USER MOD reduce.3.24.130724 H: found=0, std=0, add=1020, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1017 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 49 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.81) USER MOD Set 1.2: A 179 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 97 CYS SG : rot -176:sc= 1.28 USER MOD Set 2.2: A 99 CYS SG : rot -47:sc= 0.431 USER MOD Set 2.3: A 101 SER OG : rot -87:sc= 0.187 USER MOD Set 2.4: A 145 CYS SG : rot 144:sc= -2.15! USER MOD Set 2.5: A 147 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 77 ASN : amide:sc= -2.1 K(o=-2.8,f=-12!) USER MOD Set 3.2: A 80 GLN : amide:sc= -0.648 K(o=-2.8,f=-7.7!) USER MOD Set 3.3: A 174 SER OG : rot 180:sc= 0 USER MOD Set 3.4: A 178 THR OG1 : rot 180:sc= -0.0236 USER MOD Set 4.1: A 73 GLN :FLIP amide:sc= 0 F(o=-1.7,f=-1.2) USER MOD Set 4.2: A 76 THR OG1 : rot 180:sc= -1.22 USER MOD Set 5.1: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 75 TYR OH : rot 141:sc= 0.0628 USER MOD Single : A 34 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.12) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 87:sc= 0.905 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.4) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0553 USER MOD Single : A 46 THR OG1 : rot 95:sc= 0.00676 USER MOD Single : A 47 CYS SG : rot -127:sc= 0.518 USER MOD Single : A 52 CYS SG : rot 180:sc= -0.65 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -7.12! C(o=-7.1!,f=-11!) USER MOD Single : A 72 THR OG1 : rot 35:sc= 0.27 USER MOD Single : A 86 GLN : amide:sc= -0.03 K(o=-0.03,f=-0.87) USER MOD Single : A 93 SER OG : rot 32:sc= 0.0191 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 84:sc= 0.498 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= -0.38 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 120:sc= -0.0325 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0.023 USER MOD Single : A 149 HIS :FLIP no HE2:sc= 0.016 F(o=-0.9,f=0.016) USER MOD Single : A 159 CYS SG : rot 27:sc= -1.82 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 MET CE :methyl 155:sc= 0 (180deg=-1.32) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 149 N GLU A 32 113.214 10.547 -0.336 1.00 0.00 N ATOM 150 CA GLU A 32 111.850 10.015 -0.633 1.00 0.00 C ATOM 151 C GLU A 32 111.741 8.553 -0.187 1.00 0.00 C ATOM 152 O GLU A 32 111.796 7.641 -0.994 1.00 0.00 O ATOM 153 CB GLU A 32 111.705 10.127 -2.151 1.00 0.00 C ATOM 154 CG GLU A 32 111.597 11.603 -2.546 1.00 0.00 C ATOM 155 CD GLU A 32 111.641 11.742 -4.073 1.00 0.00 C ATOM 156 OE1 GLU A 32 111.306 10.784 -4.752 1.00 0.00 O ATOM 157 OE2 GLU A 32 112.012 12.808 -4.537 1.00 0.00 O ATOM 0 HA GLU A 32 111.069 10.564 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 32 112.563 9.669 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 32 110.820 9.585 -2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 32 110.668 12.024 -2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 32 112.414 12.169 -2.097 1.00 0.00 H new ATOM 164 N VAL A 33 111.585 8.325 1.094 1.00 0.00 N ATOM 165 CA VAL A 33 111.470 6.926 1.605 1.00 0.00 C ATOM 166 C VAL A 33 110.327 6.830 2.623 1.00 0.00 C ATOM 167 O VAL A 33 110.058 7.763 3.356 1.00 0.00 O ATOM 168 CB VAL A 33 112.826 6.626 2.259 1.00 0.00 C ATOM 169 CG1 VAL A 33 113.087 7.611 3.403 1.00 0.00 C ATOM 170 CG2 VAL A 33 112.828 5.197 2.809 1.00 0.00 C ATOM 0 H VAL A 33 111.532 9.051 1.809 1.00 0.00 H new ATOM 0 HA VAL A 33 111.243 6.210 0.815 1.00 0.00 H new ATOM 0 HB VAL A 33 113.611 6.731 1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 33 114.051 7.390 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 33 113.096 8.629 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 33 112.300 7.516 4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.792 4.987 3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 33 112.037 5.092 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 33 112.656 4.493 1.994 1.00 0.00 H new ATOM 180 N GLN A 34 109.656 5.707 2.669 1.00 0.00 N ATOM 181 CA GLN A 34 108.527 5.540 3.633 1.00 0.00 C ATOM 182 C GLN A 34 108.960 4.662 4.809 1.00 0.00 C ATOM 183 O GLN A 34 109.974 3.993 4.755 1.00 0.00 O ATOM 184 CB GLN A 34 107.423 4.850 2.831 1.00 0.00 C ATOM 185 CG GLN A 34 106.853 5.827 1.800 1.00 0.00 C ATOM 186 CD GLN A 34 106.059 6.920 2.518 1.00 0.00 C ATOM 187 OE1 GLN A 34 105.000 6.664 3.055 1.00 0.00 O ATOM 188 NE2 GLN A 34 106.530 8.136 2.550 1.00 0.00 N ATOM 0 H GLN A 34 109.842 4.896 2.079 1.00 0.00 H new ATOM 0 HA GLN A 34 108.197 6.491 4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 34 107.820 3.967 2.330 1.00 0.00 H new ATOM 0 HB3 GLN A 34 106.633 4.508 3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 34 107.661 6.272 1.219 1.00 0.00 H new ATOM 0 HG3 GLN A 34 106.210 5.297 1.098 1.00 0.00 H new ATOM 0 HE21 GLN A 34 107.419 8.350 2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 34 106.009 8.872 3.026 1.00 0.00 H new ATOM 197 N VAL A 35 108.192 4.659 5.870 1.00 0.00 N ATOM 198 CA VAL A 35 108.549 3.821 7.054 1.00 0.00 C ATOM 199 C VAL A 35 107.414 2.837 7.364 1.00 0.00 C ATOM 200 O VAL A 35 106.261 3.213 7.453 1.00 0.00 O ATOM 201 CB VAL A 35 108.764 4.811 8.210 1.00 0.00 C ATOM 202 CG1 VAL A 35 107.476 5.593 8.496 1.00 0.00 C ATOM 203 CG2 VAL A 35 109.176 4.042 9.468 1.00 0.00 C ATOM 0 H VAL A 35 107.333 5.201 5.967 1.00 0.00 H new ATOM 0 HA VAL A 35 109.443 3.221 6.882 1.00 0.00 H new ATOM 0 HB VAL A 35 109.548 5.513 7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 35 107.648 6.289 9.317 1.00 0.00 H new ATOM 0 HG12 VAL A 35 107.182 6.148 7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 35 106.682 4.898 8.769 1.00 0.00 H new ATOM 0 HG21 VAL A 35 109.329 4.743 10.289 1.00 0.00 H new ATOM 0 HG22 VAL A 35 108.391 3.335 9.736 1.00 0.00 H new ATOM 0 HG23 VAL A 35 110.102 3.500 9.276 1.00 0.00 H new ATOM 213 N VAL A 36 107.738 1.577 7.521 1.00 0.00 N ATOM 214 CA VAL A 36 106.684 0.559 7.819 1.00 0.00 C ATOM 215 C VAL A 36 107.200 -0.467 8.834 1.00 0.00 C ATOM 216 O VAL A 36 108.374 -0.789 8.864 1.00 0.00 O ATOM 217 CB VAL A 36 106.379 -0.111 6.474 1.00 0.00 C ATOM 218 CG1 VAL A 36 105.843 0.934 5.494 1.00 0.00 C ATOM 219 CG2 VAL A 36 107.654 -0.737 5.897 1.00 0.00 C ATOM 0 H VAL A 36 108.687 1.210 7.456 1.00 0.00 H new ATOM 0 HA VAL A 36 105.793 1.009 8.257 1.00 0.00 H new ATOM 0 HB VAL A 36 105.633 -0.891 6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 36 105.626 0.458 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 36 104.931 1.375 5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 36 106.590 1.715 5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 36 107.427 -1.210 4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 36 108.405 0.039 5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 36 108.038 -1.485 6.590 1.00 0.00 H new ATOM 229 N SER A 37 106.327 -0.979 9.665 1.00 0.00 N ATOM 230 CA SER A 37 106.750 -1.986 10.684 1.00 0.00 C ATOM 231 C SER A 37 105.990 -3.299 10.477 1.00 0.00 C ATOM 232 O SER A 37 104.903 -3.316 9.931 1.00 0.00 O ATOM 233 CB SER A 37 106.385 -1.363 12.030 1.00 0.00 C ATOM 234 OG SER A 37 107.246 -0.262 12.288 1.00 0.00 O ATOM 0 H SER A 37 105.335 -0.741 9.681 1.00 0.00 H new ATOM 0 HA SER A 37 107.812 -2.220 10.617 1.00 0.00 H new ATOM 0 HB2 SER A 37 105.346 -1.033 12.021 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.477 -2.105 12.824 1.00 0.00 H new ATOM 0 HG SER A 37 107.013 0.141 13.150 1.00 0.00 H new ATOM 240 N THR A 38 106.559 -4.397 10.907 1.00 0.00 N ATOM 241 CA THR A 38 105.875 -5.716 10.738 1.00 0.00 C ATOM 242 C THR A 38 105.696 -6.393 12.098 1.00 0.00 C ATOM 243 O THR A 38 106.044 -5.842 13.126 1.00 0.00 O ATOM 244 CB THR A 38 106.795 -6.553 9.838 1.00 0.00 C ATOM 245 OG1 THR A 38 107.500 -5.704 8.939 1.00 0.00 O ATOM 246 CG2 THR A 38 105.955 -7.549 9.037 1.00 0.00 C ATOM 0 H THR A 38 107.468 -4.437 11.368 1.00 0.00 H new ATOM 0 HA THR A 38 104.883 -5.604 10.299 1.00 0.00 H new ATOM 0 HB THR A 38 107.510 -7.090 10.461 1.00 0.00 H new ATOM 0 HG1 THR A 38 108.318 -5.379 9.370 1.00 0.00 H new ATOM 0 HG21 THR A 38 106.607 -8.144 8.398 1.00 0.00 H new ATOM 0 HG22 THR A 38 105.420 -8.207 9.722 1.00 0.00 H new ATOM 0 HG23 THR A 38 105.238 -7.007 8.420 1.00 0.00 H new ATOM 254 N ALA A 39 105.144 -7.579 12.110 1.00 0.00 N ATOM 255 CA ALA A 39 104.927 -8.297 13.403 1.00 0.00 C ATOM 256 C ALA A 39 106.258 -8.527 14.126 1.00 0.00 C ATOM 257 O ALA A 39 106.388 -8.236 15.301 1.00 0.00 O ATOM 258 CB ALA A 39 104.289 -9.635 13.021 1.00 0.00 C ATOM 0 H ALA A 39 104.833 -8.082 11.279 1.00 0.00 H new ATOM 0 HA ALA A 39 104.296 -7.723 14.082 1.00 0.00 H new ATOM 0 HB1 ALA A 39 104.100 -10.218 13.922 1.00 0.00 H new ATOM 0 HB2 ALA A 39 103.348 -9.454 12.502 1.00 0.00 H new ATOM 0 HB3 ALA A 39 104.964 -10.186 12.367 1.00 0.00 H new ATOM 264 N THR A 40 107.241 -9.054 13.439 1.00 0.00 N ATOM 265 CA THR A 40 108.562 -9.311 14.092 1.00 0.00 C ATOM 266 C THR A 40 109.713 -8.653 13.315 1.00 0.00 C ATOM 267 O THR A 40 110.870 -8.880 13.616 1.00 0.00 O ATOM 268 CB THR A 40 108.714 -10.832 14.078 1.00 0.00 C ATOM 269 OG1 THR A 40 108.368 -11.328 12.793 1.00 0.00 O ATOM 270 CG2 THR A 40 107.793 -11.451 15.132 1.00 0.00 C ATOM 0 H THR A 40 107.186 -9.317 12.455 1.00 0.00 H new ATOM 0 HA THR A 40 108.599 -8.893 15.098 1.00 0.00 H new ATOM 0 HB THR A 40 109.747 -11.096 14.304 1.00 0.00 H new ATOM 0 HG1 THR A 40 108.466 -12.303 12.781 1.00 0.00 H new ATOM 0 HG21 THR A 40 107.903 -12.535 15.120 1.00 0.00 H new ATOM 0 HG22 THR A 40 108.060 -11.070 16.118 1.00 0.00 H new ATOM 0 HG23 THR A 40 106.758 -11.189 14.910 1.00 0.00 H new ATOM 278 N GLN A 41 109.417 -7.846 12.322 1.00 0.00 N ATOM 279 CA GLN A 41 110.509 -7.189 11.540 1.00 0.00 C ATOM 280 C GLN A 41 110.111 -5.765 11.139 1.00 0.00 C ATOM 281 O GLN A 41 108.946 -5.422 11.102 1.00 0.00 O ATOM 282 CB GLN A 41 110.691 -8.058 10.294 1.00 0.00 C ATOM 283 CG GLN A 41 111.393 -9.366 10.671 1.00 0.00 C ATOM 284 CD GLN A 41 112.812 -9.063 11.155 1.00 0.00 C ATOM 285 OE1 GLN A 41 113.552 -8.354 10.502 1.00 0.00 O ATOM 286 NE2 GLN A 41 113.228 -9.572 12.283 1.00 0.00 N ATOM 0 H GLN A 41 108.470 -7.616 12.022 1.00 0.00 H new ATOM 0 HA GLN A 41 111.427 -7.107 12.123 1.00 0.00 H new ATOM 0 HB2 GLN A 41 109.722 -8.272 9.844 1.00 0.00 H new ATOM 0 HB3 GLN A 41 111.278 -7.522 9.548 1.00 0.00 H new ATOM 0 HG2 GLN A 41 110.833 -9.880 11.452 1.00 0.00 H new ATOM 0 HG3 GLN A 41 111.426 -10.034 9.811 1.00 0.00 H new ATOM 0 HE21 GLN A 41 112.609 -10.167 12.833 1.00 0.00 H new ATOM 0 HE22 GLN A 41 114.172 -9.374 12.614 1.00 0.00 H new ATOM 295 N SER A 42 111.080 -4.941 10.831 1.00 0.00 N ATOM 296 CA SER A 42 110.782 -3.538 10.417 1.00 0.00 C ATOM 297 C SER A 42 111.758 -3.110 9.316 1.00 0.00 C ATOM 298 O SER A 42 112.959 -3.122 9.505 1.00 0.00 O ATOM 299 CB SER A 42 110.985 -2.698 11.677 1.00 0.00 C ATOM 300 OG SER A 42 110.143 -3.191 12.710 1.00 0.00 O ATOM 0 H SER A 42 112.071 -5.182 10.849 1.00 0.00 H new ATOM 0 HA SER A 42 109.774 -3.423 10.018 1.00 0.00 H new ATOM 0 HB2 SER A 42 112.028 -2.739 11.991 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.755 -1.652 11.472 1.00 0.00 H new ATOM 0 HG SER A 42 110.272 -2.655 13.521 1.00 0.00 H new ATOM 306 N PHE A 43 111.249 -2.740 8.170 1.00 0.00 N ATOM 307 CA PHE A 43 112.143 -2.322 7.045 1.00 0.00 C ATOM 308 C PHE A 43 111.607 -1.050 6.378 1.00 0.00 C ATOM 309 O PHE A 43 110.541 -0.567 6.713 1.00 0.00 O ATOM 310 CB PHE A 43 112.130 -3.494 6.055 1.00 0.00 C ATOM 311 CG PHE A 43 110.709 -3.813 5.647 1.00 0.00 C ATOM 312 CD1 PHE A 43 109.928 -4.652 6.450 1.00 0.00 C ATOM 313 CD2 PHE A 43 110.174 -3.269 4.473 1.00 0.00 C ATOM 314 CE1 PHE A 43 108.613 -4.950 6.080 1.00 0.00 C ATOM 315 CE2 PHE A 43 108.857 -3.568 4.103 1.00 0.00 C ATOM 316 CZ PHE A 43 108.076 -4.408 4.907 1.00 0.00 C ATOM 0 H PHE A 43 110.251 -2.709 7.962 1.00 0.00 H new ATOM 0 HA PHE A 43 113.151 -2.097 7.392 1.00 0.00 H new ATOM 0 HB2 PHE A 43 112.722 -3.243 5.175 1.00 0.00 H new ATOM 0 HB3 PHE A 43 112.591 -4.370 6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 43 110.341 -5.070 7.356 1.00 0.00 H new ATOM 0 HD2 PHE A 43 110.776 -2.620 3.854 1.00 0.00 H new ATOM 0 HE1 PHE A 43 108.012 -5.599 6.700 1.00 0.00 H new ATOM 0 HE2 PHE A 43 108.443 -3.151 3.197 1.00 0.00 H new ATOM 0 HZ PHE A 43 107.060 -4.637 4.622 1.00 0.00 H new ATOM 326 N LEU A 44 112.344 -0.506 5.441 1.00 0.00 N ATOM 327 CA LEU A 44 111.886 0.738 4.749 1.00 0.00 C ATOM 328 C LEU A 44 111.802 0.514 3.237 1.00 0.00 C ATOM 329 O LEU A 44 112.355 -0.433 2.709 1.00 0.00 O ATOM 330 CB LEU A 44 112.949 1.795 5.072 1.00 0.00 C ATOM 331 CG LEU A 44 113.080 1.982 6.590 1.00 0.00 C ATOM 332 CD1 LEU A 44 114.110 3.071 6.876 1.00 0.00 C ATOM 333 CD2 LEU A 44 111.739 2.411 7.185 1.00 0.00 C ATOM 0 H LEU A 44 113.243 -0.870 5.126 1.00 0.00 H new ATOM 0 HA LEU A 44 110.893 1.042 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 44 113.909 1.493 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 44 112.681 2.743 4.605 1.00 0.00 H new ATOM 0 HG LEU A 44 113.391 1.038 7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 44 114.206 3.207 7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 44 115.074 2.778 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 44 113.787 4.007 6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 44 111.844 2.541 8.262 1.00 0.00 H new ATOM 0 HD22 LEU A 44 111.426 3.353 6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 44 110.990 1.646 6.983 1.00 0.00 H new ATOM 345 N ALA A 45 111.112 1.382 2.541 1.00 0.00 N ATOM 346 CA ALA A 45 110.984 1.235 1.061 1.00 0.00 C ATOM 347 C ALA A 45 111.279 2.571 0.371 1.00 0.00 C ATOM 348 O ALA A 45 110.961 3.627 0.885 1.00 0.00 O ATOM 349 CB ALA A 45 109.532 0.819 0.827 1.00 0.00 C ATOM 0 H ALA A 45 110.630 2.189 2.937 1.00 0.00 H new ATOM 0 HA ALA A 45 111.686 0.506 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 45 109.358 0.691 -0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 45 109.335 -0.121 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 45 108.866 1.591 1.213 1.00 0.00 H new ATOM 355 N THR A 46 111.887 2.530 -0.789 1.00 0.00 N ATOM 356 CA THR A 46 112.207 3.792 -1.520 1.00 0.00 C ATOM 357 C THR A 46 111.550 3.784 -2.903 1.00 0.00 C ATOM 358 O THR A 46 111.506 2.769 -3.572 1.00 0.00 O ATOM 359 CB THR A 46 113.732 3.799 -1.651 1.00 0.00 C ATOM 360 OG1 THR A 46 114.317 3.731 -0.358 1.00 0.00 O ATOM 361 CG2 THR A 46 114.185 5.082 -2.351 1.00 0.00 C ATOM 0 H THR A 46 112.176 1.673 -1.261 1.00 0.00 H new ATOM 0 HA THR A 46 111.838 4.675 -0.999 1.00 0.00 H new ATOM 0 HB THR A 46 114.048 2.938 -2.240 1.00 0.00 H new ATOM 0 HG1 THR A 46 114.518 2.797 -0.139 1.00 0.00 H new ATOM 0 HG21 THR A 46 115.271 5.083 -2.442 1.00 0.00 H new ATOM 0 HG22 THR A 46 113.738 5.132 -3.344 1.00 0.00 H new ATOM 0 HG23 THR A 46 113.869 5.946 -1.767 1.00 0.00 H new ATOM 369 N CYS A 47 111.038 4.911 -3.333 1.00 0.00 N ATOM 370 CA CYS A 47 110.381 4.976 -4.674 1.00 0.00 C ATOM 371 C CYS A 47 111.434 5.177 -5.767 1.00 0.00 C ATOM 372 O CYS A 47 111.993 6.249 -5.911 1.00 0.00 O ATOM 373 CB CYS A 47 109.448 6.185 -4.599 1.00 0.00 C ATOM 374 SG CYS A 47 108.449 6.270 -6.105 1.00 0.00 S ATOM 0 H CYS A 47 111.047 5.788 -2.813 1.00 0.00 H new ATOM 0 HA CYS A 47 109.842 4.060 -4.916 1.00 0.00 H new ATOM 0 HB2 CYS A 47 108.802 6.105 -3.725 1.00 0.00 H new ATOM 0 HB3 CYS A 47 110.029 7.100 -4.483 1.00 0.00 H new ATOM 0 HG CYS A 47 108.560 7.453 -6.633 1.00 0.00 H new ATOM 380 N VAL A 48 111.709 4.153 -6.536 1.00 0.00 N ATOM 381 CA VAL A 48 112.728 4.277 -7.623 1.00 0.00 C ATOM 382 C VAL A 48 112.098 3.935 -8.979 1.00 0.00 C ATOM 383 O VAL A 48 111.481 2.902 -9.143 1.00 0.00 O ATOM 384 CB VAL A 48 113.822 3.264 -7.264 1.00 0.00 C ATOM 385 CG1 VAL A 48 114.932 3.304 -8.319 1.00 0.00 C ATOM 386 CG2 VAL A 48 114.415 3.611 -5.896 1.00 0.00 C ATOM 0 H VAL A 48 111.271 3.235 -6.458 1.00 0.00 H new ATOM 0 HA VAL A 48 113.125 5.289 -7.704 1.00 0.00 H new ATOM 0 HB VAL A 48 113.386 2.265 -7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 48 115.707 2.583 -8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 48 114.516 3.054 -9.295 1.00 0.00 H new ATOM 0 HG13 VAL A 48 115.364 4.304 -8.354 1.00 0.00 H new ATOM 0 HG21 VAL A 48 115.192 2.890 -5.643 1.00 0.00 H new ATOM 0 HG22 VAL A 48 114.846 4.612 -5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 48 113.630 3.579 -5.140 1.00 0.00 H new ATOM 396 N ASN A 49 112.256 4.801 -9.952 1.00 0.00 N ATOM 397 CA ASN A 49 111.678 4.546 -11.314 1.00 0.00 C ATOM 398 C ASN A 49 110.177 4.239 -11.226 1.00 0.00 C ATOM 399 O ASN A 49 109.671 3.380 -11.923 1.00 0.00 O ATOM 400 CB ASN A 49 112.439 3.334 -11.861 1.00 0.00 C ATOM 401 CG ASN A 49 112.111 3.152 -13.343 1.00 0.00 C ATOM 402 OD1 ASN A 49 111.553 2.146 -13.735 1.00 0.00 O ATOM 403 ND2 ASN A 49 112.433 4.091 -14.191 1.00 0.00 N ATOM 0 H ASN A 49 112.764 5.681 -9.862 1.00 0.00 H new ATOM 0 HA ASN A 49 111.780 5.418 -11.959 1.00 0.00 H new ATOM 0 HB2 ASN A 49 113.512 3.475 -11.730 1.00 0.00 H new ATOM 0 HB3 ASN A 49 112.165 2.438 -11.304 1.00 0.00 H new ATOM 0 HD21 ASN A 49 112.216 3.980 -15.181 1.00 0.00 H new ATOM 0 HD22 ASN A 49 112.901 4.936 -13.863 1.00 0.00 H new ATOM 410 N GLY A 50 109.466 4.938 -10.378 1.00 0.00 N ATOM 411 CA GLY A 50 107.998 4.696 -10.243 1.00 0.00 C ATOM 412 C GLY A 50 107.744 3.278 -9.714 1.00 0.00 C ATOM 413 O GLY A 50 106.671 2.732 -9.884 1.00 0.00 O ATOM 0 H GLY A 50 109.840 5.668 -9.772 1.00 0.00 H new ATOM 0 HA2 GLY A 50 107.562 5.429 -9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 50 107.510 4.825 -11.209 1.00 0.00 H new ATOM 417 N VAL A 51 108.718 2.683 -9.072 1.00 0.00 N ATOM 418 CA VAL A 51 108.536 1.304 -8.528 1.00 0.00 C ATOM 419 C VAL A 51 108.977 1.266 -7.060 1.00 0.00 C ATOM 420 O VAL A 51 110.062 1.700 -6.722 1.00 0.00 O ATOM 421 CB VAL A 51 109.438 0.413 -9.391 1.00 0.00 C ATOM 422 CG1 VAL A 51 109.369 -1.035 -8.898 1.00 0.00 C ATOM 423 CG2 VAL A 51 108.963 0.470 -10.845 1.00 0.00 C ATOM 0 H VAL A 51 109.635 3.096 -8.901 1.00 0.00 H new ATOM 0 HA VAL A 51 107.498 0.974 -8.560 1.00 0.00 H new ATOM 0 HB VAL A 51 110.466 0.770 -9.320 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.012 -1.661 -9.516 1.00 0.00 H new ATOM 0 HG12 VAL A 51 109.704 -1.083 -7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 51 108.342 -1.393 -8.965 1.00 0.00 H new ATOM 0 HG21 VAL A 51 109.602 -0.162 -11.462 1.00 0.00 H new ATOM 0 HG22 VAL A 51 107.934 0.115 -10.906 1.00 0.00 H new ATOM 0 HG23 VAL A 51 109.014 1.498 -11.204 1.00 0.00 H new ATOM 433 N CYS A 52 108.148 0.742 -6.193 1.00 0.00 N ATOM 434 CA CYS A 52 108.524 0.666 -4.750 1.00 0.00 C ATOM 435 C CYS A 52 109.417 -0.555 -4.524 1.00 0.00 C ATOM 436 O CYS A 52 108.951 -1.679 -4.515 1.00 0.00 O ATOM 437 CB CYS A 52 107.202 0.514 -3.998 1.00 0.00 C ATOM 438 SG CYS A 52 107.499 0.672 -2.219 1.00 0.00 S ATOM 0 H CYS A 52 107.229 0.364 -6.422 1.00 0.00 H new ATOM 0 HA CYS A 52 109.076 1.543 -4.412 1.00 0.00 H new ATOM 0 HB2 CYS A 52 106.494 1.274 -4.328 1.00 0.00 H new ATOM 0 HB3 CYS A 52 106.755 -0.455 -4.218 1.00 0.00 H new ATOM 0 HG CYS A 52 106.375 0.545 -1.578 1.00 0.00 H new ATOM 444 N TRP A 53 110.698 -0.342 -4.356 1.00 0.00 N ATOM 445 CA TRP A 53 111.625 -1.492 -4.145 1.00 0.00 C ATOM 446 C TRP A 53 111.873 -1.722 -2.655 1.00 0.00 C ATOM 447 O TRP A 53 112.079 -0.794 -1.896 1.00 0.00 O ATOM 448 CB TRP A 53 112.921 -1.086 -4.846 1.00 0.00 C ATOM 449 CG TRP A 53 112.774 -1.291 -6.320 1.00 0.00 C ATOM 450 CD1 TRP A 53 112.406 -0.337 -7.204 1.00 0.00 C ATOM 451 CD2 TRP A 53 112.986 -2.507 -7.094 1.00 0.00 C ATOM 452 NE1 TRP A 53 112.377 -0.889 -8.472 1.00 0.00 N ATOM 453 CE2 TRP A 53 112.727 -2.225 -8.456 1.00 0.00 C ATOM 454 CE3 TRP A 53 113.373 -3.815 -6.750 1.00 0.00 C ATOM 455 CZ2 TRP A 53 112.849 -3.205 -9.442 1.00 0.00 C ATOM 456 CZ3 TRP A 53 113.497 -4.804 -7.739 1.00 0.00 C ATOM 457 CH2 TRP A 53 113.236 -4.499 -9.083 1.00 0.00 C ATOM 0 H TRP A 53 111.140 0.577 -4.356 1.00 0.00 H new ATOM 0 HA TRP A 53 111.216 -2.423 -4.539 1.00 0.00 H new ATOM 0 HB2 TRP A 53 113.150 -0.042 -4.634 1.00 0.00 H new ATOM 0 HB3 TRP A 53 113.754 -1.678 -4.467 1.00 0.00 H new ATOM 0 HD1 TRP A 53 112.173 0.689 -6.960 1.00 0.00 H new ATOM 0 HE1 TRP A 53 112.128 -0.373 -9.316 1.00 0.00 H new ATOM 0 HE3 TRP A 53 113.576 -4.060 -5.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 112.646 -2.965 -10.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 113.795 -5.805 -7.463 1.00 0.00 H new ATOM 0 HH2 TRP A 53 113.334 -5.263 -9.840 1.00 0.00 H new ATOM 468 N THR A 54 111.860 -2.960 -2.239 1.00 0.00 N ATOM 469 CA THR A 54 112.102 -3.284 -0.803 1.00 0.00 C ATOM 470 C THR A 54 113.036 -4.491 -0.696 1.00 0.00 C ATOM 471 O THR A 54 113.426 -5.072 -1.692 1.00 0.00 O ATOM 472 CB THR A 54 110.720 -3.609 -0.222 1.00 0.00 C ATOM 473 OG1 THR A 54 110.858 -3.958 1.149 1.00 0.00 O ATOM 474 CG2 THR A 54 110.087 -4.777 -0.985 1.00 0.00 C ATOM 0 H THR A 54 111.691 -3.768 -2.838 1.00 0.00 H new ATOM 0 HA THR A 54 112.576 -2.463 -0.265 1.00 0.00 H new ATOM 0 HB THR A 54 110.077 -2.734 -0.318 1.00 0.00 H new ATOM 0 HG1 THR A 54 109.977 -4.165 1.524 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.107 -4.998 -0.563 1.00 0.00 H new ATOM 0 HG22 THR A 54 109.978 -4.509 -2.036 1.00 0.00 H new ATOM 0 HG23 THR A 54 110.726 -5.656 -0.899 1.00 0.00 H new ATOM 482 N VAL A 55 113.387 -4.879 0.502 1.00 0.00 N ATOM 483 CA VAL A 55 114.286 -6.058 0.676 1.00 0.00 C ATOM 484 C VAL A 55 113.458 -7.345 0.577 1.00 0.00 C ATOM 485 O VAL A 55 112.335 -7.403 1.041 1.00 0.00 O ATOM 486 CB VAL A 55 114.885 -5.884 2.076 1.00 0.00 C ATOM 487 CG1 VAL A 55 115.780 -7.085 2.421 1.00 0.00 C ATOM 488 CG2 VAL A 55 115.715 -4.594 2.115 1.00 0.00 C ATOM 0 H VAL A 55 113.090 -4.430 1.368 1.00 0.00 H new ATOM 0 HA VAL A 55 115.065 -6.124 -0.083 1.00 0.00 H new ATOM 0 HB VAL A 55 114.078 -5.824 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 55 116.200 -6.951 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 55 115.187 -7.999 2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 55 116.588 -7.158 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.143 -4.467 3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 55 116.517 -4.655 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 55 115.075 -3.742 1.884 1.00 0.00 H new ATOM 498 N TYR A 56 113.996 -8.371 -0.036 1.00 0.00 N ATOM 499 CA TYR A 56 113.231 -9.647 -0.180 1.00 0.00 C ATOM 500 C TYR A 56 113.371 -10.523 1.075 1.00 0.00 C ATOM 501 O TYR A 56 112.409 -11.121 1.523 1.00 0.00 O ATOM 502 CB TYR A 56 113.847 -10.338 -1.406 1.00 0.00 C ATOM 503 CG TYR A 56 113.242 -11.714 -1.583 1.00 0.00 C ATOM 504 CD1 TYR A 56 112.142 -11.903 -2.429 1.00 0.00 C ATOM 505 CD2 TYR A 56 113.781 -12.797 -0.883 1.00 0.00 C ATOM 506 CE1 TYR A 56 111.586 -13.181 -2.574 1.00 0.00 C ATOM 507 CE2 TYR A 56 113.226 -14.072 -1.028 1.00 0.00 C ATOM 508 CZ TYR A 56 112.129 -14.265 -1.873 1.00 0.00 C ATOM 509 OH TYR A 56 111.581 -15.524 -2.016 1.00 0.00 O ATOM 0 H TYR A 56 114.931 -8.379 -0.442 1.00 0.00 H new ATOM 0 HA TYR A 56 112.162 -9.470 -0.302 1.00 0.00 H new ATOM 0 HB2 TYR A 56 113.672 -9.737 -2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 56 114.927 -10.420 -1.283 1.00 0.00 H new ATOM 0 HD1 TYR A 56 111.723 -11.066 -2.968 1.00 0.00 H new ATOM 0 HD2 TYR A 56 114.628 -12.649 -0.229 1.00 0.00 H new ATOM 0 HE1 TYR A 56 110.738 -13.330 -3.227 1.00 0.00 H new ATOM 0 HE2 TYR A 56 113.645 -14.908 -0.487 1.00 0.00 H new ATOM 0 HH TYR A 56 112.077 -16.162 -1.461 1.00 0.00 H new ATOM 519 N HIS A 57 114.554 -10.622 1.630 1.00 0.00 N ATOM 520 CA HIS A 57 114.733 -11.484 2.838 1.00 0.00 C ATOM 521 C HIS A 57 113.950 -10.922 4.038 1.00 0.00 C ATOM 522 O HIS A 57 113.710 -11.619 5.006 1.00 0.00 O ATOM 523 CB HIS A 57 116.253 -11.526 3.095 1.00 0.00 C ATOM 524 CG HIS A 57 116.775 -10.217 3.642 1.00 0.00 C ATOM 525 ND1 HIS A 57 117.831 -9.528 3.035 1.00 0.00 N ATOM 526 CD2 HIS A 57 116.436 -9.478 4.755 1.00 0.00 C ATOM 527 CE1 HIS A 57 118.089 -8.434 3.781 1.00 0.00 C ATOM 528 NE2 HIS A 57 117.268 -8.378 4.816 1.00 0.00 N ATOM 0 H HIS A 57 115.396 -10.148 1.302 1.00 0.00 H new ATOM 0 HA HIS A 57 114.340 -12.489 2.686 1.00 0.00 H new ATOM 0 HB2 HIS A 57 116.479 -12.328 3.798 1.00 0.00 H new ATOM 0 HB3 HIS A 57 116.771 -11.762 2.165 1.00 0.00 H new ATOM 0 HD1 HIS A 57 118.318 -9.803 2.182 1.00 0.00 H new ATOM 0 HD2 HIS A 57 115.653 -9.718 5.459 1.00 0.00 H new ATOM 0 HE1 HIS A 57 118.857 -7.707 3.564 1.00 0.00 H new ATOM 536 N GLY A 58 113.552 -9.673 3.979 1.00 0.00 N ATOM 537 CA GLY A 58 112.786 -9.074 5.112 1.00 0.00 C ATOM 538 C GLY A 58 111.291 -9.075 4.783 1.00 0.00 C ATOM 539 O GLY A 58 110.488 -9.625 5.513 1.00 0.00 O ATOM 0 H GLY A 58 113.726 -9.045 3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 58 112.967 -9.640 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 58 113.127 -8.055 5.296 1.00 0.00 H new ATOM 543 N ALA A 59 110.912 -8.458 3.691 1.00 0.00 N ATOM 544 CA ALA A 59 109.467 -8.415 3.310 1.00 0.00 C ATOM 545 C ALA A 59 109.058 -9.710 2.602 1.00 0.00 C ATOM 546 O ALA A 59 107.957 -10.196 2.773 1.00 0.00 O ATOM 547 CB ALA A 59 109.341 -7.225 2.357 1.00 0.00 C ATOM 0 H ALA A 59 111.543 -7.982 3.046 1.00 0.00 H new ATOM 0 HA ALA A 59 108.820 -8.314 4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 59 108.305 -7.127 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 59 109.648 -6.314 2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 59 109.980 -7.385 1.489 1.00 0.00 H new ATOM 553 N GLY A 60 109.934 -10.267 1.806 1.00 0.00 N ATOM 554 CA GLY A 60 109.604 -11.528 1.076 1.00 0.00 C ATOM 555 C GLY A 60 109.275 -12.647 2.072 1.00 0.00 C ATOM 556 O GLY A 60 108.571 -13.585 1.748 1.00 0.00 O ATOM 0 H GLY A 60 110.869 -9.900 1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 60 108.756 -11.361 0.412 1.00 0.00 H new ATOM 0 HA3 GLY A 60 110.445 -11.825 0.450 1.00 0.00 H new ATOM 719 N THR A 72 100.037 -9.303 -4.715 1.00 0.00 N ATOM 720 CA THR A 72 101.053 -10.181 -5.369 1.00 0.00 C ATOM 721 C THR A 72 102.235 -9.344 -5.869 1.00 0.00 C ATOM 722 O THR A 72 102.066 -8.400 -6.617 1.00 0.00 O ATOM 723 CB THR A 72 100.318 -10.831 -6.543 1.00 0.00 C ATOM 724 OG1 THR A 72 99.173 -11.518 -6.058 1.00 0.00 O ATOM 725 CG2 THR A 72 101.249 -11.822 -7.244 1.00 0.00 C ATOM 0 HA THR A 72 101.460 -10.923 -4.683 1.00 0.00 H new ATOM 0 HB THR A 72 100.010 -10.062 -7.251 1.00 0.00 H new ATOM 0 HG1 THR A 72 98.790 -11.023 -5.304 1.00 0.00 H new ATOM 0 HG21 THR A 72 100.725 -12.285 -8.080 1.00 0.00 H new ATOM 0 HG22 THR A 72 102.129 -11.295 -7.614 1.00 0.00 H new ATOM 0 HG23 THR A 72 101.558 -12.593 -6.538 1.00 0.00 H new ATOM 733 N GLN A 73 103.429 -9.683 -5.451 1.00 0.00 N ATOM 734 CA GLN A 73 104.634 -8.908 -5.887 1.00 0.00 C ATOM 735 C GLN A 73 104.907 -9.124 -7.382 1.00 0.00 C ATOM 736 O GLN A 73 104.951 -10.242 -7.859 1.00 0.00 O ATOM 737 CB GLN A 73 105.790 -9.451 -5.038 1.00 0.00 C ATOM 738 CG GLN A 73 105.990 -10.946 -5.313 1.00 0.00 C ATOM 739 CD GLN A 73 106.444 -11.646 -4.032 1.00 0.00 C ATOM 740 OE1 GLN A 73 107.713 -11.891 -3.852 1.00 0.00 O flip ATOM 741 NE2 GLN A 73 105.637 -11.969 -3.183 1.00 0.00 N flip ATOM 0 H GLN A 73 103.623 -10.465 -4.825 1.00 0.00 H new ATOM 0 HA GLN A 73 104.499 -7.835 -5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 73 106.706 -8.906 -5.266 1.00 0.00 H new ATOM 0 HB3 GLN A 73 105.580 -9.293 -3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 73 105.060 -11.388 -5.671 1.00 0.00 H new ATOM 0 HG3 GLN A 73 106.733 -11.086 -6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 73 104.645 -11.778 -3.323 1.00 0.00 H new ATOM 0 HE22 GLN A 73 105.952 -12.431 -2.330 1.00 0.00 H new ATOM 750 N MET A 74 105.093 -8.056 -8.117 1.00 0.00 N ATOM 751 CA MET A 74 105.368 -8.182 -9.582 1.00 0.00 C ATOM 752 C MET A 74 106.790 -8.704 -9.822 1.00 0.00 C ATOM 753 O MET A 74 107.024 -9.505 -10.706 1.00 0.00 O ATOM 754 CB MET A 74 105.220 -6.767 -10.144 1.00 0.00 C ATOM 755 CG MET A 74 105.380 -6.801 -11.665 1.00 0.00 C ATOM 756 SD MET A 74 105.204 -5.127 -12.330 1.00 0.00 S ATOM 757 CE MET A 74 105.257 -5.570 -14.083 1.00 0.00 C ATOM 0 H MET A 74 105.066 -7.099 -7.765 1.00 0.00 H new ATOM 0 HA MET A 74 104.688 -8.886 -10.061 1.00 0.00 H new ATOM 0 HB2 MET A 74 104.244 -6.360 -9.880 1.00 0.00 H new ATOM 0 HB3 MET A 74 105.970 -6.109 -9.704 1.00 0.00 H new ATOM 0 HG2 MET A 74 106.356 -7.208 -11.929 1.00 0.00 H new ATOM 0 HG3 MET A 74 104.631 -7.459 -12.105 1.00 0.00 H new ATOM 0 HE1 MET A 74 105.163 -4.669 -14.689 1.00 0.00 H new ATOM 0 HE2 MET A 74 106.205 -6.060 -14.306 1.00 0.00 H new ATOM 0 HE3 MET A 74 104.435 -6.248 -14.312 1.00 0.00 H new ATOM 767 N TYR A 75 107.742 -8.241 -9.049 1.00 0.00 N ATOM 768 CA TYR A 75 109.157 -8.693 -9.239 1.00 0.00 C ATOM 769 C TYR A 75 109.622 -9.517 -8.032 1.00 0.00 C ATOM 770 O TYR A 75 109.318 -9.197 -6.898 1.00 0.00 O ATOM 771 CB TYR A 75 109.979 -7.403 -9.346 1.00 0.00 C ATOM 772 CG TYR A 75 109.479 -6.559 -10.496 1.00 0.00 C ATOM 773 CD1 TYR A 75 109.629 -7.005 -11.815 1.00 0.00 C ATOM 774 CD2 TYR A 75 108.865 -5.326 -10.241 1.00 0.00 C ATOM 775 CE1 TYR A 75 109.167 -6.217 -12.878 1.00 0.00 C ATOM 776 CE2 TYR A 75 108.401 -4.539 -11.301 1.00 0.00 C ATOM 777 CZ TYR A 75 108.553 -4.984 -12.620 1.00 0.00 C ATOM 778 OH TYR A 75 108.097 -4.209 -13.667 1.00 0.00 O ATOM 0 H TYR A 75 107.601 -7.569 -8.294 1.00 0.00 H new ATOM 0 HA TYR A 75 109.267 -9.325 -10.120 1.00 0.00 H new ATOM 0 HB2 TYR A 75 109.909 -6.840 -8.415 1.00 0.00 H new ATOM 0 HB3 TYR A 75 111.031 -7.645 -9.494 1.00 0.00 H new ATOM 0 HD1 TYR A 75 110.101 -7.956 -12.013 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.749 -4.982 -9.224 1.00 0.00 H new ATOM 0 HE1 TYR A 75 109.284 -6.560 -13.895 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.926 -3.590 -11.102 1.00 0.00 H new ATOM 0 HH TYR A 75 107.245 -3.793 -13.419 1.00 0.00 H new ATOM 788 N THR A 76 110.360 -10.575 -8.272 1.00 0.00 N ATOM 789 CA THR A 76 110.852 -11.425 -7.145 1.00 0.00 C ATOM 790 C THR A 76 112.248 -11.975 -7.462 1.00 0.00 C ATOM 791 O THR A 76 112.463 -12.567 -8.505 1.00 0.00 O ATOM 792 CB THR A 76 109.841 -12.568 -7.046 1.00 0.00 C ATOM 793 OG1 THR A 76 108.524 -12.033 -7.047 1.00 0.00 O ATOM 794 CG2 THR A 76 110.077 -13.345 -5.752 1.00 0.00 C ATOM 0 H THR A 76 110.642 -10.886 -9.202 1.00 0.00 H new ATOM 0 HA THR A 76 110.935 -10.866 -6.213 1.00 0.00 H new ATOM 0 HB THR A 76 109.962 -13.238 -7.897 1.00 0.00 H new ATOM 0 HG1 THR A 76 107.874 -12.764 -6.985 1.00 0.00 H new ATOM 0 HG21 THR A 76 109.357 -14.160 -5.680 1.00 0.00 H new ATOM 0 HG22 THR A 76 111.088 -13.753 -5.752 1.00 0.00 H new ATOM 0 HG23 THR A 76 109.955 -12.677 -4.899 1.00 0.00 H new ATOM 802 N ASN A 77 113.198 -11.785 -6.575 1.00 0.00 N ATOM 803 CA ASN A 77 114.579 -12.301 -6.837 1.00 0.00 C ATOM 804 C ASN A 77 115.343 -12.533 -5.525 1.00 0.00 C ATOM 805 O ASN A 77 115.788 -11.598 -4.887 1.00 0.00 O ATOM 806 CB ASN A 77 115.255 -11.201 -7.657 1.00 0.00 C ATOM 807 CG ASN A 77 116.601 -11.703 -8.187 1.00 0.00 C ATOM 808 OD1 ASN A 77 117.156 -12.654 -7.673 1.00 0.00 O ATOM 809 ND2 ASN A 77 117.153 -11.096 -9.202 1.00 0.00 N ATOM 0 H ASN A 77 113.077 -11.298 -5.687 1.00 0.00 H new ATOM 0 HA ASN A 77 114.561 -13.260 -7.355 1.00 0.00 H new ATOM 0 HB2 ASN A 77 114.613 -10.907 -8.488 1.00 0.00 H new ATOM 0 HB3 ASN A 77 115.404 -10.315 -7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 77 118.050 -11.420 -9.564 1.00 0.00 H new ATOM 0 HD22 ASN A 77 116.687 -10.298 -9.634 1.00 0.00 H new ATOM 816 N VAL A 78 115.513 -13.775 -5.131 1.00 0.00 N ATOM 817 CA VAL A 78 116.270 -14.070 -3.872 1.00 0.00 C ATOM 818 C VAL A 78 117.755 -13.750 -4.089 1.00 0.00 C ATOM 819 O VAL A 78 118.414 -13.218 -3.215 1.00 0.00 O ATOM 820 CB VAL A 78 116.043 -15.572 -3.599 1.00 0.00 C ATOM 821 CG1 VAL A 78 116.964 -16.080 -2.468 1.00 0.00 C ATOM 822 CG2 VAL A 78 114.583 -15.793 -3.181 1.00 0.00 C ATOM 0 H VAL A 78 115.161 -14.594 -5.626 1.00 0.00 H new ATOM 0 HA VAL A 78 115.938 -13.472 -3.024 1.00 0.00 H new ATOM 0 HB VAL A 78 116.272 -16.123 -4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 78 116.781 -17.141 -2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 78 118.006 -15.932 -2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 78 116.756 -15.525 -1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 78 114.417 -16.853 -2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 78 114.373 -15.221 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 78 113.921 -15.463 -3.982 1.00 0.00 H new ATOM 832 N ASP A 79 118.284 -14.073 -5.244 1.00 0.00 N ATOM 833 CA ASP A 79 119.730 -13.789 -5.516 1.00 0.00 C ATOM 834 C ASP A 79 120.008 -12.294 -5.353 1.00 0.00 C ATOM 835 O ASP A 79 120.966 -11.896 -4.717 1.00 0.00 O ATOM 836 CB ASP A 79 119.957 -14.214 -6.966 1.00 0.00 C ATOM 837 CG ASP A 79 119.915 -15.740 -7.067 1.00 0.00 C ATOM 838 OD1 ASP A 79 120.507 -16.387 -6.219 1.00 0.00 O ATOM 839 OD2 ASP A 79 119.288 -16.236 -7.989 1.00 0.00 O ATOM 0 H ASP A 79 117.779 -14.520 -6.009 1.00 0.00 H new ATOM 0 HA ASP A 79 120.390 -14.319 -4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 79 119.192 -13.776 -7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 79 120.920 -13.843 -7.318 1.00 0.00 H new ATOM 844 N GLN A 80 119.160 -11.470 -5.908 1.00 0.00 N ATOM 845 CA GLN A 80 119.344 -9.996 -5.773 1.00 0.00 C ATOM 846 C GLN A 80 118.792 -9.516 -4.421 1.00 0.00 C ATOM 847 O GLN A 80 119.038 -8.400 -4.006 1.00 0.00 O ATOM 848 CB GLN A 80 118.551 -9.390 -6.930 1.00 0.00 C ATOM 849 CG GLN A 80 119.019 -7.954 -7.172 1.00 0.00 C ATOM 850 CD GLN A 80 118.619 -7.507 -8.582 1.00 0.00 C ATOM 851 OE1 GLN A 80 118.288 -8.320 -9.423 1.00 0.00 O ATOM 852 NE2 GLN A 80 118.639 -6.237 -8.877 1.00 0.00 N ATOM 0 H GLN A 80 118.345 -11.755 -6.451 1.00 0.00 H new ATOM 0 HA GLN A 80 120.393 -9.703 -5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 80 118.690 -9.986 -7.832 1.00 0.00 H new ATOM 0 HB3 GLN A 80 117.485 -9.403 -6.701 1.00 0.00 H new ATOM 0 HG2 GLN A 80 118.577 -7.288 -6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 80 120.101 -7.890 -7.054 1.00 0.00 H new ATOM 0 HE21 GLN A 80 118.917 -5.554 -8.172 1.00 0.00 H new ATOM 0 HE22 GLN A 80 118.377 -5.927 -9.813 1.00 0.00 H new ATOM 861 N ASP A 81 118.046 -10.353 -3.727 1.00 0.00 N ATOM 862 CA ASP A 81 117.473 -9.958 -2.398 1.00 0.00 C ATOM 863 C ASP A 81 116.672 -8.657 -2.517 1.00 0.00 C ATOM 864 O ASP A 81 116.731 -7.805 -1.651 1.00 0.00 O ATOM 865 CB ASP A 81 118.679 -9.756 -1.474 1.00 0.00 C ATOM 866 CG ASP A 81 118.196 -9.550 -0.036 1.00 0.00 C ATOM 867 OD1 ASP A 81 117.133 -10.037 0.316 1.00 0.00 O ATOM 868 OD2 ASP A 81 118.982 -8.816 0.827 1.00 0.00 O ATOM 0 H ASP A 81 117.810 -11.298 -4.029 1.00 0.00 H new ATOM 0 HA ASP A 81 116.790 -10.717 -2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 81 119.339 -10.622 -1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 81 119.259 -8.893 -1.800 1.00 0.00 H new ATOM 874 N LEU A 82 115.928 -8.501 -3.583 1.00 0.00 N ATOM 875 CA LEU A 82 115.123 -7.256 -3.760 1.00 0.00 C ATOM 876 C LEU A 82 113.748 -7.580 -4.351 1.00 0.00 C ATOM 877 O LEU A 82 113.581 -8.544 -5.076 1.00 0.00 O ATOM 878 CB LEU A 82 115.932 -6.388 -4.726 1.00 0.00 C ATOM 879 CG LEU A 82 117.164 -5.824 -4.007 1.00 0.00 C ATOM 880 CD1 LEU A 82 118.088 -5.141 -5.022 1.00 0.00 C ATOM 881 CD2 LEU A 82 116.719 -4.808 -2.940 1.00 0.00 C ATOM 0 H LEU A 82 115.844 -9.182 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 82 114.944 -6.751 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 82 116.241 -6.978 -5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 82 115.314 -5.573 -5.102 1.00 0.00 H new ATOM 0 HG LEU A 82 117.704 -6.638 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 82 118.962 -4.742 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 82 118.407 -5.867 -5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 82 117.552 -4.328 -5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 82 117.596 -4.408 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 82 116.174 -3.994 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 82 116.071 -5.302 -2.215 1.00 0.00 H new ATOM 893 N VAL A 83 112.769 -6.769 -4.047 1.00 0.00 N ATOM 894 CA VAL A 83 111.393 -7.000 -4.588 1.00 0.00 C ATOM 895 C VAL A 83 110.863 -5.680 -5.156 1.00 0.00 C ATOM 896 O VAL A 83 111.265 -4.615 -4.725 1.00 0.00 O ATOM 897 CB VAL A 83 110.532 -7.459 -3.398 1.00 0.00 C ATOM 898 CG1 VAL A 83 109.207 -8.014 -3.922 1.00 0.00 C ATOM 899 CG2 VAL A 83 111.250 -8.563 -2.606 1.00 0.00 C ATOM 0 H VAL A 83 112.862 -5.952 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 83 111.378 -7.746 -5.382 1.00 0.00 H new ATOM 0 HB VAL A 83 110.357 -6.605 -2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 83 108.592 -8.341 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 83 108.681 -7.237 -4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 83 109.402 -8.860 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 83 110.626 -8.875 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 83 111.435 -9.417 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 83 112.199 -8.182 -2.229 1.00 0.00 H new ATOM 909 N GLY A 84 109.981 -5.734 -6.123 1.00 0.00 N ATOM 910 CA GLY A 84 109.450 -4.469 -6.716 1.00 0.00 C ATOM 911 C GLY A 84 107.922 -4.511 -6.791 1.00 0.00 C ATOM 912 O GLY A 84 107.318 -5.565 -6.828 1.00 0.00 O ATOM 0 H GLY A 84 109.608 -6.594 -6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.767 -3.617 -6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 84 109.865 -4.326 -7.714 1.00 0.00 H new ATOM 916 N TRP A 85 107.301 -3.359 -6.821 1.00 0.00 N ATOM 917 CA TRP A 85 105.810 -3.296 -6.900 1.00 0.00 C ATOM 918 C TRP A 85 105.390 -2.234 -7.921 1.00 0.00 C ATOM 919 O TRP A 85 106.154 -1.346 -8.249 1.00 0.00 O ATOM 920 CB TRP A 85 105.357 -2.888 -5.499 1.00 0.00 C ATOM 921 CG TRP A 85 105.217 -4.102 -4.637 1.00 0.00 C ATOM 922 CD1 TRP A 85 104.479 -5.192 -4.944 1.00 0.00 C ATOM 923 CD2 TRP A 85 105.815 -4.363 -3.335 1.00 0.00 C ATOM 924 NE1 TRP A 85 104.584 -6.107 -3.912 1.00 0.00 N ATOM 925 CE2 TRP A 85 105.398 -5.643 -2.897 1.00 0.00 C ATOM 926 CE3 TRP A 85 106.671 -3.623 -2.500 1.00 0.00 C ATOM 927 CZ2 TRP A 85 105.815 -6.168 -1.674 1.00 0.00 C ATOM 928 CZ3 TRP A 85 107.091 -4.150 -1.267 1.00 0.00 C ATOM 929 CH2 TRP A 85 106.664 -5.419 -0.856 1.00 0.00 C ATOM 0 H TRP A 85 107.767 -2.452 -6.794 1.00 0.00 H new ATOM 0 HA TRP A 85 105.370 -4.243 -7.213 1.00 0.00 H new ATOM 0 HB2 TRP A 85 106.079 -2.200 -5.059 1.00 0.00 H new ATOM 0 HB3 TRP A 85 104.406 -2.359 -5.554 1.00 0.00 H new ATOM 0 HD1 TRP A 85 103.902 -5.326 -5.847 1.00 0.00 H new ATOM 0 HE1 TRP A 85 104.117 -7.014 -3.902 1.00 0.00 H new ATOM 0 HE3 TRP A 85 107.007 -2.644 -2.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 105.484 -7.147 -1.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 107.747 -3.573 -0.632 1.00 0.00 H new ATOM 0 HH2 TRP A 85 106.991 -5.818 0.093 1.00 0.00 H new ATOM 940 N GLN A 86 104.180 -2.311 -8.417 1.00 0.00 N ATOM 941 CA GLN A 86 103.713 -1.297 -9.409 1.00 0.00 C ATOM 942 C GLN A 86 103.207 -0.048 -8.681 1.00 0.00 C ATOM 943 O GLN A 86 102.322 -0.122 -7.849 1.00 0.00 O ATOM 944 CB GLN A 86 102.571 -1.970 -10.171 1.00 0.00 C ATOM 945 CG GLN A 86 103.137 -3.054 -11.091 1.00 0.00 C ATOM 946 CD GLN A 86 102.039 -3.546 -12.035 1.00 0.00 C ATOM 947 OE1 GLN A 86 101.255 -2.763 -12.533 1.00 0.00 O ATOM 948 NE2 GLN A 86 101.947 -4.820 -12.305 1.00 0.00 N ATOM 0 H GLN A 86 103.498 -3.031 -8.178 1.00 0.00 H new ATOM 0 HA GLN A 86 104.512 -0.980 -10.079 1.00 0.00 H new ATOM 0 HB2 GLN A 86 101.861 -2.408 -9.470 1.00 0.00 H new ATOM 0 HB3 GLN A 86 102.025 -1.230 -10.757 1.00 0.00 H new ATOM 0 HG2 GLN A 86 103.974 -2.658 -11.665 1.00 0.00 H new ATOM 0 HG3 GLN A 86 103.521 -3.884 -10.499 1.00 0.00 H new ATOM 0 HE21 GLN A 86 102.605 -5.479 -11.888 1.00 0.00 H new ATOM 0 HE22 GLN A 86 101.218 -5.157 -12.933 1.00 0.00 H new ATOM 957 N ALA A 87 103.765 1.096 -8.988 1.00 0.00 N ATOM 958 CA ALA A 87 103.324 2.354 -8.317 1.00 0.00 C ATOM 959 C ALA A 87 102.307 3.099 -9.195 1.00 0.00 C ATOM 960 O ALA A 87 102.364 3.010 -10.405 1.00 0.00 O ATOM 961 CB ALA A 87 104.598 3.184 -8.153 1.00 0.00 C ATOM 0 H ALA A 87 104.509 1.212 -9.676 1.00 0.00 H new ATOM 0 HA ALA A 87 102.836 2.161 -7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 87 104.357 4.128 -7.665 1.00 0.00 H new ATOM 0 HB2 ALA A 87 105.315 2.634 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 87 105.032 3.382 -9.133 1.00 0.00 H new ATOM 967 N PRO A 88 101.403 3.815 -8.561 1.00 0.00 N ATOM 968 CA PRO A 88 100.378 4.572 -9.323 1.00 0.00 C ATOM 969 C PRO A 88 101.017 5.788 -10.012 1.00 0.00 C ATOM 970 O PRO A 88 102.031 6.282 -9.561 1.00 0.00 O ATOM 971 CB PRO A 88 99.381 5.011 -8.253 1.00 0.00 C ATOM 972 CG PRO A 88 100.165 5.035 -6.979 1.00 0.00 C ATOM 973 CD PRO A 88 101.245 3.993 -7.106 1.00 0.00 C ATOM 0 HA PRO A 88 99.910 3.985 -10.113 1.00 0.00 H new ATOM 0 HB2 PRO A 88 98.966 5.993 -8.480 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.542 4.318 -8.187 1.00 0.00 H new ATOM 0 HG2 PRO A 88 100.598 6.021 -6.812 1.00 0.00 H new ATOM 0 HG3 PRO A 88 99.521 4.821 -6.126 1.00 0.00 H new ATOM 0 HD2 PRO A 88 102.174 4.323 -6.642 1.00 0.00 H new ATOM 0 HD3 PRO A 88 100.959 3.061 -6.619 1.00 0.00 H new ATOM 981 N PRO A 89 100.406 6.242 -11.085 1.00 0.00 N ATOM 982 CA PRO A 89 100.947 7.415 -11.818 1.00 0.00 C ATOM 983 C PRO A 89 100.738 8.695 -11.003 1.00 0.00 C ATOM 984 O PRO A 89 99.909 8.744 -10.114 1.00 0.00 O ATOM 985 CB PRO A 89 100.131 7.447 -13.106 1.00 0.00 C ATOM 986 CG PRO A 89 98.853 6.747 -12.771 1.00 0.00 C ATOM 987 CD PRO A 89 99.177 5.726 -11.715 1.00 0.00 C ATOM 0 HA PRO A 89 102.019 7.346 -12.005 1.00 0.00 H new ATOM 0 HB2 PRO A 89 99.947 8.471 -13.431 1.00 0.00 H new ATOM 0 HB3 PRO A 89 100.656 6.944 -13.918 1.00 0.00 H new ATOM 0 HG2 PRO A 89 98.109 7.455 -12.407 1.00 0.00 H new ATOM 0 HG3 PRO A 89 98.432 6.268 -13.655 1.00 0.00 H new ATOM 0 HD2 PRO A 89 98.368 5.630 -10.991 1.00 0.00 H new ATOM 0 HD3 PRO A 89 99.335 4.739 -12.149 1.00 0.00 H new ATOM 995 N GLY A 90 101.487 9.726 -11.301 1.00 0.00 N ATOM 996 CA GLY A 90 101.341 11.006 -10.547 1.00 0.00 C ATOM 997 C GLY A 90 102.285 11.001 -9.344 1.00 0.00 C ATOM 998 O GLY A 90 102.007 11.603 -8.324 1.00 0.00 O ATOM 0 H GLY A 90 102.195 9.736 -12.036 1.00 0.00 H new ATOM 0 HA2 GLY A 90 101.568 11.851 -11.197 1.00 0.00 H new ATOM 0 HA3 GLY A 90 100.311 11.128 -10.213 1.00 0.00 H new ATOM 1002 N ALA A 91 103.400 10.325 -9.456 1.00 0.00 N ATOM 1003 CA ALA A 91 104.371 10.273 -8.323 1.00 0.00 C ATOM 1004 C ALA A 91 105.778 10.621 -8.819 1.00 0.00 C ATOM 1005 O ALA A 91 106.072 10.524 -9.995 1.00 0.00 O ATOM 1006 CB ALA A 91 104.322 8.830 -7.824 1.00 0.00 C ATOM 0 H ALA A 91 103.680 9.805 -10.287 1.00 0.00 H new ATOM 0 HA ALA A 91 104.125 10.985 -7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 91 105.011 8.710 -6.988 1.00 0.00 H new ATOM 0 HB2 ALA A 91 103.310 8.592 -7.497 1.00 0.00 H new ATOM 0 HB3 ALA A 91 104.610 8.156 -8.631 1.00 0.00 H new ATOM 1012 N ARG A 92 106.646 11.027 -7.927 1.00 0.00 N ATOM 1013 CA ARG A 92 108.037 11.386 -8.337 1.00 0.00 C ATOM 1014 C ARG A 92 108.931 10.143 -8.320 1.00 0.00 C ATOM 1015 O ARG A 92 108.735 9.239 -7.528 1.00 0.00 O ATOM 1016 CB ARG A 92 108.511 12.398 -7.293 1.00 0.00 C ATOM 1017 CG ARG A 92 107.615 13.637 -7.338 1.00 0.00 C ATOM 1018 CD ARG A 92 108.092 14.649 -6.292 1.00 0.00 C ATOM 1019 NE ARG A 92 109.401 15.163 -6.809 1.00 0.00 N ATOM 1020 CZ ARG A 92 110.071 16.098 -6.164 1.00 0.00 C ATOM 1021 NH1 ARG A 92 109.541 16.750 -5.156 1.00 0.00 N ATOM 1022 NH2 ARG A 92 111.288 16.384 -6.542 1.00 0.00 N ATOM 0 H ARG A 92 106.451 11.125 -6.931 1.00 0.00 H new ATOM 0 HA ARG A 92 108.076 11.793 -9.347 1.00 0.00 H new ATOM 0 HB2 ARG A 92 108.482 11.951 -6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 92 109.546 12.678 -7.487 1.00 0.00 H new ATOM 0 HG2 ARG A 92 107.644 14.084 -8.332 1.00 0.00 H new ATOM 0 HG3 ARG A 92 106.579 13.358 -7.144 1.00 0.00 H new ATOM 0 HD2 ARG A 92 107.372 15.458 -6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 92 108.212 14.179 -5.316 1.00 0.00 H new ATOM 0 HE ARG A 92 109.781 14.783 -7.676 1.00 0.00 H new ATOM 0 HH11 ARG A 92 108.590 16.538 -4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 92 110.080 17.469 -4.674 1.00 0.00 H new ATOM 0 HH21 ARG A 92 111.708 15.886 -7.327 1.00 0.00 H new ATOM 0 HH22 ARG A 92 111.818 17.105 -6.052 1.00 0.00 H new ATOM 1036 N SER A 93 109.909 10.094 -9.188 1.00 0.00 N ATOM 1037 CA SER A 93 110.823 8.914 -9.229 1.00 0.00 C ATOM 1038 C SER A 93 112.266 9.354 -8.972 1.00 0.00 C ATOM 1039 O SER A 93 112.704 10.385 -9.450 1.00 0.00 O ATOM 1040 CB SER A 93 110.679 8.352 -10.643 1.00 0.00 C ATOM 1041 OG SER A 93 111.010 9.362 -11.587 1.00 0.00 O ATOM 0 H SER A 93 110.114 10.823 -9.872 1.00 0.00 H new ATOM 0 HA SER A 93 110.576 8.174 -8.468 1.00 0.00 H new ATOM 0 HB2 SER A 93 111.333 7.489 -10.772 1.00 0.00 H new ATOM 0 HB3 SER A 93 109.659 8.006 -10.807 1.00 0.00 H new ATOM 0 HG SER A 93 111.695 9.952 -11.208 1.00 0.00 H new ATOM 1047 N LEU A 94 113.006 8.577 -8.222 1.00 0.00 N ATOM 1048 CA LEU A 94 114.425 8.940 -7.930 1.00 0.00 C ATOM 1049 C LEU A 94 115.320 8.564 -9.113 1.00 0.00 C ATOM 1050 O LEU A 94 114.960 7.748 -9.940 1.00 0.00 O ATOM 1051 CB LEU A 94 114.802 8.124 -6.693 1.00 0.00 C ATOM 1052 CG LEU A 94 114.117 8.721 -5.461 1.00 0.00 C ATOM 1053 CD1 LEU A 94 114.286 7.773 -4.273 1.00 0.00 C ATOM 1054 CD2 LEU A 94 114.759 10.071 -5.129 1.00 0.00 C ATOM 0 H LEU A 94 112.687 7.705 -7.799 1.00 0.00 H new ATOM 0 HA LEU A 94 114.549 10.010 -7.763 1.00 0.00 H new ATOM 0 HB2 LEU A 94 114.499 7.085 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 94 115.884 8.126 -6.558 1.00 0.00 H new ATOM 0 HG LEU A 94 113.056 8.860 -5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 94 113.798 8.198 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 94 113.833 6.810 -4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 94 115.347 7.634 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 94 114.273 10.499 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 94 115.820 9.929 -4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 94 114.641 10.748 -5.975 1.00 0.00 H new ATOM 1066 N THR A 95 116.483 9.159 -9.196 1.00 0.00 N ATOM 1067 CA THR A 95 117.410 8.845 -10.323 1.00 0.00 C ATOM 1068 C THR A 95 118.708 8.225 -9.783 1.00 0.00 C ATOM 1069 O THR A 95 119.060 8.443 -8.641 1.00 0.00 O ATOM 1070 CB THR A 95 117.697 10.194 -10.985 1.00 0.00 C ATOM 1071 OG1 THR A 95 118.232 11.089 -10.020 1.00 0.00 O ATOM 1072 CG2 THR A 95 116.400 10.771 -11.555 1.00 0.00 C ATOM 0 H THR A 95 116.830 9.850 -8.530 1.00 0.00 H new ATOM 0 HA THR A 95 116.982 8.128 -11.024 1.00 0.00 H new ATOM 0 HB THR A 95 118.416 10.057 -11.792 1.00 0.00 H new ATOM 0 HG1 THR A 95 118.418 11.953 -10.443 1.00 0.00 H new ATOM 0 HG21 THR A 95 116.606 11.732 -12.026 1.00 0.00 H new ATOM 0 HG22 THR A 95 115.991 10.084 -12.295 1.00 0.00 H new ATOM 0 HG23 THR A 95 115.678 10.909 -10.750 1.00 0.00 H new ATOM 1080 N PRO A 96 119.387 7.466 -10.618 1.00 0.00 N ATOM 1081 CA PRO A 96 120.654 6.825 -10.187 1.00 0.00 C ATOM 1082 C PRO A 96 121.754 7.878 -10.026 1.00 0.00 C ATOM 1083 O PRO A 96 121.627 8.993 -10.496 1.00 0.00 O ATOM 1084 CB PRO A 96 120.978 5.861 -11.326 1.00 0.00 C ATOM 1085 CG PRO A 96 120.284 6.428 -12.521 1.00 0.00 C ATOM 1086 CD PRO A 96 119.057 7.139 -12.016 1.00 0.00 C ATOM 0 HA PRO A 96 120.575 6.320 -9.224 1.00 0.00 H new ATOM 0 HB2 PRO A 96 122.053 5.791 -11.490 1.00 0.00 H new ATOM 0 HB3 PRO A 96 120.623 4.854 -11.104 1.00 0.00 H new ATOM 0 HG2 PRO A 96 120.937 7.117 -13.056 1.00 0.00 H new ATOM 0 HG3 PRO A 96 120.012 5.638 -13.221 1.00 0.00 H new ATOM 0 HD2 PRO A 96 118.848 8.037 -12.598 1.00 0.00 H new ATOM 0 HD3 PRO A 96 118.173 6.505 -12.080 1.00 0.00 H new ATOM 1094 N CYS A 97 122.828 7.534 -9.362 1.00 0.00 N ATOM 1095 CA CYS A 97 123.937 8.517 -9.165 1.00 0.00 C ATOM 1096 C CYS A 97 124.620 8.822 -10.499 1.00 0.00 C ATOM 1097 O CYS A 97 125.020 7.929 -11.222 1.00 0.00 O ATOM 1098 CB CYS A 97 124.918 7.843 -8.205 1.00 0.00 C ATOM 1099 SG CYS A 97 126.000 9.097 -7.472 1.00 0.00 S ATOM 0 H CYS A 97 122.985 6.615 -8.948 1.00 0.00 H new ATOM 0 HA CYS A 97 123.572 9.464 -8.768 1.00 0.00 H new ATOM 0 HB2 CYS A 97 124.373 7.315 -7.423 1.00 0.00 H new ATOM 0 HB3 CYS A 97 125.512 7.100 -8.737 1.00 0.00 H new ATOM 0 HG CYS A 97 126.888 8.518 -6.720 1.00 0.00 H new ATOM 1104 N THR A 98 124.756 10.082 -10.825 1.00 0.00 N ATOM 1105 CA THR A 98 125.415 10.467 -12.106 1.00 0.00 C ATOM 1106 C THR A 98 126.458 11.556 -11.844 1.00 0.00 C ATOM 1107 O THR A 98 126.486 12.573 -12.510 1.00 0.00 O ATOM 1108 CB THR A 98 124.286 11.002 -12.988 1.00 0.00 C ATOM 1109 OG1 THR A 98 123.498 11.919 -12.241 1.00 0.00 O ATOM 1110 CG2 THR A 98 123.410 9.839 -13.459 1.00 0.00 C ATOM 0 H THR A 98 124.436 10.864 -10.254 1.00 0.00 H new ATOM 0 HA THR A 98 125.933 9.632 -12.577 1.00 0.00 H new ATOM 0 HB THR A 98 124.710 11.509 -13.855 1.00 0.00 H new ATOM 0 HG1 THR A 98 122.775 12.264 -12.805 1.00 0.00 H new ATOM 0 HG21 THR A 98 122.605 10.221 -14.088 1.00 0.00 H new ATOM 0 HG22 THR A 98 124.015 9.136 -14.031 1.00 0.00 H new ATOM 0 HG23 THR A 98 122.984 9.331 -12.594 1.00 0.00 H new ATOM 1118 N CYS A 99 127.303 11.353 -10.865 1.00 0.00 N ATOM 1119 CA CYS A 99 128.339 12.387 -10.539 1.00 0.00 C ATOM 1120 C CYS A 99 129.674 11.760 -10.084 1.00 0.00 C ATOM 1121 O CYS A 99 130.660 12.459 -9.935 1.00 0.00 O ATOM 1122 CB CYS A 99 127.722 13.216 -9.403 1.00 0.00 C ATOM 1123 SG CYS A 99 127.355 12.155 -7.974 1.00 0.00 S ATOM 0 H CYS A 99 127.323 10.519 -10.277 1.00 0.00 H new ATOM 0 HA CYS A 99 128.584 12.984 -11.417 1.00 0.00 H new ATOM 0 HB2 CYS A 99 128.409 14.009 -9.108 1.00 0.00 H new ATOM 0 HB3 CYS A 99 126.808 13.698 -9.751 1.00 0.00 H new ATOM 0 HG CYS A 99 126.737 11.084 -8.376 1.00 0.00 H new ATOM 1128 N GLY A 100 129.726 10.464 -9.868 1.00 0.00 N ATOM 1129 CA GLY A 100 131.006 9.822 -9.436 1.00 0.00 C ATOM 1130 C GLY A 100 131.476 10.428 -8.110 1.00 0.00 C ATOM 1131 O GLY A 100 132.662 10.533 -7.855 1.00 0.00 O ATOM 0 H GLY A 100 128.937 9.826 -9.973 1.00 0.00 H new ATOM 0 HA2 GLY A 100 130.863 8.747 -9.324 1.00 0.00 H new ATOM 0 HA3 GLY A 100 131.770 9.964 -10.201 1.00 0.00 H new ATOM 1135 N SER A 101 130.558 10.827 -7.266 1.00 0.00 N ATOM 1136 CA SER A 101 130.952 11.427 -5.954 1.00 0.00 C ATOM 1137 C SER A 101 131.305 10.325 -4.951 1.00 0.00 C ATOM 1138 O SER A 101 130.460 9.551 -4.543 1.00 0.00 O ATOM 1139 CB SER A 101 129.722 12.205 -5.486 1.00 0.00 C ATOM 1140 OG SER A 101 129.854 12.505 -4.103 1.00 0.00 O ATOM 0 H SER A 101 129.553 10.763 -7.428 1.00 0.00 H new ATOM 0 HA SER A 101 131.829 12.068 -6.042 1.00 0.00 H new ATOM 0 HB2 SER A 101 129.619 13.125 -6.061 1.00 0.00 H new ATOM 0 HB3 SER A 101 128.819 11.619 -5.658 1.00 0.00 H new ATOM 0 HG SER A 101 129.505 11.759 -3.572 1.00 0.00 H new ATOM 1146 N SER A 102 132.551 10.251 -4.554 1.00 0.00 N ATOM 1147 CA SER A 102 132.973 9.200 -3.576 1.00 0.00 C ATOM 1148 C SER A 102 132.198 9.348 -2.263 1.00 0.00 C ATOM 1149 O SER A 102 131.796 8.372 -1.658 1.00 0.00 O ATOM 1150 CB SER A 102 134.466 9.441 -3.344 1.00 0.00 C ATOM 1151 OG SER A 102 135.179 9.150 -4.538 1.00 0.00 O ATOM 0 H SER A 102 133.296 10.874 -4.865 1.00 0.00 H new ATOM 0 HA SER A 102 132.776 8.195 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 102 134.637 10.476 -3.047 1.00 0.00 H new ATOM 0 HB3 SER A 102 134.826 8.812 -2.530 1.00 0.00 H new ATOM 0 HG SER A 102 136.136 9.305 -4.394 1.00 0.00 H new ATOM 1157 N ASP A 103 131.987 10.562 -1.822 1.00 0.00 N ATOM 1158 CA ASP A 103 131.237 10.781 -0.545 1.00 0.00 C ATOM 1159 C ASP A 103 129.770 10.384 -0.723 1.00 0.00 C ATOM 1160 O ASP A 103 129.149 10.704 -1.719 1.00 0.00 O ATOM 1161 CB ASP A 103 131.356 12.279 -0.259 1.00 0.00 C ATOM 1162 CG ASP A 103 132.805 12.617 0.101 1.00 0.00 C ATOM 1163 OD1 ASP A 103 133.268 12.136 1.122 1.00 0.00 O ATOM 1164 OD2 ASP A 103 133.426 13.349 -0.652 1.00 0.00 O ATOM 0 H ASP A 103 132.301 11.412 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 103 131.635 10.181 0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 103 131.044 12.853 -1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 103 130.692 12.558 0.560 1.00 0.00 H new ATOM 1169 N LEU A 104 129.215 9.688 0.236 1.00 0.00 N ATOM 1170 CA LEU A 104 127.787 9.263 0.130 1.00 0.00 C ATOM 1171 C LEU A 104 127.068 9.455 1.465 1.00 0.00 C ATOM 1172 O LEU A 104 127.686 9.531 2.510 1.00 0.00 O ATOM 1173 CB LEU A 104 127.841 7.778 -0.235 1.00 0.00 C ATOM 1174 CG LEU A 104 128.250 7.623 -1.700 1.00 0.00 C ATOM 1175 CD1 LEU A 104 128.680 6.177 -1.958 1.00 0.00 C ATOM 1176 CD2 LEU A 104 127.061 7.965 -2.602 1.00 0.00 C ATOM 0 H LEU A 104 129.690 9.395 1.090 1.00 0.00 H new ATOM 0 HA LEU A 104 127.242 9.850 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 104 128.553 7.261 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 104 126.868 7.317 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 104 129.079 8.296 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 104 128.972 6.065 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 104 129.525 5.929 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 104 127.849 5.506 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 104 127.353 7.854 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 104 126.233 7.291 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 104 126.750 8.993 -2.419 1.00 0.00 H new ATOM 1188 N TYR A 105 125.762 9.524 1.433 1.00 0.00 N ATOM 1189 CA TYR A 105 124.980 9.700 2.691 1.00 0.00 C ATOM 1190 C TYR A 105 124.032 8.512 2.870 1.00 0.00 C ATOM 1191 O TYR A 105 123.441 8.038 1.918 1.00 0.00 O ATOM 1192 CB TYR A 105 124.187 10.991 2.486 1.00 0.00 C ATOM 1193 CG TYR A 105 125.130 12.170 2.473 1.00 0.00 C ATOM 1194 CD1 TYR A 105 125.366 12.894 3.648 1.00 0.00 C ATOM 1195 CD2 TYR A 105 125.770 12.538 1.284 1.00 0.00 C ATOM 1196 CE1 TYR A 105 126.241 13.987 3.633 1.00 0.00 C ATOM 1197 CE2 TYR A 105 126.646 13.631 1.269 1.00 0.00 C ATOM 1198 CZ TYR A 105 126.881 14.355 2.443 1.00 0.00 C ATOM 1199 OH TYR A 105 127.743 15.432 2.428 1.00 0.00 O ATOM 0 H TYR A 105 125.201 9.465 0.583 1.00 0.00 H new ATOM 0 HA TYR A 105 125.612 9.751 3.577 1.00 0.00 H new ATOM 0 HB2 TYR A 105 123.634 10.945 1.548 1.00 0.00 H new ATOM 0 HB3 TYR A 105 123.453 11.109 3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 105 124.873 12.609 4.566 1.00 0.00 H new ATOM 0 HD2 TYR A 105 125.588 11.979 0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 105 126.422 14.546 4.539 1.00 0.00 H new ATOM 0 HE2 TYR A 105 127.140 13.915 0.351 1.00 0.00 H new ATOM 0 HH TYR A 105 128.103 15.551 1.524 1.00 0.00 H new ATOM 1209 N LEU A 106 123.887 8.026 4.076 1.00 0.00 N ATOM 1210 CA LEU A 106 122.980 6.863 4.309 1.00 0.00 C ATOM 1211 C LEU A 106 121.803 7.279 5.196 1.00 0.00 C ATOM 1212 O LEU A 106 121.985 7.817 6.271 1.00 0.00 O ATOM 1213 CB LEU A 106 123.847 5.819 5.016 1.00 0.00 C ATOM 1214 CG LEU A 106 123.028 4.548 5.257 1.00 0.00 C ATOM 1215 CD1 LEU A 106 122.674 3.907 3.914 1.00 0.00 C ATOM 1216 CD2 LEU A 106 123.851 3.563 6.090 1.00 0.00 C ATOM 0 H LEU A 106 124.357 8.384 4.908 1.00 0.00 H new ATOM 0 HA LEU A 106 122.555 6.477 3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 106 124.724 5.589 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 106 124.210 6.215 5.964 1.00 0.00 H new ATOM 0 HG LEU A 106 122.112 4.801 5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 106 122.091 3.002 4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 106 122.089 4.608 3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 106 123.589 3.653 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 106 123.269 2.658 6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 106 124.766 3.310 5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 106 124.105 4.019 7.047 1.00 0.00 H new ATOM 1228 N VAL A 107 120.599 7.024 4.750 1.00 0.00 N ATOM 1229 CA VAL A 107 119.402 7.394 5.561 1.00 0.00 C ATOM 1230 C VAL A 107 119.017 6.224 6.471 1.00 0.00 C ATOM 1231 O VAL A 107 118.578 5.186 6.012 1.00 0.00 O ATOM 1232 CB VAL A 107 118.298 7.677 4.536 1.00 0.00 C ATOM 1233 CG1 VAL A 107 116.998 8.043 5.258 1.00 0.00 C ATOM 1234 CG2 VAL A 107 118.721 8.845 3.640 1.00 0.00 C ATOM 0 H VAL A 107 120.394 6.575 3.857 1.00 0.00 H new ATOM 0 HA VAL A 107 119.579 8.256 6.205 1.00 0.00 H new ATOM 0 HB VAL A 107 118.137 6.785 3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 107 116.218 8.243 4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 107 116.691 7.215 5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 107 117.158 8.932 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 107 117.936 9.047 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 107 118.885 9.732 4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 107 119.643 8.588 3.119 1.00 0.00 H new ATOM 1244 N THR A 108 119.184 6.388 7.758 1.00 0.00 N ATOM 1245 CA THR A 108 118.838 5.292 8.710 1.00 0.00 C ATOM 1246 C THR A 108 117.380 5.417 9.157 1.00 0.00 C ATOM 1247 O THR A 108 116.811 6.493 9.151 1.00 0.00 O ATOM 1248 CB THR A 108 119.781 5.487 9.898 1.00 0.00 C ATOM 1249 OG1 THR A 108 121.093 5.750 9.419 1.00 0.00 O ATOM 1250 CG2 THR A 108 119.793 4.222 10.758 1.00 0.00 C ATOM 0 H THR A 108 119.546 7.237 8.191 1.00 0.00 H new ATOM 0 HA THR A 108 118.947 4.306 8.259 1.00 0.00 H new ATOM 0 HB THR A 108 119.438 6.328 10.501 1.00 0.00 H new ATOM 0 HG1 THR A 108 121.181 6.704 9.214 1.00 0.00 H new ATOM 0 HG21 THR A 108 120.466 4.363 11.604 1.00 0.00 H new ATOM 0 HG22 THR A 108 118.786 4.022 11.125 1.00 0.00 H new ATOM 0 HG23 THR A 108 120.136 3.378 10.159 1.00 0.00 H new ATOM 1258 N ARG A 109 116.776 4.323 9.545 1.00 0.00 N ATOM 1259 CA ARG A 109 115.352 4.369 9.998 1.00 0.00 C ATOM 1260 C ARG A 109 115.200 5.299 11.210 1.00 0.00 C ATOM 1261 O ARG A 109 114.114 5.750 11.518 1.00 0.00 O ATOM 1262 CB ARG A 109 114.999 2.929 10.378 1.00 0.00 C ATOM 1263 CG ARG A 109 113.500 2.839 10.668 1.00 0.00 C ATOM 1264 CD ARG A 109 113.128 1.401 11.032 1.00 0.00 C ATOM 1265 NE ARG A 109 111.633 1.387 11.044 1.00 0.00 N ATOM 1266 CZ ARG A 109 110.953 1.776 12.104 1.00 0.00 C ATOM 1267 NH1 ARG A 109 111.543 2.366 13.117 1.00 0.00 N ATOM 1268 NH2 ARG A 109 109.665 1.575 12.144 1.00 0.00 N ATOM 0 H ARG A 109 117.207 3.399 9.568 1.00 0.00 H new ATOM 0 HA ARG A 109 114.693 4.756 9.221 1.00 0.00 H new ATOM 0 HB2 ARG A 109 115.266 2.250 9.568 1.00 0.00 H new ATOM 0 HB3 ARG A 109 115.570 2.621 11.254 1.00 0.00 H new ATOM 0 HG2 ARG A 109 113.238 3.510 11.486 1.00 0.00 H new ATOM 0 HG3 ARG A 109 112.932 3.162 9.796 1.00 0.00 H new ATOM 0 HD2 ARG A 109 113.525 0.693 10.304 1.00 0.00 H new ATOM 0 HD3 ARG A 109 113.534 1.121 12.004 1.00 0.00 H new ATOM 0 HE ARG A 109 111.129 1.070 10.216 1.00 0.00 H new ATOM 0 HH11 ARG A 109 112.549 2.532 13.095 1.00 0.00 H new ATOM 0 HH12 ARG A 109 110.995 2.658 13.926 1.00 0.00 H new ATOM 0 HH21 ARG A 109 109.195 1.121 11.361 1.00 0.00 H new ATOM 0 HH22 ARG A 109 109.128 1.871 12.959 1.00 0.00 H new ATOM 1282 N HIS A 110 116.280 5.588 11.899 1.00 0.00 N ATOM 1283 CA HIS A 110 116.199 6.486 13.090 1.00 0.00 C ATOM 1284 C HIS A 110 116.521 7.933 12.696 1.00 0.00 C ATOM 1285 O HIS A 110 116.984 8.715 13.504 1.00 0.00 O ATOM 1286 CB HIS A 110 117.254 5.952 14.060 1.00 0.00 C ATOM 1287 CG HIS A 110 116.831 4.601 14.568 1.00 0.00 C ATOM 1288 ND1 HIS A 110 117.327 3.422 14.034 1.00 0.00 N ATOM 1289 CD2 HIS A 110 115.960 4.226 15.562 1.00 0.00 C ATOM 1290 CE1 HIS A 110 116.756 2.403 14.703 1.00 0.00 C ATOM 1291 NE2 HIS A 110 115.915 2.839 15.645 1.00 0.00 N ATOM 0 H HIS A 110 117.214 5.239 11.685 1.00 0.00 H new ATOM 0 HA HIS A 110 115.201 6.493 13.529 1.00 0.00 H new ATOM 0 HB2 HIS A 110 118.219 5.878 13.559 1.00 0.00 H new ATOM 0 HB3 HIS A 110 117.380 6.643 14.894 1.00 0.00 H new ATOM 0 HD2 HIS A 110 115.396 4.905 16.184 1.00 0.00 H new ATOM 0 HE1 HIS A 110 116.954 1.360 14.503 1.00 0.00 H new ATOM 0 HE2 HIS A 110 115.359 2.275 16.288 1.00 0.00 H new ATOM 1299 N ALA A 111 116.280 8.296 11.457 1.00 0.00 N ATOM 1300 CA ALA A 111 116.567 9.695 10.994 1.00 0.00 C ATOM 1301 C ALA A 111 118.032 10.062 11.258 1.00 0.00 C ATOM 1302 O ALA A 111 118.334 11.132 11.749 1.00 0.00 O ATOM 1303 CB ALA A 111 115.630 10.601 11.802 1.00 0.00 C ATOM 0 H ALA A 111 115.894 7.680 10.742 1.00 0.00 H new ATOM 0 HA ALA A 111 116.404 9.803 9.922 1.00 0.00 H new ATOM 0 HB1 ALA A 111 115.789 11.640 11.512 1.00 0.00 H new ATOM 0 HB2 ALA A 111 114.595 10.323 11.604 1.00 0.00 H new ATOM 0 HB3 ALA A 111 115.840 10.485 12.865 1.00 0.00 H new ATOM 1309 N ASP A 112 118.939 9.178 10.928 1.00 0.00 N ATOM 1310 CA ASP A 112 120.389 9.462 11.149 1.00 0.00 C ATOM 1311 C ASP A 112 121.138 9.426 9.815 1.00 0.00 C ATOM 1312 O ASP A 112 120.803 8.662 8.929 1.00 0.00 O ATOM 1313 CB ASP A 112 120.876 8.344 12.071 1.00 0.00 C ATOM 1314 CG ASP A 112 122.341 8.587 12.439 1.00 0.00 C ATOM 1315 OD1 ASP A 112 122.582 9.112 13.515 1.00 0.00 O ATOM 1316 OD2 ASP A 112 123.197 8.245 11.640 1.00 0.00 O ATOM 0 H ASP A 112 118.737 8.268 10.513 1.00 0.00 H new ATOM 0 HA ASP A 112 120.558 10.447 11.583 1.00 0.00 H new ATOM 0 HB2 ASP A 112 120.265 8.310 12.973 1.00 0.00 H new ATOM 0 HB3 ASP A 112 120.770 7.378 11.577 1.00 0.00 H new ATOM 1321 N VAL A 113 122.147 10.249 9.663 1.00 0.00 N ATOM 1322 CA VAL A 113 122.917 10.265 8.381 1.00 0.00 C ATOM 1323 C VAL A 113 124.410 10.028 8.641 1.00 0.00 C ATOM 1324 O VAL A 113 125.014 10.671 9.478 1.00 0.00 O ATOM 1325 CB VAL A 113 122.677 11.661 7.786 1.00 0.00 C ATOM 1326 CG1 VAL A 113 123.246 12.748 8.712 1.00 0.00 C ATOM 1327 CG2 VAL A 113 123.355 11.746 6.414 1.00 0.00 C ATOM 0 H VAL A 113 122.470 10.909 10.370 1.00 0.00 H new ATOM 0 HA VAL A 113 122.596 9.475 7.702 1.00 0.00 H new ATOM 0 HB VAL A 113 121.604 11.823 7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 113 123.067 13.730 8.274 1.00 0.00 H new ATOM 0 HG12 VAL A 113 122.757 12.690 9.685 1.00 0.00 H new ATOM 0 HG13 VAL A 113 124.318 12.596 8.835 1.00 0.00 H new ATOM 0 HG21 VAL A 113 123.188 12.735 5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 113 124.426 11.575 6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 113 122.934 10.989 5.753 1.00 0.00 H new ATOM 1337 N ILE A 114 125.003 9.108 7.922 1.00 0.00 N ATOM 1338 CA ILE A 114 126.457 8.820 8.110 1.00 0.00 C ATOM 1339 C ILE A 114 127.180 8.883 6.750 1.00 0.00 C ATOM 1340 O ILE A 114 126.662 8.396 5.765 1.00 0.00 O ATOM 1341 CB ILE A 114 126.509 7.402 8.693 1.00 0.00 C ATOM 1342 CG1 ILE A 114 125.769 7.373 10.034 1.00 0.00 C ATOM 1343 CG2 ILE A 114 127.965 6.987 8.913 1.00 0.00 C ATOM 1344 CD1 ILE A 114 125.411 5.929 10.391 1.00 0.00 C ATOM 0 H ILE A 114 124.540 8.542 7.210 1.00 0.00 H new ATOM 0 HA ILE A 114 126.947 9.540 8.765 1.00 0.00 H new ATOM 0 HB ILE A 114 126.035 6.711 7.996 1.00 0.00 H new ATOM 0 HG12 ILE A 114 126.393 7.807 10.815 1.00 0.00 H new ATOM 0 HG13 ILE A 114 124.865 7.979 9.975 1.00 0.00 H new ATOM 0 HG21 ILE A 114 127.997 5.979 9.327 1.00 0.00 H new ATOM 0 HG22 ILE A 114 128.496 7.006 7.961 1.00 0.00 H new ATOM 0 HG23 ILE A 114 128.440 7.680 9.607 1.00 0.00 H new ATOM 0 HD11 ILE A 114 124.885 5.910 11.345 1.00 0.00 H new ATOM 0 HD12 ILE A 114 124.770 5.510 9.615 1.00 0.00 H new ATOM 0 HD13 ILE A 114 126.323 5.336 10.468 1.00 0.00 H new ATOM 1356 N PRO A 115 128.354 9.485 6.726 1.00 0.00 N ATOM 1357 CA PRO A 115 129.111 9.597 5.453 1.00 0.00 C ATOM 1358 C PRO A 115 129.761 8.258 5.086 1.00 0.00 C ATOM 1359 O PRO A 115 130.266 7.548 5.934 1.00 0.00 O ATOM 1360 CB PRO A 115 130.176 10.645 5.759 1.00 0.00 C ATOM 1361 CG PRO A 115 130.366 10.596 7.241 1.00 0.00 C ATOM 1362 CD PRO A 115 129.075 10.110 7.848 1.00 0.00 C ATOM 0 HA PRO A 115 128.478 9.867 4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 115 131.106 10.424 5.236 1.00 0.00 H new ATOM 0 HB3 PRO A 115 129.856 11.636 5.436 1.00 0.00 H new ATOM 0 HG2 PRO A 115 131.187 9.928 7.500 1.00 0.00 H new ATOM 0 HG3 PRO A 115 130.624 11.582 7.627 1.00 0.00 H new ATOM 0 HD2 PRO A 115 129.258 9.395 8.650 1.00 0.00 H new ATOM 0 HD3 PRO A 115 128.504 10.933 8.278 1.00 0.00 H new ATOM 1370 N VAL A 116 129.749 7.913 3.821 1.00 0.00 N ATOM 1371 CA VAL A 116 130.363 6.624 3.379 1.00 0.00 C ATOM 1372 C VAL A 116 131.313 6.871 2.199 1.00 0.00 C ATOM 1373 O VAL A 116 130.959 7.526 1.237 1.00 0.00 O ATOM 1374 CB VAL A 116 129.184 5.745 2.950 1.00 0.00 C ATOM 1375 CG1 VAL A 116 129.700 4.384 2.473 1.00 0.00 C ATOM 1376 CG2 VAL A 116 128.241 5.537 4.139 1.00 0.00 C ATOM 0 H VAL A 116 129.338 8.472 3.073 1.00 0.00 H new ATOM 0 HA VAL A 116 130.951 6.153 4.167 1.00 0.00 H new ATOM 0 HB VAL A 116 128.649 6.236 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 116 128.858 3.762 2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 116 130.371 4.526 1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 116 130.238 3.894 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 116 127.402 4.912 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 116 128.781 5.049 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 116 127.868 6.502 4.481 1.00 0.00 H new ATOM 1386 N ARG A 117 132.513 6.350 2.269 1.00 0.00 N ATOM 1387 CA ARG A 117 133.488 6.548 1.154 1.00 0.00 C ATOM 1388 C ARG A 117 133.360 5.415 0.131 1.00 0.00 C ATOM 1389 O ARG A 117 133.261 4.256 0.486 1.00 0.00 O ATOM 1390 CB ARG A 117 134.865 6.519 1.820 1.00 0.00 C ATOM 1391 CG ARG A 117 135.047 7.778 2.671 1.00 0.00 C ATOM 1392 CD ARG A 117 135.337 8.976 1.760 1.00 0.00 C ATOM 1393 NE ARG A 117 136.826 9.137 1.782 1.00 0.00 N ATOM 1394 CZ ARG A 117 137.409 10.180 1.225 1.00 0.00 C ATOM 1395 NH1 ARG A 117 136.711 11.197 0.775 1.00 0.00 N ATOM 1396 NH2 ARG A 117 138.710 10.206 1.123 1.00 0.00 N ATOM 0 H ARG A 117 132.859 5.795 3.052 1.00 0.00 H new ATOM 0 HA ARG A 117 133.316 7.481 0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 117 134.961 5.629 2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 117 135.646 6.463 1.062 1.00 0.00 H new ATOM 0 HG2 ARG A 117 134.149 7.965 3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 117 135.866 7.637 3.376 1.00 0.00 H new ATOM 0 HD2 ARG A 117 134.976 8.797 0.747 1.00 0.00 H new ATOM 0 HD3 ARG A 117 134.839 9.875 2.122 1.00 0.00 H new ATOM 0 HE ARG A 117 137.400 8.426 2.236 1.00 0.00 H new ATOM 0 HH11 ARG A 117 135.694 11.192 0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 117 137.186 11.992 0.348 1.00 0.00 H new ATOM 0 HH21 ARG A 117 139.265 9.425 1.472 1.00 0.00 H new ATOM 0 HH22 ARG A 117 139.172 11.008 0.694 1.00 0.00 H new ATOM 1410 N ARG A 118 133.363 5.745 -1.137 1.00 0.00 N ATOM 1411 CA ARG A 118 133.241 4.691 -2.193 1.00 0.00 C ATOM 1412 C ARG A 118 134.495 3.810 -2.205 1.00 0.00 C ATOM 1413 O ARG A 118 135.600 4.291 -2.375 1.00 0.00 O ATOM 1414 CB ARG A 118 133.114 5.462 -3.512 1.00 0.00 C ATOM 1415 CG ARG A 118 132.981 4.481 -4.682 1.00 0.00 C ATOM 1416 CD ARG A 118 132.859 5.264 -5.992 1.00 0.00 C ATOM 1417 NE ARG A 118 133.184 4.276 -7.066 1.00 0.00 N ATOM 1418 CZ ARG A 118 132.249 3.536 -7.627 1.00 0.00 C ATOM 1419 NH1 ARG A 118 131.031 3.480 -7.140 1.00 0.00 N ATOM 1420 NH2 ARG A 118 132.542 2.836 -8.690 1.00 0.00 N ATOM 0 H ARG A 118 133.445 6.699 -1.487 1.00 0.00 H new ATOM 0 HA ARG A 118 132.389 4.032 -2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 118 132.245 6.119 -3.477 1.00 0.00 H new ATOM 0 HB3 ARG A 118 133.988 6.097 -3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 118 133.849 3.822 -4.719 1.00 0.00 H new ATOM 0 HG3 ARG A 118 132.105 3.847 -4.542 1.00 0.00 H new ATOM 0 HD2 ARG A 118 131.854 5.668 -6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 118 133.547 6.109 -6.012 1.00 0.00 H new ATOM 0 HE ARG A 118 134.152 4.172 -7.372 1.00 0.00 H new ATOM 0 HH11 ARG A 118 130.789 4.018 -6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 118 130.326 2.899 -7.594 1.00 0.00 H new ATOM 0 HH21 ARG A 118 133.485 2.866 -9.076 1.00 0.00 H new ATOM 0 HH22 ARG A 118 131.827 2.259 -9.134 1.00 0.00 H new ATOM 1434 N ARG A 119 134.328 2.523 -2.028 1.00 0.00 N ATOM 1435 CA ARG A 119 135.504 1.601 -2.033 1.00 0.00 C ATOM 1436 C ARG A 119 135.284 0.455 -3.026 1.00 0.00 C ATOM 1437 O ARG A 119 135.893 -0.594 -2.914 1.00 0.00 O ATOM 1438 CB ARG A 119 135.591 1.063 -0.606 1.00 0.00 C ATOM 1439 CG ARG A 119 135.950 2.203 0.348 1.00 0.00 C ATOM 1440 CD ARG A 119 137.443 2.517 0.229 1.00 0.00 C ATOM 1441 NE ARG A 119 137.670 3.668 1.154 1.00 0.00 N ATOM 1442 CZ ARG A 119 138.851 3.888 1.696 1.00 0.00 C ATOM 1443 NH1 ARG A 119 139.919 3.236 1.300 1.00 0.00 N ATOM 1444 NH2 ARG A 119 138.960 4.777 2.645 1.00 0.00 N ATOM 0 H ARG A 119 133.426 2.071 -1.880 1.00 0.00 H new ATOM 0 HA ARG A 119 136.420 2.108 -2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 119 134.640 0.617 -0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 119 136.343 0.276 -0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 119 135.361 3.089 0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 119 135.707 1.924 1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 119 138.051 1.658 0.512 1.00 0.00 H new ATOM 0 HD3 ARG A 119 137.712 2.775 -0.795 1.00 0.00 H new ATOM 0 HE ARG A 119 136.896 4.296 1.370 1.00 0.00 H new ATOM 0 HH11 ARG A 119 139.846 2.541 0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 119 140.822 3.424 1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 119 138.137 5.292 2.959 1.00 0.00 H new ATOM 0 HH22 ARG A 119 139.868 4.957 3.073 1.00 0.00 H new ATOM 1458 N GLY A 120 134.422 0.643 -3.995 1.00 0.00 N ATOM 1459 CA GLY A 120 134.163 -0.437 -4.993 1.00 0.00 C ATOM 1460 C GLY A 120 132.923 -0.086 -5.815 1.00 0.00 C ATOM 1461 O GLY A 120 132.349 0.977 -5.668 1.00 0.00 O ATOM 0 H GLY A 120 133.887 1.500 -4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 120 135.026 -0.555 -5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 120 134.017 -1.390 -4.484 1.00 0.00 H new ATOM 1465 N ASP A 121 132.510 -0.974 -6.684 1.00 0.00 N ATOM 1466 CA ASP A 121 131.306 -0.701 -7.528 1.00 0.00 C ATOM 1467 C ASP A 121 130.030 -0.735 -6.678 1.00 0.00 C ATOM 1468 O ASP A 121 129.144 0.080 -6.847 1.00 0.00 O ATOM 1469 CB ASP A 121 131.284 -1.822 -8.568 1.00 0.00 C ATOM 1470 CG ASP A 121 132.515 -1.707 -9.468 1.00 0.00 C ATOM 1471 OD1 ASP A 121 133.143 -2.724 -9.713 1.00 0.00 O ATOM 1472 OD2 ASP A 121 132.813 -0.603 -9.895 1.00 0.00 O ATOM 0 H ASP A 121 132.955 -1.877 -6.846 1.00 0.00 H new ATOM 0 HA ASP A 121 131.349 0.286 -7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 121 131.272 -2.793 -8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 121 130.375 -1.759 -9.167 1.00 0.00 H new ATOM 1477 N SER A 122 129.931 -1.677 -5.772 1.00 0.00 N ATOM 1478 CA SER A 122 128.708 -1.771 -4.915 1.00 0.00 C ATOM 1479 C SER A 122 129.077 -1.905 -3.430 1.00 0.00 C ATOM 1480 O SER A 122 128.238 -2.229 -2.610 1.00 0.00 O ATOM 1481 CB SER A 122 127.990 -3.030 -5.397 1.00 0.00 C ATOM 1482 OG SER A 122 128.934 -4.082 -5.542 1.00 0.00 O ATOM 0 H SER A 122 130.643 -2.384 -5.589 1.00 0.00 H new ATOM 0 HA SER A 122 128.089 -0.877 -4.998 1.00 0.00 H new ATOM 0 HB2 SER A 122 127.216 -3.316 -4.685 1.00 0.00 H new ATOM 0 HB3 SER A 122 127.493 -2.838 -6.348 1.00 0.00 H new ATOM 0 HG SER A 122 128.476 -4.892 -5.850 1.00 0.00 H new ATOM 1488 N ARG A 123 130.317 -1.661 -3.074 1.00 0.00 N ATOM 1489 CA ARG A 123 130.722 -1.777 -1.641 1.00 0.00 C ATOM 1490 C ARG A 123 131.481 -0.522 -1.201 1.00 0.00 C ATOM 1491 O ARG A 123 132.303 0.004 -1.927 1.00 0.00 O ATOM 1492 CB ARG A 123 131.627 -3.011 -1.585 1.00 0.00 C ATOM 1493 CG ARG A 123 132.109 -3.237 -0.149 1.00 0.00 C ATOM 1494 CD ARG A 123 132.690 -4.647 -0.020 1.00 0.00 C ATOM 1495 NE ARG A 123 133.908 -4.648 -0.889 1.00 0.00 N ATOM 1496 CZ ARG A 123 134.862 -5.543 -0.728 1.00 0.00 C ATOM 1497 NH1 ARG A 123 134.701 -6.584 0.057 1.00 0.00 N ATOM 1498 NH2 ARG A 123 135.991 -5.395 -1.367 1.00 0.00 N ATOM 0 H ARG A 123 131.062 -1.387 -3.714 1.00 0.00 H new ATOM 0 HA ARG A 123 129.866 -1.873 -0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 123 131.084 -3.888 -1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 123 132.482 -2.877 -2.248 1.00 0.00 H new ATOM 0 HG2 ARG A 123 132.864 -2.496 0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 123 131.281 -3.108 0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 123 132.944 -4.875 1.015 1.00 0.00 H new ATOM 0 HD3 ARG A 123 131.973 -5.400 -0.346 1.00 0.00 H new ATOM 0 HE ARG A 123 134.002 -3.943 -1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 123 133.822 -6.713 0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 123 135.455 -7.263 0.165 1.00 0.00 H new ATOM 0 HH21 ARG A 123 136.127 -4.593 -1.983 1.00 0.00 H new ATOM 0 HH22 ARG A 123 136.737 -6.081 -1.250 1.00 0.00 H new ATOM 1512 N GLY A 124 131.206 -0.042 -0.015 1.00 0.00 N ATOM 1513 CA GLY A 124 131.904 1.178 0.487 1.00 0.00 C ATOM 1514 C GLY A 124 132.292 0.972 1.953 1.00 0.00 C ATOM 1515 O GLY A 124 131.692 0.180 2.653 1.00 0.00 O ATOM 0 H GLY A 124 130.525 -0.445 0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 124 132.793 1.375 -0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 124 131.255 2.048 0.390 1.00 0.00 H new ATOM 1519 N SER A 125 133.288 1.679 2.420 1.00 0.00 N ATOM 1520 CA SER A 125 133.718 1.527 3.843 1.00 0.00 C ATOM 1521 C SER A 125 132.888 2.444 4.746 1.00 0.00 C ATOM 1522 O SER A 125 132.302 3.408 4.291 1.00 0.00 O ATOM 1523 CB SER A 125 135.188 1.939 3.860 1.00 0.00 C ATOM 1524 OG SER A 125 135.322 3.227 3.271 1.00 0.00 O ATOM 0 H SER A 125 133.823 2.356 1.877 1.00 0.00 H new ATOM 0 HA SER A 125 133.579 0.511 4.211 1.00 0.00 H new ATOM 0 HB2 SER A 125 135.562 1.954 4.884 1.00 0.00 H new ATOM 0 HB3 SER A 125 135.788 1.212 3.313 1.00 0.00 H new ATOM 0 HG SER A 125 136.265 3.495 3.282 1.00 0.00 H new ATOM 1530 N LEU A 126 132.839 2.149 6.020 1.00 0.00 N ATOM 1531 CA LEU A 126 132.048 3.000 6.959 1.00 0.00 C ATOM 1532 C LEU A 126 132.992 3.814 7.851 1.00 0.00 C ATOM 1533 O LEU A 126 133.896 3.278 8.464 1.00 0.00 O ATOM 1534 CB LEU A 126 131.231 2.016 7.797 1.00 0.00 C ATOM 1535 CG LEU A 126 130.327 2.790 8.758 1.00 0.00 C ATOM 1536 CD1 LEU A 126 129.275 3.560 7.959 1.00 0.00 C ATOM 1537 CD2 LEU A 126 129.631 1.810 9.704 1.00 0.00 C ATOM 0 H LEU A 126 133.313 1.355 6.451 1.00 0.00 H new ATOM 0 HA LEU A 126 131.410 3.712 6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 126 130.629 1.381 7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 126 131.897 1.359 8.357 1.00 0.00 H new ATOM 0 HG LEU A 126 130.928 3.490 9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 126 128.630 4.112 8.643 1.00 0.00 H new ATOM 0 HD12 LEU A 126 129.770 4.258 7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 126 128.674 2.860 7.379 1.00 0.00 H new ATOM 0 HD21 LEU A 126 128.987 2.361 10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 126 129.030 1.110 9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 126 130.380 1.260 10.274 1.00 0.00 H new ATOM 1549 N LEU A 127 132.788 5.104 7.919 1.00 0.00 N ATOM 1550 CA LEU A 127 133.672 5.965 8.765 1.00 0.00 C ATOM 1551 C LEU A 127 133.586 5.536 10.233 1.00 0.00 C ATOM 1552 O LEU A 127 134.578 5.509 10.938 1.00 0.00 O ATOM 1553 CB LEU A 127 133.138 7.389 8.589 1.00 0.00 C ATOM 1554 CG LEU A 127 134.182 8.392 9.090 1.00 0.00 C ATOM 1555 CD1 LEU A 127 134.171 9.631 8.193 1.00 0.00 C ATOM 1556 CD2 LEU A 127 133.850 8.800 10.528 1.00 0.00 C ATOM 0 H LEU A 127 132.047 5.600 7.425 1.00 0.00 H new ATOM 0 HA LEU A 127 134.719 5.887 8.473 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.912 7.577 7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 127 132.207 7.510 9.142 1.00 0.00 H new ATOM 0 HG LEU A 127 135.170 7.932 9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 127 134.914 10.345 8.549 1.00 0.00 H new ATOM 0 HD12 LEU A 127 134.408 9.341 7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 127 133.183 10.091 8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 127 134.593 9.514 10.884 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.862 9.260 10.557 1.00 0.00 H new ATOM 0 HD23 LEU A 127 133.858 7.918 11.168 1.00 0.00 H new ATOM 1568 N SER A 128 132.407 5.205 10.699 1.00 0.00 N ATOM 1569 CA SER A 128 132.250 4.780 12.123 1.00 0.00 C ATOM 1570 C SER A 128 131.779 3.316 12.196 1.00 0.00 C ATOM 1571 O SER A 128 130.615 3.040 11.984 1.00 0.00 O ATOM 1572 CB SER A 128 131.183 5.712 12.695 1.00 0.00 C ATOM 1573 OG SER A 128 131.699 7.035 12.762 1.00 0.00 O ATOM 0 H SER A 128 131.545 5.211 10.153 1.00 0.00 H new ATOM 0 HA SER A 128 133.187 4.839 12.677 1.00 0.00 H new ATOM 0 HB2 SER A 128 130.291 5.689 12.069 1.00 0.00 H new ATOM 0 HB3 SER A 128 130.885 5.375 13.688 1.00 0.00 H new ATOM 0 HG SER A 128 131.015 7.635 13.127 1.00 0.00 H new ATOM 1579 N PRO A 129 132.694 2.415 12.497 1.00 0.00 N ATOM 1580 CA PRO A 129 132.327 0.981 12.591 1.00 0.00 C ATOM 1581 C PRO A 129 131.543 0.711 13.879 1.00 0.00 C ATOM 1582 O PRO A 129 132.009 0.988 14.968 1.00 0.00 O ATOM 1583 CB PRO A 129 133.671 0.262 12.615 1.00 0.00 C ATOM 1584 CG PRO A 129 134.643 1.267 13.146 1.00 0.00 C ATOM 1585 CD PRO A 129 134.124 2.632 12.771 1.00 0.00 C ATOM 0 HA PRO A 129 131.689 0.651 11.771 1.00 0.00 H new ATOM 0 HB2 PRO A 129 133.633 -0.623 13.250 1.00 0.00 H new ATOM 0 HB3 PRO A 129 133.956 -0.073 11.618 1.00 0.00 H new ATOM 0 HG2 PRO A 129 134.738 1.176 14.228 1.00 0.00 H new ATOM 0 HG3 PRO A 129 135.635 1.103 12.724 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.270 3.349 13.579 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.641 3.028 11.897 1.00 0.00 H new ATOM 1593 N ARG A 130 130.356 0.170 13.758 1.00 0.00 N ATOM 1594 CA ARG A 130 129.534 -0.125 14.970 1.00 0.00 C ATOM 1595 C ARG A 130 128.980 -1.559 14.899 1.00 0.00 C ATOM 1596 O ARG A 130 129.107 -2.213 13.884 1.00 0.00 O ATOM 1597 CB ARG A 130 128.403 0.907 14.941 1.00 0.00 C ATOM 1598 CG ARG A 130 128.795 2.113 15.797 1.00 0.00 C ATOM 1599 CD ARG A 130 128.041 3.354 15.315 1.00 0.00 C ATOM 1600 NE ARG A 130 128.323 4.403 16.345 1.00 0.00 N ATOM 1601 CZ ARG A 130 127.826 4.320 17.564 1.00 0.00 C ATOM 1602 NH1 ARG A 130 126.911 3.430 17.872 1.00 0.00 N ATOM 1603 NH2 ARG A 130 128.252 5.141 18.485 1.00 0.00 N ATOM 0 H ARG A 130 129.921 -0.080 12.870 1.00 0.00 H new ATOM 0 HA ARG A 130 130.111 -0.061 15.892 1.00 0.00 H new ATOM 0 HB2 ARG A 130 128.209 1.222 13.916 1.00 0.00 H new ATOM 0 HB3 ARG A 130 127.481 0.464 15.318 1.00 0.00 H new ATOM 0 HG2 ARG A 130 128.563 1.919 16.844 1.00 0.00 H new ATOM 0 HG3 ARG A 130 129.870 2.282 15.734 1.00 0.00 H new ATOM 0 HD2 ARG A 130 128.385 3.667 14.329 1.00 0.00 H new ATOM 0 HD3 ARG A 130 126.972 3.159 15.233 1.00 0.00 H new ATOM 0 HE ARG A 130 128.912 5.199 16.099 1.00 0.00 H new ATOM 0 HH11 ARG A 130 126.569 2.783 17.161 1.00 0.00 H new ATOM 0 HH12 ARG A 130 126.542 3.386 18.822 1.00 0.00 H new ATOM 0 HH21 ARG A 130 128.962 5.837 18.259 1.00 0.00 H new ATOM 0 HH22 ARG A 130 127.875 5.086 19.431 1.00 0.00 H new ATOM 1617 N PRO A 131 128.391 -2.015 15.987 1.00 0.00 N ATOM 1618 CA PRO A 131 127.831 -3.397 16.028 1.00 0.00 C ATOM 1619 C PRO A 131 126.651 -3.549 15.062 1.00 0.00 C ATOM 1620 O PRO A 131 125.930 -2.611 14.798 1.00 0.00 O ATOM 1621 CB PRO A 131 127.369 -3.553 17.477 1.00 0.00 C ATOM 1622 CG PRO A 131 127.140 -2.155 17.949 1.00 0.00 C ATOM 1623 CD PRO A 131 128.178 -1.312 17.266 1.00 0.00 C ATOM 0 HA PRO A 131 128.557 -4.152 15.726 1.00 0.00 H new ATOM 0 HB2 PRO A 131 126.458 -4.148 17.541 1.00 0.00 H new ATOM 0 HB3 PRO A 131 128.122 -4.058 18.082 1.00 0.00 H new ATOM 0 HG2 PRO A 131 126.135 -1.817 17.696 1.00 0.00 H new ATOM 0 HG3 PRO A 131 127.235 -2.089 19.033 1.00 0.00 H new ATOM 0 HD2 PRO A 131 127.830 -0.291 17.112 1.00 0.00 H new ATOM 0 HD3 PRO A 131 129.096 -1.251 17.850 1.00 0.00 H new ATOM 1631 N VAL A 132 126.444 -4.735 14.538 1.00 0.00 N ATOM 1632 CA VAL A 132 125.302 -4.962 13.590 1.00 0.00 C ATOM 1633 C VAL A 132 123.982 -4.510 14.236 1.00 0.00 C ATOM 1634 O VAL A 132 123.058 -4.108 13.555 1.00 0.00 O ATOM 1635 CB VAL A 132 125.298 -6.477 13.319 1.00 0.00 C ATOM 1636 CG1 VAL A 132 124.081 -6.872 12.462 1.00 0.00 C ATOM 1637 CG2 VAL A 132 126.584 -6.859 12.576 1.00 0.00 C ATOM 0 H VAL A 132 127.017 -5.558 14.726 1.00 0.00 H new ATOM 0 HA VAL A 132 125.408 -4.393 12.666 1.00 0.00 H new ATOM 0 HB VAL A 132 125.242 -7.004 14.271 1.00 0.00 H new ATOM 0 HG11 VAL A 132 124.097 -7.947 12.282 1.00 0.00 H new ATOM 0 HG12 VAL A 132 123.164 -6.605 12.988 1.00 0.00 H new ATOM 0 HG13 VAL A 132 124.120 -6.344 11.509 1.00 0.00 H new ATOM 0 HG21 VAL A 132 126.587 -7.931 12.381 1.00 0.00 H new ATOM 0 HG22 VAL A 132 126.632 -6.318 11.631 1.00 0.00 H new ATOM 0 HG23 VAL A 132 127.448 -6.599 13.187 1.00 0.00 H new ATOM 1647 N SER A 133 123.899 -4.566 15.541 1.00 0.00 N ATOM 1648 CA SER A 133 122.647 -4.133 16.234 1.00 0.00 C ATOM 1649 C SER A 133 122.411 -2.645 15.985 1.00 0.00 C ATOM 1650 O SER A 133 121.287 -2.182 15.929 1.00 0.00 O ATOM 1651 CB SER A 133 122.894 -4.398 17.721 1.00 0.00 C ATOM 1652 OG SER A 133 121.820 -3.855 18.478 1.00 0.00 O ATOM 0 H SER A 133 124.644 -4.893 16.157 1.00 0.00 H new ATOM 0 HA SER A 133 121.767 -4.666 15.874 1.00 0.00 H new ATOM 0 HB2 SER A 133 122.977 -5.470 17.903 1.00 0.00 H new ATOM 0 HB3 SER A 133 123.837 -3.948 18.031 1.00 0.00 H new ATOM 0 HG SER A 133 121.973 -4.024 19.431 1.00 0.00 H new ATOM 1658 N TYR A 134 123.471 -1.895 15.831 1.00 0.00 N ATOM 1659 CA TYR A 134 123.333 -0.432 15.579 1.00 0.00 C ATOM 1660 C TYR A 134 122.642 -0.207 14.224 1.00 0.00 C ATOM 1661 O TYR A 134 121.813 0.672 14.074 1.00 0.00 O ATOM 1662 CB TYR A 134 124.791 0.118 15.632 1.00 0.00 C ATOM 1663 CG TYR A 134 125.183 0.849 14.359 1.00 0.00 C ATOM 1664 CD1 TYR A 134 125.953 0.202 13.392 1.00 0.00 C ATOM 1665 CD2 TYR A 134 124.767 2.161 14.157 1.00 0.00 C ATOM 1666 CE1 TYR A 134 126.312 0.872 12.218 1.00 0.00 C ATOM 1667 CE2 TYR A 134 125.122 2.838 12.984 1.00 0.00 C ATOM 1668 CZ TYR A 134 125.897 2.193 12.012 1.00 0.00 C ATOM 1669 OH TYR A 134 126.249 2.856 10.855 1.00 0.00 O ATOM 0 H TYR A 134 124.431 -2.236 15.869 1.00 0.00 H new ATOM 0 HA TYR A 134 122.711 0.087 16.309 1.00 0.00 H new ATOM 0 HB2 TYR A 134 124.890 0.794 16.481 1.00 0.00 H new ATOM 0 HB3 TYR A 134 125.482 -0.708 15.800 1.00 0.00 H new ATOM 0 HD1 TYR A 134 126.272 -0.818 13.550 1.00 0.00 H new ATOM 0 HD2 TYR A 134 124.169 2.658 14.906 1.00 0.00 H new ATOM 0 HE1 TYR A 134 126.909 0.371 11.471 1.00 0.00 H new ATOM 0 HE2 TYR A 134 124.798 3.857 12.829 1.00 0.00 H new ATOM 0 HH TYR A 134 125.439 3.123 10.372 1.00 0.00 H new ATOM 1679 N LEU A 135 123.000 -0.988 13.244 1.00 0.00 N ATOM 1680 CA LEU A 135 122.399 -0.830 11.891 1.00 0.00 C ATOM 1681 C LEU A 135 121.327 -1.896 11.639 1.00 0.00 C ATOM 1682 O LEU A 135 120.955 -2.147 10.509 1.00 0.00 O ATOM 1683 CB LEU A 135 123.580 -1.020 10.938 1.00 0.00 C ATOM 1684 CG LEU A 135 123.277 -0.380 9.580 1.00 0.00 C ATOM 1685 CD1 LEU A 135 123.040 1.124 9.745 1.00 0.00 C ATOM 1686 CD2 LEU A 135 124.470 -0.598 8.651 1.00 0.00 C ATOM 0 H LEU A 135 123.689 -1.736 13.323 1.00 0.00 H new ATOM 0 HA LEU A 135 121.904 0.133 11.765 1.00 0.00 H new ATOM 0 HB2 LEU A 135 124.477 -0.573 11.366 1.00 0.00 H new ATOM 0 HB3 LEU A 135 123.784 -2.083 10.809 1.00 0.00 H new ATOM 0 HG LEU A 135 122.381 -0.838 9.160 1.00 0.00 H new ATOM 0 HD11 LEU A 135 122.826 1.567 8.773 1.00 0.00 H new ATOM 0 HD12 LEU A 135 122.194 1.288 10.413 1.00 0.00 H new ATOM 0 HD13 LEU A 135 123.931 1.589 10.167 1.00 0.00 H new ATOM 0 HD21 LEU A 135 124.263 -0.146 7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 135 125.358 -0.137 9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 135 124.641 -1.667 8.524 1.00 0.00 H new ATOM 1698 N LYS A 136 120.832 -2.526 12.678 1.00 0.00 N ATOM 1699 CA LYS A 136 119.789 -3.578 12.482 1.00 0.00 C ATOM 1700 C LYS A 136 118.397 -2.946 12.399 1.00 0.00 C ATOM 1701 O LYS A 136 118.058 -2.064 13.165 1.00 0.00 O ATOM 1702 CB LYS A 136 119.904 -4.491 13.701 1.00 0.00 C ATOM 1703 CG LYS A 136 119.539 -5.917 13.287 1.00 0.00 C ATOM 1704 CD LYS A 136 120.000 -6.898 14.368 1.00 0.00 C ATOM 1705 CE LYS A 136 119.666 -8.328 13.935 1.00 0.00 C ATOM 1706 NZ LYS A 136 120.708 -9.177 14.578 1.00 0.00 N ATOM 0 H LYS A 136 121.104 -2.358 13.647 1.00 0.00 H new ATOM 0 HA LYS A 136 119.933 -4.129 11.553 1.00 0.00 H new ATOM 0 HB2 LYS A 136 120.918 -4.462 14.100 1.00 0.00 H new ATOM 0 HB3 LYS A 136 119.240 -4.147 14.494 1.00 0.00 H new ATOM 0 HG2 LYS A 136 118.462 -6.000 13.141 1.00 0.00 H new ATOM 0 HG3 LYS A 136 120.009 -6.162 12.335 1.00 0.00 H new ATOM 0 HD2 LYS A 136 121.073 -6.797 14.532 1.00 0.00 H new ATOM 0 HD3 LYS A 136 119.510 -6.669 15.315 1.00 0.00 H new ATOM 0 HE2 LYS A 136 118.666 -8.616 14.260 1.00 0.00 H new ATOM 0 HE3 LYS A 136 119.689 -8.428 12.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 120.547 -10.174 14.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 121.649 -8.884 14.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 120.657 -9.067 15.611 1.00 0.00 H new ATOM 1720 N GLY A 137 117.596 -3.391 11.463 1.00 0.00 N ATOM 1721 CA GLY A 137 116.224 -2.822 11.307 1.00 0.00 C ATOM 1722 C GLY A 137 116.294 -1.515 10.510 1.00 0.00 C ATOM 1723 O GLY A 137 115.423 -0.672 10.615 1.00 0.00 O ATOM 0 H GLY A 137 117.835 -4.127 10.798 1.00 0.00 H new ATOM 0 HA2 GLY A 137 115.579 -3.537 10.796 1.00 0.00 H new ATOM 0 HA3 GLY A 137 115.782 -2.639 12.287 1.00 0.00 H new ATOM 1727 N SER A 138 117.321 -1.342 9.713 1.00 0.00 N ATOM 1728 CA SER A 138 117.448 -0.091 8.908 1.00 0.00 C ATOM 1729 C SER A 138 117.481 -0.406 7.403 1.00 0.00 C ATOM 1730 O SER A 138 117.784 0.454 6.598 1.00 0.00 O ATOM 1731 CB SER A 138 118.772 0.529 9.352 1.00 0.00 C ATOM 1732 OG SER A 138 118.770 0.672 10.766 1.00 0.00 O ATOM 0 H SER A 138 118.077 -2.015 9.587 1.00 0.00 H new ATOM 0 HA SER A 138 116.603 0.579 9.065 1.00 0.00 H new ATOM 0 HB2 SER A 138 119.605 -0.101 9.039 1.00 0.00 H new ATOM 0 HB3 SER A 138 118.910 1.500 8.876 1.00 0.00 H new ATOM 0 HG SER A 138 119.618 1.068 11.056 1.00 0.00 H new ATOM 1738 N SER A 139 117.177 -1.625 7.015 1.00 0.00 N ATOM 1739 CA SER A 139 117.196 -1.977 5.559 1.00 0.00 C ATOM 1740 C SER A 139 116.220 -1.089 4.784 1.00 0.00 C ATOM 1741 O SER A 139 115.274 -0.562 5.339 1.00 0.00 O ATOM 1742 CB SER A 139 116.742 -3.435 5.484 1.00 0.00 C ATOM 1743 OG SER A 139 117.482 -4.212 6.412 1.00 0.00 O ATOM 0 H SER A 139 116.918 -2.387 7.642 1.00 0.00 H new ATOM 0 HA SER A 139 118.185 -1.833 5.124 1.00 0.00 H new ATOM 0 HB2 SER A 139 115.677 -3.506 5.703 1.00 0.00 H new ATOM 0 HB3 SER A 139 116.887 -3.820 4.475 1.00 0.00 H new ATOM 0 HG SER A 139 117.189 -5.146 6.364 1.00 0.00 H new ATOM 1749 N GLY A 140 116.442 -0.928 3.505 1.00 0.00 N ATOM 1750 CA GLY A 140 115.529 -0.082 2.683 1.00 0.00 C ATOM 1751 C GLY A 140 116.009 1.377 2.672 1.00 0.00 C ATOM 1752 O GLY A 140 115.546 2.175 1.878 1.00 0.00 O ATOM 0 H GLY A 140 117.219 -1.348 2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 140 115.489 -0.465 1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 140 114.517 -0.135 3.083 1.00 0.00 H new ATOM 1756 N GLY A 141 116.928 1.737 3.540 1.00 0.00 N ATOM 1757 CA GLY A 141 117.425 3.146 3.566 1.00 0.00 C ATOM 1758 C GLY A 141 118.148 3.452 2.243 1.00 0.00 C ATOM 1759 O GLY A 141 119.113 2.791 1.914 1.00 0.00 O ATOM 0 H GLY A 141 117.352 1.115 4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 141 116.593 3.835 3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 141 118.104 3.289 4.407 1.00 0.00 H new ATOM 1763 N PRO A 142 117.667 4.438 1.509 1.00 0.00 N ATOM 1764 CA PRO A 142 118.306 4.785 0.217 1.00 0.00 C ATOM 1765 C PRO A 142 119.585 5.601 0.435 1.00 0.00 C ATOM 1766 O PRO A 142 119.673 6.412 1.336 1.00 0.00 O ATOM 1767 CB PRO A 142 117.252 5.626 -0.495 1.00 0.00 C ATOM 1768 CG PRO A 142 116.410 6.214 0.594 1.00 0.00 C ATOM 1769 CD PRO A 142 116.510 5.304 1.793 1.00 0.00 C ATOM 0 HA PRO A 142 118.605 3.903 -0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 142 117.715 6.407 -1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 142 116.652 5.015 -1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 142 116.755 7.217 0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 142 115.374 6.306 0.269 1.00 0.00 H new ATOM 0 HD2 PRO A 142 116.657 5.873 2.711 1.00 0.00 H new ATOM 0 HD3 PRO A 142 115.600 4.719 1.923 1.00 0.00 H new ATOM 1777 N LEU A 143 120.570 5.394 -0.403 1.00 0.00 N ATOM 1778 CA LEU A 143 121.849 6.154 -0.280 1.00 0.00 C ATOM 1779 C LEU A 143 121.852 7.298 -1.297 1.00 0.00 C ATOM 1780 O LEU A 143 121.731 7.073 -2.486 1.00 0.00 O ATOM 1781 CB LEU A 143 122.942 5.136 -0.613 1.00 0.00 C ATOM 1782 CG LEU A 143 123.235 4.264 0.619 1.00 0.00 C ATOM 1783 CD1 LEU A 143 123.302 2.791 0.206 1.00 0.00 C ATOM 1784 CD2 LEU A 143 124.578 4.676 1.232 1.00 0.00 C ATOM 0 H LEU A 143 120.541 4.725 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 143 121.993 6.591 0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 143 122.626 4.509 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 143 123.849 5.652 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 143 122.439 4.401 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 143 123.510 2.177 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 143 122.349 2.491 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 143 124.095 2.655 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 143 124.785 4.057 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 143 125.371 4.541 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 143 124.535 5.723 1.531 1.00 0.00 H new ATOM 1796 N LEU A 144 121.974 8.519 -0.840 1.00 0.00 N ATOM 1797 CA LEU A 144 121.964 9.676 -1.786 1.00 0.00 C ATOM 1798 C LEU A 144 123.282 10.453 -1.727 1.00 0.00 C ATOM 1799 O LEU A 144 123.975 10.454 -0.728 1.00 0.00 O ATOM 1800 CB LEU A 144 120.809 10.560 -1.318 1.00 0.00 C ATOM 1801 CG LEU A 144 119.498 10.039 -1.906 1.00 0.00 C ATOM 1802 CD1 LEU A 144 118.863 9.041 -0.935 1.00 0.00 C ATOM 1803 CD2 LEU A 144 118.540 11.212 -2.130 1.00 0.00 C ATOM 0 H LEU A 144 122.080 8.764 0.144 1.00 0.00 H new ATOM 0 HA LEU A 144 121.846 9.347 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 144 120.756 10.562 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 144 120.976 11.591 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 144 119.697 9.544 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 144 117.928 8.670 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 144 119.545 8.206 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 144 118.663 9.535 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 144 117.604 10.843 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 144 118.341 11.706 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 144 118.991 11.924 -2.821 1.00 0.00 H new ATOM 1815 N CYS A 145 123.615 11.124 -2.799 1.00 0.00 N ATOM 1816 CA CYS A 145 124.872 11.925 -2.839 1.00 0.00 C ATOM 1817 C CYS A 145 124.554 13.390 -2.504 1.00 0.00 C ATOM 1818 O CYS A 145 123.400 13.739 -2.349 1.00 0.00 O ATOM 1819 CB CYS A 145 125.366 11.799 -4.287 1.00 0.00 C ATOM 1820 SG CYS A 145 126.715 10.592 -4.376 1.00 0.00 S ATOM 0 H CYS A 145 123.063 11.151 -3.656 1.00 0.00 H new ATOM 0 HA CYS A 145 125.619 11.582 -2.123 1.00 0.00 H new ATOM 0 HB2 CYS A 145 124.546 11.489 -4.935 1.00 0.00 H new ATOM 0 HB3 CYS A 145 125.709 12.768 -4.649 1.00 0.00 H new ATOM 0 HG CYS A 145 126.634 9.932 -5.493 1.00 0.00 H new ATOM 1825 N PRO A 146 125.576 14.213 -2.404 1.00 0.00 N ATOM 1826 CA PRO A 146 125.349 15.647 -2.088 1.00 0.00 C ATOM 1827 C PRO A 146 124.644 16.347 -3.256 1.00 0.00 C ATOM 1828 O PRO A 146 123.970 17.343 -3.075 1.00 0.00 O ATOM 1829 CB PRO A 146 126.758 16.200 -1.878 1.00 0.00 C ATOM 1830 CG PRO A 146 127.647 15.275 -2.643 1.00 0.00 C ATOM 1831 CD PRO A 146 127.010 13.914 -2.572 1.00 0.00 C ATOM 0 HA PRO A 146 124.710 15.799 -1.218 1.00 0.00 H new ATOM 0 HB2 PRO A 146 126.841 17.223 -2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 146 127.022 16.219 -0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 146 127.749 15.602 -3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 146 128.649 15.257 -2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 146 127.196 13.336 -3.477 1.00 0.00 H new ATOM 0 HD3 PRO A 146 127.399 13.332 -1.737 1.00 0.00 H new ATOM 1839 N SER A 147 124.792 15.829 -4.452 1.00 0.00 N ATOM 1840 CA SER A 147 124.126 16.460 -5.633 1.00 0.00 C ATOM 1841 C SER A 147 122.602 16.350 -5.502 1.00 0.00 C ATOM 1842 O SER A 147 121.876 17.272 -5.820 1.00 0.00 O ATOM 1843 CB SER A 147 124.613 15.665 -6.845 1.00 0.00 C ATOM 1844 OG SER A 147 126.034 15.679 -6.875 1.00 0.00 O ATOM 0 H SER A 147 125.345 14.997 -4.660 1.00 0.00 H new ATOM 0 HA SER A 147 124.366 17.520 -5.719 1.00 0.00 H new ATOM 0 HB2 SER A 147 124.249 14.639 -6.792 1.00 0.00 H new ATOM 0 HB3 SER A 147 124.214 16.098 -7.762 1.00 0.00 H new ATOM 0 HG SER A 147 126.350 15.169 -7.650 1.00 0.00 H new ATOM 1850 N GLY A 148 122.118 15.227 -5.031 1.00 0.00 N ATOM 1851 CA GLY A 148 120.644 15.048 -4.872 1.00 0.00 C ATOM 1852 C GLY A 148 120.156 13.913 -5.776 1.00 0.00 C ATOM 1853 O GLY A 148 119.095 13.995 -6.365 1.00 0.00 O ATOM 0 H GLY A 148 122.683 14.426 -4.750 1.00 0.00 H new ATOM 0 HA2 GLY A 148 120.406 14.824 -3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 148 120.127 15.974 -5.125 1.00 0.00 H new ATOM 1857 N HIS A 149 120.921 12.856 -5.887 1.00 0.00 N ATOM 1858 CA HIS A 149 120.504 11.710 -6.754 1.00 0.00 C ATOM 1859 C HIS A 149 120.559 10.398 -5.965 1.00 0.00 C ATOM 1860 O HIS A 149 121.418 10.205 -5.124 1.00 0.00 O ATOM 1861 CB HIS A 149 121.516 11.693 -7.900 1.00 0.00 C ATOM 1862 CG HIS A 149 121.293 12.890 -8.784 1.00 0.00 C ATOM 1863 ND1 HIS A 149 120.187 13.671 -9.010 1.00 0.00 N flip ATOM 1864 CD2 HIS A 149 122.298 13.419 -9.578 1.00 0.00 C flip ATOM 1865 CE1 HIS A 149 120.498 14.669 -9.929 1.00 0.00 C flip ATOM 1866 NE2 HIS A 149 121.782 14.472 -10.239 1.00 0.00 N flip ATOM 0 H HIS A 149 121.817 12.737 -5.415 1.00 0.00 H new ATOM 0 HA HIS A 149 119.481 11.816 -7.115 1.00 0.00 H new ATOM 0 HB2 HIS A 149 122.531 11.705 -7.503 1.00 0.00 H new ATOM 0 HB3 HIS A 149 121.411 10.775 -8.479 1.00 0.00 H new ATOM 0 HD1 HIS A 149 119.276 13.540 -8.571 1.00 0.00 H new ATOM 0 HD2 HIS A 149 123.311 13.053 -9.653 1.00 0.00 H new ATOM 0 HE1 HIS A 149 119.842 15.438 -10.310 1.00 0.00 H new ATOM 1874 N ALA A 150 119.645 9.498 -6.231 1.00 0.00 N ATOM 1875 CA ALA A 150 119.634 8.192 -5.500 1.00 0.00 C ATOM 1876 C ALA A 150 120.757 7.284 -6.008 1.00 0.00 C ATOM 1877 O ALA A 150 121.093 7.291 -7.177 1.00 0.00 O ATOM 1878 CB ALA A 150 118.268 7.573 -5.803 1.00 0.00 C ATOM 0 H ALA A 150 118.905 9.611 -6.924 1.00 0.00 H new ATOM 0 HA ALA A 150 119.794 8.323 -4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 150 118.185 6.610 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 150 117.481 8.237 -5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 150 118.164 7.430 -6.879 1.00 0.00 H new ATOM 1884 N VAL A 151 121.337 6.503 -5.132 1.00 0.00 N ATOM 1885 CA VAL A 151 122.440 5.585 -5.549 1.00 0.00 C ATOM 1886 C VAL A 151 121.986 4.127 -5.413 1.00 0.00 C ATOM 1887 O VAL A 151 122.106 3.344 -6.337 1.00 0.00 O ATOM 1888 CB VAL A 151 123.597 5.885 -4.588 1.00 0.00 C ATOM 1889 CG1 VAL A 151 124.792 4.986 -4.920 1.00 0.00 C ATOM 1890 CG2 VAL A 151 124.017 7.352 -4.730 1.00 0.00 C ATOM 0 H VAL A 151 121.093 6.462 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 151 122.733 5.733 -6.589 1.00 0.00 H new ATOM 0 HB VAL A 151 123.270 5.694 -3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 151 125.612 5.203 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 151 124.500 3.941 -4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 151 125.116 5.174 -5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 151 124.839 7.563 -4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 151 124.339 7.541 -5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 151 123.172 7.997 -4.491 1.00 0.00 H new ATOM 1900 N GLY A 152 121.470 3.759 -4.266 1.00 0.00 N ATOM 1901 CA GLY A 152 121.011 2.352 -4.065 1.00 0.00 C ATOM 1902 C GLY A 152 120.332 2.217 -2.699 1.00 0.00 C ATOM 1903 O GLY A 152 119.969 3.195 -2.078 1.00 0.00 O ATOM 0 H GLY A 152 121.347 4.373 -3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 152 120.316 2.070 -4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 152 121.859 1.671 -4.128 1.00 0.00 H new ATOM 1907 N ILE A 153 120.157 1.007 -2.233 1.00 0.00 N ATOM 1908 CA ILE A 153 119.501 0.790 -0.908 1.00 0.00 C ATOM 1909 C ILE A 153 120.331 -0.187 -0.066 1.00 0.00 C ATOM 1910 O ILE A 153 120.913 -1.122 -0.584 1.00 0.00 O ATOM 1911 CB ILE A 153 118.127 0.194 -1.239 1.00 0.00 C ATOM 1912 CG1 ILE A 153 117.318 1.205 -2.054 1.00 0.00 C ATOM 1913 CG2 ILE A 153 117.372 -0.122 0.054 1.00 0.00 C ATOM 1914 CD1 ILE A 153 116.072 0.523 -2.622 1.00 0.00 C ATOM 0 H ILE A 153 120.442 0.155 -2.716 1.00 0.00 H new ATOM 0 HA ILE A 153 119.413 1.710 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 153 118.264 -0.722 -1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 153 117.030 2.047 -1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 153 117.927 1.606 -2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 153 116.397 -0.545 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 153 117.943 -0.840 0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 153 117.237 0.794 0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 153 115.496 1.243 -3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 153 116.371 -0.305 -3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 153 115.460 0.144 -1.804 1.00 0.00 H new ATOM 1926 N PHE A 154 120.386 0.024 1.227 1.00 0.00 N ATOM 1927 CA PHE A 154 121.175 -0.896 2.107 1.00 0.00 C ATOM 1928 C PHE A 154 120.624 -2.322 1.995 1.00 0.00 C ATOM 1929 O PHE A 154 119.442 -2.554 2.170 1.00 0.00 O ATOM 1930 CB PHE A 154 120.986 -0.356 3.529 1.00 0.00 C ATOM 1931 CG PHE A 154 121.939 -1.055 4.473 1.00 0.00 C ATOM 1932 CD1 PHE A 154 123.310 -1.089 4.191 1.00 0.00 C ATOM 1933 CD2 PHE A 154 121.449 -1.665 5.635 1.00 0.00 C ATOM 1934 CE1 PHE A 154 124.190 -1.733 5.068 1.00 0.00 C ATOM 1935 CE2 PHE A 154 122.330 -2.309 6.512 1.00 0.00 C ATOM 1936 CZ PHE A 154 123.700 -2.344 6.228 1.00 0.00 C ATOM 0 H PHE A 154 119.920 0.792 1.711 1.00 0.00 H new ATOM 0 HA PHE A 154 122.228 -0.934 1.828 1.00 0.00 H new ATOM 0 HB2 PHE A 154 121.165 0.719 3.547 1.00 0.00 H new ATOM 0 HB3 PHE A 154 119.957 -0.513 3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 154 123.689 -0.618 3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 154 120.392 -1.638 5.854 1.00 0.00 H new ATOM 0 HE1 PHE A 154 125.247 -1.759 4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 154 121.952 -2.779 7.408 1.00 0.00 H new ATOM 0 HZ PHE A 154 124.379 -2.842 6.904 1.00 0.00 H new ATOM 1946 N ARG A 155 121.474 -3.272 1.696 1.00 0.00 N ATOM 1947 CA ARG A 155 121.010 -4.684 1.560 1.00 0.00 C ATOM 1948 C ARG A 155 121.446 -5.517 2.771 1.00 0.00 C ATOM 1949 O ARG A 155 120.629 -5.942 3.568 1.00 0.00 O ATOM 1950 CB ARG A 155 121.681 -5.195 0.279 1.00 0.00 C ATOM 1951 CG ARG A 155 121.291 -6.658 0.037 1.00 0.00 C ATOM 1952 CD ARG A 155 121.979 -7.169 -1.231 1.00 0.00 C ATOM 1953 NE ARG A 155 122.008 -8.658 -1.082 1.00 0.00 N ATOM 1954 CZ ARG A 155 122.196 -9.447 -2.119 1.00 0.00 C ATOM 1955 NH1 ARG A 155 122.560 -8.970 -3.287 1.00 0.00 N ATOM 1956 NH2 ARG A 155 122.020 -10.733 -1.982 1.00 0.00 N ATOM 0 H ARG A 155 122.472 -3.129 1.540 1.00 0.00 H new ATOM 0 HA ARG A 155 119.924 -4.757 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 155 121.378 -4.583 -0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 155 122.764 -5.107 0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 155 121.581 -7.269 0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 155 120.209 -6.745 -0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 155 121.430 -6.872 -2.125 1.00 0.00 H new ATOM 0 HD3 ARG A 155 122.986 -6.762 -1.325 1.00 0.00 H new ATOM 0 HE ARG A 155 121.879 -9.070 -0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 155 122.704 -7.967 -3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 155 122.699 -9.602 -4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 155 121.740 -11.116 -1.079 1.00 0.00 H new ATOM 0 HH22 ARG A 155 122.162 -11.355 -2.778 1.00 0.00 H new ATOM 1970 N ALA A 156 122.724 -5.767 2.902 1.00 0.00 N ATOM 1971 CA ALA A 156 123.216 -6.589 4.047 1.00 0.00 C ATOM 1972 C ALA A 156 124.412 -5.915 4.724 1.00 0.00 C ATOM 1973 O ALA A 156 125.170 -5.195 4.100 1.00 0.00 O ATOM 1974 CB ALA A 156 123.636 -7.918 3.418 1.00 0.00 C ATOM 0 H ALA A 156 123.448 -5.437 2.264 1.00 0.00 H new ATOM 0 HA ALA A 156 122.456 -6.717 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 156 124.012 -8.585 4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 156 122.776 -8.377 2.930 1.00 0.00 H new ATOM 0 HB3 ALA A 156 124.419 -7.740 2.681 1.00 0.00 H new ATOM 1980 N ALA A 157 124.582 -6.152 6.000 1.00 0.00 N ATOM 1981 CA ALA A 157 125.728 -5.537 6.738 1.00 0.00 C ATOM 1982 C ALA A 157 126.909 -6.513 6.788 1.00 0.00 C ATOM 1983 O ALA A 157 126.743 -7.678 7.073 1.00 0.00 O ATOM 1984 CB ALA A 157 125.196 -5.268 8.145 1.00 0.00 C ATOM 0 H ALA A 157 123.975 -6.747 6.564 1.00 0.00 H new ATOM 0 HA ALA A 157 126.087 -4.627 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 157 125.981 -4.815 8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 157 124.345 -4.590 8.089 1.00 0.00 H new ATOM 0 HB3 ALA A 157 124.882 -6.207 8.601 1.00 0.00 H new ATOM 1990 N VAL A 158 128.097 -6.038 6.504 1.00 0.00 N ATOM 1991 CA VAL A 158 129.298 -6.935 6.524 1.00 0.00 C ATOM 1992 C VAL A 158 130.084 -6.744 7.825 1.00 0.00 C ATOM 1993 O VAL A 158 130.632 -5.687 8.071 1.00 0.00 O ATOM 1994 CB VAL A 158 130.148 -6.486 5.329 1.00 0.00 C ATOM 1995 CG1 VAL A 158 131.388 -7.377 5.212 1.00 0.00 C ATOM 1996 CG2 VAL A 158 129.332 -6.589 4.036 1.00 0.00 C ATOM 0 H VAL A 158 128.289 -5.067 6.259 1.00 0.00 H new ATOM 0 HA VAL A 158 129.022 -7.988 6.465 1.00 0.00 H new ATOM 0 HB VAL A 158 130.452 -5.451 5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 158 131.989 -7.054 4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 158 131.979 -7.299 6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 158 131.080 -8.412 5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 158 129.944 -6.268 3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 158 129.019 -7.622 3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 158 128.452 -5.950 4.109 1.00 0.00 H new ATOM 2006 N CYS A 159 130.149 -7.759 8.654 1.00 0.00 N ATOM 2007 CA CYS A 159 130.909 -7.632 9.936 1.00 0.00 C ATOM 2008 C CYS A 159 131.683 -8.922 10.238 1.00 0.00 C ATOM 2009 O CYS A 159 131.191 -10.014 10.026 1.00 0.00 O ATOM 2010 CB CYS A 159 129.845 -7.370 11.012 1.00 0.00 C ATOM 2011 SG CYS A 159 128.666 -8.748 11.083 1.00 0.00 S ATOM 0 H CYS A 159 129.710 -8.666 8.498 1.00 0.00 H new ATOM 0 HA CYS A 159 131.647 -6.831 9.893 1.00 0.00 H new ATOM 0 HB2 CYS A 159 130.324 -7.242 11.983 1.00 0.00 H new ATOM 0 HB3 CYS A 159 129.317 -6.442 10.792 1.00 0.00 H new ATOM 0 HG CYS A 159 129.244 -9.836 10.667 1.00 0.00 H new ATOM 2017 N THR A 160 132.885 -8.797 10.741 1.00 0.00 N ATOM 2018 CA THR A 160 133.694 -10.009 11.071 1.00 0.00 C ATOM 2019 C THR A 160 133.266 -10.572 12.430 1.00 0.00 C ATOM 2020 O THR A 160 133.036 -11.758 12.577 1.00 0.00 O ATOM 2021 CB THR A 160 135.142 -9.519 11.125 1.00 0.00 C ATOM 2022 OG1 THR A 160 135.457 -8.847 9.913 1.00 0.00 O ATOM 2023 CG2 THR A 160 136.081 -10.712 11.308 1.00 0.00 C ATOM 0 H THR A 160 133.342 -7.906 10.938 1.00 0.00 H new ATOM 0 HA THR A 160 133.563 -10.806 10.339 1.00 0.00 H new ATOM 0 HB THR A 160 135.263 -8.834 11.964 1.00 0.00 H new ATOM 0 HG1 THR A 160 136.384 -8.530 9.946 1.00 0.00 H new ATOM 0 HG21 THR A 160 137.112 -10.361 11.346 1.00 0.00 H new ATOM 0 HG22 THR A 160 135.838 -11.227 12.238 1.00 0.00 H new ATOM 0 HG23 THR A 160 135.963 -11.400 10.471 1.00 0.00 H new ATOM 2031 N ARG A 161 133.157 -9.723 13.420 1.00 0.00 N ATOM 2032 CA ARG A 161 132.743 -10.190 14.778 1.00 0.00 C ATOM 2033 C ARG A 161 131.559 -9.359 15.280 1.00 0.00 C ATOM 2034 O ARG A 161 131.510 -8.962 16.429 1.00 0.00 O ATOM 2035 CB ARG A 161 133.969 -9.967 15.665 1.00 0.00 C ATOM 2036 CG ARG A 161 135.130 -10.824 15.158 1.00 0.00 C ATOM 2037 CD ARG A 161 134.875 -12.294 15.509 1.00 0.00 C ATOM 2038 NE ARG A 161 135.038 -12.379 16.995 1.00 0.00 N ATOM 2039 CZ ARG A 161 135.032 -13.541 17.620 1.00 0.00 C ATOM 2040 NH1 ARG A 161 134.996 -14.675 16.961 1.00 0.00 N ATOM 2041 NH2 ARG A 161 135.064 -13.562 18.925 1.00 0.00 N ATOM 0 H ARG A 161 133.338 -8.722 13.346 1.00 0.00 H new ATOM 0 HA ARG A 161 132.425 -11.233 14.779 1.00 0.00 H new ATOM 0 HB2 ARG A 161 134.250 -8.914 15.657 1.00 0.00 H new ATOM 0 HB3 ARG A 161 133.736 -10.226 16.698 1.00 0.00 H new ATOM 0 HG2 ARG A 161 135.235 -10.710 14.079 1.00 0.00 H new ATOM 0 HG3 ARG A 161 136.065 -10.489 15.607 1.00 0.00 H new ATOM 0 HD2 ARG A 161 133.875 -12.603 15.205 1.00 0.00 H new ATOM 0 HD3 ARG A 161 135.581 -12.949 14.998 1.00 0.00 H new ATOM 0 HE ARG A 161 135.156 -11.522 17.535 1.00 0.00 H new ATOM 0 HH11 ARG A 161 134.972 -14.672 15.941 1.00 0.00 H new ATOM 0 HH12 ARG A 161 134.992 -15.560 17.468 1.00 0.00 H new ATOM 0 HH21 ARG A 161 135.093 -12.687 19.449 1.00 0.00 H new ATOM 0 HH22 ARG A 161 135.060 -14.453 19.421 1.00 0.00 H new ATOM 2055 N GLY A 162 130.609 -9.093 14.421 1.00 0.00 N ATOM 2056 CA GLY A 162 129.423 -8.284 14.829 1.00 0.00 C ATOM 2057 C GLY A 162 129.674 -6.795 14.555 1.00 0.00 C ATOM 2058 O GLY A 162 128.761 -5.993 14.611 1.00 0.00 O ATOM 0 H GLY A 162 130.604 -9.403 13.449 1.00 0.00 H new ATOM 0 HA2 GLY A 162 128.541 -8.618 14.282 1.00 0.00 H new ATOM 0 HA3 GLY A 162 129.218 -8.436 15.889 1.00 0.00 H new ATOM 2062 N VAL A 163 130.896 -6.415 14.246 1.00 0.00 N ATOM 2063 CA VAL A 163 131.185 -4.979 13.959 1.00 0.00 C ATOM 2064 C VAL A 163 131.182 -4.758 12.445 1.00 0.00 C ATOM 2065 O VAL A 163 131.921 -5.395 11.717 1.00 0.00 O ATOM 2066 CB VAL A 163 132.577 -4.721 14.545 1.00 0.00 C ATOM 2067 CG1 VAL A 163 132.987 -3.269 14.288 1.00 0.00 C ATOM 2068 CG2 VAL A 163 132.552 -4.979 16.053 1.00 0.00 C ATOM 0 H VAL A 163 131.700 -7.040 14.182 1.00 0.00 H new ATOM 0 HA VAL A 163 130.445 -4.305 14.390 1.00 0.00 H new ATOM 0 HB VAL A 163 133.295 -5.389 14.070 1.00 0.00 H new ATOM 0 HG11 VAL A 163 133.977 -3.091 14.707 1.00 0.00 H new ATOM 0 HG12 VAL A 163 133.008 -3.081 13.214 1.00 0.00 H new ATOM 0 HG13 VAL A 163 132.268 -2.599 14.760 1.00 0.00 H new ATOM 0 HG21 VAL A 163 133.542 -4.796 16.470 1.00 0.00 H new ATOM 0 HG22 VAL A 163 131.830 -4.312 16.524 1.00 0.00 H new ATOM 0 HG23 VAL A 163 132.265 -6.014 16.240 1.00 0.00 H new ATOM 2078 N ALA A 164 130.350 -3.869 11.968 1.00 0.00 N ATOM 2079 CA ALA A 164 130.286 -3.614 10.500 1.00 0.00 C ATOM 2080 C ALA A 164 131.288 -2.531 10.098 1.00 0.00 C ATOM 2081 O ALA A 164 131.171 -1.386 10.493 1.00 0.00 O ATOM 2082 CB ALA A 164 128.855 -3.146 10.241 1.00 0.00 C ATOM 0 H ALA A 164 129.712 -3.309 12.533 1.00 0.00 H new ATOM 0 HA ALA A 164 130.537 -4.502 9.919 1.00 0.00 H new ATOM 0 HB1 ALA A 164 128.727 -2.937 9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 164 128.157 -3.926 10.544 1.00 0.00 H new ATOM 0 HB3 ALA A 164 128.659 -2.240 10.815 1.00 0.00 H new ATOM 2088 N LYS A 165 132.261 -2.886 9.299 1.00 0.00 N ATOM 2089 CA LYS A 165 133.269 -1.882 8.844 1.00 0.00 C ATOM 2090 C LYS A 165 132.972 -1.490 7.397 1.00 0.00 C ATOM 2091 O LYS A 165 133.230 -0.378 6.977 1.00 0.00 O ATOM 2092 CB LYS A 165 134.621 -2.590 8.949 1.00 0.00 C ATOM 2093 CG LYS A 165 134.973 -2.805 10.424 1.00 0.00 C ATOM 2094 CD LYS A 165 136.326 -3.513 10.527 1.00 0.00 C ATOM 2095 CE LYS A 165 136.679 -3.729 12.000 1.00 0.00 C ATOM 2096 NZ LYS A 165 138.137 -4.031 12.007 1.00 0.00 N ATOM 0 H LYS A 165 132.401 -3.831 8.941 1.00 0.00 H new ATOM 0 HA LYS A 165 133.254 -0.969 9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 165 134.583 -3.548 8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 165 135.394 -1.995 8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 165 135.011 -1.847 10.943 1.00 0.00 H new ATOM 0 HG3 LYS A 165 134.201 -3.401 10.910 1.00 0.00 H new ATOM 0 HD2 LYS A 165 136.288 -4.470 10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 165 137.098 -2.917 10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 165 136.457 -2.842 12.593 1.00 0.00 H new ATOM 0 HE3 LYS A 165 136.104 -4.550 12.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 138.454 -4.191 12.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 138.318 -4.884 11.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 138.660 -3.229 11.601 1.00 0.00 H new ATOM 2110 N ALA A 166 132.413 -2.399 6.640 1.00 0.00 N ATOM 2111 CA ALA A 166 132.070 -2.101 5.221 1.00 0.00 C ATOM 2112 C ALA A 166 130.581 -2.378 4.993 1.00 0.00 C ATOM 2113 O ALA A 166 129.974 -3.152 5.708 1.00 0.00 O ATOM 2114 CB ALA A 166 132.932 -3.054 4.392 1.00 0.00 C ATOM 0 H ALA A 166 132.178 -3.342 6.949 1.00 0.00 H new ATOM 0 HA ALA A 166 132.255 -1.061 4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 166 132.735 -2.894 3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 166 133.985 -2.864 4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 166 132.691 -4.084 4.654 1.00 0.00 H new ATOM 2120 N VAL A 167 129.991 -1.748 4.011 1.00 0.00 N ATOM 2121 CA VAL A 167 128.537 -1.967 3.743 1.00 0.00 C ATOM 2122 C VAL A 167 128.310 -2.290 2.263 1.00 0.00 C ATOM 2123 O VAL A 167 128.927 -1.708 1.391 1.00 0.00 O ATOM 2124 CB VAL A 167 127.855 -0.647 4.125 1.00 0.00 C ATOM 2125 CG1 VAL A 167 128.086 -0.360 5.614 1.00 0.00 C ATOM 2126 CG2 VAL A 167 128.433 0.503 3.289 1.00 0.00 C ATOM 0 H VAL A 167 130.453 -1.091 3.382 1.00 0.00 H new ATOM 0 HA VAL A 167 128.136 -2.807 4.310 1.00 0.00 H new ATOM 0 HB VAL A 167 126.786 -0.731 3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 167 127.601 0.578 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 167 127.666 -1.170 6.210 1.00 0.00 H new ATOM 0 HG13 VAL A 167 129.156 -0.284 5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 167 127.943 1.436 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 167 129.504 0.586 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 167 128.263 0.305 2.231 1.00 0.00 H new ATOM 2136 N ASP A 168 127.428 -3.215 1.980 1.00 0.00 N ATOM 2137 CA ASP A 168 127.153 -3.583 0.558 1.00 0.00 C ATOM 2138 C ASP A 168 125.713 -3.225 0.183 1.00 0.00 C ATOM 2139 O ASP A 168 124.777 -3.547 0.893 1.00 0.00 O ATOM 2140 CB ASP A 168 127.368 -5.095 0.492 1.00 0.00 C ATOM 2141 CG ASP A 168 128.868 -5.400 0.437 1.00 0.00 C ATOM 2142 OD1 ASP A 168 129.262 -6.424 0.969 1.00 0.00 O ATOM 2143 OD2 ASP A 168 129.594 -4.606 -0.139 1.00 0.00 O ATOM 0 H ASP A 168 126.886 -3.732 2.673 1.00 0.00 H new ATOM 0 HA ASP A 168 127.800 -3.049 -0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 168 126.921 -5.574 1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 168 126.871 -5.505 -0.387 1.00 0.00 H new ATOM 2148 N PHE A 169 125.534 -2.562 -0.929 1.00 0.00 N ATOM 2149 CA PHE A 169 124.159 -2.174 -1.371 1.00 0.00 C ATOM 2150 C PHE A 169 124.002 -2.422 -2.876 1.00 0.00 C ATOM 2151 O PHE A 169 124.976 -2.506 -3.602 1.00 0.00 O ATOM 2152 CB PHE A 169 124.035 -0.680 -1.041 1.00 0.00 C ATOM 2153 CG PHE A 169 125.114 0.106 -1.755 1.00 0.00 C ATOM 2154 CD1 PHE A 169 124.866 0.651 -3.020 1.00 0.00 C ATOM 2155 CD2 PHE A 169 126.363 0.285 -1.148 1.00 0.00 C ATOM 2156 CE1 PHE A 169 125.866 1.377 -3.678 1.00 0.00 C ATOM 2157 CE2 PHE A 169 127.364 1.011 -1.806 1.00 0.00 C ATOM 2158 CZ PHE A 169 127.115 1.557 -3.070 1.00 0.00 C ATOM 0 H PHE A 169 126.285 -2.270 -1.555 1.00 0.00 H new ATOM 0 HA PHE A 169 123.383 -2.756 -0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 169 123.052 -0.315 -1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 169 124.118 -0.530 0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 169 123.903 0.511 -3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 169 126.555 -0.137 -0.172 1.00 0.00 H new ATOM 0 HE1 PHE A 169 125.675 1.798 -4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 169 128.327 1.149 -1.338 1.00 0.00 H new ATOM 0 HZ PHE A 169 127.886 2.118 -3.577 1.00 0.00 H new ATOM 2168 N VAL A 170 122.786 -2.547 -3.344 1.00 0.00 N ATOM 2169 CA VAL A 170 122.561 -2.799 -4.801 1.00 0.00 C ATOM 2170 C VAL A 170 122.264 -1.477 -5.534 1.00 0.00 C ATOM 2171 O VAL A 170 121.420 -0.718 -5.097 1.00 0.00 O ATOM 2172 CB VAL A 170 121.345 -3.732 -4.863 1.00 0.00 C ATOM 2173 CG1 VAL A 170 121.040 -4.080 -6.322 1.00 0.00 C ATOM 2174 CG2 VAL A 170 121.641 -5.019 -4.089 1.00 0.00 C ATOM 0 H VAL A 170 121.938 -2.485 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 170 123.436 -3.237 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 170 120.486 -3.230 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 170 120.176 -4.743 -6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 170 120.825 -3.167 -6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 170 121.902 -4.579 -6.765 1.00 0.00 H new ATOM 0 HG21 VAL A 170 120.775 -5.679 -4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 170 122.503 -5.519 -4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 170 121.857 -4.776 -3.048 1.00 0.00 H new ATOM 2184 N PRO A 171 122.957 -1.232 -6.630 1.00 0.00 N ATOM 2185 CA PRO A 171 122.727 0.019 -7.396 1.00 0.00 C ATOM 2186 C PRO A 171 121.393 -0.055 -8.148 1.00 0.00 C ATOM 2187 O PRO A 171 120.794 -1.107 -8.265 1.00 0.00 O ATOM 2188 CB PRO A 171 123.898 0.070 -8.372 1.00 0.00 C ATOM 2189 CG PRO A 171 124.329 -1.351 -8.539 1.00 0.00 C ATOM 2190 CD PRO A 171 123.999 -2.067 -7.254 1.00 0.00 C ATOM 0 HA PRO A 171 122.673 0.904 -6.762 1.00 0.00 H new ATOM 0 HB2 PRO A 171 123.598 0.505 -9.325 1.00 0.00 H new ATOM 0 HB3 PRO A 171 124.709 0.685 -7.982 1.00 0.00 H new ATOM 0 HG2 PRO A 171 123.814 -1.813 -9.381 1.00 0.00 H new ATOM 0 HG3 PRO A 171 125.397 -1.408 -8.748 1.00 0.00 H new ATOM 0 HD2 PRO A 171 123.638 -3.078 -7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 171 124.875 -2.156 -6.612 1.00 0.00 H new ATOM 2198 N VAL A 172 120.929 1.057 -8.658 1.00 0.00 N ATOM 2199 CA VAL A 172 119.633 1.067 -9.405 1.00 0.00 C ATOM 2200 C VAL A 172 119.788 0.338 -10.747 1.00 0.00 C ATOM 2201 O VAL A 172 118.848 -0.242 -11.258 1.00 0.00 O ATOM 2202 CB VAL A 172 119.305 2.549 -9.628 1.00 0.00 C ATOM 2203 CG1 VAL A 172 117.991 2.681 -10.402 1.00 0.00 C ATOM 2204 CG2 VAL A 172 119.162 3.253 -8.275 1.00 0.00 C ATOM 0 H VAL A 172 121.393 1.963 -8.589 1.00 0.00 H new ATOM 0 HA VAL A 172 118.840 0.557 -8.858 1.00 0.00 H new ATOM 0 HB VAL A 172 120.112 3.008 -10.200 1.00 0.00 H new ATOM 0 HG11 VAL A 172 117.764 3.736 -10.557 1.00 0.00 H new ATOM 0 HG12 VAL A 172 118.086 2.185 -11.368 1.00 0.00 H new ATOM 0 HG13 VAL A 172 117.185 2.216 -9.833 1.00 0.00 H new ATOM 0 HG21 VAL A 172 118.929 4.306 -8.435 1.00 0.00 H new ATOM 0 HG22 VAL A 172 118.359 2.786 -7.705 1.00 0.00 H new ATOM 0 HG23 VAL A 172 120.097 3.169 -7.720 1.00 0.00 H new ATOM 2214 N GLU A 173 120.963 0.377 -11.322 1.00 0.00 N ATOM 2215 CA GLU A 173 121.184 -0.300 -12.639 1.00 0.00 C ATOM 2216 C GLU A 173 120.902 -1.800 -12.527 1.00 0.00 C ATOM 2217 O GLU A 173 120.332 -2.400 -13.418 1.00 0.00 O ATOM 2218 CB GLU A 173 122.657 -0.063 -12.970 1.00 0.00 C ATOM 2219 CG GLU A 173 122.944 -0.525 -14.402 1.00 0.00 C ATOM 2220 CD GLU A 173 124.423 -0.293 -14.752 1.00 0.00 C ATOM 2221 OE1 GLU A 173 124.844 -0.780 -15.789 1.00 0.00 O ATOM 2222 OE2 GLU A 173 125.109 0.369 -13.986 1.00 0.00 O ATOM 0 H GLU A 173 121.781 0.849 -10.937 1.00 0.00 H new ATOM 0 HA GLU A 173 120.521 0.091 -13.411 1.00 0.00 H new ATOM 0 HB2 GLU A 173 122.898 0.995 -12.863 1.00 0.00 H new ATOM 0 HB3 GLU A 173 123.290 -0.607 -12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 173 122.700 -1.582 -14.506 1.00 0.00 H new ATOM 0 HG3 GLU A 173 122.308 0.019 -15.101 1.00 0.00 H new ATOM 2229 N SER A 174 121.305 -2.408 -11.440 1.00 0.00 N ATOM 2230 CA SER A 174 121.069 -3.876 -11.269 1.00 0.00 C ATOM 2231 C SER A 174 119.567 -4.178 -11.267 1.00 0.00 C ATOM 2232 O SER A 174 119.125 -5.173 -11.810 1.00 0.00 O ATOM 2233 CB SER A 174 121.687 -4.230 -9.916 1.00 0.00 C ATOM 2234 OG SER A 174 121.690 -5.643 -9.757 1.00 0.00 O ATOM 0 H SER A 174 121.786 -1.953 -10.664 1.00 0.00 H new ATOM 0 HA SER A 174 121.509 -4.456 -12.080 1.00 0.00 H new ATOM 0 HB2 SER A 174 122.704 -3.843 -9.855 1.00 0.00 H new ATOM 0 HB3 SER A 174 121.120 -3.763 -9.111 1.00 0.00 H new ATOM 0 HG SER A 174 122.087 -5.874 -8.891 1.00 0.00 H new ATOM 2240 N MET A 175 118.785 -3.328 -10.654 1.00 0.00 N ATOM 2241 CA MET A 175 117.305 -3.556 -10.602 1.00 0.00 C ATOM 2242 C MET A 175 116.720 -3.607 -12.017 1.00 0.00 C ATOM 2243 O MET A 175 115.721 -4.257 -12.262 1.00 0.00 O ATOM 2244 CB MET A 175 116.743 -2.358 -9.835 1.00 0.00 C ATOM 2245 CG MET A 175 117.226 -2.410 -8.384 1.00 0.00 C ATOM 2246 SD MET A 175 116.563 -0.992 -7.475 1.00 0.00 S ATOM 2247 CE MET A 175 117.354 -1.355 -5.888 1.00 0.00 C ATOM 0 H MET A 175 119.107 -2.482 -10.184 1.00 0.00 H new ATOM 0 HA MET A 175 117.055 -4.502 -10.123 1.00 0.00 H new ATOM 0 HB2 MET A 175 117.066 -1.428 -10.304 1.00 0.00 H new ATOM 0 HB3 MET A 175 115.654 -2.370 -9.868 1.00 0.00 H new ATOM 0 HG2 MET A 175 116.903 -3.339 -7.915 1.00 0.00 H new ATOM 0 HG3 MET A 175 118.315 -2.399 -8.352 1.00 0.00 H new ATOM 0 HE1 MET A 175 117.463 -0.433 -5.317 1.00 0.00 H new ATOM 0 HE2 MET A 175 116.739 -2.059 -5.327 1.00 0.00 H new ATOM 0 HE3 MET A 175 118.337 -1.792 -6.063 1.00 0.00 H new ATOM 2257 N GLU A 176 117.332 -2.916 -12.943 1.00 0.00 N ATOM 2258 CA GLU A 176 116.814 -2.907 -14.349 1.00 0.00 C ATOM 2259 C GLU A 176 116.800 -4.327 -14.930 1.00 0.00 C ATOM 2260 O GLU A 176 115.899 -4.696 -15.660 1.00 0.00 O ATOM 2261 CB GLU A 176 117.788 -2.015 -15.126 1.00 0.00 C ATOM 2262 CG GLU A 176 117.327 -1.892 -16.583 1.00 0.00 C ATOM 2263 CD GLU A 176 118.296 -1.001 -17.373 1.00 0.00 C ATOM 2264 OE1 GLU A 176 119.077 -0.295 -16.751 1.00 0.00 O ATOM 2265 OE2 GLU A 176 118.240 -1.039 -18.591 1.00 0.00 O ATOM 0 H GLU A 176 118.170 -2.355 -12.789 1.00 0.00 H new ATOM 0 HA GLU A 176 115.790 -2.539 -14.404 1.00 0.00 H new ATOM 0 HB2 GLU A 176 117.838 -1.028 -14.666 1.00 0.00 H new ATOM 0 HB3 GLU A 176 118.792 -2.437 -15.087 1.00 0.00 H new ATOM 0 HG2 GLU A 176 117.275 -2.880 -17.040 1.00 0.00 H new ATOM 0 HG3 GLU A 176 116.322 -1.471 -16.620 1.00 0.00 H new ATOM 2272 N THR A 177 117.794 -5.119 -14.620 1.00 0.00 N ATOM 2273 CA THR A 177 117.847 -6.515 -15.164 1.00 0.00 C ATOM 2274 C THR A 177 116.616 -7.314 -14.721 1.00 0.00 C ATOM 2275 O THR A 177 116.061 -8.084 -15.483 1.00 0.00 O ATOM 2276 CB THR A 177 119.123 -7.128 -14.575 1.00 0.00 C ATOM 2277 OG1 THR A 177 120.240 -6.329 -14.942 1.00 0.00 O ATOM 2278 CG2 THR A 177 119.314 -8.546 -15.119 1.00 0.00 C ATOM 0 H THR A 177 118.573 -4.862 -14.014 1.00 0.00 H new ATOM 0 HA THR A 177 117.853 -6.526 -16.254 1.00 0.00 H new ATOM 0 HB THR A 177 119.038 -7.167 -13.489 1.00 0.00 H new ATOM 0 HG1 THR A 177 121.057 -6.717 -14.566 1.00 0.00 H new ATOM 0 HG21 THR A 177 120.222 -8.978 -14.698 1.00 0.00 H new ATOM 0 HG22 THR A 177 118.457 -9.160 -14.842 1.00 0.00 H new ATOM 0 HG23 THR A 177 119.399 -8.511 -16.205 1.00 0.00 H new ATOM 2286 N THR A 178 116.193 -7.144 -13.494 1.00 0.00 N ATOM 2287 CA THR A 178 115.000 -7.900 -12.992 1.00 0.00 C ATOM 2288 C THR A 178 113.762 -7.571 -13.836 1.00 0.00 C ATOM 2289 O THR A 178 112.928 -8.423 -14.084 1.00 0.00 O ATOM 2290 CB THR A 178 114.806 -7.433 -11.545 1.00 0.00 C ATOM 2291 OG1 THR A 178 115.981 -7.715 -10.799 1.00 0.00 O ATOM 2292 CG2 THR A 178 113.619 -8.169 -10.919 1.00 0.00 C ATOM 0 H THR A 178 116.621 -6.514 -12.816 1.00 0.00 H new ATOM 0 HA THR A 178 115.145 -8.979 -13.054 1.00 0.00 H new ATOM 0 HB THR A 178 114.612 -6.361 -11.534 1.00 0.00 H new ATOM 0 HG1 THR A 178 115.861 -7.416 -9.874 1.00 0.00 H new ATOM 0 HG21 THR A 178 113.485 -7.834 -9.890 1.00 0.00 H new ATOM 0 HG22 THR A 178 112.716 -7.956 -11.491 1.00 0.00 H new ATOM 0 HG23 THR A 178 113.810 -9.242 -10.929 1.00 0.00 H new ATOM 2300 N MET A 179 113.634 -6.344 -14.270 1.00 0.00 N ATOM 2301 CA MET A 179 112.444 -5.952 -15.091 1.00 0.00 C ATOM 2302 C MET A 179 112.376 -6.781 -16.377 1.00 0.00 C ATOM 2303 O MET A 179 111.310 -7.175 -16.812 1.00 0.00 O ATOM 2304 CB MET A 179 112.648 -4.472 -15.421 1.00 0.00 C ATOM 2305 CG MET A 179 112.477 -3.637 -14.151 1.00 0.00 C ATOM 2306 SD MET A 179 112.719 -1.886 -14.542 1.00 0.00 S ATOM 2307 CE MET A 179 112.419 -1.238 -12.880 1.00 0.00 C ATOM 0 H MET A 179 114.302 -5.594 -14.092 1.00 0.00 H new ATOM 0 HA MET A 179 111.511 -6.126 -14.555 1.00 0.00 H new ATOM 0 HB2 MET A 179 113.642 -4.316 -15.840 1.00 0.00 H new ATOM 0 HB3 MET A 179 111.930 -4.155 -16.177 1.00 0.00 H new ATOM 0 HG2 MET A 179 111.483 -3.793 -13.732 1.00 0.00 H new ATOM 0 HG3 MET A 179 113.195 -3.954 -13.395 1.00 0.00 H new ATOM 0 HE1 MET A 179 112.519 -0.153 -12.889 1.00 0.00 H new ATOM 0 HE2 MET A 179 111.412 -1.507 -12.561 1.00 0.00 H new ATOM 0 HE3 MET A 179 113.145 -1.663 -12.187 1.00 0.00 H new ATOM 2317 N ARG A 180 113.503 -7.046 -16.990 1.00 0.00 N ATOM 2318 CA ARG A 180 113.503 -7.847 -18.255 1.00 0.00 C ATOM 2319 C ARG A 180 112.903 -9.236 -18.007 1.00 0.00 C ATOM 2320 O ARG A 180 112.164 -9.754 -18.823 1.00 0.00 O ATOM 2321 CB ARG A 180 114.975 -7.968 -18.656 1.00 0.00 C ATOM 2322 CG ARG A 180 115.492 -6.604 -19.118 1.00 0.00 C ATOM 2323 CD ARG A 180 116.964 -6.726 -19.519 1.00 0.00 C ATOM 2324 NE ARG A 180 117.394 -5.336 -19.830 1.00 0.00 N ATOM 2325 CZ ARG A 180 117.905 -5.057 -20.998 1.00 0.00 C ATOM 2326 NH1 ARG A 180 119.164 -4.724 -21.096 1.00 0.00 N ATOM 2327 NH2 ARG A 180 117.159 -5.112 -22.067 1.00 0.00 N ATOM 0 H ARG A 180 114.423 -6.743 -16.670 1.00 0.00 H new ATOM 0 HA ARG A 180 112.905 -7.376 -19.035 1.00 0.00 H new ATOM 0 HB2 ARG A 180 115.565 -8.325 -17.812 1.00 0.00 H new ATOM 0 HB3 ARG A 180 115.086 -8.701 -19.455 1.00 0.00 H new ATOM 0 HG2 ARG A 180 114.902 -6.246 -19.962 1.00 0.00 H new ATOM 0 HG3 ARG A 180 115.381 -5.871 -18.319 1.00 0.00 H new ATOM 0 HD2 ARG A 180 117.559 -7.152 -18.711 1.00 0.00 H new ATOM 0 HD3 ARG A 180 117.085 -7.379 -20.383 1.00 0.00 H new ATOM 0 HE ARG A 180 117.289 -4.601 -19.130 1.00 0.00 H new ATOM 0 HH11 ARG A 180 119.747 -4.682 -20.260 1.00 0.00 H new ATOM 0 HH12 ARG A 180 119.564 -4.506 -22.008 1.00 0.00 H new ATOM 0 HH21 ARG A 180 116.176 -5.373 -21.990 1.00 0.00 H new ATOM 0 HH22 ARG A 180 117.559 -4.894 -22.980 1.00 0.00 H new ATOM 2341 N ALA A 181 113.216 -9.836 -16.887 1.00 0.00 N ATOM 2342 CA ALA A 181 112.665 -11.191 -16.579 1.00 0.00 C ATOM 2343 C ALA A 181 111.244 -11.070 -16.023 1.00 0.00 C ATOM 2344 O ALA A 181 110.914 -11.642 -15.003 1.00 0.00 O ATOM 2345 CB ALA A 181 113.606 -11.774 -15.524 1.00 0.00 C ATOM 0 H ALA A 181 113.830 -9.446 -16.172 1.00 0.00 H new ATOM 0 HA ALA A 181 112.607 -11.823 -17.465 1.00 0.00 H new ATOM 0 HB1 ALA A 181 113.267 -12.772 -15.245 1.00 0.00 H new ATOM 0 HB2 ALA A 181 114.616 -11.834 -15.931 1.00 0.00 H new ATOM 0 HB3 ALA A 181 113.607 -11.132 -14.643 1.00 0.00 H new