USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 784 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 93 MET CE :methyl 154:sc= -0.335 (180deg=-1.14) USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 TYR OH : rot 131:sc= 0.462 USER MOD Set 2.2: A 62 GLN : amide:sc= -4.6! C(o=-4.1!,f=-4.3!) USER MOD Set 3.1: A 43 ASN : amide:sc= 0.0113 K(o=-0.0075,f=-4.3!) USER MOD Set 3.2: A 44 SER OG : rot 44:sc= -0.0188 USER MOD Set 4.1: A 17 THR OG1 : rot 180:sc= 0.11 USER MOD Set 4.2: A 20 GLN : amide:sc= -0.0124 K(o=0.097,f=-1.5!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -5.52! C(o=-5.5!,f=-12!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0288 USER MOD Single : A 23 HIS : no HD1:sc= -0.056 X(o=-0.056,f=-0.082) USER MOD Single : A 24 MET CE :methyl 178:sc= -0.0873 (180deg=-0.0893) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 163:sc= 0.46 (180deg=0.302) USER MOD Single : A 40 ASN : amide:sc= -0.383 K(o=-0.38,f=-1.5!) USER MOD Single : A 48 SER OG : rot 34:sc= 0.27 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -8.82! C(o=-8.8!,f=-7.5!) USER MOD Single : A 58 CYS SG : rot 71:sc= -1.58 USER MOD Single : A 61 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.36!) USER MOD Single : A 65 GLN : amide:sc= -0.827 K(o=-0.83,f=-2.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -126:sc= -1.27 (180deg=-2.29!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.725 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 65:sc= -3.9! USER MOD Single : A 84 TYR OH : rot -179:sc= -7.72! USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.102) USER MOD Single : A 87 HIS : no HD1:sc= -3.41! C(o=-3.4!,f=-4.4!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0223 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N TRP A 11 -3.227 9.365 0.190 1.00 0.00 N ATOM 142 CA TRP A 11 -1.904 8.702 0.368 1.00 0.00 C ATOM 143 C TRP A 11 -1.574 7.869 -0.873 1.00 0.00 C ATOM 144 O TRP A 11 -0.991 6.808 -0.782 1.00 0.00 O ATOM 145 CB TRP A 11 -1.925 7.789 1.604 1.00 0.00 C ATOM 146 CG TRP A 11 -3.335 7.503 2.020 1.00 0.00 C ATOM 147 CD1 TRP A 11 -3.951 8.045 3.096 1.00 0.00 C ATOM 148 CD2 TRP A 11 -4.310 6.619 1.392 1.00 0.00 C ATOM 149 NE1 TRP A 11 -5.242 7.550 3.169 1.00 0.00 N ATOM 150 CE2 TRP A 11 -5.510 6.668 2.141 1.00 0.00 C ATOM 151 CE3 TRP A 11 -4.269 5.789 0.258 1.00 0.00 C ATOM 152 CZ2 TRP A 11 -6.631 5.919 1.776 1.00 0.00 C ATOM 153 CZ3 TRP A 11 -5.396 5.034 -0.112 1.00 0.00 C ATOM 154 CH2 TRP A 11 -6.574 5.100 0.645 1.00 0.00 C ATOM 0 HA TRP A 11 -1.144 9.471 0.508 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.408 6.855 1.383 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.387 8.264 2.424 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.508 8.749 3.785 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.913 7.806 3.893 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.367 5.731 -0.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -7.536 5.972 2.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.354 4.399 -0.985 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.437 4.519 0.355 1.00 0.00 H new ATOM 165 N TYR A 12 -1.940 8.343 -2.033 1.00 0.00 N ATOM 166 CA TYR A 12 -1.642 7.575 -3.274 1.00 0.00 C ATOM 167 C TYR A 12 -1.025 8.511 -4.317 1.00 0.00 C ATOM 168 O TYR A 12 -1.253 9.705 -4.306 1.00 0.00 O ATOM 169 CB TYR A 12 -2.936 6.968 -3.826 1.00 0.00 C ATOM 170 CG TYR A 12 -3.770 8.044 -4.479 1.00 0.00 C ATOM 171 CD1 TYR A 12 -3.510 8.426 -5.801 1.00 0.00 C ATOM 172 CD2 TYR A 12 -4.804 8.661 -3.765 1.00 0.00 C ATOM 173 CE1 TYR A 12 -4.282 9.423 -6.408 1.00 0.00 C ATOM 174 CE2 TYR A 12 -5.577 9.657 -4.371 1.00 0.00 C ATOM 175 CZ TYR A 12 -5.317 10.038 -5.694 1.00 0.00 C ATOM 176 OH TYR A 12 -6.080 11.020 -6.292 1.00 0.00 O ATOM 0 H TYR A 12 -2.431 9.226 -2.174 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.939 6.774 -3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.702 6.187 -4.550 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.500 6.497 -3.021 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.713 7.951 -6.353 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -5.005 8.368 -2.745 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.079 9.718 -7.427 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.374 10.132 -3.819 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.755 11.341 -5.658 1.00 0.00 H new ATOM 186 N HIS A 13 -0.245 7.980 -5.220 1.00 0.00 N ATOM 187 CA HIS A 13 0.382 8.840 -6.261 1.00 0.00 C ATOM 188 C HIS A 13 -0.126 8.423 -7.641 1.00 0.00 C ATOM 189 O HIS A 13 -0.692 7.361 -7.812 1.00 0.00 O ATOM 190 CB HIS A 13 1.904 8.680 -6.208 1.00 0.00 C ATOM 191 CG HIS A 13 2.377 8.837 -4.789 1.00 0.00 C ATOM 192 ND1 HIS A 13 2.168 9.999 -4.062 1.00 0.00 N ATOM 193 CD2 HIS A 13 3.052 7.987 -3.949 1.00 0.00 C ATOM 194 CE1 HIS A 13 2.708 9.818 -2.843 1.00 0.00 C ATOM 195 NE2 HIS A 13 3.260 8.607 -2.721 1.00 0.00 N ATOM 0 H HIS A 13 -0.016 6.988 -5.281 1.00 0.00 H new ATOM 0 HA HIS A 13 0.120 9.882 -6.077 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.191 7.701 -6.592 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.381 9.424 -6.846 1.00 0.00 H new ATOM 0 HD1 HIS A 13 1.691 10.839 -4.391 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.373 6.988 -4.203 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.697 10.561 -2.059 1.00 0.00 H new ATOM 203 N ALA A 14 0.072 9.251 -8.631 1.00 0.00 N ATOM 204 CA ALA A 14 -0.399 8.902 -10.001 1.00 0.00 C ATOM 205 C ALA A 14 0.366 9.736 -11.031 1.00 0.00 C ATOM 206 O ALA A 14 -0.211 10.310 -11.932 1.00 0.00 O ATOM 207 CB ALA A 14 -1.895 9.199 -10.117 1.00 0.00 C ATOM 0 H ALA A 14 0.540 10.154 -8.550 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.223 7.842 -10.187 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.240 8.944 -11.119 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.442 8.607 -9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.071 10.259 -9.932 1.00 0.00 H new ATOM 213 N SER A 15 1.664 9.809 -10.903 1.00 0.00 N ATOM 214 CA SER A 15 2.464 10.606 -11.875 1.00 0.00 C ATOM 215 C SER A 15 3.787 9.892 -12.155 1.00 0.00 C ATOM 216 O SER A 15 4.853 10.418 -11.904 1.00 0.00 O ATOM 217 CB SER A 15 2.745 11.990 -11.288 1.00 0.00 C ATOM 218 OG SER A 15 1.550 12.512 -10.722 1.00 0.00 O ATOM 0 H SER A 15 2.203 9.351 -10.168 1.00 0.00 H new ATOM 0 HA SER A 15 1.906 10.712 -12.805 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.523 11.924 -10.527 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.115 12.659 -12.065 1.00 0.00 H new ATOM 0 HG SER A 15 1.727 13.398 -10.344 1.00 0.00 H new ATOM 224 N LEU A 16 3.729 8.696 -12.674 1.00 0.00 N ATOM 225 CA LEU A 16 4.985 7.951 -12.970 1.00 0.00 C ATOM 226 C LEU A 16 4.648 6.663 -13.725 1.00 0.00 C ATOM 227 O LEU A 16 3.527 6.196 -13.707 1.00 0.00 O ATOM 228 CB LEU A 16 5.695 7.601 -11.659 1.00 0.00 C ATOM 229 CG LEU A 16 4.657 7.361 -10.562 1.00 0.00 C ATOM 230 CD1 LEU A 16 3.832 6.119 -10.902 1.00 0.00 C ATOM 231 CD2 LEU A 16 5.371 7.148 -9.226 1.00 0.00 C ATOM 0 H LEU A 16 2.867 8.203 -12.906 1.00 0.00 H new ATOM 0 HA LEU A 16 5.639 8.573 -13.582 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.310 6.711 -11.793 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.365 8.410 -11.369 1.00 0.00 H new ATOM 0 HG LEU A 16 3.997 8.226 -10.490 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.092 5.948 -10.120 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.325 6.269 -11.855 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.490 5.253 -10.974 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.633 6.977 -8.442 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.030 6.283 -9.299 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.960 8.033 -8.983 1.00 0.00 H new ATOM 243 N THR A 17 5.613 6.087 -14.389 1.00 0.00 N ATOM 244 CA THR A 17 5.350 4.830 -15.145 1.00 0.00 C ATOM 245 C THR A 17 5.087 3.689 -14.160 1.00 0.00 C ATOM 246 O THR A 17 5.211 3.850 -12.962 1.00 0.00 O ATOM 247 CB THR A 17 6.564 4.488 -16.010 1.00 0.00 C ATOM 248 OG1 THR A 17 7.453 5.596 -16.040 1.00 0.00 O ATOM 249 CG2 THR A 17 6.104 4.162 -17.432 1.00 0.00 C ATOM 0 H THR A 17 6.571 6.432 -14.440 1.00 0.00 H new ATOM 0 HA THR A 17 4.478 4.967 -15.784 1.00 0.00 H new ATOM 0 HB THR A 17 7.077 3.623 -15.589 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.232 5.376 -16.593 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.970 3.918 -18.048 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.424 3.310 -17.408 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.589 5.025 -17.855 1.00 0.00 H new ATOM 257 N ARG A 18 4.727 2.536 -14.655 1.00 0.00 N ATOM 258 CA ARG A 18 4.457 1.387 -13.746 1.00 0.00 C ATOM 259 C ARG A 18 5.770 0.675 -13.420 1.00 0.00 C ATOM 260 O ARG A 18 5.891 0.003 -12.413 1.00 0.00 O ATOM 261 CB ARG A 18 3.502 0.408 -14.431 1.00 0.00 C ATOM 262 CG ARG A 18 4.176 -0.178 -15.674 1.00 0.00 C ATOM 263 CD ARG A 18 3.138 -0.920 -16.517 1.00 0.00 C ATOM 264 NE ARG A 18 2.450 -1.938 -15.674 1.00 0.00 N ATOM 265 CZ ARG A 18 1.335 -2.479 -16.084 1.00 0.00 C ATOM 266 NH1 ARG A 18 0.314 -1.722 -16.382 1.00 0.00 N ATOM 267 NH2 ARG A 18 1.241 -3.775 -16.195 1.00 0.00 N ATOM 0 H ARG A 18 4.608 2.341 -15.649 1.00 0.00 H new ATOM 0 HA ARG A 18 4.003 1.752 -12.824 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.228 -0.391 -13.742 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.580 0.918 -14.711 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.635 0.618 -16.261 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.975 -0.859 -15.380 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.411 -0.215 -16.921 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.621 -1.402 -17.367 1.00 0.00 H new ATOM 0 HE ARG A 18 2.850 -2.212 -14.777 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.388 -0.708 -16.294 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.558 -2.144 -16.702 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.039 -4.366 -15.961 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.370 -4.198 -16.515 1.00 0.00 H new ATOM 281 N ALA A 19 6.757 0.812 -14.263 1.00 0.00 N ATOM 282 CA ALA A 19 8.060 0.143 -14.002 1.00 0.00 C ATOM 283 C ALA A 19 9.034 1.143 -13.375 1.00 0.00 C ATOM 284 O ALA A 19 10.020 0.769 -12.773 1.00 0.00 O ATOM 285 CB ALA A 19 8.639 -0.378 -15.319 1.00 0.00 C ATOM 0 H ALA A 19 6.716 1.360 -15.122 1.00 0.00 H new ATOM 0 HA ALA A 19 7.908 -0.691 -13.317 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.594 -0.868 -15.128 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.946 -1.093 -15.763 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.790 0.455 -16.005 1.00 0.00 H new ATOM 291 N GLN A 20 8.766 2.412 -13.514 1.00 0.00 N ATOM 292 CA GLN A 20 9.679 3.434 -12.927 1.00 0.00 C ATOM 293 C GLN A 20 9.303 3.675 -11.464 1.00 0.00 C ATOM 294 O GLN A 20 10.099 4.148 -10.678 1.00 0.00 O ATOM 295 CB GLN A 20 9.552 4.743 -13.708 1.00 0.00 C ATOM 296 CG GLN A 20 10.702 5.678 -13.331 1.00 0.00 C ATOM 297 CD GLN A 20 10.489 7.042 -13.989 1.00 0.00 C ATOM 298 OE1 GLN A 20 9.387 7.376 -14.378 1.00 0.00 O ATOM 299 NE2 GLN A 20 11.504 7.850 -14.132 1.00 0.00 N ATOM 0 H GLN A 20 7.956 2.786 -14.008 1.00 0.00 H new ATOM 0 HA GLN A 20 10.707 3.076 -12.984 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.569 4.542 -14.779 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.596 5.218 -13.488 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.754 5.789 -12.248 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.652 5.251 -13.653 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.429 7.570 -13.806 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.372 8.762 -14.570 1.00 0.00 H new ATOM 308 N ALA A 21 8.093 3.355 -11.092 1.00 0.00 N ATOM 309 CA ALA A 21 7.666 3.567 -9.681 1.00 0.00 C ATOM 310 C ALA A 21 8.497 2.675 -8.757 1.00 0.00 C ATOM 311 O ALA A 21 8.659 2.959 -7.587 1.00 0.00 O ATOM 312 CB ALA A 21 6.186 3.212 -9.538 1.00 0.00 C ATOM 0 H ALA A 21 7.382 2.956 -11.705 1.00 0.00 H new ATOM 0 HA ALA A 21 7.817 4.612 -9.409 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.873 3.367 -8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.594 3.848 -10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.034 2.167 -9.810 1.00 0.00 H new ATOM 318 N GLU A 22 9.025 1.598 -9.271 1.00 0.00 N ATOM 319 CA GLU A 22 9.844 0.690 -8.420 1.00 0.00 C ATOM 320 C GLU A 22 11.173 1.371 -8.082 1.00 0.00 C ATOM 321 O GLU A 22 11.603 1.384 -6.946 1.00 0.00 O ATOM 322 CB GLU A 22 10.116 -0.613 -9.176 1.00 0.00 C ATOM 323 CG GLU A 22 8.842 -1.461 -9.210 1.00 0.00 C ATOM 324 CD GLU A 22 7.832 -0.828 -10.169 1.00 0.00 C ATOM 325 OE1 GLU A 22 8.249 -0.379 -11.224 1.00 0.00 O ATOM 326 OE2 GLU A 22 6.660 -0.802 -9.831 1.00 0.00 O ATOM 0 H GLU A 22 8.924 1.308 -10.244 1.00 0.00 H new ATOM 0 HA GLU A 22 9.303 0.469 -7.500 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.447 -0.394 -10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.920 -1.166 -8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.077 -2.476 -9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.414 -1.533 -8.210 1.00 0.00 H new ATOM 333 N HIS A 23 11.825 1.937 -9.062 1.00 0.00 N ATOM 334 CA HIS A 23 13.125 2.616 -8.797 1.00 0.00 C ATOM 335 C HIS A 23 12.872 3.941 -8.075 1.00 0.00 C ATOM 336 O HIS A 23 13.754 4.496 -7.449 1.00 0.00 O ATOM 337 CB HIS A 23 13.837 2.888 -10.125 1.00 0.00 C ATOM 338 CG HIS A 23 15.185 3.500 -9.855 1.00 0.00 C ATOM 339 ND1 HIS A 23 16.272 2.744 -9.445 1.00 0.00 N ATOM 340 CD2 HIS A 23 15.636 4.794 -9.932 1.00 0.00 C ATOM 341 CE1 HIS A 23 17.314 3.581 -9.293 1.00 0.00 C ATOM 342 NE2 HIS A 23 16.981 4.844 -9.576 1.00 0.00 N ATOM 0 H HIS A 23 11.514 1.958 -10.033 1.00 0.00 H new ATOM 0 HA HIS A 23 13.748 1.976 -8.173 1.00 0.00 H new ATOM 0 HB2 HIS A 23 13.953 1.960 -10.685 1.00 0.00 H new ATOM 0 HB3 HIS A 23 13.238 3.559 -10.741 1.00 0.00 H new ATOM 0 HD2 HIS A 23 15.038 5.645 -10.224 1.00 0.00 H new ATOM 0 HE1 HIS A 23 18.300 3.270 -8.980 1.00 0.00 H new ATOM 0 HE2 HIS A 23 17.582 5.667 -9.539 1.00 0.00 H new ATOM 350 N MET A 24 11.676 4.454 -8.159 1.00 0.00 N ATOM 351 CA MET A 24 11.369 5.743 -7.478 1.00 0.00 C ATOM 352 C MET A 24 10.990 5.476 -6.020 1.00 0.00 C ATOM 353 O MET A 24 11.132 6.327 -5.166 1.00 0.00 O ATOM 354 CB MET A 24 10.204 6.431 -8.193 1.00 0.00 C ATOM 355 CG MET A 24 10.556 6.633 -9.667 1.00 0.00 C ATOM 356 SD MET A 24 10.843 8.392 -9.984 1.00 0.00 S ATOM 357 CE MET A 24 12.650 8.339 -9.933 1.00 0.00 C ATOM 0 H MET A 24 10.898 4.037 -8.670 1.00 0.00 H new ATOM 0 HA MET A 24 12.247 6.388 -7.509 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.301 5.827 -8.104 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.992 7.392 -7.724 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.446 6.057 -9.922 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.747 6.266 -10.299 1.00 0.00 H new ATOM 0 HE1 MET A 24 13.049 9.331 -10.143 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.977 8.018 -8.944 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.015 7.636 -10.681 1.00 0.00 H new ATOM 367 N LEU A 25 10.511 4.299 -5.725 1.00 0.00 N ATOM 368 CA LEU A 25 10.130 3.979 -4.325 1.00 0.00 C ATOM 369 C LEU A 25 11.372 3.485 -3.571 1.00 0.00 C ATOM 370 O LEU A 25 11.473 3.617 -2.368 1.00 0.00 O ATOM 371 CB LEU A 25 9.036 2.901 -4.345 1.00 0.00 C ATOM 372 CG LEU A 25 9.079 2.077 -3.059 1.00 0.00 C ATOM 373 CD1 LEU A 25 8.884 2.997 -1.853 1.00 0.00 C ATOM 374 CD2 LEU A 25 7.966 1.026 -3.087 1.00 0.00 C ATOM 0 H LEU A 25 10.368 3.545 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 25 9.743 4.863 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.057 3.369 -4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.174 2.249 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 25 10.046 1.579 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.915 2.407 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.679 3.743 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.919 3.498 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.997 0.438 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.999 1.522 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.108 0.368 -3.944 1.00 0.00 H new ATOM 386 N MET A 26 12.313 2.913 -4.271 1.00 0.00 N ATOM 387 CA MET A 26 13.546 2.407 -3.602 1.00 0.00 C ATOM 388 C MET A 26 14.570 3.541 -3.471 1.00 0.00 C ATOM 389 O MET A 26 15.498 3.465 -2.691 1.00 0.00 O ATOM 390 CB MET A 26 14.149 1.271 -4.432 1.00 0.00 C ATOM 391 CG MET A 26 14.436 1.769 -5.849 1.00 0.00 C ATOM 392 SD MET A 26 16.225 1.889 -6.095 1.00 0.00 S ATOM 393 CE MET A 26 16.535 0.128 -6.374 1.00 0.00 C ATOM 0 H MET A 26 12.281 2.774 -5.281 1.00 0.00 H new ATOM 0 HA MET A 26 13.288 2.038 -2.609 1.00 0.00 H new ATOM 0 HB2 MET A 26 15.069 0.916 -3.967 1.00 0.00 H new ATOM 0 HB3 MET A 26 13.461 0.426 -4.465 1.00 0.00 H new ATOM 0 HG2 MET A 26 14.002 1.087 -6.580 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.970 2.742 -6.005 1.00 0.00 H new ATOM 0 HE1 MET A 26 17.599 -0.031 -6.551 1.00 0.00 H new ATOM 0 HE2 MET A 26 16.224 -0.440 -5.497 1.00 0.00 H new ATOM 0 HE3 MET A 26 15.969 -0.208 -7.243 1.00 0.00 H new ATOM 403 N ARG A 27 14.416 4.584 -4.241 1.00 0.00 N ATOM 404 CA ARG A 27 15.389 5.714 -4.174 1.00 0.00 C ATOM 405 C ARG A 27 15.342 6.376 -2.793 1.00 0.00 C ATOM 406 O ARG A 27 16.237 7.104 -2.414 1.00 0.00 O ATOM 407 CB ARG A 27 15.041 6.740 -5.249 1.00 0.00 C ATOM 408 CG ARG A 27 13.835 7.544 -4.793 1.00 0.00 C ATOM 409 CD ARG A 27 13.234 8.300 -5.980 1.00 0.00 C ATOM 410 NE ARG A 27 13.184 9.760 -5.677 1.00 0.00 N ATOM 411 CZ ARG A 27 12.916 10.171 -4.466 1.00 0.00 C ATOM 412 NH1 ARG A 27 12.018 9.552 -3.750 1.00 0.00 N ATOM 413 NH2 ARG A 27 13.547 11.201 -3.973 1.00 0.00 N ATOM 0 H ARG A 27 13.659 4.703 -4.914 1.00 0.00 H new ATOM 0 HA ARG A 27 16.395 5.330 -4.342 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.889 7.401 -5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.824 6.238 -6.192 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.088 6.880 -4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.129 8.247 -4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.832 8.125 -6.874 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.231 7.928 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 27 13.360 10.439 -6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.525 8.747 -4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.809 9.873 -2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.249 11.685 -4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.338 11.522 -3.028 1.00 0.00 H new ATOM 427 N VAL A 28 14.310 6.130 -2.039 1.00 0.00 N ATOM 428 CA VAL A 28 14.214 6.748 -0.687 1.00 0.00 C ATOM 429 C VAL A 28 14.985 5.881 0.312 1.00 0.00 C ATOM 430 O VAL A 28 14.979 4.670 0.214 1.00 0.00 O ATOM 431 CB VAL A 28 12.740 6.833 -0.282 1.00 0.00 C ATOM 432 CG1 VAL A 28 12.057 5.505 -0.594 1.00 0.00 C ATOM 433 CG2 VAL A 28 12.618 7.132 1.217 1.00 0.00 C ATOM 0 H VAL A 28 13.528 5.528 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 28 14.642 7.751 -0.697 1.00 0.00 H new ATOM 0 HB VAL A 28 12.261 7.637 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.007 5.560 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.132 5.300 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.544 4.705 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.565 7.190 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.099 6.337 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.104 8.082 1.439 1.00 0.00 H new ATOM 443 N PRO A 29 15.630 6.534 1.241 1.00 0.00 N ATOM 444 CA PRO A 29 16.445 5.900 2.310 1.00 0.00 C ATOM 445 C PRO A 29 15.535 5.326 3.397 1.00 0.00 C ATOM 446 O PRO A 29 14.344 5.173 3.206 1.00 0.00 O ATOM 447 CB PRO A 29 17.323 7.015 2.874 1.00 0.00 C ATOM 448 CG PRO A 29 16.609 8.328 2.540 1.00 0.00 C ATOM 449 CD PRO A 29 15.648 8.017 1.384 1.00 0.00 C ATOM 0 HA PRO A 29 17.046 5.074 1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 29 17.450 6.904 3.951 1.00 0.00 H new ATOM 0 HB3 PRO A 29 18.318 6.989 2.431 1.00 0.00 H new ATOM 0 HG2 PRO A 29 16.065 8.706 3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 29 17.326 9.098 2.253 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.649 8.399 1.595 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.983 8.492 0.462 1.00 0.00 H new ATOM 457 N ARG A 30 16.083 5.002 4.536 1.00 0.00 N ATOM 458 CA ARG A 30 15.246 4.433 5.627 1.00 0.00 C ATOM 459 C ARG A 30 14.773 3.035 5.223 1.00 0.00 C ATOM 460 O ARG A 30 15.136 2.526 4.181 1.00 0.00 O ATOM 461 CB ARG A 30 14.032 5.335 5.862 1.00 0.00 C ATOM 462 CG ARG A 30 13.983 5.756 7.331 1.00 0.00 C ATOM 463 CD ARG A 30 14.875 6.981 7.543 1.00 0.00 C ATOM 464 NE ARG A 30 16.004 6.621 8.445 1.00 0.00 N ATOM 465 CZ ARG A 30 17.042 7.407 8.537 1.00 0.00 C ATOM 466 NH1 ARG A 30 17.697 7.751 7.463 1.00 0.00 N ATOM 467 NH2 ARG A 30 17.423 7.849 9.705 1.00 0.00 N ATOM 0 H ARG A 30 17.073 5.107 4.757 1.00 0.00 H new ATOM 0 HA ARG A 30 15.833 4.370 6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 30 14.091 6.216 5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 30 13.117 4.807 5.594 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.957 5.986 7.620 1.00 0.00 H new ATOM 0 HG3 ARG A 30 14.317 4.936 7.966 1.00 0.00 H new ATOM 0 HD2 ARG A 30 15.258 7.335 6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 30 14.295 7.796 7.976 1.00 0.00 H new ATOM 0 HE ARG A 30 15.966 5.760 8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 30 17.398 7.406 6.551 1.00 0.00 H new ATOM 0 HH12 ARG A 30 18.508 8.365 7.535 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.910 7.580 10.544 1.00 0.00 H new ATOM 0 HH22 ARG A 30 18.234 8.463 9.778 1.00 0.00 H new ATOM 481 N ASP A 31 13.969 2.409 6.036 1.00 0.00 N ATOM 482 CA ASP A 31 13.479 1.044 5.691 1.00 0.00 C ATOM 483 C ASP A 31 12.041 0.876 6.186 1.00 0.00 C ATOM 484 O ASP A 31 11.730 1.154 7.327 1.00 0.00 O ATOM 485 CB ASP A 31 14.373 -0.004 6.358 1.00 0.00 C ATOM 486 CG ASP A 31 13.861 -1.404 6.012 1.00 0.00 C ATOM 487 OD1 ASP A 31 13.342 -1.571 4.922 1.00 0.00 O ATOM 488 OD2 ASP A 31 13.999 -2.285 6.844 1.00 0.00 O ATOM 0 H ASP A 31 13.630 2.782 6.923 1.00 0.00 H new ATOM 0 HA ASP A 31 13.508 0.912 4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.403 0.112 6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.374 0.138 7.439 1.00 0.00 H new ATOM 493 N GLY A 32 11.163 0.421 5.335 1.00 0.00 N ATOM 494 CA GLY A 32 9.747 0.233 5.758 1.00 0.00 C ATOM 495 C GLY A 32 8.953 1.510 5.481 1.00 0.00 C ATOM 496 O GLY A 32 8.971 2.445 6.258 1.00 0.00 O ATOM 0 H GLY A 32 11.365 0.172 4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.305 -0.606 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.704 -0.011 6.820 1.00 0.00 H new ATOM 500 N ALA A 33 8.253 1.559 4.380 1.00 0.00 N ATOM 501 CA ALA A 33 7.456 2.778 4.058 1.00 0.00 C ATOM 502 C ALA A 33 6.199 2.374 3.287 1.00 0.00 C ATOM 503 O ALA A 33 6.272 1.776 2.231 1.00 0.00 O ATOM 504 CB ALA A 33 8.298 3.730 3.205 1.00 0.00 C ATOM 0 H ALA A 33 8.198 0.809 3.691 1.00 0.00 H new ATOM 0 HA ALA A 33 7.169 3.280 4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.715 4.620 2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.193 4.018 3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.587 3.231 2.280 1.00 0.00 H new ATOM 510 N PHE A 34 5.045 2.689 3.808 1.00 0.00 N ATOM 511 CA PHE A 34 3.785 2.313 3.104 1.00 0.00 C ATOM 512 C PHE A 34 3.350 3.437 2.160 1.00 0.00 C ATOM 513 O PHE A 34 3.241 4.582 2.551 1.00 0.00 O ATOM 514 CB PHE A 34 2.680 2.062 4.128 1.00 0.00 C ATOM 515 CG PHE A 34 2.345 3.351 4.842 1.00 0.00 C ATOM 516 CD1 PHE A 34 3.109 3.760 5.940 1.00 0.00 C ATOM 517 CD2 PHE A 34 1.269 4.134 4.407 1.00 0.00 C ATOM 518 CE1 PHE A 34 2.798 4.952 6.605 1.00 0.00 C ATOM 519 CE2 PHE A 34 0.958 5.326 5.070 1.00 0.00 C ATOM 520 CZ PHE A 34 1.722 5.735 6.170 1.00 0.00 C ATOM 0 H PHE A 34 4.919 3.189 4.688 1.00 0.00 H new ATOM 0 HA PHE A 34 3.964 1.407 2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.793 1.669 3.631 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.002 1.309 4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.939 3.156 6.275 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.679 3.818 3.559 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.388 5.267 7.453 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.129 5.931 4.734 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.481 6.654 6.683 1.00 0.00 H new ATOM 530 N LEU A 35 3.090 3.112 0.921 1.00 0.00 N ATOM 531 CA LEU A 35 2.651 4.150 -0.055 1.00 0.00 C ATOM 532 C LEU A 35 1.650 3.530 -1.035 1.00 0.00 C ATOM 533 O LEU A 35 1.764 2.380 -1.406 1.00 0.00 O ATOM 534 CB LEU A 35 3.865 4.668 -0.831 1.00 0.00 C ATOM 535 CG LEU A 35 4.527 5.806 -0.052 1.00 0.00 C ATOM 536 CD1 LEU A 35 6.041 5.754 -0.265 1.00 0.00 C ATOM 537 CD2 LEU A 35 3.988 7.148 -0.554 1.00 0.00 C ATOM 0 H LEU A 35 3.163 2.168 0.542 1.00 0.00 H new ATOM 0 HA LEU A 35 2.181 4.976 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.579 3.860 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.557 5.020 -1.816 1.00 0.00 H new ATOM 0 HG LEU A 35 4.304 5.699 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.514 6.564 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.426 4.798 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.263 5.863 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.459 7.960 0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.212 7.256 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.909 7.185 -0.405 1.00 0.00 H new ATOM 549 N VAL A 36 0.672 4.283 -1.463 1.00 0.00 N ATOM 550 CA VAL A 36 -0.328 3.732 -2.425 1.00 0.00 C ATOM 551 C VAL A 36 -0.067 4.322 -3.812 1.00 0.00 C ATOM 552 O VAL A 36 0.713 5.242 -3.963 1.00 0.00 O ATOM 553 CB VAL A 36 -1.739 4.105 -1.967 1.00 0.00 C ATOM 554 CG1 VAL A 36 -2.765 3.456 -2.896 1.00 0.00 C ATOM 555 CG2 VAL A 36 -1.957 3.603 -0.538 1.00 0.00 C ATOM 0 H VAL A 36 0.522 5.254 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.239 2.646 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.857 5.188 -1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.771 3.722 -2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.609 3.810 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.648 2.373 -2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.962 3.867 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.840 2.520 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.225 4.064 0.125 1.00 0.00 H new ATOM 565 N ARG A 37 -0.703 3.808 -4.833 1.00 0.00 N ATOM 566 CA ARG A 37 -0.465 4.362 -6.194 1.00 0.00 C ATOM 567 C ARG A 37 -1.559 3.882 -7.145 1.00 0.00 C ATOM 568 O ARG A 37 -2.294 2.960 -6.850 1.00 0.00 O ATOM 569 CB ARG A 37 0.899 3.892 -6.704 1.00 0.00 C ATOM 570 CG ARG A 37 0.934 2.364 -6.742 1.00 0.00 C ATOM 571 CD ARG A 37 1.828 1.904 -7.894 1.00 0.00 C ATOM 572 NE ARG A 37 1.465 2.654 -9.130 1.00 0.00 N ATOM 573 CZ ARG A 37 2.273 2.655 -10.155 1.00 0.00 C ATOM 574 NH1 ARG A 37 3.551 2.848 -9.975 1.00 0.00 N ATOM 575 NH2 ARG A 37 1.804 2.462 -11.356 1.00 0.00 N ATOM 0 H ARG A 37 -1.369 3.037 -4.782 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.481 5.451 -6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.085 4.295 -7.700 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.690 4.268 -6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.311 1.974 -5.797 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.074 1.969 -6.870 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.876 2.074 -7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.709 0.833 -8.057 1.00 0.00 H new ATOM 0 HE ARG A 37 0.584 3.167 -9.175 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.917 2.998 -9.035 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.184 2.849 -10.775 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.805 2.310 -11.495 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.436 2.463 -12.157 1.00 0.00 H new ATOM 589 N LYS A 38 -1.671 4.503 -8.285 1.00 0.00 N ATOM 590 CA LYS A 38 -2.717 4.089 -9.259 1.00 0.00 C ATOM 591 C LYS A 38 -2.053 3.427 -10.468 1.00 0.00 C ATOM 592 O LYS A 38 -0.875 3.592 -10.713 1.00 0.00 O ATOM 593 CB LYS A 38 -3.504 5.318 -9.716 1.00 0.00 C ATOM 594 CG LYS A 38 -4.827 5.391 -8.952 1.00 0.00 C ATOM 595 CD LYS A 38 -4.627 6.179 -7.655 1.00 0.00 C ATOM 596 CE LYS A 38 -4.585 5.211 -6.471 1.00 0.00 C ATOM 597 NZ LYS A 38 -5.686 5.535 -5.522 1.00 0.00 N ATOM 0 H LYS A 38 -1.082 5.280 -8.584 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.396 3.380 -8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.921 6.222 -9.541 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.694 5.263 -10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.588 5.871 -9.567 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.185 4.386 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.700 6.751 -7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.438 6.896 -7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.685 4.185 -6.824 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.622 5.281 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.843 4.729 -4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.428 6.374 -4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.558 5.729 -6.055 1.00 0.00 H new ATOM 611 N ARG A 39 -2.805 2.681 -11.225 1.00 0.00 N ATOM 612 CA ARG A 39 -2.226 2.004 -12.423 1.00 0.00 C ATOM 613 C ARG A 39 -2.974 2.466 -13.674 1.00 0.00 C ATOM 614 O ARG A 39 -3.533 3.545 -13.714 1.00 0.00 O ATOM 615 CB ARG A 39 -2.344 0.472 -12.304 1.00 0.00 C ATOM 616 CG ARG A 39 -2.265 0.015 -10.836 1.00 0.00 C ATOM 617 CD ARG A 39 -3.482 0.484 -10.015 1.00 0.00 C ATOM 618 NE ARG A 39 -4.679 0.696 -10.894 1.00 0.00 N ATOM 619 CZ ARG A 39 -5.851 0.889 -10.363 1.00 0.00 C ATOM 620 NH1 ARG A 39 -6.141 2.040 -9.819 1.00 0.00 N ATOM 621 NH2 ARG A 39 -6.736 -0.062 -10.394 1.00 0.00 N ATOM 0 H ARG A 39 -3.798 2.509 -11.068 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.171 2.268 -12.491 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.288 0.143 -12.739 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.547 -0.001 -12.877 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.201 -1.072 -10.799 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.352 0.404 -10.385 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.716 -0.257 -9.250 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.239 1.412 -9.497 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.574 0.689 -11.909 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.448 2.789 -9.810 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.060 2.190 -9.403 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.510 -0.955 -10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.656 0.084 -9.979 1.00 0.00 H new ATOM 635 N ASN A 40 -2.989 1.657 -14.699 1.00 0.00 N ATOM 636 CA ASN A 40 -3.701 2.051 -15.949 1.00 0.00 C ATOM 637 C ASN A 40 -4.911 1.138 -16.163 1.00 0.00 C ATOM 638 O ASN A 40 -5.267 0.813 -17.278 1.00 0.00 O ATOM 639 CB ASN A 40 -2.749 1.923 -17.140 1.00 0.00 C ATOM 640 CG ASN A 40 -1.385 2.508 -16.770 1.00 0.00 C ATOM 641 OD1 ASN A 40 -0.655 1.930 -15.988 1.00 0.00 O ATOM 642 ND2 ASN A 40 -1.007 3.638 -17.301 1.00 0.00 N ATOM 0 H ASN A 40 -2.540 0.742 -14.725 1.00 0.00 H new ATOM 0 HA ASN A 40 -4.039 3.084 -15.861 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.642 0.876 -17.423 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.158 2.446 -18.004 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.099 4.036 -17.060 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.619 4.123 -17.957 1.00 0.00 H new ATOM 649 N GLU A 41 -5.547 0.726 -15.102 1.00 0.00 N ATOM 650 CA GLU A 41 -6.737 -0.164 -15.241 1.00 0.00 C ATOM 651 C GLU A 41 -7.563 -0.101 -13.951 1.00 0.00 C ATOM 652 O GLU A 41 -7.014 -0.150 -12.872 1.00 0.00 O ATOM 653 CB GLU A 41 -6.274 -1.602 -15.481 1.00 0.00 C ATOM 654 CG GLU A 41 -5.876 -1.773 -16.949 1.00 0.00 C ATOM 655 CD GLU A 41 -5.848 -3.263 -17.299 1.00 0.00 C ATOM 656 OE1 GLU A 41 -5.029 -3.969 -16.735 1.00 0.00 O ATOM 657 OE2 GLU A 41 -6.647 -3.671 -18.127 1.00 0.00 O ATOM 0 H GLU A 41 -5.295 0.966 -14.143 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.345 0.164 -16.084 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.428 -1.835 -14.834 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.072 -2.299 -15.226 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.584 -1.251 -17.592 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.897 -1.328 -17.126 1.00 0.00 H new ATOM 664 N PRO A 42 -8.857 0.016 -14.107 1.00 0.00 N ATOM 665 CA PRO A 42 -9.844 0.103 -12.996 1.00 0.00 C ATOM 666 C PRO A 42 -10.191 -1.293 -12.472 1.00 0.00 C ATOM 667 O PRO A 42 -11.347 -1.659 -12.392 1.00 0.00 O ATOM 668 CB PRO A 42 -11.088 0.737 -13.609 1.00 0.00 C ATOM 669 CG PRO A 42 -11.016 0.444 -15.111 1.00 0.00 C ATOM 670 CD PRO A 42 -9.555 0.089 -15.420 1.00 0.00 C ATOM 0 HA PRO A 42 -9.450 0.679 -12.159 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.995 0.318 -13.173 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.111 1.811 -13.422 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.679 -0.379 -15.377 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.335 1.310 -15.690 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.489 -0.862 -15.949 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.099 0.843 -16.062 1.00 0.00 H new ATOM 678 N ASN A 43 -9.215 -2.079 -12.115 1.00 0.00 N ATOM 679 CA ASN A 43 -9.524 -3.443 -11.604 1.00 0.00 C ATOM 680 C ASN A 43 -8.805 -3.678 -10.271 1.00 0.00 C ATOM 681 O ASN A 43 -8.977 -4.701 -9.640 1.00 0.00 O ATOM 682 CB ASN A 43 -9.059 -4.487 -12.622 1.00 0.00 C ATOM 683 CG ASN A 43 -7.530 -4.511 -12.664 1.00 0.00 C ATOM 684 OD1 ASN A 43 -6.895 -3.477 -12.694 1.00 0.00 O ATOM 685 ND2 ASN A 43 -6.908 -5.658 -12.668 1.00 0.00 N ATOM 0 H ASN A 43 -8.224 -1.839 -12.154 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.600 -3.531 -11.452 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.442 -5.471 -12.351 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.457 -4.251 -13.609 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.889 -5.685 -12.696 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.441 -6.527 -12.643 1.00 0.00 H new ATOM 692 N SER A 44 -8.006 -2.735 -9.842 1.00 0.00 N ATOM 693 CA SER A 44 -7.269 -2.891 -8.550 1.00 0.00 C ATOM 694 C SER A 44 -6.147 -1.848 -8.457 1.00 0.00 C ATOM 695 O SER A 44 -5.257 -1.810 -9.282 1.00 0.00 O ATOM 696 CB SER A 44 -6.647 -4.290 -8.477 1.00 0.00 C ATOM 697 OG SER A 44 -6.154 -4.650 -9.760 1.00 0.00 O ATOM 0 H SER A 44 -7.831 -1.858 -10.333 1.00 0.00 H new ATOM 0 HA SER A 44 -7.970 -2.751 -7.727 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.838 -4.304 -7.747 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.390 -5.014 -8.143 1.00 0.00 H new ATOM 0 HG SER A 44 -5.676 -3.889 -10.152 1.00 0.00 H new ATOM 703 N TYR A 45 -6.172 -1.014 -7.448 1.00 0.00 N ATOM 704 CA TYR A 45 -5.093 0.015 -7.296 1.00 0.00 C ATOM 705 C TYR A 45 -3.780 -0.704 -6.980 1.00 0.00 C ATOM 706 O TYR A 45 -3.614 -1.860 -7.313 1.00 0.00 O ATOM 707 CB TYR A 45 -5.441 0.969 -6.146 1.00 0.00 C ATOM 708 CG TYR A 45 -6.938 1.194 -6.087 1.00 0.00 C ATOM 709 CD1 TYR A 45 -7.713 1.101 -7.250 1.00 0.00 C ATOM 710 CD2 TYR A 45 -7.548 1.501 -4.864 1.00 0.00 C ATOM 711 CE1 TYR A 45 -9.095 1.314 -7.189 1.00 0.00 C ATOM 712 CE2 TYR A 45 -8.931 1.713 -4.805 1.00 0.00 C ATOM 713 CZ TYR A 45 -9.704 1.620 -5.968 1.00 0.00 C ATOM 714 OH TYR A 45 -11.067 1.828 -5.909 1.00 0.00 O ATOM 0 H TYR A 45 -6.890 -0.999 -6.724 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.998 0.591 -8.217 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.091 0.554 -5.201 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.928 1.921 -6.286 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.244 0.865 -8.194 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.952 1.574 -3.967 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.692 1.242 -8.086 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.401 1.948 -3.862 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.448 1.295 -5.180 1.00 0.00 H new ATOM 724 N ALA A 46 -2.841 -0.050 -6.340 1.00 0.00 N ATOM 725 CA ALA A 46 -1.563 -0.749 -6.023 1.00 0.00 C ATOM 726 C ALA A 46 -0.886 -0.094 -4.820 1.00 0.00 C ATOM 727 O ALA A 46 -0.503 1.057 -4.859 1.00 0.00 O ATOM 728 CB ALA A 46 -0.631 -0.688 -7.235 1.00 0.00 C ATOM 0 H ALA A 46 -2.904 0.920 -6.030 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.779 -1.790 -5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.303 -1.199 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.108 -1.174 -8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.423 0.353 -7.482 1.00 0.00 H new ATOM 734 N ILE A 47 -0.730 -0.827 -3.751 1.00 0.00 N ATOM 735 CA ILE A 47 -0.073 -0.256 -2.544 1.00 0.00 C ATOM 736 C ILE A 47 1.434 -0.492 -2.639 1.00 0.00 C ATOM 737 O ILE A 47 1.929 -1.556 -2.324 1.00 0.00 O ATOM 738 CB ILE A 47 -0.619 -0.944 -1.292 1.00 0.00 C ATOM 739 CG1 ILE A 47 -2.146 -1.023 -1.378 1.00 0.00 C ATOM 740 CG2 ILE A 47 -0.221 -0.142 -0.052 1.00 0.00 C ATOM 741 CD1 ILE A 47 -2.646 -2.176 -0.506 1.00 0.00 C ATOM 0 H ILE A 47 -1.030 -1.798 -3.663 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.276 0.813 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.205 -1.950 -1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.589 -0.084 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.456 -1.174 -2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.611 -0.633 0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.866 -0.085 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.634 0.864 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.733 -2.233 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.213 -3.112 -0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.349 -2.005 0.529 1.00 0.00 H new ATOM 753 N SER A 48 2.167 0.493 -3.081 1.00 0.00 N ATOM 754 CA SER A 48 3.642 0.325 -3.207 1.00 0.00 C ATOM 755 C SER A 48 4.316 0.624 -1.866 1.00 0.00 C ATOM 756 O SER A 48 4.258 1.727 -1.362 1.00 0.00 O ATOM 757 CB SER A 48 4.173 1.289 -4.269 1.00 0.00 C ATOM 758 OG SER A 48 3.632 2.584 -4.040 1.00 0.00 O ATOM 0 H SER A 48 1.808 1.406 -3.360 1.00 0.00 H new ATOM 0 HA SER A 48 3.863 -0.702 -3.499 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.262 1.325 -4.232 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.899 0.939 -5.264 1.00 0.00 H new ATOM 0 HG SER A 48 3.519 2.726 -3.077 1.00 0.00 H new ATOM 764 N PHE A 49 4.963 -0.353 -1.292 1.00 0.00 N ATOM 765 CA PHE A 49 5.656 -0.131 0.008 1.00 0.00 C ATOM 766 C PHE A 49 6.974 -0.908 0.007 1.00 0.00 C ATOM 767 O PHE A 49 7.005 -2.100 -0.228 1.00 0.00 O ATOM 768 CB PHE A 49 4.762 -0.603 1.161 1.00 0.00 C ATOM 769 CG PHE A 49 4.752 -2.112 1.225 1.00 0.00 C ATOM 770 CD1 PHE A 49 3.820 -2.838 0.475 1.00 0.00 C ATOM 771 CD2 PHE A 49 5.671 -2.784 2.040 1.00 0.00 C ATOM 772 CE1 PHE A 49 3.808 -4.236 0.537 1.00 0.00 C ATOM 773 CE2 PHE A 49 5.658 -4.183 2.104 1.00 0.00 C ATOM 774 CZ PHE A 49 4.725 -4.908 1.352 1.00 0.00 C ATOM 0 H PHE A 49 5.042 -1.298 -1.669 1.00 0.00 H new ATOM 0 HA PHE A 49 5.862 0.931 0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.125 -0.194 2.104 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.747 -0.230 1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.110 -2.319 -0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.390 -2.224 2.619 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.091 -4.796 -0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.367 -4.702 2.732 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.714 -5.987 1.401 1.00 0.00 H new ATOM 784 N ARG A 50 8.068 -0.241 0.252 1.00 0.00 N ATOM 785 CA ARG A 50 9.383 -0.941 0.247 1.00 0.00 C ATOM 786 C ARG A 50 9.700 -1.463 1.649 1.00 0.00 C ATOM 787 O ARG A 50 9.187 -0.978 2.637 1.00 0.00 O ATOM 788 CB ARG A 50 10.476 0.035 -0.196 1.00 0.00 C ATOM 789 CG ARG A 50 10.674 1.109 0.879 1.00 0.00 C ATOM 790 CD ARG A 50 12.162 1.243 1.206 1.00 0.00 C ATOM 791 NE ARG A 50 12.776 -0.111 1.309 1.00 0.00 N ATOM 792 CZ ARG A 50 14.073 -0.243 1.280 1.00 0.00 C ATOM 793 NH1 ARG A 50 14.803 0.294 2.219 1.00 0.00 N ATOM 794 NH2 ARG A 50 14.641 -0.913 0.314 1.00 0.00 N ATOM 0 H ARG A 50 8.108 0.758 0.455 1.00 0.00 H new ATOM 0 HA ARG A 50 9.341 -1.782 -0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.410 -0.501 -0.365 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.200 0.500 -1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.281 2.064 0.529 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.117 0.845 1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.664 1.823 0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.291 1.784 2.143 1.00 0.00 H new ATOM 0 HE ARG A 50 12.182 -0.935 1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.359 0.816 2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.818 0.192 2.198 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.070 -1.334 -0.419 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.656 -1.016 0.292 1.00 0.00 H new ATOM 808 N ALA A 51 10.549 -2.450 1.740 1.00 0.00 N ATOM 809 CA ALA A 51 10.910 -3.010 3.071 1.00 0.00 C ATOM 810 C ALA A 51 12.149 -3.895 2.926 1.00 0.00 C ATOM 811 O ALA A 51 12.452 -4.381 1.854 1.00 0.00 O ATOM 812 CB ALA A 51 9.746 -3.844 3.608 1.00 0.00 C ATOM 0 H ALA A 51 11.010 -2.894 0.945 1.00 0.00 H new ATOM 0 HA ALA A 51 11.121 -2.196 3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.011 -4.254 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.862 -3.214 3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.534 -4.660 2.917 1.00 0.00 H new ATOM 818 N GLU A 52 12.871 -4.106 3.991 1.00 0.00 N ATOM 819 CA GLU A 52 14.091 -4.956 3.904 1.00 0.00 C ATOM 820 C GLU A 52 14.992 -4.431 2.782 1.00 0.00 C ATOM 821 O GLU A 52 15.047 -3.245 2.523 1.00 0.00 O ATOM 822 CB GLU A 52 13.686 -6.401 3.601 1.00 0.00 C ATOM 823 CG GLU A 52 12.393 -6.738 4.346 1.00 0.00 C ATOM 824 CD GLU A 52 12.418 -8.206 4.777 1.00 0.00 C ATOM 825 OE1 GLU A 52 13.495 -8.779 4.795 1.00 0.00 O ATOM 826 OE2 GLU A 52 11.360 -8.732 5.080 1.00 0.00 O ATOM 0 H GLU A 52 12.670 -3.727 4.916 1.00 0.00 H new ATOM 0 HA GLU A 52 14.629 -4.923 4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.544 -6.532 2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.480 -7.083 3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.286 -6.094 5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.532 -6.551 3.704 1.00 0.00 H new ATOM 833 N GLY A 53 15.697 -5.302 2.113 1.00 0.00 N ATOM 834 CA GLY A 53 16.590 -4.846 1.012 1.00 0.00 C ATOM 835 C GLY A 53 15.911 -5.100 -0.336 1.00 0.00 C ATOM 836 O GLY A 53 16.528 -5.559 -1.275 1.00 0.00 O ATOM 0 H GLY A 53 15.693 -6.308 2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 53 16.811 -3.785 1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 53 17.541 -5.377 1.058 1.00 0.00 H new ATOM 840 N LYS A 54 14.642 -4.804 -0.440 1.00 0.00 N ATOM 841 CA LYS A 54 13.930 -5.031 -1.729 1.00 0.00 C ATOM 842 C LYS A 54 12.600 -4.273 -1.724 1.00 0.00 C ATOM 843 O LYS A 54 12.047 -3.976 -0.683 1.00 0.00 O ATOM 844 CB LYS A 54 13.659 -6.526 -1.907 1.00 0.00 C ATOM 845 CG LYS A 54 12.844 -7.043 -0.720 1.00 0.00 C ATOM 846 CD LYS A 54 12.741 -8.567 -0.793 1.00 0.00 C ATOM 847 CE LYS A 54 13.106 -9.171 0.564 1.00 0.00 C ATOM 848 NZ LYS A 54 13.730 -10.509 0.361 1.00 0.00 N ATOM 0 H LYS A 54 14.070 -4.416 0.310 1.00 0.00 H new ATOM 0 HA LYS A 54 14.550 -4.671 -2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.117 -6.700 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.600 -7.071 -1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.317 -6.745 0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.848 -6.600 -0.729 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.729 -8.860 -1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.409 -8.950 -1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.795 -8.513 1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.214 -9.264 1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.978 -10.920 1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.058 -11.135 -0.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.590 -10.407 -0.215 1.00 0.00 H new ATOM 862 N ILE A 55 12.081 -3.963 -2.881 1.00 0.00 N ATOM 863 CA ILE A 55 10.784 -3.231 -2.947 1.00 0.00 C ATOM 864 C ILE A 55 9.635 -4.221 -2.761 1.00 0.00 C ATOM 865 O ILE A 55 9.723 -5.367 -3.156 1.00 0.00 O ATOM 866 CB ILE A 55 10.653 -2.554 -4.313 1.00 0.00 C ATOM 867 CG1 ILE A 55 11.717 -1.461 -4.446 1.00 0.00 C ATOM 868 CG2 ILE A 55 9.263 -1.928 -4.443 1.00 0.00 C ATOM 869 CD1 ILE A 55 11.365 -0.290 -3.526 1.00 0.00 C ATOM 0 H ILE A 55 12.500 -4.185 -3.784 1.00 0.00 H new ATOM 0 HA ILE A 55 10.749 -2.477 -2.160 1.00 0.00 H new ATOM 0 HB ILE A 55 10.793 -3.296 -5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.697 -1.860 -4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.776 -1.120 -5.480 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.171 -1.446 -5.416 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.504 -2.705 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.123 -1.187 -3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.123 0.488 -3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.393 0.114 -3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.329 -0.637 -2.493 1.00 0.00 H new ATOM 881 N LYS A 56 8.556 -3.795 -2.163 1.00 0.00 N ATOM 882 CA LYS A 56 7.409 -4.723 -1.959 1.00 0.00 C ATOM 883 C LYS A 56 6.112 -4.036 -2.388 1.00 0.00 C ATOM 884 O LYS A 56 5.387 -3.495 -1.577 1.00 0.00 O ATOM 885 CB LYS A 56 7.318 -5.105 -0.481 1.00 0.00 C ATOM 886 CG LYS A 56 6.693 -6.495 -0.352 1.00 0.00 C ATOM 887 CD LYS A 56 7.711 -7.555 -0.777 1.00 0.00 C ATOM 888 CE LYS A 56 7.472 -8.841 0.016 1.00 0.00 C ATOM 889 NZ LYS A 56 8.492 -9.857 -0.368 1.00 0.00 N ATOM 0 H LYS A 56 8.420 -2.848 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 56 7.559 -5.621 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.311 -5.097 -0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.717 -4.373 0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.379 -6.670 0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.800 -6.563 -0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.622 -7.752 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.724 -7.192 -0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.530 -8.638 1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.470 -9.222 -0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.330 -10.732 0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.416 -10.058 -1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.443 -9.491 -0.157 1.00 0.00 H new ATOM 903 N HIS A 57 5.810 -4.056 -3.656 1.00 0.00 N ATOM 904 CA HIS A 57 4.558 -3.406 -4.133 1.00 0.00 C ATOM 905 C HIS A 57 3.371 -4.326 -3.847 1.00 0.00 C ATOM 906 O HIS A 57 3.539 -5.485 -3.529 1.00 0.00 O ATOM 907 CB HIS A 57 4.656 -3.157 -5.640 1.00 0.00 C ATOM 908 CG HIS A 57 5.392 -1.869 -5.894 1.00 0.00 C ATOM 909 ND1 HIS A 57 5.739 -1.457 -7.170 1.00 0.00 N ATOM 910 CD2 HIS A 57 5.853 -0.892 -5.046 1.00 0.00 C ATOM 911 CE1 HIS A 57 6.378 -0.279 -7.056 1.00 0.00 C ATOM 912 NE2 HIS A 57 6.475 0.111 -5.783 1.00 0.00 N ATOM 0 H HIS A 57 6.376 -4.494 -4.383 1.00 0.00 H new ATOM 0 HA HIS A 57 4.419 -2.457 -3.616 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.175 -3.985 -6.122 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.658 -3.109 -6.076 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.545 -1.956 -8.038 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.749 -0.901 -3.971 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.766 0.283 -7.893 1.00 0.00 H new ATOM 920 N CYS A 58 2.174 -3.821 -3.964 1.00 0.00 N ATOM 921 CA CYS A 58 0.974 -4.669 -3.708 1.00 0.00 C ATOM 922 C CYS A 58 -0.168 -4.208 -4.616 1.00 0.00 C ATOM 923 O CYS A 58 -0.123 -3.135 -5.184 1.00 0.00 O ATOM 924 CB CYS A 58 0.548 -4.538 -2.244 1.00 0.00 C ATOM 925 SG CYS A 58 -0.678 -5.813 -1.858 1.00 0.00 S ATOM 0 H CYS A 58 1.974 -2.856 -4.226 1.00 0.00 H new ATOM 0 HA CYS A 58 1.214 -5.711 -3.917 1.00 0.00 H new ATOM 0 HB2 CYS A 58 1.415 -4.642 -1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.129 -3.548 -2.063 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.100 -6.977 -1.832 1.00 0.00 H new ATOM 931 N ARG A 59 -1.188 -5.008 -4.769 1.00 0.00 N ATOM 932 CA ARG A 59 -2.318 -4.601 -5.651 1.00 0.00 C ATOM 933 C ARG A 59 -3.652 -4.961 -4.995 1.00 0.00 C ATOM 934 O ARG A 59 -3.964 -6.118 -4.790 1.00 0.00 O ATOM 935 CB ARG A 59 -2.195 -5.319 -6.995 1.00 0.00 C ATOM 936 CG ARG A 59 -2.224 -4.289 -8.124 1.00 0.00 C ATOM 937 CD ARG A 59 -1.156 -4.636 -9.163 1.00 0.00 C ATOM 938 NE ARG A 59 -1.693 -5.656 -10.112 1.00 0.00 N ATOM 939 CZ ARG A 59 -2.484 -6.601 -9.682 1.00 0.00 C ATOM 940 NH1 ARG A 59 -3.769 -6.390 -9.598 1.00 0.00 N ATOM 941 NH2 ARG A 59 -1.990 -7.759 -9.337 1.00 0.00 N ATOM 0 H ARG A 59 -1.288 -5.920 -4.324 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.281 -3.523 -5.807 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.267 -5.889 -7.032 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.012 -6.031 -7.116 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.209 -4.274 -8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.046 -3.291 -7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.859 -3.739 -9.707 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.264 -5.019 -8.668 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.441 -5.614 -11.099 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.156 -5.486 -9.869 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.386 -7.129 -9.262 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.986 -7.925 -9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.608 -8.497 -9.001 1.00 0.00 H new ATOM 955 N VAL A 60 -4.447 -3.977 -4.675 1.00 0.00 N ATOM 956 CA VAL A 60 -5.769 -4.254 -4.044 1.00 0.00 C ATOM 957 C VAL A 60 -6.861 -4.128 -5.107 1.00 0.00 C ATOM 958 O VAL A 60 -6.820 -3.247 -5.943 1.00 0.00 O ATOM 959 CB VAL A 60 -6.026 -3.242 -2.926 1.00 0.00 C ATOM 960 CG1 VAL A 60 -7.466 -3.381 -2.431 1.00 0.00 C ATOM 961 CG2 VAL A 60 -5.061 -3.507 -1.767 1.00 0.00 C ATOM 0 H VAL A 60 -4.237 -2.990 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.774 -5.260 -3.625 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.869 -2.233 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.648 -2.660 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.154 -3.193 -3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.624 -4.390 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.243 -2.786 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.218 -4.516 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.034 -3.407 -2.118 1.00 0.00 H new ATOM 971 N GLN A 61 -7.829 -5.004 -5.091 1.00 0.00 N ATOM 972 CA GLN A 61 -8.910 -4.932 -6.115 1.00 0.00 C ATOM 973 C GLN A 61 -10.178 -4.336 -5.505 1.00 0.00 C ATOM 974 O GLN A 61 -10.302 -4.201 -4.304 1.00 0.00 O ATOM 975 CB GLN A 61 -9.207 -6.339 -6.639 1.00 0.00 C ATOM 976 CG GLN A 61 -7.895 -7.107 -6.807 1.00 0.00 C ATOM 977 CD GLN A 61 -7.902 -7.844 -8.148 1.00 0.00 C ATOM 978 OE1 GLN A 61 -8.434 -7.351 -9.123 1.00 0.00 O ATOM 979 NE2 GLN A 61 -7.330 -9.014 -8.240 1.00 0.00 N ATOM 0 H GLN A 61 -7.918 -5.763 -4.416 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.580 -4.295 -6.936 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.863 -6.866 -5.946 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.731 -6.280 -7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.051 -6.419 -6.763 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.770 -7.818 -5.990 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.883 -9.429 -7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.330 -9.513 -9.130 1.00 0.00 H new ATOM 988 N GLN A 62 -11.122 -3.975 -6.332 1.00 0.00 N ATOM 989 CA GLN A 62 -12.388 -3.384 -5.817 1.00 0.00 C ATOM 990 C GLN A 62 -13.506 -3.622 -6.835 1.00 0.00 C ATOM 991 O GLN A 62 -13.273 -3.664 -8.027 1.00 0.00 O ATOM 992 CB GLN A 62 -12.199 -1.882 -5.605 1.00 0.00 C ATOM 993 CG GLN A 62 -13.528 -1.252 -5.187 1.00 0.00 C ATOM 994 CD GLN A 62 -13.329 -0.447 -3.902 1.00 0.00 C ATOM 995 OE1 GLN A 62 -12.310 0.189 -3.721 1.00 0.00 O ATOM 996 NE2 GLN A 62 -14.269 -0.446 -2.996 1.00 0.00 N ATOM 0 H GLN A 62 -11.069 -4.065 -7.347 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.653 -3.852 -4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.444 -1.705 -4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.837 -1.418 -6.522 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.901 -0.604 -5.980 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.277 -2.028 -5.030 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -15.125 -0.980 -3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.148 0.089 -2.136 1.00 0.00 H new ATOM 1005 N GLU A 63 -14.718 -3.780 -6.378 1.00 0.00 N ATOM 1006 CA GLU A 63 -15.847 -4.016 -7.321 1.00 0.00 C ATOM 1007 C GLU A 63 -16.779 -2.804 -7.315 1.00 0.00 C ATOM 1008 O GLU A 63 -16.381 -1.703 -6.990 1.00 0.00 O ATOM 1009 CB GLU A 63 -16.622 -5.260 -6.882 1.00 0.00 C ATOM 1010 CG GLU A 63 -16.705 -6.248 -8.048 1.00 0.00 C ATOM 1011 CD GLU A 63 -18.136 -6.281 -8.588 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -18.987 -6.847 -7.921 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -18.358 -5.739 -9.658 1.00 0.00 O ATOM 0 H GLU A 63 -14.975 -3.756 -5.391 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.457 -4.166 -8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.128 -5.727 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.624 -4.981 -6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.014 -5.954 -8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.407 -7.243 -7.717 1.00 0.00 H new ATOM 1020 N GLY A 64 -18.020 -2.995 -7.673 1.00 0.00 N ATOM 1021 CA GLY A 64 -18.977 -1.853 -7.687 1.00 0.00 C ATOM 1022 C GLY A 64 -19.865 -1.907 -6.442 1.00 0.00 C ATOM 1023 O GLY A 64 -20.769 -1.112 -6.278 1.00 0.00 O ATOM 0 H GLY A 64 -18.412 -3.893 -7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.432 -0.910 -7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -19.592 -1.893 -8.586 1.00 0.00 H new ATOM 1027 N GLN A 65 -19.615 -2.837 -5.560 1.00 0.00 N ATOM 1028 CA GLN A 65 -20.446 -2.940 -4.328 1.00 0.00 C ATOM 1029 C GLN A 65 -19.532 -3.015 -3.103 1.00 0.00 C ATOM 1030 O GLN A 65 -19.655 -2.241 -2.174 1.00 0.00 O ATOM 1031 CB GLN A 65 -21.309 -4.201 -4.399 1.00 0.00 C ATOM 1032 CG GLN A 65 -22.458 -3.978 -5.384 1.00 0.00 C ATOM 1033 CD GLN A 65 -23.260 -2.747 -4.962 1.00 0.00 C ATOM 1034 OE1 GLN A 65 -23.257 -2.371 -3.808 1.00 0.00 O ATOM 1035 NE2 GLN A 65 -23.954 -2.097 -5.858 1.00 0.00 N ATOM 0 H GLN A 65 -18.871 -3.530 -5.640 1.00 0.00 H new ATOM 0 HA GLN A 65 -21.090 -2.064 -4.249 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.704 -5.051 -4.715 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.704 -4.441 -3.412 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -22.066 -3.842 -6.392 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -23.105 -4.855 -5.410 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -23.957 -2.412 -6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -24.493 -1.274 -5.587 1.00 0.00 H new ATOM 1044 N THR A 66 -18.613 -3.941 -3.094 1.00 0.00 N ATOM 1045 CA THR A 66 -17.688 -4.067 -1.936 1.00 0.00 C ATOM 1046 C THR A 66 -16.252 -4.109 -2.456 1.00 0.00 C ATOM 1047 O THR A 66 -16.021 -4.237 -3.639 1.00 0.00 O ATOM 1048 CB THR A 66 -17.995 -5.359 -1.180 1.00 0.00 C ATOM 1049 OG1 THR A 66 -19.274 -5.841 -1.566 1.00 0.00 O ATOM 1050 CG2 THR A 66 -17.980 -5.089 0.326 1.00 0.00 C ATOM 0 H THR A 66 -18.464 -4.618 -3.842 1.00 0.00 H new ATOM 0 HA THR A 66 -17.814 -3.218 -1.264 1.00 0.00 H new ATOM 0 HB THR A 66 -17.239 -6.107 -1.419 1.00 0.00 H new ATOM 0 HG1 THR A 66 -19.471 -6.671 -1.083 1.00 0.00 H new ATOM 0 HG21 THR A 66 -18.199 -6.012 0.863 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.996 -4.723 0.620 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.734 -4.340 0.569 1.00 0.00 H new ATOM 1058 N VAL A 67 -15.286 -4.000 -1.589 1.00 0.00 N ATOM 1059 CA VAL A 67 -13.872 -4.031 -2.056 1.00 0.00 C ATOM 1060 C VAL A 67 -13.266 -5.414 -1.787 1.00 0.00 C ATOM 1061 O VAL A 67 -13.929 -6.311 -1.304 1.00 0.00 O ATOM 1062 CB VAL A 67 -13.068 -2.944 -1.326 1.00 0.00 C ATOM 1063 CG1 VAL A 67 -12.587 -3.457 0.034 1.00 0.00 C ATOM 1064 CG2 VAL A 67 -11.857 -2.552 -2.176 1.00 0.00 C ATOM 0 H VAL A 67 -15.412 -3.891 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.838 -3.838 -3.128 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.710 -2.077 -1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.019 -2.675 0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.447 -3.731 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.951 -4.331 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.285 -1.781 -1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.226 -3.426 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.197 -2.169 -3.138 1.00 0.00 H new ATOM 1074 N MET A 68 -12.009 -5.583 -2.088 1.00 0.00 N ATOM 1075 CA MET A 68 -11.344 -6.891 -1.854 1.00 0.00 C ATOM 1076 C MET A 68 -9.854 -6.631 -1.680 1.00 0.00 C ATOM 1077 O MET A 68 -9.182 -6.186 -2.591 1.00 0.00 O ATOM 1078 CB MET A 68 -11.569 -7.813 -3.056 1.00 0.00 C ATOM 1079 CG MET A 68 -12.946 -7.539 -3.662 1.00 0.00 C ATOM 1080 SD MET A 68 -13.160 -8.549 -5.149 1.00 0.00 S ATOM 1081 CE MET A 68 -14.887 -8.120 -5.470 1.00 0.00 C ATOM 0 H MET A 68 -11.410 -4.862 -2.490 1.00 0.00 H new ATOM 0 HA MET A 68 -11.756 -7.372 -0.967 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.793 -7.649 -3.803 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.498 -8.856 -2.746 1.00 0.00 H new ATOM 0 HG2 MET A 68 -13.727 -7.769 -2.937 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.043 -6.482 -3.910 1.00 0.00 H new ATOM 0 HE1 MET A 68 -15.479 -9.031 -5.551 1.00 0.00 H new ATOM 0 HE2 MET A 68 -15.269 -7.511 -4.651 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.955 -7.559 -6.402 1.00 0.00 H new ATOM 1091 N LEU A 69 -9.333 -6.878 -0.517 1.00 0.00 N ATOM 1092 CA LEU A 69 -7.888 -6.612 -0.296 1.00 0.00 C ATOM 1093 C LEU A 69 -7.069 -7.857 -0.650 1.00 0.00 C ATOM 1094 O LEU A 69 -6.052 -7.769 -1.310 1.00 0.00 O ATOM 1095 CB LEU A 69 -7.677 -6.206 1.168 1.00 0.00 C ATOM 1096 CG LEU A 69 -6.232 -6.468 1.591 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -5.682 -5.227 2.293 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -6.198 -7.661 2.545 1.00 0.00 C ATOM 0 H LEU A 69 -9.839 -7.250 0.286 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.552 -5.798 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.915 -5.150 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.358 -6.766 1.809 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.621 -6.688 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.651 -5.408 2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.715 -4.378 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.287 -5.009 3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.170 -7.853 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.803 -7.441 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.597 -8.541 2.041 1.00 0.00 H new ATOM 1110 N GLY A 70 -7.493 -9.014 -0.227 1.00 0.00 N ATOM 1111 CA GLY A 70 -6.722 -10.246 -0.555 1.00 0.00 C ATOM 1112 C GLY A 70 -7.316 -11.439 0.191 1.00 0.00 C ATOM 1113 O GLY A 70 -7.497 -12.503 -0.366 1.00 0.00 O ATOM 0 H GLY A 70 -8.336 -9.161 0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.748 -10.427 -1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.676 -10.116 -0.278 1.00 0.00 H new ATOM 1117 N ASN A 71 -7.622 -11.270 1.446 1.00 0.00 N ATOM 1118 CA ASN A 71 -8.208 -12.395 2.223 1.00 0.00 C ATOM 1119 C ASN A 71 -9.729 -12.353 2.092 1.00 0.00 C ATOM 1120 O ASN A 71 -10.373 -13.364 1.898 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.815 -12.258 3.696 1.00 0.00 C ATOM 1122 CG ASN A 71 -7.852 -13.633 4.364 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -8.903 -14.110 4.743 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -6.740 -14.295 4.528 1.00 0.00 N ATOM 0 H ASN A 71 -7.492 -10.403 1.967 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.833 -13.343 1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.817 -11.829 3.779 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.498 -11.577 4.204 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.754 -15.212 4.974 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.857 -13.895 4.210 1.00 0.00 H new ATOM 1131 N SER A 72 -10.309 -11.189 2.193 1.00 0.00 N ATOM 1132 CA SER A 72 -11.788 -11.085 2.070 1.00 0.00 C ATOM 1133 C SER A 72 -12.166 -9.715 1.501 1.00 0.00 C ATOM 1134 O SER A 72 -11.317 -8.902 1.175 1.00 0.00 O ATOM 1135 CB SER A 72 -12.426 -11.257 3.449 1.00 0.00 C ATOM 1136 OG SER A 72 -11.853 -10.319 4.351 1.00 0.00 O ATOM 0 H SER A 72 -9.823 -10.307 2.355 1.00 0.00 H new ATOM 0 HA SER A 72 -12.149 -11.865 1.399 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.504 -11.106 3.385 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.267 -12.272 3.812 1.00 0.00 H new ATOM 0 HG SER A 72 -12.261 -10.425 5.236 1.00 0.00 H new ATOM 1142 N GLU A 73 -13.440 -9.451 1.385 1.00 0.00 N ATOM 1143 CA GLU A 73 -13.888 -8.139 0.848 1.00 0.00 C ATOM 1144 C GLU A 73 -14.097 -7.170 2.012 1.00 0.00 C ATOM 1145 O GLU A 73 -14.452 -7.568 3.103 1.00 0.00 O ATOM 1146 CB GLU A 73 -15.204 -8.318 0.089 1.00 0.00 C ATOM 1147 CG GLU A 73 -14.920 -8.929 -1.285 1.00 0.00 C ATOM 1148 CD GLU A 73 -15.602 -10.295 -1.388 1.00 0.00 C ATOM 1149 OE1 GLU A 73 -16.658 -10.454 -0.796 1.00 0.00 O ATOM 1150 OE2 GLU A 73 -15.058 -11.158 -2.055 1.00 0.00 O ATOM 0 H GLU A 73 -14.191 -10.092 1.641 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.133 -7.742 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.877 -8.963 0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.704 -7.356 -0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.286 -8.268 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.845 -9.035 -1.432 1.00 0.00 H new ATOM 1157 N PHE A 74 -13.877 -5.905 1.794 1.00 0.00 N ATOM 1158 CA PHE A 74 -14.061 -4.924 2.900 1.00 0.00 C ATOM 1159 C PHE A 74 -15.145 -3.915 2.520 1.00 0.00 C ATOM 1160 O PHE A 74 -15.825 -4.065 1.524 1.00 0.00 O ATOM 1161 CB PHE A 74 -12.742 -4.193 3.155 1.00 0.00 C ATOM 1162 CG PHE A 74 -11.926 -4.967 4.162 1.00 0.00 C ATOM 1163 CD1 PHE A 74 -12.492 -5.329 5.391 1.00 0.00 C ATOM 1164 CD2 PHE A 74 -10.607 -5.327 3.866 1.00 0.00 C ATOM 1165 CE1 PHE A 74 -11.736 -6.049 6.324 1.00 0.00 C ATOM 1166 CE2 PHE A 74 -9.850 -6.047 4.799 1.00 0.00 C ATOM 1167 CZ PHE A 74 -10.415 -6.408 6.028 1.00 0.00 C ATOM 0 H PHE A 74 -13.579 -5.508 0.903 1.00 0.00 H new ATOM 0 HA PHE A 74 -14.365 -5.450 3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -12.186 -4.088 2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -12.937 -3.186 3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -13.511 -5.053 5.619 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.172 -5.050 2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.172 -6.328 7.272 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.831 -6.323 4.570 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.832 -6.963 6.748 1.00 0.00 H new ATOM 1177 N ASP A 75 -15.314 -2.891 3.308 1.00 0.00 N ATOM 1178 CA ASP A 75 -16.356 -1.874 2.998 1.00 0.00 C ATOM 1179 C ASP A 75 -15.876 -0.980 1.852 1.00 0.00 C ATOM 1180 O ASP A 75 -16.667 -0.393 1.141 1.00 0.00 O ATOM 1181 CB ASP A 75 -16.615 -1.018 4.239 1.00 0.00 C ATOM 1182 CG ASP A 75 -17.464 -1.808 5.235 1.00 0.00 C ATOM 1183 OD1 ASP A 75 -16.889 -2.527 6.036 1.00 0.00 O ATOM 1184 OD2 ASP A 75 -18.677 -1.683 5.181 1.00 0.00 O ATOM 0 H ASP A 75 -14.774 -2.714 4.155 1.00 0.00 H new ATOM 0 HA ASP A 75 -17.277 -2.376 2.703 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -15.670 -0.730 4.699 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.127 -0.097 3.959 1.00 0.00 H new ATOM 1189 N SER A 76 -14.588 -0.872 1.670 1.00 0.00 N ATOM 1190 CA SER A 76 -14.058 -0.015 0.571 1.00 0.00 C ATOM 1191 C SER A 76 -12.551 0.157 0.753 1.00 0.00 C ATOM 1192 O SER A 76 -11.931 -0.540 1.531 1.00 0.00 O ATOM 1193 CB SER A 76 -14.733 1.357 0.618 1.00 0.00 C ATOM 1194 OG SER A 76 -15.173 1.618 1.944 1.00 0.00 O ATOM 0 H SER A 76 -13.880 -1.340 2.235 1.00 0.00 H new ATOM 0 HA SER A 76 -14.264 -0.486 -0.390 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.035 2.130 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 76 -15.578 1.383 -0.070 1.00 0.00 H new ATOM 0 HG SER A 76 -15.605 2.497 1.978 1.00 0.00 H new ATOM 1200 N LEU A 77 -11.953 1.079 0.048 1.00 0.00 N ATOM 1201 CA LEU A 77 -10.486 1.288 0.194 1.00 0.00 C ATOM 1202 C LEU A 77 -10.219 2.105 1.459 1.00 0.00 C ATOM 1203 O LEU A 77 -9.130 2.099 1.997 1.00 0.00 O ATOM 1204 CB LEU A 77 -9.951 2.042 -1.025 1.00 0.00 C ATOM 1205 CG LEU A 77 -8.437 1.843 -1.121 1.00 0.00 C ATOM 1206 CD1 LEU A 77 -8.139 0.486 -1.762 1.00 0.00 C ATOM 1207 CD2 LEU A 77 -7.829 2.955 -1.979 1.00 0.00 C ATOM 0 H LEU A 77 -12.416 1.694 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.984 0.323 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.435 1.679 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.185 3.103 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.004 1.876 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.060 0.345 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.571 -0.307 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.573 0.452 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.750 2.813 -2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.263 2.922 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.040 3.923 -1.523 1.00 0.00 H new ATOM 1219 N VAL A 78 -11.208 2.808 1.941 1.00 0.00 N ATOM 1220 CA VAL A 78 -11.013 3.623 3.172 1.00 0.00 C ATOM 1221 C VAL A 78 -11.071 2.709 4.398 1.00 0.00 C ATOM 1222 O VAL A 78 -10.096 2.540 5.103 1.00 0.00 O ATOM 1223 CB VAL A 78 -12.115 4.678 3.268 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -11.731 5.722 4.317 1.00 0.00 C ATOM 1225 CG2 VAL A 78 -12.287 5.360 1.909 1.00 0.00 C ATOM 0 H VAL A 78 -12.143 2.853 1.535 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.043 4.118 3.131 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.051 4.201 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.516 6.475 4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.608 5.237 5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.795 6.200 4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.073 6.113 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.351 5.838 1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.560 4.616 1.161 1.00 0.00 H new ATOM 1235 N ASP A 79 -12.206 2.116 4.656 1.00 0.00 N ATOM 1236 CA ASP A 79 -12.318 1.210 5.833 1.00 0.00 C ATOM 1237 C ASP A 79 -11.172 0.199 5.793 1.00 0.00 C ATOM 1238 O ASP A 79 -10.709 -0.278 6.812 1.00 0.00 O ATOM 1239 CB ASP A 79 -13.656 0.469 5.787 1.00 0.00 C ATOM 1240 CG ASP A 79 -14.618 1.089 6.801 1.00 0.00 C ATOM 1241 OD1 ASP A 79 -14.354 0.974 7.986 1.00 0.00 O ATOM 1242 OD2 ASP A 79 -15.604 1.667 6.375 1.00 0.00 O ATOM 0 H ASP A 79 -13.057 2.220 4.104 1.00 0.00 H new ATOM 0 HA ASP A 79 -12.264 1.793 6.752 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.081 0.526 4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.507 -0.587 6.010 1.00 0.00 H new ATOM 1247 N LEU A 80 -10.701 -0.120 4.617 1.00 0.00 N ATOM 1248 CA LEU A 80 -9.577 -1.089 4.503 1.00 0.00 C ATOM 1249 C LEU A 80 -8.365 -0.512 5.230 1.00 0.00 C ATOM 1250 O LEU A 80 -7.858 -1.090 6.168 1.00 0.00 O ATOM 1251 CB LEU A 80 -9.232 -1.300 3.026 1.00 0.00 C ATOM 1252 CG LEU A 80 -9.258 -2.794 2.690 1.00 0.00 C ATOM 1253 CD1 LEU A 80 -8.748 -2.997 1.263 1.00 0.00 C ATOM 1254 CD2 LEU A 80 -8.356 -3.553 3.666 1.00 0.00 C ATOM 0 H LEU A 80 -11.047 0.249 3.732 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.860 -2.045 4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.944 -0.765 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.246 -0.888 2.812 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.278 -3.170 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.764 -4.059 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.388 -2.455 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.727 -2.622 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.375 -4.616 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.335 -3.180 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.715 -3.404 4.684 1.00 0.00 H new ATOM 1266 N ILE A 81 -7.904 0.633 4.806 1.00 0.00 N ATOM 1267 CA ILE A 81 -6.730 1.261 5.470 1.00 0.00 C ATOM 1268 C ILE A 81 -7.045 1.464 6.960 1.00 0.00 C ATOM 1269 O ILE A 81 -6.161 1.666 7.770 1.00 0.00 O ATOM 1270 CB ILE A 81 -6.422 2.604 4.769 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -5.068 2.499 4.061 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -6.370 3.765 5.773 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -5.259 1.849 2.689 1.00 0.00 C ATOM 0 H ILE A 81 -8.293 1.161 4.025 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.851 0.621 5.393 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.219 2.805 4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.627 3.489 3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.376 1.909 4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.151 4.693 5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.332 3.853 6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.590 3.574 6.510 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.296 1.774 2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.682 0.852 2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.936 2.457 2.089 1.00 0.00 H new ATOM 1285 N SER A 82 -8.298 1.413 7.323 1.00 0.00 N ATOM 1286 CA SER A 82 -8.671 1.606 8.753 1.00 0.00 C ATOM 1287 C SER A 82 -8.171 0.421 9.583 1.00 0.00 C ATOM 1288 O SER A 82 -7.283 0.556 10.400 1.00 0.00 O ATOM 1289 CB SER A 82 -10.191 1.707 8.872 1.00 0.00 C ATOM 1290 OG SER A 82 -10.525 2.821 9.690 1.00 0.00 O ATOM 0 H SER A 82 -9.080 1.246 6.690 1.00 0.00 H new ATOM 0 HA SER A 82 -8.214 2.523 9.125 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.638 1.819 7.884 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.595 0.791 9.302 1.00 0.00 H new ATOM 0 HG SER A 82 -11.500 2.890 9.767 1.00 0.00 H new ATOM 1296 N TYR A 83 -8.733 -0.740 9.381 1.00 0.00 N ATOM 1297 CA TYR A 83 -8.278 -1.928 10.166 1.00 0.00 C ATOM 1298 C TYR A 83 -7.037 -2.535 9.505 1.00 0.00 C ATOM 1299 O TYR A 83 -6.531 -3.556 9.928 1.00 0.00 O ATOM 1300 CB TYR A 83 -9.390 -2.986 10.237 1.00 0.00 C ATOM 1301 CG TYR A 83 -10.245 -2.931 8.994 1.00 0.00 C ATOM 1302 CD1 TYR A 83 -9.805 -3.538 7.813 1.00 0.00 C ATOM 1303 CD2 TYR A 83 -11.477 -2.269 9.025 1.00 0.00 C ATOM 1304 CE1 TYR A 83 -10.600 -3.483 6.661 1.00 0.00 C ATOM 1305 CE2 TYR A 83 -12.271 -2.213 7.875 1.00 0.00 C ATOM 1306 CZ TYR A 83 -11.832 -2.820 6.693 1.00 0.00 C ATOM 1307 OH TYR A 83 -12.616 -2.765 5.560 1.00 0.00 O ATOM 0 H TYR A 83 -9.482 -0.919 8.712 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.036 -1.605 11.179 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -8.951 -3.978 10.341 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.007 -2.816 11.119 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.854 -4.048 7.789 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -11.815 -1.801 9.938 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -10.262 -3.952 5.749 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -13.222 -1.702 7.899 1.00 0.00 H new ATOM 0 HH TYR A 83 -12.909 -3.669 5.321 1.00 0.00 H new ATOM 1317 N TYR A 84 -6.535 -1.906 8.478 1.00 0.00 N ATOM 1318 CA TYR A 84 -5.323 -2.434 7.792 1.00 0.00 C ATOM 1319 C TYR A 84 -4.083 -1.805 8.431 1.00 0.00 C ATOM 1320 O TYR A 84 -3.054 -2.435 8.576 1.00 0.00 O ATOM 1321 CB TYR A 84 -5.395 -2.071 6.306 1.00 0.00 C ATOM 1322 CG TYR A 84 -4.089 -2.389 5.618 1.00 0.00 C ATOM 1323 CD1 TYR A 84 -3.244 -3.380 6.128 1.00 0.00 C ATOM 1324 CD2 TYR A 84 -3.727 -1.689 4.461 1.00 0.00 C ATOM 1325 CE1 TYR A 84 -2.035 -3.668 5.485 1.00 0.00 C ATOM 1326 CE2 TYR A 84 -2.521 -1.978 3.817 1.00 0.00 C ATOM 1327 CZ TYR A 84 -1.673 -2.966 4.327 1.00 0.00 C ATOM 1328 OH TYR A 84 -0.482 -3.249 3.691 1.00 0.00 O ATOM 0 H TYR A 84 -6.914 -1.045 8.083 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.268 -3.518 7.892 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.206 -2.622 5.830 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.622 -1.011 6.196 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.525 -3.923 7.018 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.380 -0.925 4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.381 -4.431 5.881 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.243 -1.438 2.924 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.379 -2.662 2.913 1.00 0.00 H new ATOM 1338 N GLU A 85 -4.175 -0.568 8.836 1.00 0.00 N ATOM 1339 CA GLU A 85 -3.003 0.087 9.477 1.00 0.00 C ATOM 1340 C GLU A 85 -2.682 -0.641 10.784 1.00 0.00 C ATOM 1341 O GLU A 85 -1.636 -0.449 11.373 1.00 0.00 O ATOM 1342 CB GLU A 85 -3.334 1.552 9.775 1.00 0.00 C ATOM 1343 CG GLU A 85 -4.598 1.626 10.634 1.00 0.00 C ATOM 1344 CD GLU A 85 -4.419 2.691 11.717 1.00 0.00 C ATOM 1345 OE1 GLU A 85 -3.303 2.851 12.185 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -5.400 3.329 12.060 1.00 0.00 O ATOM 0 H GLU A 85 -5.008 0.014 8.751 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.143 0.043 8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.501 2.026 10.294 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.482 2.099 8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.460 1.867 10.011 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.796 0.657 11.092 1.00 0.00 H new ATOM 1353 N LYS A 86 -3.572 -1.483 11.235 1.00 0.00 N ATOM 1354 CA LYS A 86 -3.321 -2.234 12.494 1.00 0.00 C ATOM 1355 C LYS A 86 -2.986 -3.688 12.153 1.00 0.00 C ATOM 1356 O LYS A 86 -2.130 -4.297 12.763 1.00 0.00 O ATOM 1357 CB LYS A 86 -4.572 -2.189 13.374 1.00 0.00 C ATOM 1358 CG LYS A 86 -4.233 -2.716 14.770 1.00 0.00 C ATOM 1359 CD LYS A 86 -5.342 -2.324 15.748 1.00 0.00 C ATOM 1360 CE LYS A 86 -4.745 -2.132 17.143 1.00 0.00 C ATOM 1361 NZ LYS A 86 -4.185 -3.427 17.624 1.00 0.00 N ATOM 0 H LYS A 86 -4.464 -1.682 10.783 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.487 -1.782 13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.946 -1.167 13.440 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.364 -2.791 12.929 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.123 -3.800 14.744 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.279 -2.307 15.103 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.825 -1.405 15.418 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.110 -3.097 15.772 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.963 -1.373 17.115 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.510 -1.776 17.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.949 -3.349 18.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.889 -4.181 17.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.326 -3.656 17.084 1.00 0.00 H new ATOM 1375 N HIS A 87 -3.653 -4.247 11.179 1.00 0.00 N ATOM 1376 CA HIS A 87 -3.369 -5.660 10.796 1.00 0.00 C ATOM 1377 C HIS A 87 -2.281 -5.688 9.721 1.00 0.00 C ATOM 1378 O HIS A 87 -1.996 -4.683 9.099 1.00 0.00 O ATOM 1379 CB HIS A 87 -4.642 -6.306 10.246 1.00 0.00 C ATOM 1380 CG HIS A 87 -5.014 -7.488 11.100 1.00 0.00 C ATOM 1381 ND1 HIS A 87 -5.145 -8.765 10.577 1.00 0.00 N ATOM 1382 CD2 HIS A 87 -5.285 -7.601 12.441 1.00 0.00 C ATOM 1383 CE1 HIS A 87 -5.481 -9.585 11.590 1.00 0.00 C ATOM 1384 NE2 HIS A 87 -5.579 -8.926 12.748 1.00 0.00 N ATOM 0 H HIS A 87 -4.381 -3.787 10.633 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.030 -6.212 11.673 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.456 -5.581 10.236 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.485 -6.624 9.215 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.272 -6.786 13.150 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.651 -10.646 11.480 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -5.818 -9.312 13.662 1.00 0.00 H new ATOM 1392 N PRO A 88 -1.705 -6.845 9.538 1.00 0.00 N ATOM 1393 CA PRO A 88 -0.627 -7.111 8.551 1.00 0.00 C ATOM 1394 C PRO A 88 -1.224 -7.282 7.153 1.00 0.00 C ATOM 1395 O PRO A 88 -2.354 -7.700 6.997 1.00 0.00 O ATOM 1396 CB PRO A 88 0.038 -8.406 9.010 1.00 0.00 C ATOM 1397 CG PRO A 88 -1.003 -9.139 9.865 1.00 0.00 C ATOM 1398 CD PRO A 88 -2.037 -8.088 10.290 1.00 0.00 C ATOM 0 HA PRO A 88 0.088 -6.290 8.497 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.339 -9.013 8.156 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.939 -8.198 9.587 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.476 -9.941 9.298 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.536 -9.598 10.736 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.048 -8.423 10.060 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.995 -7.914 11.365 1.00 0.00 H new ATOM 1406 N LEU A 89 -0.474 -6.963 6.133 1.00 0.00 N ATOM 1407 CA LEU A 89 -1.000 -7.107 4.747 1.00 0.00 C ATOM 1408 C LEU A 89 -0.297 -8.286 4.066 1.00 0.00 C ATOM 1409 O LEU A 89 -0.930 -9.138 3.483 1.00 0.00 O ATOM 1410 CB LEU A 89 -0.776 -5.777 3.988 1.00 0.00 C ATOM 1411 CG LEU A 89 -0.144 -5.983 2.600 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -0.764 -4.992 1.614 1.00 0.00 C ATOM 1413 CD2 LEU A 89 1.363 -5.724 2.683 1.00 0.00 C ATOM 0 H LEU A 89 0.480 -6.609 6.200 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.070 -7.316 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.731 -5.263 3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.133 -5.128 4.583 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.324 -7.005 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.320 -5.133 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.839 -5.162 1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.575 -3.974 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.812 -5.870 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.539 -4.700 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.813 -6.417 3.394 1.00 0.00 H new ATOM 1425 N TYR A 90 1.001 -8.344 4.136 1.00 0.00 N ATOM 1426 CA TYR A 90 1.726 -9.472 3.489 1.00 0.00 C ATOM 1427 C TYR A 90 2.250 -10.415 4.573 1.00 0.00 C ATOM 1428 O TYR A 90 1.629 -10.593 5.602 1.00 0.00 O ATOM 1429 CB TYR A 90 2.880 -8.910 2.649 1.00 0.00 C ATOM 1430 CG TYR A 90 3.246 -9.879 1.545 1.00 0.00 C ATOM 1431 CD1 TYR A 90 2.243 -10.531 0.814 1.00 0.00 C ATOM 1432 CD2 TYR A 90 4.593 -10.128 1.255 1.00 0.00 C ATOM 1433 CE1 TYR A 90 2.590 -11.428 -0.204 1.00 0.00 C ATOM 1434 CE2 TYR A 90 4.938 -11.025 0.238 1.00 0.00 C ATOM 1435 CZ TYR A 90 3.937 -11.675 -0.491 1.00 0.00 C ATOM 1436 OH TYR A 90 4.277 -12.559 -1.496 1.00 0.00 O ATOM 0 H TYR A 90 1.591 -7.662 4.612 1.00 0.00 H new ATOM 0 HA TYR A 90 1.057 -10.030 2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.593 -7.950 2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.747 -8.728 3.285 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.203 -10.342 1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.367 -9.627 1.817 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.817 -11.929 -0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.978 -11.215 0.016 1.00 0.00 H new ATOM 0 HH TYR A 90 5.253 -12.615 -1.566 1.00 0.00 H new ATOM 1446 N ARG A 91 3.373 -11.033 4.354 1.00 0.00 N ATOM 1447 CA ARG A 91 3.913 -11.976 5.374 1.00 0.00 C ATOM 1448 C ARG A 91 4.256 -11.217 6.659 1.00 0.00 C ATOM 1449 O ARG A 91 4.323 -11.794 7.726 1.00 0.00 O ATOM 1450 CB ARG A 91 5.174 -12.649 4.829 1.00 0.00 C ATOM 1451 CG ARG A 91 5.193 -14.116 5.259 1.00 0.00 C ATOM 1452 CD ARG A 91 4.103 -14.881 4.508 1.00 0.00 C ATOM 1453 NE ARG A 91 4.707 -15.597 3.349 1.00 0.00 N ATOM 1454 CZ ARG A 91 4.040 -16.542 2.745 1.00 0.00 C ATOM 1455 NH1 ARG A 91 4.050 -17.756 3.222 1.00 0.00 N ATOM 1456 NH2 ARG A 91 3.362 -16.271 1.663 1.00 0.00 N ATOM 0 H ARG A 91 3.942 -10.928 3.514 1.00 0.00 H new ATOM 0 HA ARG A 91 3.160 -12.732 5.595 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.197 -12.577 3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.062 -12.138 5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.169 -14.554 5.051 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.031 -14.193 6.334 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.617 -15.593 5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.333 -14.192 4.162 1.00 0.00 H new ATOM 0 HE ARG A 91 5.643 -15.348 3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.579 -17.967 4.068 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.528 -18.494 2.749 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.354 -15.321 1.291 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.840 -17.009 1.190 1.00 0.00 H new ATOM 1470 N LYS A 92 4.475 -9.932 6.574 1.00 0.00 N ATOM 1471 CA LYS A 92 4.811 -9.161 7.803 1.00 0.00 C ATOM 1472 C LYS A 92 4.662 -7.662 7.537 1.00 0.00 C ATOM 1473 O LYS A 92 3.951 -6.967 8.234 1.00 0.00 O ATOM 1474 CB LYS A 92 6.252 -9.468 8.220 1.00 0.00 C ATOM 1475 CG LYS A 92 7.169 -9.398 6.997 1.00 0.00 C ATOM 1476 CD LYS A 92 8.335 -10.371 7.176 1.00 0.00 C ATOM 1477 CE LYS A 92 7.825 -11.808 7.038 1.00 0.00 C ATOM 1478 NZ LYS A 92 8.228 -12.594 8.238 1.00 0.00 N ATOM 0 H LYS A 92 4.436 -9.387 5.713 1.00 0.00 H new ATOM 0 HA LYS A 92 4.130 -9.449 8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.582 -8.755 8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.307 -10.459 8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.609 -9.647 6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.545 -8.383 6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.105 -10.174 6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.794 -10.229 8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.740 -11.812 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.233 -12.265 6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.882 -13.570 8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.265 -12.600 8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.818 -12.161 9.090 1.00 0.00 H new ATOM 1492 N MET A 93 5.327 -7.152 6.535 1.00 0.00 N ATOM 1493 CA MET A 93 5.219 -5.697 6.236 1.00 0.00 C ATOM 1494 C MET A 93 3.745 -5.311 6.097 1.00 0.00 C ATOM 1495 O MET A 93 2.894 -6.149 5.868 1.00 0.00 O ATOM 1496 CB MET A 93 5.954 -5.390 4.931 1.00 0.00 C ATOM 1497 CG MET A 93 7.463 -5.395 5.184 1.00 0.00 C ATOM 1498 SD MET A 93 7.884 -4.074 6.347 1.00 0.00 S ATOM 1499 CE MET A 93 8.359 -5.136 7.734 1.00 0.00 C ATOM 0 H MET A 93 5.939 -7.680 5.912 1.00 0.00 H new ATOM 0 HA MET A 93 5.667 -5.125 7.048 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.699 -6.131 4.174 1.00 0.00 H new ATOM 0 HB3 MET A 93 5.642 -4.420 4.545 1.00 0.00 H new ATOM 0 HG2 MET A 93 7.772 -6.360 5.586 1.00 0.00 H new ATOM 0 HG3 MET A 93 8.000 -5.253 4.246 1.00 0.00 H new ATOM 0 HE1 MET A 93 9.065 -4.606 8.373 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.473 -5.398 8.312 1.00 0.00 H new ATOM 0 HE3 MET A 93 8.825 -6.045 7.353 1.00 0.00 H new ATOM 1509 N LYS A 94 3.434 -4.051 6.233 1.00 0.00 N ATOM 1510 CA LYS A 94 2.014 -3.619 6.107 1.00 0.00 C ATOM 1511 C LYS A 94 1.973 -2.164 5.642 1.00 0.00 C ATOM 1512 O LYS A 94 2.995 -1.552 5.401 1.00 0.00 O ATOM 1513 CB LYS A 94 1.313 -3.733 7.466 1.00 0.00 C ATOM 1514 CG LYS A 94 1.999 -4.801 8.324 1.00 0.00 C ATOM 1515 CD LYS A 94 1.496 -4.693 9.765 1.00 0.00 C ATOM 1516 CE LYS A 94 1.632 -6.050 10.458 1.00 0.00 C ATOM 1517 NZ LYS A 94 2.102 -5.848 11.857 1.00 0.00 N ATOM 0 H LYS A 94 4.101 -3.303 6.426 1.00 0.00 H new ATOM 0 HA LYS A 94 1.505 -4.257 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.339 -2.772 7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.263 -3.990 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.788 -5.794 7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.081 -4.669 8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.068 -3.938 10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.455 -4.371 9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.673 -6.569 10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.336 -6.679 9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.195 -6.770 12.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.025 -5.370 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.414 -5.263 12.373 1.00 0.00 H new ATOM 1531 N LEU A 95 0.804 -1.598 5.522 1.00 0.00 N ATOM 1532 CA LEU A 95 0.702 -0.190 5.087 1.00 0.00 C ATOM 1533 C LEU A 95 0.742 0.706 6.327 1.00 0.00 C ATOM 1534 O LEU A 95 -0.002 1.657 6.451 1.00 0.00 O ATOM 1535 CB LEU A 95 -0.617 0.006 4.339 1.00 0.00 C ATOM 1536 CG LEU A 95 -0.727 1.457 3.902 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -0.702 1.539 2.374 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -2.034 2.055 4.427 1.00 0.00 C ATOM 0 H LEU A 95 -0.086 -2.059 5.709 1.00 0.00 H new ATOM 0 HA LEU A 95 1.528 0.068 4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.659 -0.653 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.457 -0.258 4.981 1.00 0.00 H new ATOM 0 HG LEU A 95 0.115 2.019 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.781 2.581 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.233 1.120 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.540 0.974 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.110 3.096 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.878 1.492 4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.046 2.004 5.516 1.00 0.00 H new ATOM 1550 N ARG A 96 1.604 0.396 7.255 1.00 0.00 N ATOM 1551 CA ARG A 96 1.691 1.218 8.491 1.00 0.00 C ATOM 1552 C ARG A 96 3.158 1.411 8.882 1.00 0.00 C ATOM 1553 O ARG A 96 3.488 1.476 10.048 1.00 0.00 O ATOM 1554 CB ARG A 96 0.951 0.510 9.628 1.00 0.00 C ATOM 1555 CG ARG A 96 0.609 1.521 10.724 1.00 0.00 C ATOM 1556 CD ARG A 96 1.490 1.266 11.948 1.00 0.00 C ATOM 1557 NE ARG A 96 0.688 1.469 13.188 1.00 0.00 N ATOM 1558 CZ ARG A 96 1.135 1.031 14.334 1.00 0.00 C ATOM 1559 NH1 ARG A 96 1.720 -0.134 14.406 1.00 0.00 N ATOM 1560 NH2 ARG A 96 0.999 1.759 15.409 1.00 0.00 N ATOM 0 H ARG A 96 2.251 -0.391 7.210 1.00 0.00 H new ATOM 0 HA ARG A 96 1.235 2.191 8.308 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.040 0.046 9.250 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.570 -0.289 10.036 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.763 2.536 10.358 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.443 1.436 10.996 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.885 0.251 11.920 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.346 1.941 11.941 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.210 1.950 13.141 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.828 -0.703 13.566 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.069 -0.475 15.302 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.544 2.670 15.354 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.348 1.417 16.304 1.00 0.00 H new ATOM 1574 N TYR A 97 4.039 1.501 7.920 1.00 0.00 N ATOM 1575 CA TYR A 97 5.481 1.695 8.248 1.00 0.00 C ATOM 1576 C TYR A 97 5.880 3.144 7.945 1.00 0.00 C ATOM 1577 O TYR A 97 6.029 3.515 6.796 1.00 0.00 O ATOM 1578 CB TYR A 97 6.326 0.746 7.396 1.00 0.00 C ATOM 1579 CG TYR A 97 6.837 -0.385 8.256 1.00 0.00 C ATOM 1580 CD1 TYR A 97 8.057 -0.255 8.929 1.00 0.00 C ATOM 1581 CD2 TYR A 97 6.090 -1.563 8.380 1.00 0.00 C ATOM 1582 CE1 TYR A 97 8.531 -1.303 9.727 1.00 0.00 C ATOM 1583 CE2 TYR A 97 6.564 -2.611 9.179 1.00 0.00 C ATOM 1584 CZ TYR A 97 7.785 -2.481 9.851 1.00 0.00 C ATOM 1585 OH TYR A 97 8.253 -3.515 10.638 1.00 0.00 O ATOM 0 H TYR A 97 3.823 1.449 6.925 1.00 0.00 H new ATOM 0 HA TYR A 97 5.648 1.484 9.304 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.730 0.351 6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.163 1.286 6.952 1.00 0.00 H new ATOM 0 HD1 TYR A 97 8.633 0.654 8.833 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.149 -1.663 7.860 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.472 -1.203 10.247 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.988 -3.519 9.277 1.00 0.00 H new ATOM 0 HH TYR A 97 7.614 -4.258 10.616 1.00 0.00 H new ATOM 1595 N PRO A 98 6.038 3.923 8.988 1.00 0.00 N ATOM 1596 CA PRO A 98 6.425 5.358 8.925 1.00 0.00 C ATOM 1597 C PRO A 98 7.943 5.488 8.775 1.00 0.00 C ATOM 1598 O PRO A 98 8.623 4.551 8.404 1.00 0.00 O ATOM 1599 CB PRO A 98 5.980 5.957 10.257 1.00 0.00 C ATOM 1600 CG PRO A 98 5.908 4.790 11.246 1.00 0.00 C ATOM 1601 CD PRO A 98 5.853 3.506 10.407 1.00 0.00 C ATOM 0 HA PRO A 98 5.967 5.865 8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.686 6.714 10.599 1.00 0.00 H new ATOM 0 HB3 PRO A 98 5.011 6.446 10.160 1.00 0.00 H new ATOM 0 HG2 PRO A 98 6.777 4.786 11.904 1.00 0.00 H new ATOM 0 HG3 PRO A 98 5.027 4.875 11.882 1.00 0.00 H new ATOM 0 HD2 PRO A 98 6.634 2.809 10.712 1.00 0.00 H new ATOM 0 HD3 PRO A 98 4.899 2.995 10.541 1.00 0.00 H new ATOM 1774 N ILE B 5 2.632 -8.101 -4.547 1.00 0.00 N ATOM 1775 CA ILE B 5 2.453 -9.301 -3.692 1.00 0.00 C ATOM 1776 C ILE B 5 1.045 -9.287 -3.085 1.00 0.00 C ATOM 1777 O ILE B 5 0.638 -8.331 -2.456 1.00 0.00 O ATOM 1778 CB ILE B 5 3.533 -9.308 -2.589 1.00 0.00 C ATOM 1779 CG1 ILE B 5 3.032 -8.649 -1.294 1.00 0.00 C ATOM 1780 CG2 ILE B 5 4.773 -8.556 -3.074 1.00 0.00 C ATOM 1781 CD1 ILE B 5 2.902 -7.136 -1.495 1.00 0.00 C ATOM 0 HA ILE B 5 2.562 -10.207 -4.288 1.00 0.00 H new ATOM 0 HB ILE B 5 3.775 -10.349 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE B 5 2.068 -9.071 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE B 5 3.724 -8.858 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE B 5 5.532 -8.564 -2.292 1.00 0.00 H new ATOM 0 HG22 ILE B 5 5.167 -9.041 -3.967 1.00 0.00 H new ATOM 0 HG23 ILE B 5 4.505 -7.526 -3.309 1.00 0.00 H new ATOM 0 HD11 ILE B 5 2.546 -6.676 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE B 5 3.874 -6.719 -1.757 1.00 0.00 H new ATOM 0 HD13 ILE B 5 2.193 -6.935 -2.298 1.00 0.00 H new ATOM 1793 N ILE B 6 0.297 -10.341 -3.263 1.00 0.00 N ATOM 1794 CA ILE B 6 -1.072 -10.374 -2.680 1.00 0.00 C ATOM 1795 C ILE B 6 -0.942 -10.282 -1.161 1.00 0.00 C ATOM 1796 O ILE B 6 -0.138 -10.975 -0.573 1.00 0.00 O ATOM 1797 CB ILE B 6 -1.764 -11.686 -3.057 1.00 0.00 C ATOM 1798 CG1 ILE B 6 -1.961 -11.742 -4.574 1.00 0.00 C ATOM 1799 CG2 ILE B 6 -3.125 -11.762 -2.364 1.00 0.00 C ATOM 1800 CD1 ILE B 6 -2.744 -13.004 -4.939 1.00 0.00 C ATOM 0 H ILE B 6 0.572 -11.174 -3.783 1.00 0.00 H new ATOM 0 HA ILE B 6 -1.665 -9.543 -3.062 1.00 0.00 H new ATOM 0 HB ILE B 6 -1.147 -12.526 -2.739 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -2.498 -10.857 -4.915 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -0.994 -11.742 -5.077 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -3.618 -12.696 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -2.986 -11.722 -1.284 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.742 -10.922 -2.681 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -2.885 -13.045 -6.019 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -2.190 -13.884 -4.612 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -3.716 -12.984 -4.447 1.00 0.00 H new ATOM 1812 N PRO B 7 -1.720 -9.420 -0.567 1.00 0.00 N ATOM 1813 CA PRO B 7 -1.721 -9.176 0.896 1.00 0.00 C ATOM 1814 C PRO B 7 -2.390 -10.335 1.635 1.00 0.00 C ATOM 1815 O PRO B 7 -3.599 -10.437 1.701 1.00 0.00 O ATOM 1816 CB PRO B 7 -2.494 -7.879 1.101 1.00 0.00 C ATOM 1817 CG PRO B 7 -3.385 -7.721 -0.133 1.00 0.00 C ATOM 1818 CD PRO B 7 -2.731 -8.556 -1.241 1.00 0.00 C ATOM 0 HA PRO B 7 -0.708 -9.099 1.291 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -3.092 -7.921 2.011 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -1.815 -7.032 1.204 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -4.398 -8.069 0.071 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -3.461 -6.674 -0.427 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -3.473 -9.160 -1.763 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -2.260 -7.914 -1.986 1.00 0.00 H new ATOM 1826 N LEU B 8 -1.598 -11.203 2.203 1.00 0.00 N ATOM 1827 CA LEU B 8 -2.155 -12.357 2.958 1.00 0.00 C ATOM 1828 C LEU B 8 -1.252 -12.631 4.163 1.00 0.00 C ATOM 1829 O LEU B 8 -0.042 -12.621 4.041 1.00 0.00 O ATOM 1830 CB LEU B 8 -2.194 -13.592 2.054 1.00 0.00 C ATOM 1831 CG LEU B 8 -3.647 -14.011 1.825 1.00 0.00 C ATOM 1832 CD1 LEU B 8 -4.350 -12.966 0.958 1.00 0.00 C ATOM 1833 CD2 LEU B 8 -3.680 -15.367 1.115 1.00 0.00 C ATOM 0 H LEU B 8 -0.579 -11.160 2.175 1.00 0.00 H new ATOM 0 HA LEU B 8 -3.167 -12.131 3.293 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -1.713 -13.373 1.101 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.637 -14.409 2.512 1.00 0.00 H new ATOM 0 HG LEU B 8 -4.158 -14.089 2.785 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -5.385 -13.265 0.795 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -4.326 -12.000 1.462 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -3.840 -12.887 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -4.715 -15.667 0.951 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -3.169 -15.288 0.155 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.179 -16.113 1.732 1.00 0.00 H new ATOM 1845 N PRO B 9 -1.864 -12.858 5.293 1.00 0.00 N ATOM 1846 CA PRO B 9 -1.175 -13.134 6.580 1.00 0.00 C ATOM 1847 C PRO B 9 -0.652 -14.571 6.605 1.00 0.00 C ATOM 1848 O PRO B 9 -1.239 -15.447 7.208 1.00 0.00 O ATOM 1849 CB PRO B 9 -2.229 -12.924 7.666 1.00 0.00 C ATOM 1850 CG PRO B 9 -3.586 -13.098 6.979 1.00 0.00 C ATOM 1851 CD PRO B 9 -3.343 -12.883 5.479 1.00 0.00 C ATOM 0 HA PRO B 9 -0.315 -12.481 6.727 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -2.106 -13.645 8.474 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -2.140 -11.932 8.109 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -3.992 -14.092 7.168 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -4.310 -12.379 7.362 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -3.795 -13.684 4.893 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -3.793 -11.949 5.142 1.00 0.00 H new ATOM 1859 N ASP B 10 0.453 -14.815 5.954 1.00 0.00 N ATOM 1860 CA ASP B 10 1.025 -16.190 5.936 1.00 0.00 C ATOM 1861 C ASP B 10 -0.038 -17.183 5.458 1.00 0.00 C ATOM 1862 O ASP B 10 -0.775 -17.734 6.252 1.00 0.00 O ATOM 1863 CB ASP B 10 1.483 -16.571 7.345 1.00 0.00 C ATOM 1864 CG ASP B 10 2.484 -15.533 7.855 1.00 0.00 C ATOM 1865 OD1 ASP B 10 3.619 -15.564 7.406 1.00 0.00 O ATOM 1866 OD2 ASP B 10 2.100 -14.724 8.683 1.00 0.00 O ATOM 0 H ASP B 10 0.985 -14.118 5.432 1.00 0.00 H new ATOM 0 HA ASP B 10 1.877 -16.218 5.257 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.625 -16.625 8.015 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.942 -17.560 7.335 1.00 0.00 H new