0 H TYR A 34 -0.029 21.896 -4.401 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.815 21.184 -5.035 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.218 19.635 -5.446 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.805 19.146 -6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.975 20.552 -7.756 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.081 21.242 -6.679 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.661 21.880 -9.790 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.386 22.593 -8.697 1.00 0.00 H new ATOM 0 HH TYR A 34 0.472 23.419 -10.522 1.00 0.00 H new ATOM 527 N GLY A 35 -1.454 20.521 -2.347 1.00 0.00 N ATOM 528 CA GLY A 35 -1.601 19.819 -1.099 1.00 0.00 C ATOM 529 C GLY A 35 -0.431 20.049 -0.175 1.00 0.00 C ATOM 530 O GLY A 35 0.214 21.116 -0.222 1.00 0.00 O ATOM 0 H GLY A 35 -0.883 21.365 -2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.519 20.143 -0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.703 18.752 -1.294 1.00 0.00 H new ATOM 534 N VAL A 36 -0.149 19.072 0.658 1.00 0.00 N ATOM 535 CA VAL A 36 0.935 19.162 1.614 1.00 0.00 C ATOM 536 C VAL A 36 2.004 18.105 1.303 1.00 0.00 C ATOM 537 O VAL A 36 1.736 16.896 1.392 1.00 0.00 O ATOM 538 CB VAL A 36 0.437 18.965 3.082 1.00 0.00 C ATOM 539 CG1 VAL A 36 1.593 19.094 4.077 1.00 0.00 C ATOM 540 CG2 VAL A 36 -0.666 19.959 3.425 1.00 0.00 C ATOM 0 H VAL A 36 -0.664 18.192 0.693 1.00 0.00 H new ATOM 0 HA VAL A 36 1.358 20.163 1.526 1.00 0.00 H new ATOM 0 HB VAL A 36 0.028 17.957 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.218 18.953 5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.346 18.337 3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.039 20.085 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.993 19.799 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.286 20.975 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.509 19.815 2.749 1.00 0.00 H new ATOM 550 N PRO A 37 3.195 18.541 0.856 1.00 0.00 N ATOM 551 CA PRO A 37 4.342 17.653 0.649 1.00 0.00 C ATOM 552 C PRO A 37 4.859 17.135 1.988 1.00 0.00 C ATOM 553 O PRO A 37 5.263 17.919 2.845 1.00 0.00 O ATOM 554 CB PRO A 37 5.398 18.572 0.002 1.00 0.00 C ATOM 555 CG PRO A 37 4.628 19.742 -0.497 1.00 0.00 C ATOM 556 CD PRO A 37 3.516 19.926 0.481 1.00 0.00 C ATOM 0 HA PRO A 37 4.098 16.780 0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.155 18.876 0.725 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.919 18.065 -0.811 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.255 20.632 -0.552 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.243 19.561 -1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.826 20.519 1.342 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.662 20.435 0.034 1.00 0.00 H new ATOM 564 N VAL A 38 4.835 15.834 2.165 1.00 0.00 N ATOM 565 CA VAL A 38 5.256 15.240 3.428 1.00 0.00 C ATOM 566 C VAL A 38 6.718 14.837 3.371 1.00 0.00 C ATOM 567 O VAL A 38 7.388 14.688 4.399 1.00 0.00 O ATOM 568 CB VAL A 38 4.378 14.016 3.826 1.00 0.00 C ATOM 569 CG1 VAL A 38 2.932 14.421 3.980 1.00 0.00 C ATOM 570 CG2 VAL A 38 4.491 12.890 2.816 1.00 0.00 C ATOM 0 H VAL A 38 4.531 15.164 1.459 1.00 0.00 H new ATOM 0 HA VAL A 38 5.124 16.002 4.196 1.00 0.00 H new ATOM 0 HB VAL A 38 4.752 13.652 4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.338 13.550 4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.848 15.181 4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.565 14.825 3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.864 12.055 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.162 13.243 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.528 12.561 2.753 1.00 0.00 H new ATOM 580 N ASP A 39 7.193 14.666 2.165 1.00 0.00 N ATOM 581 CA ASP A 39 8.556 14.288 1.891 1.00 0.00 C ATOM 582 C ASP A 39 8.989 15.030 0.662 1.00 0.00 C ATOM 583 O ASP A 39 8.312 14.964 -0.368 1.00 0.00 O ATOM 584 CB ASP A 39 8.670 12.772 1.604 1.00 0.00 C ATOM 585 CG ASP A 39 8.529 11.843 2.796 1.00 0.00 C ATOM 586 OD1 ASP A 39 7.384 11.478 3.150 1.00 0.00 O ATOM 587 OD2 ASP A 39 9.551 11.411 3.359 1.00 0.00 O1- ATOM 0 H ASP A 39 6.629 14.789 1.324 1.00 0.00 H new ATOM 0 HA ASP A 39 9.176 14.524 2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.908 12.505 0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.638 12.585 1.139 1.00 0.00 H new ATOM 592 N VAL A 40 10.047 15.765 0.770 1.00 0.00 N ATOM 593 CA VAL A 40 10.628 16.454 -0.348 1.00 0.00 C ATOM 594 C VAL A 40 12.115 16.457 -0.155 1.00 0.00 C ATOM 595 O VAL A 40 12.584 16.559 0.963 1.00 0.00 O ATOM 596 CB VAL A 40 10.095 17.927 -0.542 1.00 0.00 C ATOM 597 CG1 VAL A 40 10.373 18.805 0.662 1.00 0.00 C ATOM 598 CG2 VAL A 40 10.682 18.564 -1.797 1.00 0.00 C ATOM 0 H VAL A 40 10.544 15.909 1.649 1.00 0.00 H new ATOM 0 HA VAL A 40 10.339 15.926 -1.257 1.00 0.00 H new ATOM 0 HB VAL A 40 9.013 17.851 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.987 19.808 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.884 18.383 1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.448 18.856 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.297 19.578 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.768 18.595 -1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.401 17.975 -2.670 1.00 0.00 H new ATOM 608 N ILE A 41 12.825 16.251 -1.208 1.00 0.00 N ATOM 609 CA ILE A 41 14.267 16.263 -1.198 1.00 0.00 C ATOM 610 C ILE A 41 14.765 16.741 -2.530 1.00 0.00 C ATOM 611 O ILE A 41 14.192 16.408 -3.571 1.00 0.00 O ATOM 612 CB ILE A 41 14.955 14.876 -0.860 1.00 0.00 C ATOM 613 CG1 ILE A 41 14.382 13.674 -1.663 1.00 0.00 C ATOM 614 CG2 ILE A 41 14.985 14.585 0.632 1.00 0.00 C ATOM 615 CD1 ILE A 41 12.984 13.218 -1.257 1.00 0.00 C ATOM 0 H ILE A 41 12.422 16.064 -2.126 1.00 0.00 H new ATOM 0 HA ILE A 41 14.545 16.936 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 41 15.987 14.994 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.365 13.941 -2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.065 12.831 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.467 13.623 0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.544 15.368 1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.966 14.555 1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.681 12.376 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.990 12.913 -0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.280 14.039 -1.391 1.00 0.00 H new ATOM 627 N LEU A 42 15.787 17.523 -2.506 1.00 0.00 N ATOM 628 CA LEU A 42 16.377 18.032 -3.702 1.00 0.00 C ATOM 629 C LEU A 42 17.651 17.215 -3.917 1.00 0.00 C ATOM 630 O LEU A 42 18.334 16.859 -2.948 1.00 0.00 O ATOM 631 CB LEU A 42 16.625 19.568 -3.513 1.00 0.00 C ATOM 632 CG LEU A 42 17.046 20.452 -4.723 1.00 0.00 C ATOM 633 CD1 LEU A 42 18.446 20.214 -5.140 1.00 0.00 C ATOM 634 CD2 LEU A 42 16.143 20.250 -5.895 1.00 0.00 C ATOM 0 H LEU A 42 16.244 17.833 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 42 15.750 17.936 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 42 15.709 19.995 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.395 19.679 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 42 16.962 21.483 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 42 18.687 20.856 -5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.116 20.440 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.567 19.170 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.469 20.884 -6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.177 19.206 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.122 20.513 -5.617 1.00 0.00 H new ATOM 646 N SER A 43 17.924 16.837 -5.138 1.00 0.00 N ATOM 647 CA SER A 43 19.088 16.042 -5.426 1.00 0.00 C ATOM 648 C SER A 43 20.304 16.938 -5.393 1.00 0.00 C ATOM 649 O SER A 43 20.579 17.690 -6.337 1.00 0.00 O ATOM 650 CB SER A 43 18.956 15.330 -6.785 1.00 0.00 C ATOM 651 OG SER A 43 20.000 14.376 -6.996 1.00 0.00 O ATOM 0 H SER A 43 17.354 17.068 -5.952 1.00 0.00 H new ATOM 0 HA SER A 43 19.191 15.262 -4.672 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.990 14.828 -6.838 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.975 16.070 -7.585 1.00 0.00 H new ATOM 0 HG SER A 43 20.693 14.770 -7.565 1.00 0.00 H new ATOM 657 N ARG A 44 20.961 16.927 -4.277 1.00 0.00 N ATOM 658 CA ARG A 44 22.137 17.708 -4.071 1.00 0.00 C ATOM 659 C ARG A 44 23.268 16.758 -3.847 1.00 0.00 C ATOM 660 O ARG A 44 23.051 15.622 -3.404 1.00 0.00 O ATOM 661 CB ARG A 44 21.968 18.603 -2.854 1.00 0.00 C ATOM 662 CG ARG A 44 20.724 19.441 -2.893 1.00 0.00 C ATOM 663 CD ARG A 44 20.526 20.299 -1.664 1.00 0.00 C ATOM 664 NE ARG A 44 21.444 21.430 -1.621 1.00 0.00 N ATOM 665 CZ ARG A 44 21.135 22.626 -1.138 1.00 0.00 C ATOM 666 NH1 ARG A 44 19.948 22.856 -0.596 1.00 0.00 N1+ ATOM 667 NH2 ARG A 44 22.007 23.614 -1.208 1.00 0.00 N ATOM 0 H ARG A 44 20.690 16.365 -3.470 1.00 0.00 H new ATOM 0 HA ARG A 44 22.328 18.345 -4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 44 21.951 17.983 -1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 44 22.835 19.258 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 44 20.758 20.085 -3.772 1.00 0.00 H new ATOM 0 HG3 ARG A 44 19.860 18.787 -3.011 1.00 0.00 H new ATOM 0 HD2 ARG A 44 19.500 20.667 -1.643 1.00 0.00 H new ATOM 0 HD3 ARG A 44 20.665 19.688 -0.772 1.00 0.00 H new ATOM 0 HE ARG A 44 22.386 21.293 -1.986 1.00 0.00 H new ATOM 0 HH11 ARG A 44 19.257 22.108 -0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 44 19.726 23.781 -0.229 1.00 0.00 H new ATOM 0 HH21 ARG A 44 22.921 23.459 -1.634 1.00 0.00 H new ATOM 0 HH22 ARG A 44 21.767 24.533 -0.836 1.00 0.00 H new ATOM 681 N ASP A 45 24.448 17.178 -4.160 1.00 0.00 N ATOM 682 CA ASP A 45 25.601 16.315 -4.017 1.00 0.00 C ATOM 683 C ASP A 45 26.171 16.418 -2.610 1.00 0.00 C ATOM 684 O ASP A 45 26.087 17.459 -1.997 1.00 0.00 O ATOM 685 CB ASP A 45 26.651 16.669 -5.038 1.00 0.00 C ATOM 686 CG ASP A 45 27.776 15.689 -5.013 1.00 0.00 C ATOM 687 OD1 ASP A 45 27.617 14.571 -5.539 1.00 0.00 O ATOM 688 OD2 ASP A 45 28.824 15.995 -4.431 1.00 0.00 O1- ATOM 0 H ASP A 45 24.652 18.111 -4.517 1.00 0.00 H new ATOM 0 HA ASP A 45 25.286 15.285 -4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.204 16.689 -6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 45 27.033 17.671 -4.840 1.00 0.00 H new ATOM 693 N GLU A 46 26.768 15.351 -2.122 1.00 0.00 N ATOM 694 CA GLU A 46 27.272 15.295 -0.755 1.00 0.00 C ATOM 695 C GLU A 46 28.630 16.008 -0.651 1.00 0.00 C ATOM 696 O GLU A 46 28.989 16.559 0.383 1.00 0.00 O ATOM 697 CB GLU A 46 27.401 13.811 -0.345 1.00 0.00 C ATOM 698 CG GLU A 46 27.221 13.495 1.149 1.00 0.00 C ATOM 699 CD GLU A 46 28.261 14.080 2.074 1.00 0.00 C ATOM 700 OE1 GLU A 46 29.385 13.523 2.169 1.00 0.00 O ATOM 701 OE2 GLU A 46 27.968 15.062 2.759 1.00 0.00 O1- ATOM 0 H GLU A 46 26.920 14.496 -2.657 1.00 0.00 H new ATOM 0 HA GLU A 46 26.581 15.805 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 46 26.664 13.236 -0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 46 28.384 13.456 -0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 46 26.241 13.854 1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 46 27.218 12.412 1.274 1.00 0.00 H new ATOM 708 N ASN A 47 29.336 16.075 -1.741 1.00 0.00 N ATOM 709 CA ASN A 47 30.717 16.546 -1.708 1.00 0.00 C ATOM 710 C ASN A 47 30.809 18.009 -2.044 1.00 0.00 C ATOM 711 O ASN A 47 31.684 18.721 -1.543 1.00 0.00 O ATOM 712 CB ASN A 47 31.597 15.718 -2.655 1.00 0.00 C ATOM 713 CG ASN A 47 31.615 14.228 -2.318 1.00 0.00 C ATOM 714 OD1 ASN A 47 31.508 13.886 -1.050 1.00 0.00 O flip ATOM 715 ND2 ASN A 47 31.731 13.383 -3.205 1.00 0.00 N flip ATOM 0 H ASN A 47 28.994 15.814 -2.666 1.00 0.00 H new ATOM 0 HA ASN A 47 31.085 16.415 -0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 47 31.240 15.848 -3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 47 32.616 16.103 -2.622 1.00 0.00 H new ATOM 0 HD21 ASN A 47 31.812 13.674 -4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 47 31.746 12.392 -2.966 1.00 0.00 H new ATOM 722 N THR A 48 29.932 18.464 -2.889 1.00 0.00 N ATOM 723 CA THR A 48 29.919 19.862 -3.268 1.00 0.00 C ATOM 724 C THR A 48 28.678 20.595 -2.722 1.00 0.00 C ATOM 725 O THR A 48 28.695 21.809 -2.532 1.00 0.00 O ATOM 726 CB THR A 48 30.113 20.048 -4.816 1.00 0.00 C ATOM 727 OG1 THR A 48 29.803 21.375 -5.249 1.00 0.00 O ATOM 728 CG2 THR A 48 29.341 19.018 -5.613 1.00 0.00 C ATOM 0 H THR A 48 29.212 17.894 -3.334 1.00 0.00 H new ATOM 0 HA THR A 48 30.779 20.337 -2.796 1.00 0.00 H new ATOM 0 HB THR A 48 31.173 19.887 -5.011 1.00 0.00 H new ATOM 0 HG1 THR A 48 29.722 21.390 -6.225 1.00 0.00 H new ATOM 0 HG21 THR A 48 29.504 19.185 -6.678 1.00 0.00 H new ATOM 0 HG22 THR A 48 29.684 18.019 -5.345 1.00 0.00 H new ATOM 0 HG23 THR A 48 28.278 19.108 -5.391 1.00 0.00 H new ATOM 736 N GLY A 49 27.611 19.844 -2.454 1.00 0.00 N ATOM 737 CA GLY A 49 26.393 20.416 -1.870 1.00 0.00 C ATOM 738 C GLY A 49 25.475 21.051 -2.884 1.00 0.00 C ATOM 739 O GLY A 49 24.315 21.380 -2.572 1.00 0.00 O ATOM 0 H GLY A 49 27.562 18.841 -2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 49 25.850 19.631 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 49 26.673 21.164 -1.128 1.00 0.00 H new ATOM 743 N GLU A 50 25.960 21.160 -4.102 1.00 0.00 N ATOM 744 CA GLU A 50 25.260 21.871 -5.155 1.00 0.00 C ATOM 745 C GLU A 50 24.038 21.115 -5.652 1.00 0.00 C ATOM 746 O GLU A 50 23.959 19.868 -5.546 1.00 0.00 O ATOM 747 CB GLU A 50 26.214 22.221 -6.313 1.00 0.00 C ATOM 748 CG GLU A 50 26.911 21.026 -6.929 1.00 0.00 C ATOM 749 CD GLU A 50 27.857 21.397 -8.039 1.00 0.00 C ATOM 750 OE1 GLU A 50 29.034 21.692 -7.758 1.00 0.00 O ATOM 751 OE2 GLU A 50 27.455 21.367 -9.213 1.00 0.00 O1- ATOM 0 H GLU A 50 26.852 20.758 -4.392 1.00 0.00 H new ATOM 0 HA GLU A 50 24.895 22.803 -4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.650 22.738 -7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 50 26.968 22.919 -5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.463 20.496 -6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 50 26.161 20.336 -7.315 1.00 0.00 H new ATOM 758 N SER A 51 23.084 21.876 -6.147 1.00 0.00 N ATOM 759 CA SER A 51 21.869 21.366 -6.718 1.00 0.00 C ATOM 760 C SER A 51 22.196 20.712 -8.050 1.00 0.00 C ATOM 761 O SER A 51 23.006 21.229 -8.830 1.00 0.00 O ATOM 762 CB SER A 51 20.864 22.525 -6.922 1.00 0.00 C ATOM 763 OG SER A 51 19.617 22.068 -7.445 1.00 0.00 O ATOM 0 H SER A 51 23.141 22.894 -6.160 1.00 0.00 H new ATOM 0 HA SER A 51 21.419 20.630 -6.051 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.695 23.029 -5.971 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.293 23.261 -7.601 1.00 0.00 H new ATOM 0 HG SER A 51 19.011 22.830 -7.557 1.00 0.00 H new ATOM 769 N GLN A 52 21.625 19.567 -8.279 1.00 0.00 N ATOM 770 CA GLN A 52 21.821 18.840 -9.525 1.00 0.00 C ATOM 771 C GLN A 52 20.690 19.097 -10.509 1.00 0.00 C ATOM 772 O GLN A 52 20.750 18.669 -11.665 1.00 0.00 O ATOM 773 CB GLN A 52 21.941 17.363 -9.238 1.00 0.00 C ATOM 774 CG GLN A 52 23.210 16.993 -8.510 1.00 0.00 C ATOM 775 CD GLN A 52 23.163 15.601 -7.960 1.00 0.00 C ATOM 776 OE1 GLN A 52 22.472 14.729 -8.483 1.00 0.00 O ATOM 777 NE2 GLN A 52 23.899 15.370 -6.920 1.00 0.00 N ATOM 0 H GLN A 52 21.008 19.100 -7.615 1.00 0.00 H new ATOM 0 HA GLN A 52 22.742 19.198 -9.985 1.00 0.00 H new ATOM 0 HB2 GLN A 52 21.084 17.046 -8.643 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.897 16.813 -10.178 1.00 0.00 H new ATOM 0 HG2 GLN A 52 24.057 17.084 -9.190 1.00 0.00 H new ATOM 0 HG3 GLN A 52 23.378 17.698 -7.696 1.00 0.00 H new ATOM 0 HE21 GLN A 52 24.459 16.120 -6.515 1.00 0.00 H new ATOM 0 HE22 GLN A 52 23.919 14.438 -6.506 1.00 0.00 H new ATOM 786 N GLY A 53 19.670 19.803 -10.053 1.00 0.00 N ATOM 787 CA GLY A 53 18.539 20.102 -10.912 1.00 0.00 C ATOM 788 C GLY A 53 17.490 18.995 -10.930 1.00 0.00 C ATOM 789 O GLY A 53 16.691 18.895 -11.872 1.00 0.00 O ATOM 0 H GLY A 53 19.602 20.175 -9.106 1.00 0.00 H new ATOM 0 HA2 GLY A 53 18.073 21.030 -10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 53 18.897 20.271 -11.928 1.00 0.00 H new ATOM 793 N PHE A 54 17.482 18.173 -9.894 1.00 0.00 N ATOM 794 CA PHE A 54 16.514 17.089 -9.770 1.00 0.00 C ATOM 795 C PHE A 54 15.976 17.116 -8.368 1.00 0.00 C ATOM 796 O PHE A 54 16.679 17.545 -7.462 1.00 0.00 O ATOM 797 CB PHE A 54 17.161 15.710 -9.988 1.00 0.00 C ATOM 798 CG PHE A 54 17.942 15.553 -11.250 1.00 0.00 C ATOM 799 CD1 PHE A 54 17.307 15.428 -12.465 1.00 0.00 C ATOM 800 CD2 PHE A 54 19.323 15.523 -11.211 1.00 0.00 C ATOM 801 CE1 PHE A 54 18.035 15.277 -13.621 1.00 0.00 C ATOM 802 CE2 PHE A 54 20.056 15.371 -12.360 1.00 0.00 C ATOM 803 CZ PHE A 54 19.413 15.247 -13.570 1.00 0.00 C ATOM 0 H PHE A 54 18.141 18.235 -9.118 1.00 0.00 H new ATOM 0 HA PHE A 54 15.740 17.233 -10.524 1.00 0.00 H new ATOM 0 HB2 PHE A 54 17.821 15.502 -9.146 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.376 14.954 -9.972 1.00 0.00 H new ATOM 0 HD1 PHE A 54 16.228 15.449 -12.510 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.832 15.621 -10.263 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.528 15.182 -14.570 1.00 0.00 H new ATOM 0 HE2 PHE A 54 21.135 15.349 -12.315 1.00 0.00 H new ATOM 0 HZ PHE A 54 19.986 15.126 -14.478 1.00 0.00 H new ATOM 813 N ALA A 55 14.779 16.657 -8.179 1.00 0.00 N ATOM 814 CA ALA A 55 14.176 16.593 -6.870 1.00 0.00 C ATOM 815 C ALA A 55 13.250 15.402 -6.802 1.00 0.00 C ATOM 816 O ALA A 55 12.964 14.779 -7.826 1.00 0.00 O ATOM 817 CB ALA A 55 13.427 17.876 -6.553 1.00 0.00 C ATOM 0 H ALA A 55 14.182 16.311 -8.930 1.00 0.00 H new ATOM 0 HA ALA A 55 14.962 16.478 -6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 55 12.982 17.802 -5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.120 18.717 -6.578 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.641 18.031 -7.292 1.00 0.00 H new ATOM 823 N TYR A 56 12.824 15.063 -5.616 1.00 0.00 N ATOM 824 CA TYR A 56 11.905 13.968 -5.396 1.00 0.00 C ATOM 825 C TYR A 56 10.930 14.439 -4.328 1.00 0.00 C ATOM 826 O TYR A 56 11.344 15.123 -3.385 1.00 0.00 O ATOM 827 CB TYR A 56 12.652 12.705 -4.896 1.00 0.00 C ATOM 828 CG TYR A 56 13.876 12.305 -5.714 1.00 0.00 C ATOM 829 CD1 TYR A 56 13.764 11.519 -6.858 1.00 0.00 C ATOM 830 CD2 TYR A 56 15.148 12.729 -5.335 1.00 0.00 C ATOM 831 CE1 TYR A 56 14.890 11.171 -7.596 1.00 0.00 C ATOM 832 CE2 TYR A 56 16.267 12.390 -6.063 1.00 0.00 C ATOM 833 CZ TYR A 56 16.138 11.614 -7.189 1.00 0.00 C ATOM 834 OH TYR A 56 17.268 11.276 -7.914 1.00 0.00 O ATOM 0 H TYR A 56 13.106 15.543 -4.761 1.00 0.00 H new ATOM 0 HA TYR A 56 11.399 13.700 -6.323 1.00 0.00 H new ATOM 0 HB2 TYR A 56 12.963 12.872 -3.865 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.953 11.869 -4.887 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.791 11.175 -7.176 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.259 13.338 -4.450 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.792 10.559 -8.481 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.242 12.733 -5.750 1.00 0.00 H new ATOM 0 HH TYR A 56 18.059 11.670 -7.490 1.00 0.00 H new ATOM 844 N LEU A 57 9.665 14.135 -4.470 1.00 0.00 N ATOM 845 CA LEU A 57 8.683 14.600 -3.504 1.00 0.00 C ATOM 846 C LEU A 57 7.526 13.605 -3.407 1.00 0.00 C ATOM 847 O LEU A 57 7.359 12.763 -4.280 1.00 0.00 O ATOM 848 CB LEU A 57 8.190 16.015 -3.953 1.00 0.00 C ATOM 849 CG LEU A 57 7.289 16.841 -3.001 1.00 0.00 C ATOM 850 CD1 LEU A 57 7.424 18.307 -3.321 1.00 0.00 C ATOM 851 CD2 LEU A 57 5.839 16.473 -3.180 1.00 0.00 C ATOM 0 H LEU A 57 9.287 13.574 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 57 9.126 14.674 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.073 16.616 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.649 15.891 -4.891 1.00 0.00 H new ATOM 0 HG LEU A 57 7.604 16.630 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.789 18.886 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.462 18.613 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.118 18.484 -4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.227 17.066 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.537 16.672 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.703 15.414 -2.960 1.00 0.00 H new ATOM 863 N LYS A 58 6.805 13.664 -2.309 1.00 0.00 N ATOM 864 CA LYS A 58 5.557 12.945 -2.130 1.00 0.00 C ATOM 865 C LYS A 58 4.670 13.692 -1.151 1.00 0.00 C ATOM 866 O LYS A 58 5.155 14.244 -0.150 1.00 0.00 O ATOM 867 CB LYS A 58 5.731 11.475 -1.705 1.00 0.00 C ATOM 868 CG LYS A 58 6.614 11.232 -0.517 1.00 0.00 C ATOM 869 CD LYS A 58 6.526 9.789 -0.070 1.00 0.00 C ATOM 870 CE LYS A 58 5.320 9.567 0.826 1.00 0.00 C ATOM 871 NZ LYS A 58 5.662 9.704 2.259 1.00 0.00 N1+ ATOM 0 H LYS A 58 7.072 14.223 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 58 5.080 12.904 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.746 11.061 -1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.134 10.918 -2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.646 11.477 -0.769 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.320 11.890 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.460 9.138 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.435 9.514 0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.540 10.284 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.911 8.573 0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.888 10.190 2.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.802 8.761 2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.537 10.258 2.356 1.00 0.00 H new ATOM 885 N TYR A 59 3.408 13.774 -1.475 1.00 0.00 N ATOM 886 CA TYR A 59 2.417 14.430 -0.627 1.00 0.00 C ATOM 887 C TYR A 59 1.825 13.452 0.370 1.00 0.00 C ATOM 888 O TYR A 59 2.175 12.259 0.367 1.00 0.00 O ATOM 889 CB TYR A 59 1.279 14.983 -1.459 1.00 0.00 C ATOM 890 CG TYR A 59 1.620 16.095 -2.411 1.00 0.00 C ATOM 891 CD1 TYR A 59 2.270 15.843 -3.599 1.00 0.00 C ATOM 892 CD2 TYR A 59 1.214 17.386 -2.149 1.00 0.00 C ATOM 893 CE1 TYR A 59 2.500 16.844 -4.505 1.00 0.00 C ATOM 894 CE2 TYR A 59 1.451 18.394 -3.040 1.00 0.00 C ATOM 895 CZ TYR A 59 2.090 18.118 -4.219 1.00 0.00 C ATOM 896 OH TYR A 59 2.282 19.114 -5.126 1.00 0.00 O ATOM 0 H TYR A 59 3.024 13.389 -2.338 1.00 0.00 H new ATOM 0 HA TYR A 59 2.930 15.237 -0.103 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.847 14.163 -2.033 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.504 15.340 -0.781 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.604 14.840 -3.820 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.700 17.604 -1.224 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.001 16.630 -5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.136 19.402 -2.816 1.00 0.00 H new ATOM 0 HH TYR A 59 2.067 19.977 -4.715 1.00 0.00 H new ATOM 906 N GLU A 60 0.925 13.962 1.219 1.00 0.00 N ATOM 907 CA GLU A 60 0.216 13.149 2.209 1.00 0.00 C ATOM 908 C GLU A 60 -0.619 12.076 1.505 1.00 0.00 C ATOM 909 O GLU A 60 -0.594 10.904 1.891 1.00 0.00 O ATOM 910 CB GLU A 60 -0.663 14.037 3.120 1.00 0.00 C ATOM 911 CG GLU A 60 -1.415 13.282 4.220 1.00 0.00 C ATOM 912 CD GLU A 60 -2.289 14.184 5.075 1.00 0.00 C ATOM 913 OE1 GLU A 60 -3.307 14.689 4.564 1.00 0.00 O ATOM 914 OE2 GLU A 60 -2.007 14.369 6.283 1.00 0.00 O1- ATOM 0 H GLU A 60 0.669 14.949 1.238 1.00 0.00 H new ATOM 0 HA GLU A 60 0.948 12.651 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.031 14.794 3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.388 14.564 2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.036 12.512 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.694 12.773 4.860 1.00 0.00 H new ATOM 921 N ASP A 61 -1.317 12.462 0.452 1.00 0.00 N ATOM 922 CA ASP A 61 -2.094 11.501 -0.315 1.00 0.00 C ATOM 923 C ASP A 61 -1.493 11.361 -1.697 1.00 0.00 C ATOM 924 O ASP A 61 -1.058 12.357 -2.290 1.00 0.00 O ATOM 925 CB ASP A 61 -3.568 11.901 -0.429 1.00 0.00 C ATOM 926 CG ASP A 61 -4.402 10.778 -1.020 1.00 0.00 C ATOM 927 OD1 ASP A 61 -4.532 10.683 -2.248 1.00 0.00 O ATOM 928 OD2 ASP A 61 -4.906 9.938 -0.254 1.00 0.00 O1- ATOM 0 H ASP A 61 -1.363 13.422 0.110 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.058 10.548 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.953 12.162 0.557 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.658 12.790 -1.053 1.00 0.00 H new ATOM 933 N GLN A 62 -1.493 10.148 -2.223 1.00 0.00 N ATOM 934 CA GLN A 62 -0.862 9.852 -3.503 1.00 0.00 C ATOM 935 C GLN A 62 -1.616 10.557 -4.665 1.00 0.00 C ATOM 936 O GLN A 62 -1.027 10.908 -5.661 1.00 0.00 O ATOM 937 CB GLN A 62 -0.750 8.315 -3.675 1.00 0.00 C ATOM 938 CG GLN A 62 0.410 7.798 -4.555 1.00 0.00 C ATOM 939 CD GLN A 62 0.233 7.977 -6.047 1.00 0.00 C ATOM 940 OE1 GLN A 62 0.642 8.958 -6.617 1.00 0.00 O ATOM 941 NE2 GLN A 62 -0.372 7.011 -6.680 1.00 0.00 N ATOM 0 H GLN A 62 -1.929 9.340 -1.778 1.00 0.00 H new ATOM 0 HA GLN A 62 0.151 10.253 -3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.652 7.868 -2.686 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.686 7.951 -4.098 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.325 8.307 -4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.552 6.737 -4.349 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.705 6.195 -6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.512 7.071 -7.689 1.00 0.00 H new ATOM 950 N ARG A 63 -2.905 10.858 -4.489 1.00 0.00 N ATOM 951 CA ARG A 63 -3.640 11.593 -5.530 1.00 0.00 C ATOM 952 C ARG A 63 -3.151 13.033 -5.652 1.00 0.00 C ATOM 953 O ARG A 63 -3.261 13.650 -6.703 1.00 0.00 O ATOM 954 CB ARG A 63 -5.158 11.575 -5.327 1.00 0.00 C ATOM 955 CG ARG A 63 -5.834 10.273 -5.699 1.00 0.00 C ATOM 956 CD ARG A 63 -7.345 10.416 -5.636 1.00 0.00 C ATOM 957 NE ARG A 63 -8.027 9.224 -6.134 1.00 0.00 N ATOM 958 CZ ARG A 63 -9.326 9.149 -6.452 1.00 0.00 C ATOM 959 NH1 ARG A 63 -10.134 10.192 -6.260 1.00 0.00 N1+ ATOM 960 NH2 ARG A 63 -9.817 8.018 -6.954 1.00 0.00 N ATOM 0 H ARG A 63 -3.451 10.615 -3.663 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.431 11.064 -6.460 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.373 11.793 -4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.599 12.378 -5.917 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.533 9.975 -6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.510 9.483 -5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.649 10.604 -4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.652 11.282 -6.223 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.468 8.379 -6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.765 11.058 -5.867 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.122 10.124 -6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.205 7.214 -7.095 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.805 7.955 -7.198 1.00 0.00 H new ATOM 974 N SER A 64 -2.549 13.533 -4.610 1.00 0.00 N ATOM 975 CA SER A 64 -2.081 14.895 -4.609 1.00 0.00 C ATOM 976 C SER A 64 -0.732 14.902 -5.325 1.00 0.00 C ATOM 977 O SER A 64 -0.385 15.830 -6.071 1.00 0.00 O ATOM 978 CB SER A 64 -1.998 15.398 -3.161 1.00 0.00 C ATOM 979 OG SER A 64 -1.538 16.716 -3.081 1.00 0.00 O ATOM 0 H SER A 64 -2.369 13.019 -3.748 1.00 0.00 H new ATOM 0 HA SER A 64 -2.757 15.572 -5.132 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.983 15.331 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.333 14.749 -2.591 1.00 0.00 H new ATOM 0 HG SER A 64 -0.590 16.717 -2.832 1.00 0.00 H new ATOM 985 N THR A 65 -0.027 13.813 -5.126 1.00 0.00 N ATOM 986 CA THR A 65 1.187 13.493 -5.802 1.00 0.00 C ATOM 987 C THR A 65 0.937 13.468 -7.339 1.00 0.00 C ATOM 988 O THR A 65 1.662 14.118 -8.116 1.00 0.00 O ATOM 989 CB THR A 65 1.653 12.119 -5.253 1.00 0.00 C ATOM 990 OG1 THR A 65 2.142 12.237 -3.895 1.00 0.00 O ATOM 991 CG2 THR A 65 2.660 11.442 -6.110 1.00 0.00 C ATOM 0 H THR A 65 -0.307 13.098 -4.454 1.00 0.00 H new ATOM 0 HA THR A 65 1.966 14.235 -5.628 1.00 0.00 H new ATOM 0 HB THR A 65 0.766 11.485 -5.262 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.428 11.357 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.937 10.488 -5.661 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.238 11.269 -7.100 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.545 12.072 -6.198 1.00 0.00 H new ATOM 999 N ILE A 66 -0.130 12.778 -7.743 1.00 0.00 N ATOM 1000 CA ILE A 66 -0.536 12.687 -9.147 1.00 0.00 C ATOM 1001 C ILE A 66 -0.864 14.078 -9.714 1.00 0.00 C ATOM 1002 O ILE A 66 -0.508 14.385 -10.856 1.00 0.00 O ATOM 1003 CB ILE A 66 -1.758 11.743 -9.309 1.00 0.00 C ATOM 1004 CG1 ILE A 66 -1.396 10.351 -8.794 1.00 0.00 C ATOM 1005 CG2 ILE A 66 -2.208 11.668 -10.772 1.00 0.00 C ATOM 1006 CD1 ILE A 66 -2.546 9.384 -8.756 1.00 0.00 C ATOM 0 H ILE A 66 -0.739 12.265 -7.105 1.00 0.00 H new ATOM 0 HA ILE A 66 0.301 12.272 -9.709 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.588 12.143 -8.726 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.610 9.937 -9.425 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.983 10.445 -7.790 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.065 11.000 -10.855 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.488 12.663 -11.118 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.391 11.288 -11.385 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.200 8.422 -8.378 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.326 9.772 -8.101 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.947 9.256 -9.761 1.00 0.00 H new ATOM 1018 N LEU A 67 -1.501 14.923 -8.893 1.00 0.00 N ATOM 1019 CA LEU A 67 -1.832 16.297 -9.302 1.00 0.00 C ATOM 1020 C LEU A 67 -0.596 17.052 -9.696 1.00 0.00 C ATOM 1021 O LEU A 67 -0.570 17.713 -10.721 1.00 0.00 O ATOM 1022 CB LEU A 67 -2.550 17.076 -8.195 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.942 16.607 -7.827 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -4.531 17.485 -6.735 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -4.831 16.604 -9.052 1.00 0.00 C ATOM 0 H LEU A 67 -1.797 14.683 -7.947 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.503 16.207 -10.156 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.931 17.042 -7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.612 18.121 -8.499 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.878 15.589 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.531 17.132 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.897 17.438 -5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.587 18.515 -7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.830 16.265 -8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.890 17.613 -9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.414 15.932 -9.802 1.00 0.00 H new ATOM 1037 N ALA A 68 0.433 16.927 -8.892 1.00 0.00 N ATOM 1038 CA ALA A 68 1.683 17.593 -9.156 1.00 0.00 C ATOM 1039 C ALA A 68 2.281 17.113 -10.468 1.00 0.00 C ATOM 1040 O ALA A 68 2.821 17.909 -11.236 1.00 0.00 O ATOM 1041 CB ALA A 68 2.641 17.365 -8.023 1.00 0.00 C ATOM 0 H ALA A 68 0.427 16.364 -8.042 1.00 0.00 H new ATOM 0 HA ALA A 68 1.494 18.663 -9.242 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.582 17.873 -8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.214 17.760 -7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.823 16.296 -7.910 1.00 0.00 H new ATOM 1047 N VAL A 69 2.142 15.819 -10.731 1.00 0.00 N ATOM 1048 CA VAL A 69 2.650 15.212 -11.956 1.00 0.00 C ATOM 1049 C VAL A 69 2.050 15.861 -13.195 1.00 0.00 C ATOM 1050 O VAL A 69 2.764 16.440 -14.012 1.00 0.00 O ATOM 1051 CB VAL A 69 2.373 13.685 -12.009 1.00 0.00 C ATOM 1052 CG1 VAL A 69 2.955 13.053 -13.274 1.00 0.00 C ATOM 1053 CG2 VAL A 69 2.927 13.010 -10.789 1.00 0.00 C ATOM 0 H VAL A 69 1.676 15.163 -10.104 1.00 0.00 H new ATOM 0 HA VAL A 69 3.727 15.377 -11.946 1.00 0.00 H new ATOM 0 HB VAL A 69 1.292 13.545 -12.032 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.742 11.984 -13.278 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.505 13.516 -14.152 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.034 13.208 -13.295 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.725 11.940 -10.841 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.004 13.174 -10.740 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.456 13.425 -9.898 1.00 0.00 H new ATOM 1063 N ASP A 70 0.748 15.802 -13.318 1.00 0.00 N ATOM 1064 CA ASP A 70 0.116 16.288 -14.531 1.00 0.00 C ATOM 1065 C ASP A 70 -0.157 17.774 -14.554 1.00 0.00 C ATOM 1066 O ASP A 70 -0.390 18.347 -15.620 1.00 0.00 O ATOM 1067 CB ASP A 70 -1.110 15.470 -14.951 1.00 0.00 C ATOM 1068 CG ASP A 70 -2.244 15.383 -13.936 1.00 0.00 C ATOM 1069 OD1 ASP A 70 -2.990 16.356 -13.777 1.00 0.00 O1- ATOM 1070 OD2 ASP A 70 -2.449 14.289 -13.361 1.00 0.00 O ATOM 0 H ASP A 70 0.111 15.432 -12.613 1.00 0.00 H new ATOM 0 HA ASP A 70 0.878 16.128 -15.294 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.507 15.897 -15.872 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.782 14.457 -15.185 1.00 0.00 H new ATOM 1075 N ASN A 71 -0.092 18.420 -13.424 1.00 0.00 N ATOM 1076 CA ASN A 71 -0.345 19.851 -13.405 1.00 0.00 C ATOM 1077 C ASN A 71 0.919 20.658 -13.488 1.00 0.00 C ATOM 1078 O ASN A 71 0.941 21.713 -14.121 1.00 0.00 O ATOM 1079 CB ASN A 71 -1.170 20.317 -12.210 1.00 0.00 C ATOM 1080 CG ASN A 71 -2.670 20.077 -12.313 1.00 0.00 C ATOM 1081 OD1 ASN A 71 -3.441 20.875 -11.817 1.00 0.00 O ATOM 1082 ND2 ASN A 71 -3.099 18.984 -12.888 1.00 0.00 N ATOM 0 H ASN A 71 0.127 18.001 -12.520 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.940 20.029 -14.301 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.800 19.813 -11.317 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.000 21.384 -12.068 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.099 18.787 -12.927 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.434 18.328 -13.298 1.00 0.00 H new ATOM 1089 N LEU A 72 1.981 20.185 -12.875 1.00 0.00 N ATOM 1090 CA LEU A 72 3.210 20.947 -12.873 1.00 0.00 C ATOM 1091 C LEU A 72 4.135 20.600 -14.008 1.00 0.00 C ATOM 1092 O LEU A 72 5.002 21.394 -14.340 1.00 0.00 O ATOM 1093 CB LEU A 72 3.933 20.898 -11.527 1.00 0.00 C ATOM 1094 CG LEU A 72 3.268 21.656 -10.383 1.00 0.00 C ATOM 1095 CD1 LEU A 72 4.033 21.447 -9.093 1.00 0.00 C ATOM 1096 CD2 LEU A 72 3.188 23.144 -10.705 1.00 0.00 C ATOM 0 H LEU A 72 2.020 19.294 -12.380 1.00 0.00 H new ATOM 0 HA LEU A 72 2.899 21.979 -13.036 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.039 19.854 -11.232 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.939 21.295 -11.663 1.00 0.00 H new ATOM 0 HG LEU A 72 2.257 21.268 -10.258 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.544 21.995 -8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.052 20.385 -8.850 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.054 21.811 -9.212 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.711 23.670 -9.878 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.193 23.539 -10.854 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.603 23.289 -11.613 1.00 0.00 H new ATOM 1108 N ASN A 73 3.977 19.437 -14.616 1.00 0.00 N ATOM 1109 CA ASN A 73 4.845 19.092 -15.744 1.00 0.00 C ATOM 1110 C ASN A 73 4.574 20.039 -16.889 1.00 0.00 C ATOM 1111 O ASN A 73 3.461 20.074 -17.437 1.00 0.00 O ATOM 1112 CB ASN A 73 4.670 17.641 -16.210 1.00 0.00 C ATOM 1113 CG ASN A 73 5.596 17.278 -17.373 1.00 0.00 C ATOM 1114 OD1 ASN A 73 6.715 16.786 -17.171 1.00 0.00 O ATOM 1115 ND2 ASN A 73 5.155 17.529 -18.587 1.00 0.00 N ATOM 0 H ASN A 73 3.283 18.733 -14.365 1.00 0.00 H new ATOM 0 HA ASN A 73 5.876 19.189 -15.405 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.864 16.969 -15.374 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.635 17.483 -16.512 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.740 17.318 -19.396 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.229 17.935 -18.719 1.00 0.00 H new ATOM 1122 N GLY A 74 5.556 20.829 -17.209 1.00 0.00 N ATOM 1123 CA GLY A 74 5.412 21.786 -18.260 1.00 0.00 C ATOM 1124 C GLY A 74 5.325 23.190 -17.715 1.00 0.00 C ATOM 1125 O GLY A 74 5.379 24.154 -18.473 1.00 0.00 O ATOM 0 H GLY A 74 6.469 20.827 -16.753 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.259 21.710 -18.942 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.516 21.562 -18.838 1.00 0.00 H new ATOM 1129 N PHE A 75 5.200 23.313 -16.393 1.00 0.00 N ATOM 1130 CA PHE A 75 5.128 24.615 -15.754 1.00 0.00 C ATOM 1131 C PHE A 75 6.495 25.269 -15.842 1.00 0.00 C ATOM 1132 O PHE A 75 7.521 24.639 -15.554 1.00 0.00 O ATOM 1133 CB PHE A 75 4.645 24.495 -14.293 1.00 0.00 C ATOM 1134 CG PHE A 75 4.389 25.809 -13.596 1.00 0.00 C ATOM 1135 CD1 PHE A 75 3.264 26.561 -13.899 1.00 0.00 C ATOM 1136 CD2 PHE A 75 5.261 26.280 -12.631 1.00 0.00 C ATOM 1137 CE1 PHE A 75 3.016 27.758 -13.253 1.00 0.00 C ATOM 1138 CE2 PHE A 75 5.021 27.477 -11.982 1.00 0.00 C ATOM 1139 CZ PHE A 75 3.897 28.217 -12.294 1.00 0.00 C ATOM 0 H PHE A 75 5.147 22.523 -15.749 1.00 0.00 H new ATOM 0 HA PHE A 75 4.397 25.239 -16.269 1.00 0.00 H new ATOM 0 HB2 PHE A 75 3.727 23.907 -14.277 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.390 23.938 -13.724 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.573 26.207 -14.649 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.141 25.705 -12.381 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.135 28.333 -13.498 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.712 27.833 -11.232 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.708 29.153 -11.789 1.00 0.00 H new ATOM 1149 N LYS A 76 6.506 26.493 -16.272 1.00 0.00 N ATOM 1150 CA LYS A 76 7.722 27.199 -16.542 1.00 0.00 C ATOM 1151 C LYS A 76 8.191 27.944 -15.305 1.00 0.00 C ATOM 1152 O LYS A 76 7.424 28.694 -14.712 1.00 0.00 O ATOM 1153 CB LYS A 76 7.459 28.188 -17.682 1.00 0.00 C ATOM 1154 CG LYS A 76 8.696 28.842 -18.290 1.00 0.00 C ATOM 1155 CD LYS A 76 9.618 27.814 -18.937 1.00 0.00 C ATOM 1156 CE LYS A 76 8.931 26.986 -20.025 1.00 0.00 C ATOM 1157 NZ LYS A 76 8.456 27.795 -21.171 1.00 0.00 N1+ ATOM 0 H LYS A 76 5.661 27.037 -16.448 1.00 0.00 H new ATOM 0 HA LYS A 76 8.503 26.494 -16.826 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.920 27.667 -18.473 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.800 28.974 -17.312 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.390 29.576 -19.035 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.240 29.382 -17.515 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.477 28.327 -19.369 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.001 27.144 -18.167 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.626 26.229 -20.388 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.084 26.457 -19.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.001 27.173 -21.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.769 28.501 -20.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.263 28.280 -21.612 1.00 0.00 H new ATOM 1171 N ILE A 77 9.414 27.703 -14.905 1.00 0.00 N ATOM 1172 CA ILE A 77 10.030 28.422 -13.815 1.00 0.00 C ATOM 1173 C ILE A 77 11.426 28.832 -14.242 1.00 0.00 C ATOM 1174 O ILE A 77 12.290 27.980 -14.454 1.00 0.00 O ATOM 1175 CB ILE A 77 10.132 27.585 -12.499 1.00 0.00 C ATOM 1176 CG1 ILE A 77 8.746 27.107 -12.050 1.00 0.00 C ATOM 1177 CG2 ILE A 77 10.787 28.424 -11.391 1.00 0.00 C ATOM 1178 CD1 ILE A 77 8.753 26.276 -10.786 1.00 0.00 C ATOM 0 H ILE A 77 10.016 26.997 -15.329 1.00 0.00 H new ATOM 0 HA ILE A 77 9.399 29.283 -13.595 1.00 0.00 H new ATOM 0 HB ILE A 77 10.750 26.709 -12.695 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.107 27.977 -11.896 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.299 26.522 -12.853 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.854 27.832 -10.478 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.788 28.722 -11.704 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.185 29.313 -11.204 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.733 25.980 -10.540 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.363 25.386 -10.939 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.168 26.863 -9.967 1.00 0.00 H new ATOM 1190 N GLY A 78 11.610 30.114 -14.455 1.00 0.00 N ATOM 1191 CA GLY A 78 12.910 30.657 -14.789 1.00 0.00 C ATOM 1192 C GLY A 78 13.455 30.118 -16.092 1.00 0.00 C ATOM 1193 O GLY A 78 14.646 29.847 -16.208 1.00 0.00 O ATOM 0 H GLY A 78 10.866 30.810 -14.402 1.00 0.00 H new ATOM 0 HA2 GLY A 78 12.839 31.743 -14.852 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.611 30.429 -13.986 1.00 0.00 H new ATOM 1197 N GLY A 79 12.584 29.923 -17.053 1.00 0.00 N ATOM 1198 CA GLY A 79 13.009 29.451 -18.350 1.00 0.00 C ATOM 1199 C GLY A 79 12.979 27.946 -18.497 1.00 0.00 C ATOM 1200 O GLY A 79 12.991 27.430 -19.616 1.00 0.00 O ATOM 0 H GLY A 79 11.581 30.083 -16.963 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.369 29.893 -19.114 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.023 29.804 -18.540 1.00 0.00 H new ATOM 1204 N ARG A 80 12.922 27.234 -17.401 1.00 0.00 N ATOM 1205 CA ARG A 80 12.904 25.791 -17.464 1.00 0.00 C ATOM 1206 C ARG A 80 11.541 25.264 -17.098 1.00 0.00 C ATOM 1207 O ARG A 80 10.899 25.767 -16.178 1.00 0.00 O ATOM 1208 CB ARG A 80 13.970 25.171 -16.554 1.00 0.00 C ATOM 1209 CG ARG A 80 15.399 25.504 -16.947 1.00 0.00 C ATOM 1210 CD ARG A 80 16.403 24.861 -16.004 1.00 0.00 C ATOM 1211 NE ARG A 80 17.782 25.029 -16.479 1.00 0.00 N ATOM 1212 CZ ARG A 80 18.804 24.216 -16.190 1.00 0.00 C ATOM 1213 NH1 ARG A 80 18.670 23.260 -15.279 1.00 0.00 N1+ ATOM 1214 NH2 ARG A 80 19.979 24.396 -16.782 1.00 0.00 N ATOM 0 H ARG A 80 12.887 27.624 -16.459 1.00 0.00 H new ATOM 0 HA ARG A 80 13.133 25.506 -18.491 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.799 25.508 -15.532 1.00 0.00 H new ATOM 0 HB3 ARG A 80 13.848 24.088 -16.557 1.00 0.00 H new ATOM 0 HG2 ARG A 80 15.586 25.163 -17.965 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.536 26.585 -16.943 1.00 0.00 H new ATOM 0 HD2 ARG A 80 16.304 25.302 -15.012 1.00 0.00 H new ATOM 0 HD3 ARG A 80 16.180 23.799 -15.905 1.00 0.00 H new ATOM 0 HE ARG A 80 17.977 25.831 -17.078 1.00 0.00 H new ATOM 0 HH11 ARG A 80 17.782 23.140 -14.792 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.455 22.645 -15.066 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.100 25.153 -17.455 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.760 23.778 -16.564 1.00 0.00 H new ATOM 1228 N ALA A 81 11.070 24.313 -17.853 1.00 0.00 N ATOM 1229 CA ALA A 81 9.836 23.655 -17.540 1.00 0.00 C ATOM 1230 C ALA A 81 10.157 22.344 -16.892 1.00 0.00 C ATOM 1231 O ALA A 81 10.714 21.428 -17.536 1.00 0.00 O ATOM 1232 CB ALA A 81 8.990 23.446 -18.765 1.00 0.00 C ATOM 0 H ALA A 81 11.529 23.974 -18.699 1.00 0.00 H new ATOM 0 HA ALA A 81 9.257 24.282 -16.862 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.063 22.944 -18.486 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.759 24.411 -19.216 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.534 22.831 -19.482 1.00 0.00 H new ATOM 1238 N LEU A 82 9.856 22.256 -15.642 1.00 0.00 N ATOM 1239 CA LEU A 82 10.171 21.099 -14.868 1.00 0.00 C ATOM 1240 C LEU A 82 9.348 19.865 -15.239 1.00 0.00 C ATOM 1241 O LEU A 82 8.215 19.960 -15.755 1.00 0.00 O ATOM 1242 CB LEU A 82 10.211 21.418 -13.360 1.00 0.00 C ATOM 1243 CG LEU A 82 9.083 22.292 -12.787 1.00 0.00 C ATOM 1244 CD1 LEU A 82 7.759 21.572 -12.773 1.00 0.00 C ATOM 1245 CD2 LEU A 82 9.445 22.772 -11.398 1.00 0.00 C ATOM 0 H LEU A 82 9.379 22.992 -15.121 1.00 0.00 H new ATOM 0 HA LEU A 82 11.187 20.807 -15.135 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.213 20.473 -12.817 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.159 21.911 -13.146 1.00 0.00 H new ATOM 0 HG LEU A 82 8.971 23.155 -13.443 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.993 22.228 -12.360 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.487 21.291 -13.790 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.839 20.675 -12.158 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.638 23.390 -11.005 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.597 21.913 -10.744 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.362 23.360 -11.444 1.00 0.00 H new ATOM 1257 N LYS A 83 9.962 18.742 -15.031 1.00 0.00 N ATOM 1258 CA LYS A 83 9.437 17.432 -15.346 1.00 0.00 C ATOM 1259 C LYS A 83 9.027 16.732 -14.077 1.00 0.00 C ATOM 1260 O LYS A 83 9.731 16.827 -13.085 1.00 0.00 O ATOM 1261 CB LYS A 83 10.571 16.628 -16.021 1.00 0.00 C ATOM 1262 CG LYS A 83 10.342 15.121 -16.186 1.00 0.00 C ATOM 1263 CD LYS A 83 9.172 14.733 -17.104 1.00 0.00 C ATOM 1264 CE LYS A 83 9.393 15.108 -18.572 1.00 0.00 C ATOM 1265 NZ LYS A 83 9.188 16.551 -18.865 1.00 0.00 N1+ ATOM 0 H LYS A 83 10.893 18.703 -14.615 1.00 0.00 H new ATOM 0 HA LYS A 83 8.570 17.515 -16.002 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.750 17.055 -17.008 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.482 16.772 -15.441 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.255 14.672 -16.578 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.170 14.686 -15.201 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.007 13.658 -17.033 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.264 15.219 -16.746 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.407 14.830 -18.859 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.715 14.522 -19.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.681 16.653 -19.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.629 16.984 -18.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.111 17.026 -18.930 1.00 0.00 H new ATOM 1279 N ILE A 84 7.897 16.057 -14.100 1.00 0.00 N ATOM 1280 CA ILE A 84 7.494 15.241 -12.977 1.00 0.00 C ATOM 1281 C ILE A 84 7.106 13.862 -13.500 1.00 0.00 C ATOM 1282 O ILE A 84 6.333 13.746 -14.456 1.00 0.00 O ATOM 1283 CB ILE A 84 6.306 15.804 -12.111 1.00 0.00 C ATOM 1284 CG1 ILE A 84 6.554 17.212 -11.567 1.00 0.00 C ATOM 1285 CG2 ILE A 84 6.039 14.888 -10.943 1.00 0.00 C ATOM 1286 CD1 ILE A 84 6.279 18.305 -12.544 1.00 0.00 C ATOM 0 H ILE A 84 7.243 16.058 -14.883 1.00 0.00 H new ATOM 0 HA ILE A 84 8.353 15.220 -12.307 1.00 0.00 H new ATOM 0 HB ILE A 84 5.449 15.856 -12.783 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.931 17.363 -10.686 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.591 17.285 -11.240 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.216 15.286 -10.350 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.775 13.896 -11.311 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.933 14.819 -10.323 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.480 19.269 -12.077 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.921 18.183 -13.417 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.235 18.262 -12.853 1.00 0.00 H new ATOM 1298 N ASP A 85 7.667 12.848 -12.905 1.00 0.00 N ATOM 1299 CA ASP A 85 7.405 11.463 -13.265 1.00 0.00 C ATOM 1300 C ASP A 85 7.227 10.677 -11.979 1.00 0.00 C ATOM 1301 O ASP A 85 7.575 11.163 -10.930 1.00 0.00 O ATOM 1302 CB ASP A 85 8.589 10.914 -14.083 1.00 0.00 C ATOM 1303 CG ASP A 85 8.416 9.487 -14.550 1.00 0.00 C ATOM 1304 OD1 ASP A 85 7.290 9.070 -14.830 1.00 0.00 O ATOM 1305 OD2 ASP A 85 9.440 8.774 -14.683 1.00 0.00 O1- ATOM 0 H ASP A 85 8.334 12.951 -12.140 1.00 0.00 H new ATOM 0 HA ASP A 85 6.505 11.379 -13.875 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.741 11.553 -14.953 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.494 10.979 -13.478 1.00 0.00 H new ATOM 1310 N HIS A 86 6.703 9.496 -12.045 1.00 0.00 N ATOM 1311 CA HIS A 86 6.498 8.691 -10.842 1.00 0.00 C ATOM 1312 C HIS A 86 7.642 7.705 -10.660 1.00 0.00 C ATOM 1313 O HIS A 86 7.937 6.923 -11.564 1.00 0.00 O ATOM 1314 CB HIS A 86 5.184 7.924 -10.909 1.00 0.00 C ATOM 1315 CG HIS A 86 3.939 8.712 -10.656 1.00 0.00 C ATOM 1316 ND1 HIS A 86 3.319 8.783 -9.425 1.00 0.00 N ATOM 1317 CD2 HIS A 86 3.158 9.411 -11.505 1.00 0.00 C ATOM 1318 CE1 HIS A 86 2.207 9.497 -9.560 1.00 0.00 C ATOM 1319 NE2 HIS A 86 2.056 9.904 -10.811 1.00 0.00 N ATOM 0 H HIS A 86 6.402 9.050 -12.912 1.00 0.00 H new ATOM 0 HA HIS A 86 6.465 9.374 -9.993 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.105 7.468 -11.896 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.226 7.111 -10.185 1.00 0.00 H new ATOM 0 HD1 HIS A 86 3.657 8.360 -8.560 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.356 9.564 -12.556 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.519 9.716 -8.757 1.00 0.00 H new ATOM 1327 N THR A 87 8.251 7.700 -9.498 1.00 0.00 N ATOM 1328 CA THR A 87 9.377 6.829 -9.227 1.00 0.00 C ATOM 1329 C THR A 87 9.327 6.383 -7.751 1.00 0.00 C ATOM 1330 O THR A 87 8.609 6.966 -6.954 1.00 0.00 O ATOM 1331 CB THR A 87 10.736 7.532 -9.556 1.00 0.00 C ATOM 1332 OG1 THR A 87 11.814 6.580 -9.523 1.00 0.00 O ATOM 1333 CG2 THR A 87 11.035 8.659 -8.562 1.00 0.00 C ATOM 0 H THR A 87 7.984 8.296 -8.715 1.00 0.00 H new ATOM 0 HA THR A 87 9.309 5.952 -9.871 1.00 0.00 H new ATOM 0 HB THR A 87 10.650 7.958 -10.556 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.657 7.033 -9.732 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.986 9.127 -8.818 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.240 9.404 -8.606 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.092 8.249 -7.554 1.00 0.00 H new ATOM 1341 N PHE A 88 10.012 5.331 -7.409 1.00 0.00 N ATOM 1342 CA PHE A 88 10.031 4.871 -6.049 1.00 0.00 C ATOM 1343 C PHE A 88 11.445 4.463 -5.687 1.00 0.00 C ATOM 1344 O PHE A 88 11.931 3.425 -6.125 1.00 0.00 O ATOM 1345 CB PHE A 88 9.045 3.706 -5.856 1.00 0.00 C ATOM 1346 CG PHE A 88 8.848 3.285 -4.425 1.00 0.00 C ATOM 1347 CD1 PHE A 88 7.985 3.989 -3.602 1.00 0.00 C ATOM 1348 CD2 PHE A 88 9.510 2.182 -3.907 1.00 0.00 C ATOM 1349 CE1 PHE A 88 7.788 3.605 -2.291 1.00 0.00 C ATOM 1350 CE2 PHE A 88 9.317 1.795 -2.595 1.00 0.00 C ATOM 1351 CZ PHE A 88 8.454 2.507 -1.786 1.00 0.00 C ATOM 0 H PHE A 88 10.568 4.772 -8.056 1.00 0.00 H new ATOM 0 HA PHE A 88 9.713 5.675 -5.385 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.079 3.991 -6.274 1.00 0.00 H new ATOM 0 HB3 PHE A 88 9.399 2.848 -6.428 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.460 4.849 -3.991 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.184 1.619 -4.536 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.113 4.164 -1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.841 0.936 -2.202 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.301 2.205 -0.760 1.00 0.00 H new ATOM 1361 N TYR A 89 12.115 5.301 -4.942 1.00 0.00 N ATOM 1362 CA TYR A 89 13.469 5.017 -4.512 1.00 0.00 C ATOM 1363 C TYR A 89 13.419 4.718 -3.022 1.00 0.00 C ATOM 1364 O TYR A 89 12.465 5.134 -2.342 1.00 0.00 O ATOM 1365 CB TYR A 89 14.407 6.238 -4.772 1.00 0.00 C ATOM 1366 CG TYR A 89 14.250 7.370 -3.763 1.00 0.00 C ATOM 1367 CD1 TYR A 89 13.158 8.225 -3.792 1.00 0.00 C ATOM 1368 CD2 TYR A 89 15.185 7.540 -2.744 1.00 0.00 C ATOM 1369 CE1 TYR A 89 13.011 9.210 -2.840 1.00 0.00 C ATOM 1370 CE2 TYR A 89 15.030 8.513 -1.789 1.00 0.00 C ATOM 1371 CZ TYR A 89 13.947 9.342 -1.841 1.00 0.00 C ATOM 1372 OH TYR A 89 13.781 10.288 -0.873 1.00 0.00 O ATOM 0 H TYR A 89 11.747 6.194 -4.615 1.00 0.00 H new ATOM 0 HA TYR A 89 13.866 4.170 -5.072 1.00 0.00 H new ATOM 0 HB2 TYR A 89 15.442 5.896 -4.760 1.00 0.00 H new ATOM 0 HB3 TYR A 89 14.211 6.627 -5.771 1.00 0.00 H new ATOM 0 HD1 TYR A 89 12.415 8.117 -4.569 1.00 0.00 H new ATOM 0 HD2 TYR A 89 16.049 6.893 -2.705 1.00 0.00 H new ATOM 0 HE1 TYR A 89 12.163 9.877 -2.878 1.00 0.00 H new ATOM 0 HE2 TYR A 89 15.760 8.622 -1.001 1.00 0.00 H new ATOM 0 HH TYR A 89 14.488 10.195 -0.200 1.00 0.00 H new ATOM 1382 N ARG A 90 14.399 4.024 -2.517 1.00 0.00 N ATOM 1383 CA ARG A 90 14.472 3.747 -1.104 1.00 0.00 C ATOM 1384 C ARG A 90 15.447 4.733 -0.473 1.00 0.00 C ATOM 1385 O ARG A 90 16.554 4.913 -0.991 1.00 0.00 O ATOM 1386 CB ARG A 90 14.913 2.297 -0.851 1.00 0.00 C ATOM 1387 CG ARG A 90 13.940 1.246 -1.387 1.00 0.00 C ATOM 1388 CD ARG A 90 12.599 1.282 -0.657 1.00 0.00 C ATOM 1389 NE ARG A 90 12.732 0.934 0.768 1.00 0.00 N ATOM 1390 CZ ARG A 90 11.900 1.326 1.754 1.00 0.00 C ATOM 1391 NH1 ARG A 90 10.906 2.166 1.509 1.00 0.00 N1+ ATOM 1392 NH2 ARG A 90 12.082 0.880 2.987 1.00 0.00 N ATOM 0 H ARG A 90 15.166 3.635 -3.065 1.00 0.00 H new ATOM 0 HA ARG A 90 13.487 3.864 -0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.889 2.140 -1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 90 15.037 2.148 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.778 1.412 -2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.383 0.255 -1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.165 2.278 -0.747 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.908 0.588 -1.136 1.00 0.00 H new ATOM 0 HE ARG A 90 13.522 0.345 1.032 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.762 2.525 0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.284 2.454 2.264 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.851 0.241 3.190 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.454 1.175 3.734 1.00 0.00 H new ATOM 1406 N PRO A 91 15.037 5.426 0.610 1.00 0.00 N ATOM 1407 CA PRO A 91 15.886 6.417 1.279 1.00 0.00 C ATOM 1408 C PRO A 91 17.210 5.820 1.752 1.00 0.00 C ATOM 1409 O PRO A 91 17.256 4.695 2.300 1.00 0.00 O ATOM 1410 CB PRO A 91 15.040 6.894 2.476 1.00 0.00 C ATOM 1411 CG PRO A 91 13.954 5.880 2.625 1.00 0.00 C ATOM 1412 CD PRO A 91 13.718 5.307 1.261 1.00 0.00 C ATOM 0 HA PRO A 91 16.165 7.227 0.605 1.00 0.00 H new ATOM 0 HB2 PRO A 91 15.643 6.959 3.382 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.628 7.887 2.295 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.245 5.100 3.328 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.046 6.339 3.016 1.00 0.00 H new ATOM 0 HD2 PRO A 91 13.387 4.270 1.312 1.00 0.00 H new ATOM 0 HD3 PRO A 91 12.951 5.860 0.719 1.00 0.00 H new ATOM 1420 N LYS A 92 18.279 6.542 1.514 1.00 0.00 N ATOM 1421 CA LYS A 92 19.603 6.097 1.887 1.00 0.00 C ATOM 1422 C LYS A 92 19.823 6.306 3.371 1.00 0.00 C ATOM 1423 O LYS A 92 19.383 7.305 3.935 1.00 0.00 O ATOM 1424 CB LYS A 92 20.672 6.882 1.140 1.00 0.00 C ATOM 1425 CG LYS A 92 20.535 6.904 -0.365 1.00 0.00 C ATOM 1426 CD LYS A 92 21.689 7.669 -0.969 1.00 0.00 C ATOM 1427 CE LYS A 92 21.532 7.860 -2.459 1.00 0.00 C ATOM 1428 NZ LYS A 92 22.701 8.540 -3.045 1.00 0.00 N1+ ATOM 0 H LYS A 92 18.257 7.454 1.057 1.00 0.00 H new ATOM 0 HA LYS A 92 19.678 5.040 1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 92 20.662 7.910 1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 92 21.647 6.464 1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 92 20.518 5.886 -0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 92 19.590 7.369 -0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 92 21.769 8.643 -0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 92 22.619 7.137 -0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 92 21.396 6.891 -2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 92 20.633 8.443 -2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 22.559 8.654 -4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 22.815 9.475 -2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 23.555 7.971 -2.876 1.00 0.00 H new ATOM 1442 N ARG A 93 20.503 5.379 3.992 1.00 0.00 N ATOM 1443 CA ARG A 93 20.838 5.496 5.394 1.00 0.00 C ATOM 1444 C ARG A 93 22.059 6.402 5.556 1.00 0.00 C ATOM 1445 O ARG A 93 22.270 6.989 6.602 1.00 0.00 O ATOM 1446 CB ARG A 93 21.073 4.107 6.013 1.00 0.00 C ATOM 1447 CG ARG A 93 21.414 4.100 7.505 1.00 0.00 C ATOM 1448 CD ARG A 93 20.340 4.791 8.348 1.00 0.00 C ATOM 1449 NE ARG A 93 19.004 4.208 8.155 1.00 0.00 N ATOM 1450 CZ ARG A 93 17.909 4.539 8.855 1.00 0.00 C ATOM 1451 NH1 ARG A 93 17.993 5.378 9.889 1.00 0.00 N1+ ATOM 1452 NH2 ARG A 93 16.744 4.000 8.540 1.00 0.00 N ATOM 0 H ARG A 93 20.840 4.525 3.547 1.00 0.00 H new ATOM 0 HA ARG A 93 20.003 5.949 5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.178 3.504 5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 93 21.883 3.619 5.471 1.00 0.00 H new ATOM 0 HG2 ARG A 93 21.533 3.071 7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 93 22.371 4.599 7.659 1.00 0.00 H new ATOM 0 HD2 ARG A 93 20.612 4.724 9.401 1.00 0.00 H new ATOM 0 HD3 ARG A 93 20.310 5.850 8.093 1.00 0.00 H new ATOM 0 HE ARG A 93 18.902 3.496 7.432 1.00 0.00 H new ATOM 0 HH11 ARG A 93 18.895 5.773 10.153 1.00 0.00 H new ATOM 0 HH12 ARG A 93 17.155 5.624 10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 93 16.681 3.336 7.768 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.908 4.248 9.069 1.00 0.00 H new ATOM 1466 N SER A 94 22.836 6.519 4.507 1.00 0.00 N ATOM 1467 CA SER A 94 23.998 7.363 4.511 1.00 0.00 C ATOM 1468 C SER A 94 23.590 8.835 4.540 1.00 0.00 C ATOM 1469 O SER A 94 24.007 9.592 5.417 1.00 0.00 O ATOM 1470 CB SER A 94 24.828 7.039 3.282 1.00 0.00 C ATOM 1471 OG SER A 94 23.986 6.977 2.127 1.00 0.00 O ATOM 0 H SER A 94 22.677 6.029 3.626 1.00 0.00 H new ATOM 0 HA SER A 94 24.594 7.180 5.405 1.00 0.00 H new ATOM 0 HB2 SER A 94 25.597 7.799 3.142 1.00 0.00 H new ATOM 0 HB3 SER A 94 25.341 6.087 3.420 1.00 0.00 H new ATOM 0 HG SER A 94 24.528 6.769 1.338 1.00 0.00 H new ATOM 1477 N LEU A 95 22.695 9.207 3.634 1.00 0.00 N ATOM 1478 CA LEU A 95 22.216 10.582 3.522 1.00 0.00 C ATOM 1479 C LEU A 95 21.030 10.835 4.441 1.00 0.00 C ATOM 1480 O LEU A 95 20.347 11.855 4.285 1.00 0.00 O ATOM 1481 CB LEU A 95 21.784 10.915 2.079 1.00 0.00 C ATOM 1482 CG LEU A 95 22.834 10.834 0.972 1.00 0.00 C ATOM 1483 CD1 LEU A 95 22.223 11.276 -0.347 1.00 0.00 C ATOM 1484 CD2 LEU A 95 24.031 11.697 1.296 1.00 0.00 C ATOM 0 H LEU A 95 22.280 8.567 2.957 1.00 0.00 H new ATOM 0 HA LEU A 95 23.050 11.220 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 95 20.968 10.243 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 95 21.378 11.926 2.079 1.00 0.00 H new ATOM 0 HG LEU A 95 23.170 9.800 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 95 22.975 11.217 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 95 21.385 10.625 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.870 12.304 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 95 24.763 11.621 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 95 23.714 12.735 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 95 24.481 11.359 2.229 1.00 0.00 H new ATOM 1496 N GLN A 96 20.826 9.934 5.424 1.00 0.00 N ATOM 1497 CA GLN A 96 19.675 9.975 6.359 1.00 0.00 C ATOM 1498 C GLN A 96 19.396 11.369 6.889 1.00 0.00 C ATOM 1499 O GLN A 96 18.262 11.829 6.864 1.00 0.00 O ATOM 1500 CB GLN A 96 19.880 9.018 7.546 1.00 0.00 C ATOM 1501 CG GLN A 96 21.173 9.252 8.335 1.00 0.00 C ATOM 1502 CD GLN A 96 21.275 8.409 9.584 1.00 0.00 C ATOM 1503 OE1 GLN A 96 20.170 8.202 10.250 1.00 0.00 O flip ATOM 1504 NE2 GLN A 96 22.368 8.006 9.983 1.00 0.00 N flip ATOM 0 H GLN A 96 21.457 9.151 5.595 1.00 0.00 H new ATOM 0 HA GLN A 96 18.812 9.655 5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 96 19.033 9.115 8.225 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.876 7.993 7.175 1.00 0.00 H new ATOM 0 HG2 GLN A 96 22.026 9.039 7.691 1.00 0.00 H new ATOM 0 HG3 GLN A 96 21.236 10.305 8.610 1.00 0.00 H new ATOM 0 HE21 GLN A 96 23.209 8.187 9.435 1.00 0.00 H new ATOM 0 HE22 GLN A 96 22.432 7.491 10.861 1.00 0.00 H new ATOM 1513 N LYS A 97 20.461 12.054 7.281 1.00 0.00 N ATOM 1514 CA LYS A 97 20.371 13.351 7.903 1.00 0.00 C ATOM 1515 C LYS A 97 19.730 14.386 7.011 1.00 0.00 C ATOM 1516 O LYS A 97 19.003 15.219 7.492 1.00 0.00 O ATOM 1517 CB LYS A 97 21.731 13.822 8.395 1.00 0.00 C ATOM 1518 CG LYS A 97 22.383 12.897 9.426 1.00 0.00 C ATOM 1519 CD LYS A 97 21.504 12.691 10.658 1.00 0.00 C ATOM 1520 CE LYS A 97 21.150 14.010 11.338 1.00 0.00 C ATOM 1521 NZ LYS A 97 20.331 13.794 12.544 1.00 0.00 N1+ ATOM 0 H LYS A 97 21.417 11.715 7.172 1.00 0.00 H new ATOM 0 HA LYS A 97 19.715 13.233 8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.399 13.922 7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 97 21.622 14.815 8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 97 22.590 11.931 8.965 1.00 0.00 H new ATOM 0 HG3 LYS A 97 23.341 13.316 9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 97 20.588 12.176 10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 97 22.021 12.045 11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 97 22.064 14.538 11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 97 20.609 14.647 10.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.348 14.651 13.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.351 13.585 12.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.715 12.994 13.086 1.00 0.00 H new ATOM 1535 N TYR A 98 19.983 14.323 5.712 1.00 0.00 N ATOM 1536 CA TYR A 98 19.369 15.259 4.795 1.00 0.00 C ATOM 1537 C TYR A 98 17.864 14.998 4.704 1.00 0.00 C ATOM 1538 O TYR A 98 17.074 15.924 4.769 1.00 0.00 O ATOM 1539 CB TYR A 98 20.038 15.220 3.398 1.00 0.00 C ATOM 1540 CG TYR A 98 19.377 16.141 2.379 1.00 0.00 C ATOM 1541 CD1 TYR A 98 19.325 17.520 2.577 1.00 0.00 C ATOM 1542 CD2 TYR A 98 18.789 15.627 1.232 1.00 0.00 C ATOM 1543 CE1 TYR A 98 18.694 18.350 1.665 1.00 0.00 C ATOM 1544 CE2 TYR A 98 18.169 16.452 0.315 1.00 0.00 C ATOM 1545 CZ TYR A 98 18.119 17.809 0.537 1.00 0.00 C ATOM 1546 OH TYR A 98 17.476 18.623 -0.374 1.00 0.00 O ATOM 0 H TYR A 98 20.603 13.640 5.277 1.00 0.00 H new ATOM 0 HA TYR A 98 19.521 16.265 5.186 1.00 0.00 H new ATOM 0 HB2 TYR A 98 21.087 15.497 3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 98 20.013 14.198 3.021 1.00 0.00 H new ATOM 0 HD1 TYR A 98 19.784 17.948 3.456 1.00 0.00 H new ATOM 0 HD2 TYR A 98 18.817 14.562 1.053 1.00 0.00 H new ATOM 0 HE1 TYR A 98 18.653 19.415 1.838 1.00 0.00 H new ATOM 0 HE2 TYR A 98 17.724 16.033 -0.575 1.00 0.00 H new ATOM 0 HH TYR A 98 17.679 19.561 -0.175 1.00 0.00 H new ATOM 1556 N TYR A 99 17.486 13.728 4.636 1.00 0.00 N ATOM 1557 CA TYR A 99 16.074 13.348 4.520 1.00 0.00 C ATOM 1558 C TYR A 99 15.307 13.775 5.758 1.00 0.00 C ATOM 1559 O TYR A 99 14.245 14.414 5.665 1.00 0.00 O ATOM 1560 CB TYR A 99 15.897 11.830 4.340 1.00 0.00 C ATOM 1561 CG TYR A 99 16.526 11.236 3.101 1.00 0.00 C ATOM 1562 CD1 TYR A 99 15.943 11.388 1.854 1.00 0.00 C ATOM 1563 CD2 TYR A 99 17.685 10.500 3.187 1.00 0.00 C ATOM 1564 CE1 TYR A 99 16.509 10.819 0.729 1.00 0.00 C ATOM 1565 CE2 TYR A 99 18.258 9.934 2.078 1.00 0.00 C ATOM 1566 CZ TYR A 99 17.670 10.091 0.852 1.00 0.00 C ATOM 1567 OH TYR A 99 18.244 9.502 -0.250 1.00 0.00 O ATOM 0 H TYR A 99 18.133 12.940 4.659 1.00 0.00 H new ATOM 0 HA TYR A 99 15.685 13.855 3.637 1.00 0.00 H new ATOM 0 HB2 TYR A 99 16.315 11.329 5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.830 11.607 4.325 1.00 0.00 H new ATOM 0 HD1 TYR A 99 15.032 11.960 1.759 1.00 0.00 H new ATOM 0 HD2 TYR A 99 18.154 10.365 4.150 1.00 0.00 H new ATOM 0 HE1 TYR A 99 16.044 10.945 -0.238 1.00 0.00 H new ATOM 0 HE2 TYR A 99 19.171 9.365 2.171 1.00 0.00 H new ATOM 0 HH TYR A 99 19.214 9.446 -0.123 1.00 0.00 H new ATOM 1577 N GLU A 100 15.848 13.432 6.918 1.00 0.00 N ATOM 1578 CA GLU A 100 15.202 13.751 8.164 1.00 0.00 C ATOM 1579 C GLU A 100 15.165 15.252 8.429 1.00 0.00 C ATOM 1580 O GLU A 100 14.121 15.775 8.787 1.00 0.00 O ATOM 1581 CB GLU A 100 15.753 12.925 9.352 1.00 0.00 C ATOM 1582 CG GLU A 100 17.261 12.948 9.522 1.00 0.00 C ATOM 1583 CD GLU A 100 17.738 12.027 10.617 1.00 0.00 C ATOM 1584 OE1 GLU A 100 17.687 10.788 10.445 1.00 0.00 O1- ATOM 1585 OE2 GLU A 100 18.162 12.517 11.682 1.00 0.00 O ATOM 0 H GLU A 100 16.733 12.933 7.013 1.00 0.00 H new ATOM 0 HA GLU A 100 14.161 13.445 8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 100 15.296 13.293 10.270 1.00 0.00 H new ATOM 0 HB3 GLU A 100 15.435 11.890 9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 100 17.733 12.663 8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 100 17.582 13.966 9.744 1.00 0.00 H new ATOM 1592 N ALA A 101 16.274 15.949 8.157 1.00 0.00 N ATOM 1593 CA ALA A 101 16.361 17.402 8.365 1.00 0.00 C ATOM 1594 C ALA A 101 15.334 18.156 7.525 1.00 0.00 C ATOM 1595 O ALA A 101 14.809 19.184 7.956 1.00 0.00 O ATOM 1596 CB ALA A 101 17.760 17.917 8.058 1.00 0.00 C ATOM 0 H ALA A 101 17.128 15.529 7.791 1.00 0.00 H new ATOM 0 HA ALA A 101 16.141 17.585 9.417 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.795 18.994 8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 101 18.480 17.428 8.714 1.00 0.00 H new ATOM 0 HB3 ALA A 101 18.008 17.698 7.019 1.00 0.00 H new ATOM 1602 N VAL A 102 15.043 17.652 6.339 1.00 0.00 N ATOM 1603 CA VAL A 102 14.058 18.295 5.502 1.00 0.00 C ATOM 1604 C VAL A 102 12.653 18.045 6.039 1.00 0.00 C ATOM 1605 O VAL A 102 11.867 18.985 6.230 1.00 0.00 O ATOM 1606 CB VAL A 102 14.122 17.845 4.016 1.00 0.00 C ATOM 1607 CG1 VAL A 102 13.051 18.552 3.207 1.00 0.00 C ATOM 1608 CG2 VAL A 102 15.469 18.153 3.418 1.00 0.00 C ATOM 0 H VAL A 102 15.469 16.814 5.943 1.00 0.00 H new ATOM 0 HA VAL A 102 14.292 19.359 5.531 1.00 0.00 H new ATOM 0 HB VAL A 102 13.957 16.768 3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.107 18.228 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 102 12.069 18.307 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 102 13.207 19.629 3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 102 15.488 17.828 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.652 19.226 3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 102 16.244 17.627 3.976 1.00 0.00 H new ATOM 1618 N LYS A 103 12.347 16.793 6.342 1.00 0.00 N ATOM 1619 CA LYS A 103 11.003 16.461 6.740 1.00 0.00 C ATOM 1620 C LYS A 103 10.642 16.993 8.092 1.00 0.00 C ATOM 1621 O LYS A 103 9.487 17.073 8.396 1.00 0.00 O ATOM 1622 CB LYS A 103 10.671 14.991 6.641 1.00 0.00 C ATOM 1623 CG LYS A 103 11.342 14.092 7.661 1.00 0.00 C ATOM 1624 CD LYS A 103 10.787 12.673 7.548 1.00 0.00 C ATOM 1625 CE LYS A 103 10.877 12.134 6.113 1.00 0.00 C ATOM 1626 NZ LYS A 103 10.138 10.870 5.929 1.00 0.00 N1+ ATOM 0 H LYS A 103 13.001 16.010 6.319 1.00 0.00 H new ATOM 0 HA LYS A 103 10.383 16.970 6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 103 9.591 14.875 6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.942 14.643 5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 103 12.420 14.084 7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 103 11.174 14.479 8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 103 11.338 12.014 8.218 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.747 12.663 7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.485 12.882 5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.924 11.978 5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.681 10.868 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.799 10.069 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.413 10.781 6.670 1.00 0.00 H new ATOM 1640 N GLU A 104 11.634 17.326 8.905 1.00 0.00 N ATOM 1641 CA GLU A 104 11.401 17.945 10.208 1.00 0.00 C ATOM 1642 C GLU A 104 10.441 19.122 10.091 1.00 0.00 C ATOM 1643 O GLU A 104 9.438 19.184 10.789 1.00 0.00 O ATOM 1644 CB GLU A 104 12.712 18.409 10.813 1.00 0.00 C ATOM 1645 CG GLU A 104 13.567 17.287 11.338 1.00 0.00 C ATOM 1646 CD GLU A 104 12.961 16.642 12.548 1.00 0.00 C ATOM 1647 OE1 GLU A 104 13.121 17.191 13.666 1.00 0.00 O ATOM 1648 OE2 GLU A 104 12.328 15.581 12.432 1.00 0.00 O1- ATOM 0 H GLU A 104 12.619 17.177 8.685 1.00 0.00 H new ATOM 0 HA GLU A 104 10.951 17.196 10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.274 18.961 10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.501 19.104 11.626 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.703 16.539 10.557 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.556 17.671 11.588 1.00 0.00 H new ATOM 1655 N GLU A 105 10.736 20.006 9.160 1.00 0.00 N ATOM 1656 CA GLU A 105 9.912 21.169 8.874 1.00 0.00 C ATOM 1657 C GLU A 105 8.532 20.788 8.409 1.00 0.00 C ATOM 1658 O GLU A 105 7.538 21.348 8.864 1.00 0.00 O ATOM 1659 CB GLU A 105 10.570 22.027 7.815 1.00 0.00 C ATOM 1660 CG GLU A 105 11.531 23.028 8.363 1.00 0.00 C ATOM 1661 CD GLU A 105 10.809 24.060 9.196 1.00 0.00 C ATOM 1662 OE1 GLU A 105 10.268 25.027 8.609 1.00 0.00 O1- ATOM 1663 OE2 GLU A 105 10.711 23.905 10.436 1.00 0.00 O ATOM 0 H GLU A 105 11.566 19.938 8.571 1.00 0.00 H new ATOM 0 HA GLU A 105 9.815 21.727 9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 105 11.095 21.381 7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.797 22.550 7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.282 22.524 8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.059 23.518 7.545 1.00 0.00 H new ATOM 1670 N LEU A 106 8.485 19.830 7.528 1.00 0.00 N ATOM 1671 CA LEU A 106 7.249 19.393 6.905 1.00 0.00 C ATOM 1672 C LEU A 106 6.378 18.727 7.945 1.00 0.00 C ATOM 1673 O LEU A 106 5.179 18.937 8.003 1.00 0.00 O ATOM 1674 CB LEU A 106 7.574 18.401 5.795 1.00 0.00 C ATOM 1675 CG LEU A 106 8.758 18.775 4.901 1.00 0.00 C ATOM 1676 CD1 LEU A 106 8.977 17.733 3.835 1.00 0.00 C ATOM 1677 CD2 LEU A 106 8.587 20.163 4.288 1.00 0.00 C ATOM 0 H LEU A 106 9.309 19.318 7.212 1.00 0.00 H new ATOM 0 HA LEU A 106 6.721 20.248 6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.776 17.430 6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.691 18.283 5.167 1.00 0.00 H new ATOM 0 HG LEU A 106 9.647 18.807 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.824 18.022 3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.182 16.771 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.083 17.652 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.448 20.392 3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.681 20.184 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.510 20.905 5.083 1.00 0.00 H new ATOM 1689 N ASP A 107 7.025 17.961 8.790 1.00 0.00 N ATOM 1690 CA ASP A 107 6.408 17.242 9.883 1.00 0.00 C ATOM 1691 C ASP A 107 5.689 18.188 10.818 1.00 0.00 C ATOM 1692 O ASP A 107 4.621 17.866 11.306 1.00 0.00 O ATOM 1693 CB ASP A 107 7.464 16.409 10.625 1.00 0.00 C ATOM 1694 CG ASP A 107 6.963 15.741 11.865 1.00 0.00 C ATOM 1695 OD1 ASP A 107 6.450 14.624 11.776 1.00 0.00 O ATOM 1696 OD2 ASP A 107 7.116 16.298 12.964 1.00 0.00 O1- ATOM 0 H ASP A 107 8.033 17.815 8.735 1.00 0.00 H new ATOM 0 HA ASP A 107 5.659 16.561 9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.851 15.648 9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.301 17.056 10.888 1.00 0.00 H new ATOM 1701 N ARG A 108 6.249 19.386 10.994 1.00 0.00 N ATOM 1702 CA ARG A 108 5.644 20.425 11.840 1.00 0.00 C ATOM 1703 C ARG A 108 4.331 20.902 11.210 1.00 0.00 C ATOM 1704 O ARG A 108 3.373 21.235 11.907 1.00 0.00 O ATOM 1705 CB ARG A 108 6.589 21.627 11.983 1.00 0.00 C ATOM 1706 CG ARG A 108 8.004 21.271 12.403 1.00 0.00 C ATOM 1707 CD ARG A 108 8.078 20.648 13.785 1.00 0.00 C ATOM 1708 NE ARG A 108 7.793 21.620 14.850 1.00 0.00 N ATOM 1709 CZ ARG A 108 7.727 21.324 16.158 1.00 0.00 C ATOM 1710 NH1 ARG A 108 7.788 20.064 16.567 1.00 0.00 N1+ ATOM 1711 NH2 ARG A 108 7.583 22.293 17.050 1.00 0.00 N ATOM 0 H ARG A 108 7.128 19.666 10.559 1.00 0.00 H new ATOM 0 HA ARG A 108 5.456 19.998 12.825 1.00 0.00 H new ATOM 0 HB2 ARG A 108 6.629 22.157 11.031 1.00 0.00 H new ATOM 0 HB3 ARG A 108 6.170 22.317 12.715 1.00 0.00 H new ATOM 0 HG2 ARG A 108 8.429 20.579 11.676 1.00 0.00 H new ATOM 0 HG3 ARG A 108 8.619 22.171 12.384 1.00 0.00 H new ATOM 0 HD2 ARG A 108 7.367 19.824 13.848 1.00 0.00 H new ATOM 0 HD3 ARG A 108 9.071 20.225 13.938 1.00 0.00 H new ATOM 0 HE ARG A 108 7.634 22.589 14.576 1.00 0.00 H new ATOM 0 HH11 ARG A 108 7.886 19.311 15.886 1.00 0.00 H new ATOM 0 HH12 ARG A 108 7.737 19.848 17.563 1.00 0.00 H new ATOM 0 HH21 ARG A 108 7.522 23.264 16.743 1.00 0.00 H new ATOM 0 HH22 ARG A 108 7.533 22.068 18.044 1.00 0.00 H new ATOM 1725 N ASP A 109 4.301 20.930 9.888 1.00 0.00 N ATOM 1726 CA ASP A 109 3.104 21.332 9.141 1.00 0.00 C ATOM 1727 C ASP A 109 2.056 20.231 9.176 1.00 0.00 C ATOM 1728 O ASP A 109 0.858 20.502 9.307 1.00 0.00 O ATOM 1729 CB ASP A 109 3.429 21.675 7.664 1.00 0.00 C ATOM 1730 CG ASP A 109 4.155 22.989 7.468 1.00 0.00 C ATOM 1731 OD1 ASP A 109 5.400 23.037 7.585 1.00 0.00 O ATOM 1732 OD2 ASP A 109 3.491 24.008 7.164 1.00 0.00 O1- ATOM 0 H ASP A 109 5.095 20.678 9.299 1.00 0.00 H new ATOM 0 HA ASP A 109 2.716 22.228 9.626 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.036 20.873 7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.498 21.701 7.097 1.00 0.00 H new ATOM 1737 N ILE A 110 2.517 19.000 9.071 1.00 0.00 N ATOM 1738 CA ILE A 110 1.653 17.818 9.041 1.00 0.00 C ATOM 1739 C ILE A 110 1.045 17.523 10.414 1.00 0.00 C ATOM 1740 O ILE A 110 -0.175 17.399 10.545 1.00 0.00 O ATOM 1741 CB ILE A 110 2.459 16.551 8.632 1.00 0.00 C ATOM 1742 CG1 ILE A 110 3.184 16.749 7.309 1.00 0.00 C ATOM 1743 CG2 ILE A 110 1.544 15.325 8.548 1.00 0.00 C ATOM 1744 CD1 ILE A 110 4.184 15.650 7.014 1.00 0.00 C ATOM 0 H ILE A 110 3.511 18.781 9.003 1.00 0.00 H new ATOM 0 HA ILE A 110 0.868 18.039 8.318 1.00 0.00 H new ATOM 0 HB ILE A 110 3.207 16.382 9.407 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.452 16.793 6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.700 17.709 7.324 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.130 14.452 8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.083 15.148 9.520 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.767 15.501 7.804 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.669 15.846 6.058 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.936 15.621 7.803 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.668 14.691 6.969 1.00 0.00 H new ATOM 1973 N ILE B 206 26.707 15.102 7.123 1.00 0.00 N ATOM 1974 CA ILE B 206 26.447 15.284 5.725 1.00 0.00 C ATOM 1975 C ILE B 206 26.668 16.732 5.474 1.00 0.00 C ATOM 1976 O ILE B 206 26.138 17.578 6.199 1.00 0.00 O ATOM 1977 CB ILE B 206 25.001 14.949 5.310 1.00 0.00 C ATOM 1978 CG1 ILE B 206 24.423 13.775 6.099 1.00 0.00 C ATOM 1979 CG2 ILE B 206 24.984 14.602 3.838 1.00 0.00 C ATOM 1980 CD1 ILE B 206 25.175 12.469 5.927 1.00 0.00 C ATOM 0 HA ILE B 206 27.092 14.615 5.155 1.00 0.00 H new ATOM 0 HB ILE B 206 24.386 15.824 5.520 1.00 0.00 H new ATOM 0 HG12 ILE B 206 24.411 14.036 7.157 1.00 0.00 H new ATOM 0 HG13 ILE B 206 23.387 13.625 5.796 1.00 0.00 H new ATOM 0 HG21 ILE B 206 23.965 14.363 3.532 1.00 0.00 H new ATOM 0 HG22 ILE B 206 25.346 15.452 3.260 1.00 0.00 H new ATOM 0 HG23 ILE B 206 25.628 13.741 3.660 1.00 0.00 H new ATOM 0 HD11 ILE B 206 24.695 11.692 6.522 1.00 0.00 H new ATOM 0 HD12 ILE B 206 25.165 12.179 4.876 1.00 0.00 H new ATOM 0 HD13 ILE B 206 26.205 12.596 6.259 1.00 0.00 H new ATOM 1992 N ASP B 207 27.377 17.019 4.470 1.00 0.00 N ATOM 1993 CA ASP B 207 27.859 18.350 4.221 1.00 0.00 C ATOM 1994 C ASP B 207 26.918 19.118 3.311 1.00 0.00 C ATOM 1995 O ASP B 207 27.225 20.210 2.841 1.00 0.00 O ATOM 1996 CB ASP B 207 29.237 18.202 3.622 1.00 0.00 C ATOM 1997 CG ASP B 207 30.021 19.493 3.491 1.00 0.00 C ATOM 1998 OD1 ASP B 207 30.255 20.180 4.508 1.00 0.00 O ATOM 1999 OD2 ASP B 207 30.489 19.803 2.372 1.00 0.00 O1- ATOM 0 H ASP B 207 27.659 16.337 3.766 1.00 0.00 H new ATOM 0 HA ASP B 207 27.907 18.930 5.143 1.00 0.00 H new ATOM 0 HB2 ASP B 207 29.811 17.507 4.235 1.00 0.00 H new ATOM 0 HB3 ASP B 207 29.141 17.751 2.634 1.00 0.00 H new ATOM 2004 N ILE B 208 25.748 18.568 3.105 1.00 0.00 N ATOM 2005 CA ILE B 208 24.793 19.194 2.230 1.00 0.00 C ATOM 2006 C ILE B 208 23.874 20.091 3.042 1.00 0.00 C ATOM 2007 O ILE B 208 24.069 21.302 3.099 1.00 0.00 O ATOM 2008 CB ILE B 208 23.909 18.177 1.466 1.00 0.00 C ATOM 2009 CG1 ILE B 208 24.687 16.919 1.130 1.00 0.00 C ATOM 2010 CG2 ILE B 208 23.439 18.816 0.191 1.00 0.00 C ATOM 2011 CD1 ILE B 208 23.880 15.866 0.379 1.00 0.00 C ATOM 0 H ILE B 208 25.436 17.694 3.529 1.00 0.00 H new ATOM 0 HA ILE B 208 25.370 19.759 1.498 1.00 0.00 H new ATOM 0 HB ILE B 208 23.065 17.900 2.098 1.00 0.00 H new ATOM 0 HG12 ILE B 208 25.555 17.192 0.530 1.00 0.00 H new ATOM 0 HG13 ILE B 208 25.064 16.481 2.054 1.00 0.00 H new ATOM 0 HG21 ILE B 208 22.815 18.113 -0.360 1.00 0.00 H new ATOM 0 HG22 ILE B 208 22.860 19.710 0.424 1.00 0.00 H new ATOM 0 HG23 ILE B 208 24.301 19.090 -0.418 1.00 0.00 H new ATOM 0 HD11 ILE B 208 24.510 15.000 0.178 1.00 0.00 H new ATOM 0 HD12 ILE B 208 23.027 15.561 0.985 1.00 0.00 H new ATOM 0 HD13 ILE B 208 23.525 16.283 -0.563 1.00 0.00 H new ATOM 2023 N MET B 209 22.916 19.445 3.737 1.00 0.00 N ATOM 2024 CA MET B 209 21.849 20.111 4.524 1.00 0.00 C ATOM 2025 C MET B 209 20.913 20.988 3.625 1.00 0.00 C ATOM 2026 O MET B 209 21.340 21.549 2.614 1.00 0.00 O ATOM 2027 CB MET B 209 22.426 20.916 5.706 1.00 0.00 C ATOM 2028 CG MET B 209 23.182 20.106 6.783 1.00 0.00 C ATOM 2029 SD MET B 209 22.155 18.945 7.750 1.00 0.00 S ATOM 2030 CE MET B 209 22.122 17.471 6.734 1.00 0.00 C ATOM 0 H MET B 209 22.858 18.427 3.770 1.00 0.00 H new ATOM 0 HA MET B 209 21.229 19.320 4.946 1.00 0.00 H new ATOM 0 HB2 MET B 209 23.104 21.671 5.307 1.00 0.00 H new ATOM 0 HB3 MET B 209 21.607 21.447 6.190 1.00 0.00 H new ATOM 0 HG2 MET B 209 23.979 19.543 6.298 1.00 0.00 H new ATOM 0 HG3 MET B 209 23.658 20.804 7.471 1.00 0.00 H new ATOM 0 HE1 MET B 209 21.088 17.187 6.538 1.00 0.00 H new ATOM 0 HE2 MET B 209 22.629 17.669 5.790 1.00 0.00 H new ATOM 0 HE3 MET B 209 22.629 16.659 7.255 1.00 0.00 H new ATOM 2040 N PRO B 210 19.619 21.088 3.965 1.00 0.00 N ATOM 2041 CA PRO B 210 18.647 21.836 3.148 1.00 0.00 C ATOM 2042 C PRO B 210 18.714 23.358 3.348 1.00 0.00 C ATOM 2043 O PRO B 210 19.261 23.853 4.352 1.00 0.00 O ATOM 2044 CB PRO B 210 17.312 21.306 3.638 1.00 0.00 C ATOM 2045 CG PRO B 210 17.547 20.925 5.061 1.00 0.00 C ATOM 2046 CD PRO B 210 18.983 20.488 5.160 1.00 0.00 C ATOM 0 HA PRO B 210 18.834 21.695 2.083 1.00 0.00 H new ATOM 0 HB2 PRO B 210 16.532 22.063 3.556 1.00 0.00 H new ATOM 0 HB3 PRO B 210 16.987 20.449 3.048 1.00 0.00 H new ATOM 0 HG2 PRO B 210 17.352 21.768 5.724 1.00 0.00 H new ATOM 0 HG3 PRO B 210 16.876 20.121 5.362 1.00 0.00 H new ATOM 0 HD2 PRO B 210 19.446 20.843 6.080 1.00 0.00 H new ATOM 0 HD3 PRO B 210 19.071 19.402 5.157 1.00 0.00 H new ATOM 2054 N ASP B 211 18.178 24.092 2.383 1.00 0.00 N ATOM 2055 CA ASP B 211 18.130 25.560 2.469 1.00 0.00 C ATOM 2056 C ASP B 211 16.796 26.089 2.943 1.00 0.00 C ATOM 2057 O ASP B 211 16.760 26.963 3.790 1.00 0.00 O ATOM 2058 CB ASP B 211 18.502 26.247 1.152 1.00 0.00 C ATOM 2059 CG ASP B 211 19.979 26.280 0.897 1.00 0.00 C ATOM 2060 OD1 ASP B 211 20.524 25.302 0.393 1.00 0.00 O ATOM 2061 OD2 ASP B 211 20.627 27.308 1.185 1.00 0.00 O1- ATOM 0 H ASP B 211 17.770 23.705 1.532 1.00 0.00 H new ATOM 0 HA ASP B 211 18.882 25.807 3.218 1.00 0.00 H new ATOM 0 HB2 ASP B 211 18.010 25.730 0.329 1.00 0.00 H new ATOM 0 HB3 ASP B 211 18.119 27.267 1.162 1.00 0.00 H new ATOM 2066 N PHE B 212 15.701 25.549 2.399 1.00 0.00 N ATOM 2067 CA PHE B 212 14.329 26.041 2.706 1.00 0.00 C ATOM 2068 C PHE B 212 14.193 27.554 2.490 1.00 0.00 C ATOM 2069 O PHE B 212 14.083 28.334 3.442 1.00 0.00 O ATOM 2070 CB PHE B 212 13.848 25.684 4.120 1.00 0.00 C ATOM 2071 CG PHE B 212 13.562 24.245 4.366 1.00 0.00 C ATOM 2072 CD1 PHE B 212 12.399 23.670 3.884 1.00 0.00 C ATOM 2073 CD2 PHE B 212 14.426 23.477 5.116 1.00 0.00 C ATOM 2074 CE1 PHE B 212 12.112 22.354 4.149 1.00 0.00 C ATOM 2075 CE2 PHE B 212 14.142 22.159 5.376 1.00 0.00 C ATOM 2076 CZ PHE B 212 12.982 21.603 4.892 1.00 0.00 C ATOM 0 H PHE B 212 15.725 24.770 1.742 1.00 0.00 H new ATOM 0 HA PHE B 212 13.687 25.518 1.997 1.00 0.00 H new ATOM 0 HB2 PHE B 212 14.604 26.011 4.833 1.00 0.00 H new ATOM 0 HB3 PHE B 212 12.944 26.255 4.330 1.00 0.00 H new ATOM 0 HD1 PHE B 212 11.713 24.261 3.295 1.00 0.00 H new ATOM 0 HD2 PHE B 212 15.334 23.915 5.503 1.00 0.00 H new ATOM 0 HE1 PHE B 212 11.201 21.912 3.772 1.00 0.00 H new ATOM 0 HE2 PHE B 212 14.828 21.562 5.959 1.00 0.00 H new ATOM 0 HZ PHE B 212 12.756 20.567 5.099 1.00 0.00 H new ATOM 2086 N SER B 213 14.276 27.955 1.262 1.00 0.00 N ATOM 2087 CA SER B 213 14.156 29.332 0.855 1.00 0.00 C ATOM 2088 C SER B 213 13.720 29.298 -0.590 1.00 0.00 C ATOM 2089 O SER B 213 13.787 28.230 -1.191 1.00 0.00 O ATOM 2090 CB SER B 213 15.529 30.034 0.970 1.00 0.00 C ATOM 2091 OG SER B 213 16.020 30.012 2.308 1.00 0.00 O ATOM 0 H SER B 213 14.435 27.316 0.483 1.00 0.00 H new ATOM 0 HA SER B 213 13.447 29.877 1.479 1.00 0.00 H new ATOM 0 HB2 SER B 213 16.245 29.543 0.311 1.00 0.00 H new ATOM 0 HB3 SER B 213 15.440 31.066 0.632 1.00 0.00 H new ATOM 0 HG SER B 213 15.365 29.573 2.890 1.00 0.00 H new ATOM 2097 N PRO B 214 13.194 30.380 -1.150 1.00 0.00 N ATOM 2098 CA PRO B 214 12.915 30.422 -2.565 1.00 0.00 C ATOM 2099 C PRO B 214 14.085 30.928 -3.351 1.00 0.00 C ATOM 2100 O PRO B 214 15.098 31.423 -2.804 1.00 0.00 O ATOM 2101 CB PRO B 214 11.842 31.473 -2.692 1.00 0.00 C ATOM 2102 CG PRO B 214 12.136 32.425 -1.585 1.00 0.00 C ATOM 2103 CD PRO B 214 12.749 31.614 -0.467 1.00 0.00 C ATOM 0 HA PRO B 214 12.656 29.429 -2.932 1.00 0.00 H new ATOM 0 HB2 PRO B 214 11.880 31.966 -3.663 1.00 0.00 H new ATOM 0 HB3 PRO B 214 10.846 31.041 -2.593 1.00 0.00 H new ATOM 0 HG2 PRO B 214 12.820 33.206 -1.917 1.00 0.00 H new ATOM 0 HG3 PRO B 214 11.225 32.921 -1.249 1.00 0.00 H new ATOM 0 HD2 PRO B 214 13.582 32.138 0.001 1.00 0.00 H new ATOM 0 HD3 PRO B 214 12.025 31.400 0.319 1.00 0.00 H new ATOM 2111 N SER B 215 13.951 30.804 -4.595 1.00 0.00 N ATOM 2112 CA SER B 215 14.789 31.397 -5.505 1.00 0.00 C ATOM 2113 C SER B 215 14.199 32.771 -5.853 1.00 0.00 C ATOM 2114 O SER B 215 13.145 33.201 -5.340 1.00 0.00 O ATOM 2115 CB SER B 215 14.899 30.525 -6.756 1.00 0.00 C ATOM 2116 OG SER B 215 13.650 30.481 -7.436 1.00 0.00 O ATOM 0 H SER B 215 13.208 30.252 -5.023 1.00 0.00 H new ATOM 0 HA SER B 215 15.791 31.514 -5.091 1.00 0.00 H new ATOM 0 HB2 SER B 215 15.668 30.922 -7.418 1.00 0.00 H new ATOM 0 HB3 SER B 215 15.206 29.517 -6.479 1.00 0.00 H new ATOM 0 HG SER B 215 13.073 29.810 -7.016 1.00 0.00 H new ATOM 2122 N GLY B 216 14.861 33.399 -6.707 1.00 0.00 N ATOM 2123 CA GLY B 216 14.510 34.690 -7.222 1.00 0.00 C ATOM 2124 C GLY B 216 13.861 34.543 -8.574 1.00 0.00 C ATOM 2125 O GLY B 216 13.581 35.522 -9.263 1.00 0.00 O ATOM 0 H GLY B 216 15.722 33.030 -7.111 1.00 0.00 H new ATOM 0 HA2 GLY B 216 13.829 35.193 -6.535 1.00 0.00 H new ATOM 0 HA3 GLY B 216 15.400 35.314 -7.302 1.00 0.00 H new ATOM 2129 N LEU B 217 13.647 33.303 -8.970 1.00 0.00 N ATOM 2130 CA LEU B 217 12.950 33.010 -10.204 1.00 0.00 C ATOM 2131 C LEU B 217 11.493 33.084 -9.864 1.00 0.00 C ATOM 2132 O LEU B 217 10.723 33.811 -10.468 1.00 0.00 O ATOM 2133 CB LEU B 217 13.268 31.578 -10.692 1.00 0.00 C ATOM 2134 CG LEU B 217 14.744 31.149 -10.718 1.00 0.00 C ATOM 2135 CD1 LEU B 217 14.881 29.741 -11.233 1.00 0.00 C ATOM 2136 CD2 LEU B 217 15.597 32.090 -11.532 1.00 0.00 C ATOM 0 H LEU B 217 13.949 32.479 -8.450 1.00 0.00 H new ATOM 0 HA LEU B 217 13.244 33.705 -10.991 1.00 0.00 H new ATOM 0 HB2 LEU B 217 12.725 30.878 -10.057 1.00 0.00 H new ATOM 0 HB3 LEU B 217 12.868 31.470 -11.700 1.00 0.00 H new ATOM 0 HG LEU B 217 15.105 31.188 -9.690 1.00 0.00 H new ATOM 0 HD11 LEU B 217 15.934 29.458 -11.243 1.00 0.00 H new ATOM 0 HD12 LEU B 217 14.329 29.061 -10.585 1.00 0.00 H new ATOM 0 HD13 LEU B 217 14.480 29.683 -12.245 1.00 0.00 H new ATOM 0 HD21 LEU B 217 16.631 31.746 -11.521 1.00 0.00 H new ATOM 0 HD22 LEU B 217 15.234 32.114 -12.559 1.00 0.00 H new ATOM 0 HD23 LEU B 217 15.543 33.091 -11.105 1.00 0.00 H new ATOM 2148 N LEU B 218 11.185 32.389 -8.789 1.00 0.00 N ATOM 2149 CA LEU B 218 9.861 32.234 -8.214 1.00 0.00 C ATOM 2150 C LEU B 218 9.110 33.554 -8.060 1.00 0.00 C ATOM 2151 O LEU B 218 7.930 33.656 -8.425 1.00 0.00 O ATOM 2152 CB LEU B 218 10.037 31.557 -6.855 1.00 0.00 C ATOM 2153 CG LEU B 218 9.448 30.136 -6.724 1.00 0.00 C ATOM 2154 CD1 LEU B 218 7.935 30.162 -6.899 1.00 0.00 C ATOM 2155 CD2 LEU B 218 10.074 29.185 -7.736 1.00 0.00 C ATOM 0 H LEU B 218 11.896 31.885 -8.259 1.00 0.00 H new ATOM 0 HA LEU B 218 9.252 31.633 -8.889 1.00 0.00 H new ATOM 0 HB2 LEU B 218 11.103 31.509 -6.631 1.00 0.00 H new ATOM 0 HB3 LEU B 218 9.580 32.190 -6.094 1.00 0.00 H new ATOM 0 HG LEU B 218 9.681 29.773 -5.723 1.00 0.00 H new ATOM 0 HD11 LEU B 218 7.540 29.151 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU B 218 7.491 30.799 -6.134 1.00 0.00 H new ATOM 0 HD13 LEU B 218 7.690 30.555 -7.886 1.00 0.00 H new ATOM 0 HD21 LEU B 218 9.639 28.192 -7.620 1.00 0.00 H new ATOM 0 HD22 LEU B 218 9.881 29.549 -8.745 1.00 0.00 H new ATOM 0 HD23 LEU B 218 11.150 29.132 -7.568 1.00 0.00 H new ATOM 2167 N GLU B 219 9.798 34.558 -7.582 1.00 0.00 N ATOM 2168 CA GLU B 219 9.198 35.853 -7.313 1.00 0.00 C ATOM 2169 C GLU B 219 8.881 36.634 -8.602 1.00 0.00 C ATOM 2170 O GLU B 219 8.143 37.634 -8.574 1.00 0.00 O ATOM 2171 CB GLU B 219 10.114 36.664 -6.399 1.00 0.00 C ATOM 2172 CG GLU B 219 11.509 36.859 -6.955 1.00 0.00 C ATOM 2173 CD GLU B 219 12.386 37.666 -6.050 1.00 0.00 C ATOM 2174 OE1 GLU B 219 12.412 38.897 -6.185 1.00 0.00 O1- ATOM 2175 OE2 GLU B 219 13.077 37.086 -5.183 1.00 0.00 O ATOM 0 H GLU B 219 10.793 34.508 -7.365 1.00 0.00 H new ATOM 0 HA GLU B 219 8.245 35.680 -6.813 1.00 0.00 H new ATOM 0 HB2 GLU B 219 9.663 37.640 -6.221 1.00 0.00 H new ATOM 0 HB3 GLU B 219 10.184 36.164 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU B 219 11.967 35.885 -7.124 1.00 0.00 H new ATOM 0 HG3 GLU B 219 11.443 37.353 -7.925 1.00 0.00 H new ATOM 2182 N LEU B 220 9.413 36.186 -9.724 1.00 0.00 N ATOM 2183 CA LEU B 220 9.200 36.879 -10.982 1.00 0.00 C ATOM 2184 C LEU B 220 8.317 36.081 -11.933 1.00 0.00 C ATOM 2185 O LEU B 220 7.956 36.571 -13.012 1.00 0.00 O ATOM 2186 CB LEU B 220 10.532 37.208 -11.665 1.00 0.00 C ATOM 2187 CG LEU B 220 11.515 38.080 -10.877 1.00 0.00 C ATOM 2188 CD1 LEU B 220 12.745 38.363 -11.706 1.00 0.00 C ATOM 2189 CD2 LEU B 220 10.865 39.383 -10.438 1.00 0.00 C ATOM 0 H LEU B 220 9.993 35.350 -9.791 1.00 0.00 H new ATOM 0 HA LEU B 220 8.684 37.809 -10.741 1.00 0.00 H new ATOM 0 HB2 LEU B 220 11.030 36.269 -11.908 1.00 0.00 H new ATOM 0 HB3 LEU B 220 10.315 37.708 -12.609 1.00 0.00 H new ATOM 0 HG LEU B 220 11.809 37.531 -9.982 1.00 0.00 H new ATOM 0 HD11 LEU B 220 13.435 38.983 -11.134 1.00 0.00 H new ATOM 0 HD12 LEU B 220 13.233 37.423 -11.966 1.00 0.00 H new ATOM 0 HD13 LEU B 220 12.457 38.887 -12.618 1.00 0.00 H new ATOM 0 HD21 LEU B 220 11.587 39.980 -9.881 1.00 0.00 H new ATOM 0 HD22 LEU B 220 10.534 39.938 -11.316 1.00 0.00 H new ATOM 0 HD23 LEU B 220 10.007 39.165 -9.802 1.00 0.00 H new ATOM 2201 N GLU B 221 7.956 34.871 -11.548 1.00 0.00 N ATOM 2202 CA GLU B 221 7.152 34.027 -12.428 1.00 0.00 C ATOM 2203 C GLU B 221 5.675 34.413 -12.371 1.00 0.00 C ATOM 2204 O GLU B 221 4.976 34.361 -13.387 1.00 0.00 O ATOM 2205 CB GLU B 221 7.362 32.542 -12.130 1.00 0.00 C ATOM 2206 CG GLU B 221 8.822 32.103 -12.234 1.00 0.00 C ATOM 2207 CD GLU B 221 9.476 32.483 -13.558 1.00 0.00 C ATOM 2208 OE1 GLU B 221 9.404 31.698 -14.514 1.00 0.00 O ATOM 2209 OE2 GLU B 221 10.093 33.561 -13.651 1.00 0.00 O1- ATOM 0 H GLU B 221 8.198 34.452 -10.650 1.00 0.00 H new ATOM 0 HA GLU B 221 7.493 34.199 -13.449 1.00 0.00 H new ATOM 0 HB2 GLU B 221 6.996 32.325 -11.127 1.00 0.00 H new ATOM 0 HB3 GLU B 221 6.762 31.952 -12.823 1.00 0.00 H new ATOM 0 HG2 GLU B 221 9.387 32.550 -11.416 1.00 0.00 H new ATOM 0 HG3 GLU B 221 8.879 31.022 -12.106 1.00 0.00 H new ATOM 2461 N PRO C 315 -4.831 24.153 -1.663 1.00 0.00 N ATOM 2462 CA PRO C 315 -3.475 24.500 -1.183 1.00 0.00 C ATOM 2463 C PRO C 315 -3.226 24.194 0.307 1.00 0.00 C ATOM 2464 O PRO C 315 -4.099 24.420 1.167 1.00 0.00 O ATOM 2465 CB PRO C 315 -3.424 26.000 -1.415 1.00 0.00 C ATOM 2466 CG PRO C 315 -4.219 26.205 -2.650 1.00 0.00 C ATOM 2467 CD PRO C 315 -5.323 25.184 -2.617 1.00 0.00 C ATOM 0 HA PRO C 315 -2.714 23.915 -1.699 1.00 0.00 H new ATOM 0 HB2 PRO C 315 -3.848 26.548 -0.573 1.00 0.00 H new ATOM 0 HB3 PRO C 315 -2.399 26.349 -1.539 1.00 0.00 H new ATOM 0 HG2 PRO C 315 -4.625 27.216 -2.687 1.00 0.00 H new ATOM 0 HG3 PRO C 315 -3.599 26.078 -3.537 1.00 0.00 H new ATOM 0 HD2 PRO C 315 -6.263 25.623 -2.281 1.00 0.00 H new ATOM 0 HD3 PRO C 315 -5.504 24.760 -3.605 1.00 0.00 H new ATOM 2475 N GLY C 316 -2.026 23.710 0.586 1.00 0.00 N ATOM 2476 CA GLY C 316 -1.648 23.299 1.918 1.00 0.00 C ATOM 2477 C GLY C 316 -1.302 24.445 2.850 1.00 0.00 C ATOM 2478 O GLY C 316 -2.190 25.126 3.360 1.00 0.00 O ATOM 0 H GLY C 316 -1.289 23.593 -0.110 1.00 0.00 H new ATOM 0 HA2 GLY C 316 -2.466 22.725 2.354 1.00 0.00 H new ATOM 0 HA3 GLY C 316 -0.790 22.630 1.850 1.00 0.00 H new ATOM 2482 N SER C 317 -0.023 24.675 3.069 1.00 0.00 N ATOM 2483 CA SER C 317 0.392 25.668 4.043 1.00 0.00 C ATOM 2484 C SER C 317 1.502 26.587 3.523 1.00 0.00 C ATOM 2485 O SER C 317 1.418 27.813 3.654 1.00 0.00 O ATOM 2486 CB SER C 317 0.832 24.955 5.326 1.00 0.00 C ATOM 2487 OG SER C 317 1.827 23.971 5.040 1.00 0.00 O ATOM 0 H SER C 317 0.740 24.195 2.593 1.00 0.00 H new ATOM 0 HA SER C 317 -0.462 26.314 4.247 1.00 0.00 H new ATOM 0 HB2 SER C 317 1.226 25.683 6.036 1.00 0.00 H new ATOM 0 HB3 SER C 317 -0.029 24.482 5.799 1.00 0.00 H new ATOM 0 HG SER C 317 2.324 23.760 5.858 1.00 0.00 H new ATOM 2493 N ARG C 318 2.517 26.005 2.890 1.00 0.00 N ATOM 2494 CA ARG C 318 3.694 26.761 2.434 1.00 0.00 C ATOM 2495 C ARG C 318 3.497 27.333 1.034 1.00 0.00 C ATOM 2496 O ARG C 318 4.453 27.617 0.311 1.00 0.00 O ATOM 2497 CB ARG C 318 4.962 25.898 2.519 1.00 0.00 C ATOM 2498 CG ARG C 318 5.276 25.443 3.939 1.00 0.00 C ATOM 2499 CD ARG C 318 6.616 24.733 4.044 1.00 0.00 C ATOM 2500 NE ARG C 318 6.870 24.288 5.426 1.00 0.00 N ATOM 2501 CZ ARG C 318 7.941 24.580 6.164 1.00 0.00 C ATOM 2502 NH1 ARG C 318 8.931 25.333 5.683 1.00 0.00 N1+ ATOM 2503 NH2 ARG C 318 8.005 24.120 7.392 1.00 0.00 N ATOM 0 H ARG C 318 2.554 25.008 2.678 1.00 0.00 H new ATOM 0 HA ARG C 318 3.820 27.611 3.105 1.00 0.00 H new ATOM 0 HB2 ARG C 318 4.843 25.023 1.880 1.00 0.00 H new ATOM 0 HB3 ARG C 318 5.808 26.464 2.129 1.00 0.00 H new ATOM 0 HG2 ARG C 318 5.275 26.308 4.602 1.00 0.00 H new ATOM 0 HG3 ARG C 318 4.487 24.775 4.285 1.00 0.00 H new ATOM 0 HD2 ARG C 318 6.630 23.874 3.373 1.00 0.00 H new ATOM 0 HD3 ARG C 318 7.413 25.403 3.721 1.00 0.00 H new ATOM 0 HE ARG C 318 6.158 23.700 5.859 1.00 0.00 H new ATOM 0 HH11 ARG C 318 8.878 25.698 4.732 1.00 0.00 H new ATOM 0 HH12 ARG C 318 9.741 25.544 6.266 1.00 0.00 H new ATOM 0 HH21 ARG C 318 7.244 23.551 7.764 1.00 0.00 H new ATOM 0 HH22 ARG C 318 8.815 24.331 7.974 1.00 0.00 H new ATOM 2517 N TRP C 319 2.259 27.523 0.673 1.00 0.00 N ATOM 2518 CA TRP C 319 1.922 28.135 -0.571 1.00 0.00 C ATOM 2519 C TRP C 319 1.730 29.625 -0.328 1.00 0.00 C ATOM 2520 O TRP C 319 0.826 30.032 0.396 1.00 0.00 O ATOM 2521 CB TRP C 319 0.663 27.496 -1.160 1.00 0.00 C ATOM 2522 CG TRP C 319 0.248 28.071 -2.478 1.00 0.00 C ATOM 2523 CD1 TRP C 319 0.939 28.026 -3.653 1.00 0.00 C ATOM 2524 CD2 TRP C 319 -0.972 28.755 -2.761 1.00 0.00 C ATOM 2525 NE1 TRP C 319 0.229 28.656 -4.631 1.00 0.00 N ATOM 2526 CE2 TRP C 319 -0.950 29.102 -4.117 1.00 0.00 C ATOM 2527 CE3 TRP C 319 -2.080 29.110 -1.996 1.00 0.00 C ATOM 2528 CZ2 TRP C 319 -1.993 29.788 -4.729 1.00 0.00 C ATOM 2529 CZ3 TRP C 319 -3.114 29.785 -2.604 1.00 0.00 C ATOM 2530 CH2 TRP C 319 -3.064 30.117 -3.958 1.00 0.00 C ATOM 0 H TRP C 319 1.455 27.254 1.240 1.00 0.00 H new ATOM 0 HA TRP C 319 2.722 27.986 -1.296 1.00 0.00 H new ATOM 0 HB2 TRP C 319 0.833 26.426 -1.279 1.00 0.00 H new ATOM 0 HB3 TRP C 319 -0.157 27.611 -0.451 1.00 0.00 H new ATOM 0 HD1 TRP C 319 1.904 27.561 -3.788 1.00 0.00 H new ATOM 0 HE1 TRP C 319 0.533 28.775 -5.597 1.00 0.00 H new ATOM 0 HE3 TRP C 319 -2.127 28.861 -0.946 1.00 0.00 H new ATOM 0 HZ2 TRP C 319 -1.954 30.050 -5.776 1.00 0.00 H new ATOM 0 HZ3 TRP C 319 -3.980 30.063 -2.022 1.00 0.00 H new ATOM 0 HH2 TRP C 319 -3.893 30.646 -4.403 1.00 0.00 H new ATOM 2541 N ASP C 320 2.636 30.410 -0.872 1.00 0.00 N ATOM 2542 CA ASP C 320 2.622 31.878 -0.731 1.00 0.00 C ATOM 2543 C ASP C 320 1.368 32.524 -1.325 1.00 0.00 C ATOM 2544 O ASP C 320 0.799 33.450 -0.748 1.00 0.00 O ATOM 2545 CB ASP C 320 3.882 32.477 -1.366 1.00 0.00 C ATOM 2546 CG ASP C 320 3.814 33.987 -1.533 1.00 0.00 C ATOM 2547 OD1 ASP C 320 4.017 34.735 -0.548 1.00 0.00 O1- ATOM 2548 OD2 ASP C 320 3.572 34.444 -2.657 1.00 0.00 O ATOM 0 H ASP C 320 3.414 30.060 -1.431 1.00 0.00 H new ATOM 0 HA ASP C 320 2.607 32.095 0.337 1.00 0.00 H new ATOM 0 HB2 ASP C 320 4.745 32.225 -0.750 1.00 0.00 H new ATOM 0 HB3 ASP C 320 4.042 32.018 -2.341 1.00 0.00 H new ATOM 2553 N GLY C 321 0.922 32.017 -2.439 1.00 0.00 N ATOM 2554 CA GLY C 321 -0.213 32.618 -3.094 1.00 0.00 C ATOM 2555 C GLY C 321 0.031 32.770 -4.560 1.00 0.00 C ATOM 2556 O GLY C 321 -0.877 33.085 -5.327 1.00 0.00 O ATOM 0 H GLY C 321 1.316 31.202 -2.909 1.00 0.00 H new ATOM 0 HA2 GLY C 321 -1.098 32.003 -2.931 1.00 0.00 H new ATOM 0 HA3 GLY C 321 -0.417 33.594 -2.653 1.00 0.00 H new