USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 648 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 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0983 USER MOD Single : A 20 GLN : amide:sc= -0.0541 K(o=-0.054,f=-1.2) USER MOD Single : A 26 ASN : amide:sc= -0.683 X(o=-0.68,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= -0.011 (180deg=-0.731) USER MOD Single : A 31 GLN : amide:sc= -0.592 K(o=-0.59,f=-1.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 126:sc= 0.403 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.08) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -136:sc= 0.555 USER MOD Single : A 56 MET CE :methyl 168:sc= -0.0421 (180deg=-0.307) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 177:sc= 0 (180deg=-0.0107) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.6!) USER MOD Single : A 68 GLN : amide:sc= -3.94! K(o=-3.9!,f=-0.97) USER MOD Single : A 70 GLN : amide:sc= 0.604 K(o=0.6,f=-1.3!) USER MOD Single : A 74 HIS : no HD1:sc= -0.135 X(o=-0.13,f=0.0056) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0385 USER MOD Single : A 79 ASN : amide:sc= -0.145 K(o=-0.15,f=-2.1!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -66:sc= -7.16! USER MOD Single : A 95 SER OG : rot 51:sc= 1.1 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N PRO A 15 -2.671 16.483 -7.578 1.00 0.00 N ATOM 191 CA PRO A 15 -3.754 15.573 -7.243 1.00 0.00 C ATOM 192 C PRO A 15 -3.778 14.376 -8.196 1.00 0.00 C ATOM 193 O PRO A 15 -3.366 14.487 -9.349 1.00 0.00 O ATOM 194 CB PRO A 15 -5.015 16.417 -7.319 1.00 0.00 C ATOM 195 CG PRO A 15 -4.648 17.643 -8.140 1.00 0.00 C ATOM 196 CD PRO A 15 -3.133 17.697 -8.244 1.00 0.00 C ATOM 0 HA PRO A 15 -3.643 15.135 -6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.828 15.863 -7.787 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.355 16.701 -6.323 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.097 17.587 -9.132 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.031 18.548 -7.667 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.809 17.726 -9.284 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.735 18.589 -7.761 1.00 0.00 H new ATOM 204 N VAL A 16 -4.265 13.258 -7.677 1.00 0.00 N ATOM 205 CA VAL A 16 -4.349 12.041 -8.467 1.00 0.00 C ATOM 206 C VAL A 16 -5.156 12.317 -9.737 1.00 0.00 C ATOM 207 O VAL A 16 -5.813 13.351 -9.847 1.00 0.00 O ATOM 208 CB VAL A 16 -4.933 10.907 -7.622 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.872 10.311 -6.695 1.00 0.00 C ATOM 210 CG2 VAL A 16 -6.149 11.388 -6.826 1.00 0.00 C ATOM 0 H VAL A 16 -4.605 13.169 -6.720 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.355 11.718 -8.777 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.265 10.120 -8.300 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.314 9.507 -6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.050 9.915 -7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.496 11.086 -6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.546 10.563 -6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.852 12.201 -6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.917 11.743 -7.514 1.00 0.00 H new ATOM 220 N THR A 17 -5.080 11.374 -10.665 1.00 0.00 N ATOM 221 CA THR A 17 -5.795 11.503 -11.923 1.00 0.00 C ATOM 222 C THR A 17 -6.554 10.212 -12.240 1.00 0.00 C ATOM 223 O THR A 17 -6.237 9.154 -11.700 1.00 0.00 O ATOM 224 CB THR A 17 -4.785 11.894 -13.003 1.00 0.00 C ATOM 225 OG1 THR A 17 -5.578 12.065 -14.175 1.00 0.00 O ATOM 226 CG2 THR A 17 -3.835 10.749 -13.360 1.00 0.00 C ATOM 0 H THR A 17 -4.534 10.518 -10.571 1.00 0.00 H new ATOM 0 HA THR A 17 -6.553 12.284 -11.868 1.00 0.00 H new ATOM 0 HB THR A 17 -4.206 12.753 -12.663 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.002 12.322 -14.925 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.139 11.080 -14.131 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.277 10.449 -12.473 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.411 9.901 -13.731 1.00 0.00 H new ATOM 234 N GLY A 18 -7.540 10.343 -13.114 1.00 0.00 N ATOM 235 CA GLY A 18 -8.347 9.201 -13.509 1.00 0.00 C ATOM 236 C GLY A 18 -7.473 7.965 -13.735 1.00 0.00 C ATOM 237 O GLY A 18 -7.870 6.850 -13.401 1.00 0.00 O ATOM 0 H GLY A 18 -7.799 11.223 -13.560 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.088 8.991 -12.738 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.894 9.436 -14.422 1.00 0.00 H new ATOM 241 N GLU A 19 -6.299 8.205 -14.301 1.00 0.00 N ATOM 242 CA GLU A 19 -5.366 7.125 -14.576 1.00 0.00 C ATOM 243 C GLU A 19 -4.987 6.409 -13.278 1.00 0.00 C ATOM 244 O GLU A 19 -4.973 5.180 -13.225 1.00 0.00 O ATOM 245 CB GLU A 19 -4.122 7.646 -15.298 1.00 0.00 C ATOM 246 CG GLU A 19 -3.503 6.559 -16.177 1.00 0.00 C ATOM 247 CD GLU A 19 -3.080 7.125 -17.534 1.00 0.00 C ATOM 248 OE1 GLU A 19 -2.158 7.969 -17.535 1.00 0.00 O ATOM 249 OE2 GLU A 19 -3.689 6.701 -18.541 1.00 0.00 O ATOM 0 H GLU A 19 -5.973 9.131 -14.577 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.854 6.407 -15.235 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.387 8.507 -15.911 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.390 7.988 -14.567 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.638 6.128 -15.673 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.221 5.752 -16.323 1.00 0.00 H new ATOM 256 N GLN A 20 -4.689 7.207 -12.264 1.00 0.00 N ATOM 257 CA GLN A 20 -4.311 6.665 -10.970 1.00 0.00 C ATOM 258 C GLN A 20 -5.546 6.149 -10.229 1.00 0.00 C ATOM 259 O GLN A 20 -5.561 5.014 -9.756 1.00 0.00 O ATOM 260 CB GLN A 20 -3.566 7.707 -10.134 1.00 0.00 C ATOM 261 CG GLN A 20 -2.192 8.011 -10.735 1.00 0.00 C ATOM 262 CD GLN A 20 -1.277 8.673 -9.702 1.00 0.00 C ATOM 263 OE1 GLN A 20 -1.321 8.382 -8.518 1.00 0.00 O ATOM 264 NE2 GLN A 20 -0.447 9.577 -10.215 1.00 0.00 N ATOM 0 H GLN A 20 -4.702 8.226 -12.312 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.633 5.827 -11.134 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.154 8.623 -10.080 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.448 7.343 -9.113 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.735 7.088 -11.093 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.306 8.666 -11.599 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.462 9.773 -11.216 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.204 10.074 -9.608 1.00 0.00 H new ATOM 273 N ILE A 21 -6.552 7.007 -10.152 1.00 0.00 N ATOM 274 CA ILE A 21 -7.789 6.653 -9.477 1.00 0.00 C ATOM 275 C ILE A 21 -8.143 5.200 -9.800 1.00 0.00 C ATOM 276 O ILE A 21 -8.053 4.328 -8.937 1.00 0.00 O ATOM 277 CB ILE A 21 -8.896 7.648 -9.829 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.679 8.985 -9.117 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.277 7.059 -9.534 1.00 0.00 C ATOM 280 CD1 ILE A 21 -9.981 9.783 -9.039 1.00 0.00 C ATOM 0 H ILE A 21 -6.536 7.948 -10.546 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.665 6.719 -8.396 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.851 7.843 -10.900 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.296 8.808 -8.112 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.924 9.565 -9.648 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.046 7.787 -9.793 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.420 6.154 -10.124 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.350 6.816 -8.474 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.798 10.728 -8.528 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.348 9.980 -10.046 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.726 9.210 -8.487 1.00 0.00 H new ATOM 292 N GLU A 22 -8.537 4.984 -11.047 1.00 0.00 N ATOM 293 CA GLU A 22 -8.905 3.651 -11.495 1.00 0.00 C ATOM 294 C GLU A 22 -7.970 2.608 -10.880 1.00 0.00 C ATOM 295 O GLU A 22 -8.428 1.621 -10.306 1.00 0.00 O ATOM 296 CB GLU A 22 -8.895 3.564 -13.022 1.00 0.00 C ATOM 297 CG GLU A 22 -7.604 4.149 -13.596 1.00 0.00 C ATOM 298 CD GLU A 22 -6.629 3.039 -13.997 1.00 0.00 C ATOM 299 OE1 GLU A 22 -6.740 1.946 -13.402 1.00 0.00 O ATOM 300 OE2 GLU A 22 -5.796 3.310 -14.888 1.00 0.00 O ATOM 0 H GLU A 22 -8.609 5.709 -11.761 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.921 3.443 -11.159 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.996 2.524 -13.331 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.753 4.101 -13.426 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.835 4.766 -14.464 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.136 4.800 -12.858 1.00 0.00 H new ATOM 307 N VAL A 23 -6.678 2.861 -11.021 1.00 0.00 N ATOM 308 CA VAL A 23 -5.674 1.956 -10.487 1.00 0.00 C ATOM 309 C VAL A 23 -5.902 1.779 -8.984 1.00 0.00 C ATOM 310 O VAL A 23 -6.120 0.663 -8.513 1.00 0.00 O ATOM 311 CB VAL A 23 -4.273 2.471 -10.822 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.262 2.041 -9.758 1.00 0.00 C ATOM 313 CG2 VAL A 23 -3.837 2.007 -12.213 1.00 0.00 C ATOM 0 H VAL A 23 -6.302 3.681 -11.498 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.763 0.972 -10.948 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.309 3.560 -10.828 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.274 2.420 -10.020 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.560 2.443 -8.790 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.231 0.953 -9.705 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.838 2.387 -12.427 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.826 0.918 -12.246 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.536 2.386 -12.959 1.00 0.00 H new ATOM 323 N PHE A 24 -5.845 2.895 -8.273 1.00 0.00 N ATOM 324 CA PHE A 24 -6.042 2.877 -6.834 1.00 0.00 C ATOM 325 C PHE A 24 -7.230 1.991 -6.455 1.00 0.00 C ATOM 326 O PHE A 24 -7.103 1.102 -5.614 1.00 0.00 O ATOM 327 CB PHE A 24 -6.336 4.316 -6.405 1.00 0.00 C ATOM 328 CG PHE A 24 -5.496 4.795 -5.219 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.780 4.357 -3.963 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.466 5.660 -5.421 1.00 0.00 C ATOM 331 CE1 PHE A 24 -5.001 4.802 -2.863 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.687 6.105 -4.320 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.971 5.667 -3.065 1.00 0.00 C ATOM 0 H PHE A 24 -5.665 3.818 -8.667 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.155 2.479 -6.341 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.162 4.980 -7.252 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.392 4.399 -6.147 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.598 3.671 -3.803 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.241 6.008 -6.418 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.226 4.454 -1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.869 6.792 -4.480 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.379 6.006 -2.228 1.00 0.00 H new ATOM 343 N ALA A 25 -8.359 2.265 -7.093 1.00 0.00 N ATOM 344 CA ALA A 25 -9.569 1.504 -6.833 1.00 0.00 C ATOM 345 C ALA A 25 -9.208 0.028 -6.648 1.00 0.00 C ATOM 346 O ALA A 25 -9.409 -0.534 -5.572 1.00 0.00 O ATOM 347 CB ALA A 25 -10.565 1.722 -7.974 1.00 0.00 C ATOM 0 H ALA A 25 -8.461 3.003 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.047 1.845 -5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.473 1.151 -7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.811 2.782 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.122 1.389 -8.912 1.00 0.00 H new ATOM 353 N ASN A 26 -8.683 -0.558 -7.714 1.00 0.00 N ATOM 354 CA ASN A 26 -8.293 -1.957 -7.683 1.00 0.00 C ATOM 355 C ASN A 26 -7.504 -2.234 -6.402 1.00 0.00 C ATOM 356 O ASN A 26 -7.717 -3.252 -5.746 1.00 0.00 O ATOM 357 CB ASN A 26 -7.397 -2.306 -8.874 1.00 0.00 C ATOM 358 CG ASN A 26 -8.165 -2.181 -10.192 1.00 0.00 C ATOM 359 OD1 ASN A 26 -8.908 -3.062 -10.593 1.00 0.00 O ATOM 360 ND2 ASN A 26 -7.944 -1.042 -10.841 1.00 0.00 N ATOM 0 H ASN A 26 -8.519 -0.089 -8.605 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.200 -2.560 -7.724 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.531 -1.644 -8.889 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.019 -3.322 -8.764 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.409 -0.864 -11.731 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.309 -0.346 -10.449 1.00 0.00 H new ATOM 367 N LYS A 27 -6.611 -1.309 -6.083 1.00 0.00 N ATOM 368 CA LYS A 27 -5.789 -1.441 -4.892 1.00 0.00 C ATOM 369 C LYS A 27 -6.679 -1.338 -3.651 1.00 0.00 C ATOM 370 O LYS A 27 -6.807 -2.300 -2.894 1.00 0.00 O ATOM 371 CB LYS A 27 -4.646 -0.424 -4.914 1.00 0.00 C ATOM 372 CG LYS A 27 -3.639 -0.756 -6.018 1.00 0.00 C ATOM 373 CD LYS A 27 -3.012 0.518 -6.589 1.00 0.00 C ATOM 374 CE LYS A 27 -1.489 0.394 -6.662 1.00 0.00 C ATOM 375 NZ LYS A 27 -1.034 0.435 -8.070 1.00 0.00 N ATOM 0 H LYS A 27 -6.439 -0.465 -6.629 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.312 -2.421 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.048 0.577 -5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.142 -0.416 -3.947 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.858 -1.403 -5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.136 -1.309 -6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.413 0.710 -7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.282 1.371 -5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.025 1.204 -6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.171 -0.540 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.075 0.037 -8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.683 -0.124 -8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.024 1.420 -8.403 1.00 0.00 H new ATOM 389 N LEU A 28 -7.270 -0.165 -3.481 1.00 0.00 N ATOM 390 CA LEU A 28 -8.143 0.075 -2.345 1.00 0.00 C ATOM 391 C LEU A 28 -8.994 -1.171 -2.089 1.00 0.00 C ATOM 392 O LEU A 28 -8.820 -1.849 -1.078 1.00 0.00 O ATOM 393 CB LEU A 28 -8.965 1.348 -2.560 1.00 0.00 C ATOM 394 CG LEU A 28 -9.594 1.960 -1.307 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.662 1.822 -0.102 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.003 3.413 -1.552 1.00 0.00 C ATOM 0 H LEU A 28 -7.161 0.630 -4.111 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.556 0.251 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.323 2.097 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.761 1.127 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.503 1.405 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.133 2.265 0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.465 0.767 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.723 2.336 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.447 3.824 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.124 3.998 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.730 3.455 -2.363 1.00 0.00 H new ATOM 408 N GLY A 29 -9.897 -1.433 -3.023 1.00 0.00 N ATOM 409 CA GLY A 29 -10.776 -2.585 -2.911 1.00 0.00 C ATOM 410 C GLY A 29 -11.885 -2.331 -1.889 1.00 0.00 C ATOM 411 O GLY A 29 -12.647 -1.374 -2.019 1.00 0.00 O ATOM 0 H GLY A 29 -10.039 -0.868 -3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.216 -2.807 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.198 -3.461 -2.616 1.00 0.00 H new ATOM 415 N GLU A 30 -11.942 -3.206 -0.895 1.00 0.00 N ATOM 416 CA GLU A 30 -12.946 -3.088 0.149 1.00 0.00 C ATOM 417 C GLU A 30 -12.451 -2.158 1.258 1.00 0.00 C ATOM 418 O GLU A 30 -13.181 -1.876 2.208 1.00 0.00 O ATOM 419 CB GLU A 30 -13.316 -4.463 0.710 1.00 0.00 C ATOM 420 CG GLU A 30 -12.159 -5.055 1.518 1.00 0.00 C ATOM 421 CD GLU A 30 -12.431 -6.519 1.871 1.00 0.00 C ATOM 422 OE1 GLU A 30 -13.102 -7.185 1.053 1.00 0.00 O ATOM 423 OE2 GLU A 30 -11.960 -6.939 2.950 1.00 0.00 O ATOM 0 H GLU A 30 -11.309 -3.999 -0.791 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.847 -2.655 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.199 -4.376 1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.575 -5.136 -0.108 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.235 -4.981 0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.015 -4.477 2.431 1.00 0.00 H new ATOM 430 N GLN A 31 -11.215 -1.707 1.102 1.00 0.00 N ATOM 431 CA GLN A 31 -10.615 -0.815 2.079 1.00 0.00 C ATOM 432 C GLN A 31 -11.152 0.607 1.899 1.00 0.00 C ATOM 433 O GLN A 31 -10.768 1.516 2.633 1.00 0.00 O ATOM 434 CB GLN A 31 -9.088 -0.841 1.980 1.00 0.00 C ATOM 435 CG GLN A 31 -8.495 -1.879 2.935 1.00 0.00 C ATOM 436 CD GLN A 31 -8.002 -3.109 2.170 1.00 0.00 C ATOM 437 OE1 GLN A 31 -8.319 -3.319 1.011 1.00 0.00 O ATOM 438 NE2 GLN A 31 -7.210 -3.907 2.881 1.00 0.00 N ATOM 0 H GLN A 31 -10.613 -1.943 0.313 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.888 -1.162 3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.790 -1.071 0.957 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.688 0.145 2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.668 -1.437 3.491 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.247 -2.178 3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.984 -3.672 3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.828 -4.754 2.460 1.00 0.00 H new ATOM 447 N TRP A 32 -12.031 0.754 0.919 1.00 0.00 N ATOM 448 CA TRP A 32 -12.625 2.049 0.634 1.00 0.00 C ATOM 449 C TRP A 32 -13.436 2.477 1.859 1.00 0.00 C ATOM 450 O TRP A 32 -13.602 3.669 2.112 1.00 0.00 O ATOM 451 CB TRP A 32 -13.458 2.000 -0.648 1.00 0.00 C ATOM 452 CG TRP A 32 -14.832 1.350 -0.473 1.00 0.00 C ATOM 453 CD1 TRP A 32 -15.179 0.078 -0.711 1.00 0.00 C ATOM 454 CD2 TRP A 32 -16.036 1.996 -0.009 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.513 -0.143 -0.436 1.00 0.00 N ATOM 456 CE2 TRP A 32 -17.051 1.061 0.004 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.260 3.326 0.386 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.360 1.356 0.405 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.573 3.605 0.783 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.606 2.675 0.803 1.00 0.00 C ATOM 0 H TRP A 32 -12.346 -0.003 0.312 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.853 2.796 0.450 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.593 3.015 -1.021 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.903 1.452 -1.409 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.500 -0.680 -1.073 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -17.012 -1.027 -0.537 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.481 4.074 0.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -19.137 0.606 0.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.799 4.614 1.096 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.594 2.969 1.124 1.00 0.00 H new ATOM 471 N LYS A 33 -13.920 1.481 2.586 1.00 0.00 N ATOM 472 CA LYS A 33 -14.711 1.739 3.777 1.00 0.00 C ATOM 473 C LYS A 33 -13.774 2.023 4.953 1.00 0.00 C ATOM 474 O LYS A 33 -14.212 2.502 5.999 1.00 0.00 O ATOM 475 CB LYS A 33 -15.687 0.589 4.033 1.00 0.00 C ATOM 476 CG LYS A 33 -16.880 1.058 4.868 1.00 0.00 C ATOM 477 CD LYS A 33 -17.859 -0.090 5.118 1.00 0.00 C ATOM 478 CE LYS A 33 -19.307 0.399 5.050 1.00 0.00 C ATOM 479 NZ LYS A 33 -20.124 -0.252 6.099 1.00 0.00 N ATOM 0 H LYS A 33 -13.780 0.493 2.373 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.330 2.626 3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.039 0.188 3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.173 -0.221 4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.528 1.455 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.391 1.871 4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.701 -0.875 4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.666 -0.531 6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.338 1.481 5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.725 0.181 4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.104 0.091 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.109 -1.283 5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.734 -0.022 7.035 1.00 0.00 H new ATOM 493 N ILE A 34 -12.502 1.717 4.743 1.00 0.00 N ATOM 494 CA ILE A 34 -11.500 1.934 5.772 1.00 0.00 C ATOM 495 C ILE A 34 -10.874 3.318 5.585 1.00 0.00 C ATOM 496 O ILE A 34 -10.341 3.895 6.532 1.00 0.00 O ATOM 497 CB ILE A 34 -10.481 0.793 5.776 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.175 -0.562 5.929 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.413 1.015 6.850 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.165 -1.708 5.843 1.00 0.00 C ATOM 0 H ILE A 34 -12.142 1.320 3.875 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.960 1.923 6.760 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.972 0.787 4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.695 -0.602 6.886 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.929 -0.678 5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.701 0.190 6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.889 1.951 6.654 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.887 1.063 7.830 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.684 -2.660 5.955 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.664 -1.679 4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.426 -1.602 6.637 1.00 0.00 H new ATOM 512 N LEU A 35 -10.959 3.809 4.358 1.00 0.00 N ATOM 513 CA LEU A 35 -10.407 5.114 4.035 1.00 0.00 C ATOM 514 C LEU A 35 -11.513 6.168 4.126 1.00 0.00 C ATOM 515 O LEU A 35 -11.233 7.365 4.167 1.00 0.00 O ATOM 516 CB LEU A 35 -9.704 5.077 2.677 1.00 0.00 C ATOM 517 CG LEU A 35 -8.182 4.918 2.713 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.550 5.397 1.405 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.586 5.627 3.931 1.00 0.00 C ATOM 0 H LEU A 35 -11.402 3.327 3.575 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.640 5.392 4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.122 4.254 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.941 5.997 2.142 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.951 3.857 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.468 5.273 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.943 4.810 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.788 6.449 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.504 5.499 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.826 6.689 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.004 5.198 4.842 1.00 0.00 H new ATOM 531 N ALA A 36 -12.746 5.684 4.156 1.00 0.00 N ATOM 532 CA ALA A 36 -13.895 6.569 4.241 1.00 0.00 C ATOM 533 C ALA A 36 -13.810 7.385 5.532 1.00 0.00 C ATOM 534 O ALA A 36 -13.950 8.607 5.509 1.00 0.00 O ATOM 535 CB ALA A 36 -15.182 5.745 4.157 1.00 0.00 C ATOM 0 H ALA A 36 -12.974 4.690 4.123 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.901 7.270 3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.044 6.409 4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.208 5.207 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.212 5.032 4.981 1.00 0.00 H new ATOM 541 N PRO A 37 -13.574 6.659 6.657 1.00 0.00 N ATOM 542 CA PRO A 37 -13.468 7.302 7.956 1.00 0.00 C ATOM 543 C PRO A 37 -12.128 8.027 8.101 1.00 0.00 C ATOM 544 O PRO A 37 -11.851 8.627 9.138 1.00 0.00 O ATOM 545 CB PRO A 37 -13.650 6.182 8.967 1.00 0.00 C ATOM 546 CG PRO A 37 -13.387 4.891 8.209 1.00 0.00 C ATOM 547 CD PRO A 37 -13.403 5.210 6.723 1.00 0.00 C ATOM 0 HA PRO A 37 -14.219 8.078 8.103 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.958 6.293 9.802 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.657 6.192 9.384 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.425 4.468 8.498 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.147 4.147 8.448 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.476 4.898 6.241 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.216 4.692 6.215 1.00 0.00 H new ATOM 555 N TYR A 38 -11.331 7.947 7.045 1.00 0.00 N ATOM 556 CA TYR A 38 -10.027 8.587 7.042 1.00 0.00 C ATOM 557 C TYR A 38 -9.919 9.607 5.906 1.00 0.00 C ATOM 558 O TYR A 38 -8.916 10.309 5.791 1.00 0.00 O ATOM 559 CB TYR A 38 -9.009 7.469 6.806 1.00 0.00 C ATOM 560 CG TYR A 38 -8.541 6.773 8.085 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.277 5.732 8.613 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.383 7.186 8.712 1.00 0.00 C ATOM 563 CE1 TYR A 38 -8.836 5.076 9.817 1.00 0.00 C ATOM 564 CE2 TYR A 38 -6.942 6.531 9.916 1.00 0.00 C ATOM 565 CZ TYR A 38 -7.691 5.508 10.409 1.00 0.00 C ATOM 566 OH TYR A 38 -7.275 4.890 11.546 1.00 0.00 O ATOM 0 H TYR A 38 -11.564 7.449 6.186 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.857 9.116 7.980 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.449 6.726 6.140 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.142 7.884 6.292 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.184 5.409 8.123 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.807 8.001 8.299 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.402 4.259 10.240 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.038 6.845 10.416 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.353 4.579 11.431 1.00 0.00 H new ATOM 576 N LEU A 39 -10.967 9.655 5.097 1.00 0.00 N ATOM 577 CA LEU A 39 -11.003 10.577 3.974 1.00 0.00 C ATOM 578 C LEU A 39 -11.962 11.726 4.294 1.00 0.00 C ATOM 579 O LEU A 39 -12.162 12.620 3.473 1.00 0.00 O ATOM 580 CB LEU A 39 -11.344 9.834 2.681 1.00 0.00 C ATOM 581 CG LEU A 39 -10.154 9.298 1.882 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.101 8.688 2.809 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.614 8.310 0.809 1.00 0.00 C ATOM 0 H LEU A 39 -11.797 9.071 5.196 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.019 11.017 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.997 8.997 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.915 10.505 2.039 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.683 10.136 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.266 8.315 2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.742 9.449 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.543 7.865 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.749 7.944 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.124 7.470 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.298 8.810 0.123 1.00 0.00 H new ATOM 595 N GLU A 40 -12.529 11.665 5.490 1.00 0.00 N ATOM 596 CA GLU A 40 -13.462 12.689 5.928 1.00 0.00 C ATOM 597 C GLU A 40 -14.755 12.614 5.113 1.00 0.00 C ATOM 598 O GLU A 40 -15.309 13.641 4.726 1.00 0.00 O ATOM 599 CB GLU A 40 -12.833 14.081 5.832 1.00 0.00 C ATOM 600 CG GLU A 40 -11.447 14.102 6.479 1.00 0.00 C ATOM 601 CD GLU A 40 -11.547 14.379 7.981 1.00 0.00 C ATOM 602 OE1 GLU A 40 -11.880 13.423 8.713 1.00 0.00 O ATOM 603 OE2 GLU A 40 -11.288 15.541 8.362 1.00 0.00 O ATOM 0 H GLU A 40 -12.360 10.923 6.169 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.705 12.507 6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.754 14.377 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.478 14.810 6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.950 13.146 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.832 14.867 6.005 1.00 0.00 H new ATOM 610 N MET A 41 -15.197 11.388 4.877 1.00 0.00 N ATOM 611 CA MET A 41 -16.414 11.165 4.115 1.00 0.00 C ATOM 612 C MET A 41 -17.653 11.462 4.962 1.00 0.00 C ATOM 613 O MET A 41 -17.545 11.708 6.162 1.00 0.00 O ATOM 614 CB MET A 41 -16.458 9.713 3.637 1.00 0.00 C ATOM 615 CG MET A 41 -15.537 9.504 2.433 1.00 0.00 C ATOM 616 SD MET A 41 -16.414 9.872 0.922 1.00 0.00 S ATOM 617 CE MET A 41 -15.426 11.227 0.312 1.00 0.00 C ATOM 0 H MET A 41 -14.734 10.538 5.200 1.00 0.00 H new ATOM 0 HA MET A 41 -16.413 11.839 3.258 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.158 9.050 4.448 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.480 9.446 3.368 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.660 10.146 2.520 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.178 8.475 2.414 1.00 0.00 H new ATOM 0 HE1 MET A 41 -15.837 11.581 -0.633 1.00 0.00 H new ATOM 0 HE2 MET A 41 -15.435 12.040 1.038 1.00 0.00 H new ATOM 0 HE3 MET A 41 -14.401 10.889 0.158 1.00 0.00 H new ATOM 627 N LYS A 42 -18.803 11.429 4.304 1.00 0.00 N ATOM 628 CA LYS A 42 -20.061 11.691 4.981 1.00 0.00 C ATOM 629 C LYS A 42 -20.860 10.391 5.085 1.00 0.00 C ATOM 630 O LYS A 42 -20.993 9.660 4.104 1.00 0.00 O ATOM 631 CB LYS A 42 -20.818 12.824 4.285 1.00 0.00 C ATOM 632 CG LYS A 42 -20.123 14.169 4.513 1.00 0.00 C ATOM 633 CD LYS A 42 -20.485 14.748 5.882 1.00 0.00 C ATOM 634 CE LYS A 42 -19.577 15.928 6.235 1.00 0.00 C ATOM 635 NZ LYS A 42 -20.186 16.747 7.306 1.00 0.00 N ATOM 0 H LYS A 42 -18.889 11.225 3.308 1.00 0.00 H new ATOM 0 HA LYS A 42 -19.881 12.037 5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -20.882 12.620 3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.839 12.870 4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -19.043 14.041 4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.413 14.869 3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -21.525 15.073 5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.394 13.974 6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.603 15.561 6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.408 16.542 5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.557 17.544 7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.105 17.112 6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -20.324 16.162 8.154 1.00 0.00 H new ATOM 649 N ASP A 43 -21.372 10.142 6.281 1.00 0.00 N ATOM 650 CA ASP A 43 -22.155 8.942 6.526 1.00 0.00 C ATOM 651 C ASP A 43 -23.048 8.666 5.314 1.00 0.00 C ATOM 652 O ASP A 43 -23.135 7.530 4.849 1.00 0.00 O ATOM 653 CB ASP A 43 -23.057 9.113 7.749 1.00 0.00 C ATOM 654 CG ASP A 43 -22.429 9.884 8.913 1.00 0.00 C ATOM 655 OD1 ASP A 43 -21.315 9.490 9.319 1.00 0.00 O ATOM 656 OD2 ASP A 43 -23.079 10.849 9.370 1.00 0.00 O ATOM 0 H ASP A 43 -21.260 10.751 7.092 1.00 0.00 H new ATOM 0 HA ASP A 43 -21.464 8.118 6.701 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -23.967 9.627 7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -23.353 8.126 8.104 1.00 0.00 H new ATOM 661 N SER A 44 -23.689 9.723 4.839 1.00 0.00 N ATOM 662 CA SER A 44 -24.572 9.608 3.691 1.00 0.00 C ATOM 663 C SER A 44 -23.780 9.151 2.464 1.00 0.00 C ATOM 664 O SER A 44 -24.157 8.185 1.802 1.00 0.00 O ATOM 665 CB SER A 44 -25.277 10.936 3.403 1.00 0.00 C ATOM 666 OG SER A 44 -26.251 11.249 4.394 1.00 0.00 O ATOM 0 H SER A 44 -23.615 10.663 5.228 1.00 0.00 H new ATOM 0 HA SER A 44 -25.335 8.864 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 44 -24.538 11.736 3.356 1.00 0.00 H new ATOM 0 HB3 SER A 44 -25.757 10.887 2.426 1.00 0.00 H new ATOM 0 HG SER A 44 -26.677 12.104 4.175 1.00 0.00 H new ATOM 672 N GLU A 45 -22.697 9.866 2.199 1.00 0.00 N ATOM 673 CA GLU A 45 -21.848 9.545 1.064 1.00 0.00 C ATOM 674 C GLU A 45 -21.460 8.066 1.092 1.00 0.00 C ATOM 675 O GLU A 45 -21.757 7.325 0.156 1.00 0.00 O ATOM 676 CB GLU A 45 -20.605 10.438 1.039 1.00 0.00 C ATOM 677 CG GLU A 45 -20.601 11.337 -0.198 1.00 0.00 C ATOM 678 CD GLU A 45 -20.557 10.505 -1.481 1.00 0.00 C ATOM 679 OE1 GLU A 45 -21.654 10.162 -1.973 1.00 0.00 O ATOM 680 OE2 GLU A 45 -19.428 10.230 -1.941 1.00 0.00 O ATOM 0 H GLU A 45 -22.388 10.666 2.750 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.410 9.735 0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.576 11.052 1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.708 9.819 1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.492 11.965 -0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.740 12.005 -0.164 1.00 0.00 H new ATOM 687 N ILE A 46 -20.803 7.680 2.175 1.00 0.00 N ATOM 688 CA ILE A 46 -20.372 6.302 2.338 1.00 0.00 C ATOM 689 C ILE A 46 -21.500 5.364 1.904 1.00 0.00 C ATOM 690 O ILE A 46 -21.266 4.399 1.178 1.00 0.00 O ATOM 691 CB ILE A 46 -19.884 6.058 3.767 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.640 6.894 4.073 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.649 4.567 4.019 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.291 6.834 5.562 1.00 0.00 C ATOM 0 H ILE A 46 -20.558 8.298 2.949 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.518 6.092 1.695 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.666 6.382 4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.799 6.529 3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.811 7.929 3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -19.303 4.421 5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.581 4.022 3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.896 4.195 3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.403 7.437 5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -19.125 7.222 6.147 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -18.096 5.801 5.849 1.00 0.00 H new ATOM 706 N ARG A 47 -22.700 5.681 2.368 1.00 0.00 N ATOM 707 CA ARG A 47 -23.866 4.878 2.037 1.00 0.00 C ATOM 708 C ARG A 47 -24.199 5.014 0.550 1.00 0.00 C ATOM 709 O ARG A 47 -24.567 4.037 -0.099 1.00 0.00 O ATOM 710 CB ARG A 47 -25.080 5.303 2.865 1.00 0.00 C ATOM 711 CG ARG A 47 -25.061 4.642 4.245 1.00 0.00 C ATOM 712 CD ARG A 47 -26.425 4.038 4.582 1.00 0.00 C ATOM 713 NE ARG A 47 -26.438 3.569 5.986 1.00 0.00 N ATOM 714 CZ ARG A 47 -26.479 4.383 7.050 1.00 0.00 C ATOM 715 NH1 ARG A 47 -26.512 5.711 6.876 1.00 0.00 N ATOM 716 NH2 ARG A 47 -26.488 3.869 8.287 1.00 0.00 N ATOM 0 H ARG A 47 -22.890 6.482 2.970 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.629 3.839 2.267 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -25.087 6.387 2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -25.996 5.031 2.340 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -24.299 3.863 4.269 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.788 5.378 5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -27.208 4.781 4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -26.640 3.207 3.910 1.00 0.00 H new ATOM 0 HE ARG A 47 -26.414 2.563 6.154 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -26.506 6.102 5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -26.543 6.331 7.685 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -26.464 2.858 8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -26.519 4.489 9.097 1.00 0.00 H new ATOM 730 N GLN A 48 -24.057 6.235 0.053 1.00 0.00 N ATOM 731 CA GLN A 48 -24.339 6.511 -1.345 1.00 0.00 C ATOM 732 C GLN A 48 -23.503 5.598 -2.245 1.00 0.00 C ATOM 733 O GLN A 48 -24.049 4.842 -3.047 1.00 0.00 O ATOM 734 CB GLN A 48 -24.088 7.984 -1.674 1.00 0.00 C ATOM 735 CG GLN A 48 -25.146 8.878 -1.025 1.00 0.00 C ATOM 736 CD GLN A 48 -26.446 8.864 -1.830 1.00 0.00 C ATOM 737 OE1 GLN A 48 -26.654 9.654 -2.737 1.00 0.00 O ATOM 738 NE2 GLN A 48 -27.307 7.924 -1.451 1.00 0.00 N ATOM 0 H GLN A 48 -23.750 7.044 0.594 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.393 6.306 -1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.097 8.275 -1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.100 8.126 -2.755 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.340 8.537 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.770 9.899 -0.953 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -27.070 7.295 -0.684 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -28.204 7.832 -1.928 1.00 0.00 H new ATOM 747 N ILE A 49 -22.192 5.699 -2.082 1.00 0.00 N ATOM 748 CA ILE A 49 -21.275 4.893 -2.870 1.00 0.00 C ATOM 749 C ILE A 49 -21.706 3.426 -2.801 1.00 0.00 C ATOM 750 O ILE A 49 -21.850 2.769 -3.831 1.00 0.00 O ATOM 751 CB ILE A 49 -19.832 5.131 -2.423 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.397 6.568 -2.718 1.00 0.00 C ATOM 753 CG2 ILE A 49 -18.886 4.106 -3.052 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.329 7.033 -1.726 1.00 0.00 C ATOM 0 H ILE A 49 -21.743 6.327 -1.416 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.312 5.189 -3.918 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.783 4.994 -1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -19.007 6.632 -3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.261 7.231 -2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -17.867 4.298 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.184 3.102 -2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -18.933 4.186 -4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -18.038 8.057 -1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.730 6.991 -0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.457 6.383 -1.799 1.00 0.00 H new ATOM 766 N GLU A 50 -21.899 2.956 -1.577 1.00 0.00 N ATOM 767 CA GLU A 50 -22.310 1.579 -1.361 1.00 0.00 C ATOM 768 C GLU A 50 -23.498 1.232 -2.259 1.00 0.00 C ATOM 769 O GLU A 50 -23.521 0.172 -2.883 1.00 0.00 O ATOM 770 CB GLU A 50 -22.645 1.332 0.111 1.00 0.00 C ATOM 771 CG GLU A 50 -21.529 0.547 0.804 1.00 0.00 C ATOM 772 CD GLU A 50 -22.096 -0.372 1.888 1.00 0.00 C ATOM 773 OE1 GLU A 50 -22.686 0.176 2.844 1.00 0.00 O ATOM 774 OE2 GLU A 50 -21.927 -1.601 1.736 1.00 0.00 O ATOM 0 H GLU A 50 -21.778 3.504 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.478 0.926 -1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.793 2.285 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.583 0.781 0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.985 -0.045 0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.814 1.240 1.247 1.00 0.00 H new ATOM 781 N CYS A 51 -24.457 2.146 -2.297 1.00 0.00 N ATOM 782 CA CYS A 51 -25.646 1.950 -3.109 1.00 0.00 C ATOM 783 C CYS A 51 -25.249 2.076 -4.581 1.00 0.00 C ATOM 784 O CYS A 51 -25.567 1.205 -5.390 1.00 0.00 O ATOM 785 CB CYS A 51 -26.757 2.932 -2.731 1.00 0.00 C ATOM 786 SG CYS A 51 -28.394 2.169 -3.025 1.00 0.00 S ATOM 0 H CYS A 51 -24.435 3.024 -1.779 1.00 0.00 H new ATOM 0 HA CYS A 51 -26.053 0.955 -2.928 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.662 3.216 -1.683 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.662 3.845 -3.318 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.330 3.010 -2.699 1.00 0.00 H new ATOM 792 N ASP A 52 -24.560 3.166 -4.884 1.00 0.00 N ATOM 793 CA ASP A 52 -24.116 3.417 -6.244 1.00 0.00 C ATOM 794 C ASP A 52 -23.653 2.102 -6.875 1.00 0.00 C ATOM 795 O ASP A 52 -24.200 1.670 -7.889 1.00 0.00 O ATOM 796 CB ASP A 52 -22.939 4.394 -6.268 1.00 0.00 C ATOM 797 CG ASP A 52 -23.143 5.631 -7.144 1.00 0.00 C ATOM 798 OD1 ASP A 52 -22.931 5.502 -8.369 1.00 0.00 O ATOM 799 OD2 ASP A 52 -23.507 6.680 -6.568 1.00 0.00 O ATOM 0 H ASP A 52 -24.298 3.886 -4.210 1.00 0.00 H new ATOM 0 HA ASP A 52 -24.951 3.846 -6.798 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -22.736 4.719 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.053 3.863 -6.616 1.00 0.00 H new ATOM 804 N SER A 53 -22.650 1.504 -6.250 1.00 0.00 N ATOM 805 CA SER A 53 -22.107 0.248 -6.738 1.00 0.00 C ATOM 806 C SER A 53 -22.001 -0.758 -5.589 1.00 0.00 C ATOM 807 O SER A 53 -21.771 -0.375 -4.444 1.00 0.00 O ATOM 808 CB SER A 53 -20.738 0.455 -7.389 1.00 0.00 C ATOM 809 OG SER A 53 -20.708 1.621 -8.208 1.00 0.00 O ATOM 0 H SER A 53 -22.199 1.866 -5.410 1.00 0.00 H new ATOM 0 HA SER A 53 -22.784 -0.145 -7.496 1.00 0.00 H new ATOM 0 HB2 SER A 53 -19.976 0.537 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.487 -0.418 -7.992 1.00 0.00 H new ATOM 0 HG SER A 53 -20.256 1.416 -9.053 1.00 0.00 H new ATOM 815 N GLU A 54 -22.175 -2.025 -5.937 1.00 0.00 N ATOM 816 CA GLU A 54 -22.102 -3.088 -4.949 1.00 0.00 C ATOM 817 C GLU A 54 -20.652 -3.538 -4.760 1.00 0.00 C ATOM 818 O GLU A 54 -20.174 -3.646 -3.632 1.00 0.00 O ATOM 819 CB GLU A 54 -22.994 -4.266 -5.344 1.00 0.00 C ATOM 820 CG GLU A 54 -24.465 -3.962 -5.051 1.00 0.00 C ATOM 821 CD GLU A 54 -25.373 -5.060 -5.608 1.00 0.00 C ATOM 822 OE1 GLU A 54 -25.239 -6.206 -5.126 1.00 0.00 O ATOM 823 OE2 GLU A 54 -26.181 -4.729 -6.502 1.00 0.00 O ATOM 0 H GLU A 54 -22.366 -2.339 -6.889 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.469 -2.700 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -22.868 -4.483 -6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -22.687 -5.158 -4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.614 -3.873 -3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.736 -3.002 -5.491 1.00 0.00 H new ATOM 830 N ASP A 55 -19.992 -3.788 -5.882 1.00 0.00 N ATOM 831 CA ASP A 55 -18.607 -4.225 -5.854 1.00 0.00 C ATOM 832 C ASP A 55 -17.760 -3.174 -5.133 1.00 0.00 C ATOM 833 O ASP A 55 -18.105 -1.993 -5.124 1.00 0.00 O ATOM 834 CB ASP A 55 -18.052 -4.388 -7.270 1.00 0.00 C ATOM 835 CG ASP A 55 -18.318 -5.749 -7.916 1.00 0.00 C ATOM 836 OD1 ASP A 55 -17.789 -6.746 -7.378 1.00 0.00 O ATOM 837 OD2 ASP A 55 -19.044 -5.762 -8.934 1.00 0.00 O ATOM 0 H ASP A 55 -20.391 -3.696 -6.816 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.567 -5.184 -5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.481 -3.612 -7.904 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.975 -4.219 -7.244 1.00 0.00 H new ATOM 842 N MET A 56 -16.668 -3.641 -4.546 1.00 0.00 N ATOM 843 CA MET A 56 -15.770 -2.756 -3.824 1.00 0.00 C ATOM 844 C MET A 56 -14.958 -1.891 -4.791 1.00 0.00 C ATOM 845 O MET A 56 -14.848 -0.680 -4.603 1.00 0.00 O ATOM 846 CB MET A 56 -14.818 -3.587 -2.961 1.00 0.00 C ATOM 847 CG MET A 56 -15.596 -4.471 -1.984 1.00 0.00 C ATOM 848 SD MET A 56 -16.239 -3.481 -0.644 1.00 0.00 S ATOM 849 CE MET A 56 -16.824 -4.771 0.441 1.00 0.00 C ATOM 0 H MET A 56 -16.385 -4.621 -4.556 1.00 0.00 H new ATOM 0 HA MET A 56 -16.368 -2.099 -3.192 1.00 0.00 H new ATOM 0 HB2 MET A 56 -14.191 -4.209 -3.600 1.00 0.00 H new ATOM 0 HB3 MET A 56 -14.152 -2.925 -2.407 1.00 0.00 H new ATOM 0 HG2 MET A 56 -16.414 -4.969 -2.504 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.946 -5.252 -1.590 1.00 0.00 H new ATOM 0 HE1 MET A 56 -17.062 -4.346 1.416 1.00 0.00 H new ATOM 0 HE2 MET A 56 -17.718 -5.226 0.016 1.00 0.00 H new ATOM 0 HE3 MET A 56 -16.050 -5.530 0.555 1.00 0.00 H new ATOM 859 N LYS A 57 -14.411 -2.546 -5.804 1.00 0.00 N ATOM 860 CA LYS A 57 -13.613 -1.852 -6.800 1.00 0.00 C ATOM 861 C LYS A 57 -14.314 -0.550 -7.193 1.00 0.00 C ATOM 862 O LYS A 57 -13.709 0.520 -7.161 1.00 0.00 O ATOM 863 CB LYS A 57 -13.317 -2.773 -7.986 1.00 0.00 C ATOM 864 CG LYS A 57 -12.244 -3.802 -7.625 1.00 0.00 C ATOM 865 CD LYS A 57 -11.545 -4.328 -8.881 1.00 0.00 C ATOM 866 CE LYS A 57 -10.944 -5.713 -8.634 1.00 0.00 C ATOM 867 NZ LYS A 57 -11.293 -6.634 -9.738 1.00 0.00 N ATOM 0 H LYS A 57 -14.505 -3.550 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.642 -1.579 -6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.230 -3.285 -8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.985 -2.180 -8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.510 -3.349 -6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.698 -4.631 -7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.258 -4.378 -9.704 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.759 -3.635 -9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.860 -5.635 -8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.312 -6.112 -7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.877 -7.569 -9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.327 -6.722 -9.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.920 -6.259 -10.634 1.00 0.00 H new ATOM 881 N MET A 58 -15.582 -0.684 -7.554 1.00 0.00 N ATOM 882 CA MET A 58 -16.373 0.468 -7.953 1.00 0.00 C ATOM 883 C MET A 58 -16.521 1.458 -6.796 1.00 0.00 C ATOM 884 O MET A 58 -16.219 2.641 -6.943 1.00 0.00 O ATOM 885 CB MET A 58 -17.757 0.004 -8.409 1.00 0.00 C ATOM 886 CG MET A 58 -17.772 -0.281 -9.912 1.00 0.00 C ATOM 887 SD MET A 58 -18.715 0.973 -10.762 1.00 0.00 S ATOM 888 CE MET A 58 -17.583 2.348 -10.640 1.00 0.00 C ATOM 0 H MET A 58 -16.081 -1.573 -7.579 1.00 0.00 H new ATOM 0 HA MET A 58 -15.861 0.971 -8.773 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.042 -0.895 -7.862 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.497 0.769 -8.173 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.752 -0.304 -10.296 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.205 -1.263 -10.100 1.00 0.00 H new ATOM 0 HE1 MET A 58 -17.995 3.207 -11.170 1.00 0.00 H new ATOM 0 HE2 MET A 58 -17.435 2.606 -9.591 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.626 2.072 -11.084 1.00 0.00 H new ATOM 898 N ARG A 59 -16.987 0.937 -5.670 1.00 0.00 N ATOM 899 CA ARG A 59 -17.179 1.760 -4.488 1.00 0.00 C ATOM 900 C ARG A 59 -15.908 2.556 -4.183 1.00 0.00 C ATOM 901 O ARG A 59 -15.976 3.744 -3.873 1.00 0.00 O ATOM 902 CB ARG A 59 -17.540 0.903 -3.273 1.00 0.00 C ATOM 903 CG ARG A 59 -18.944 0.313 -3.416 1.00 0.00 C ATOM 904 CD ARG A 59 -19.216 -0.726 -2.326 1.00 0.00 C ATOM 905 NE ARG A 59 -20.641 -1.125 -2.350 1.00 0.00 N ATOM 906 CZ ARG A 59 -21.182 -2.029 -1.522 1.00 0.00 C ATOM 907 NH1 ARG A 59 -20.421 -2.634 -0.601 1.00 0.00 N ATOM 908 NH2 ARG A 59 -22.485 -2.328 -1.616 1.00 0.00 N ATOM 0 H ARG A 59 -17.237 -0.045 -5.551 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.001 2.446 -4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.813 0.098 -3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.486 1.508 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.685 1.110 -3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.050 -0.148 -4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.583 -1.600 -2.479 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.961 -0.315 -1.349 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.249 -0.684 -3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.429 -2.407 -0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.833 -3.322 0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -23.065 -1.867 -2.318 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -22.897 -3.016 -0.986 1.00 0.00 H new ATOM 922 N ALA A 60 -14.780 1.869 -4.281 1.00 0.00 N ATOM 923 CA ALA A 60 -13.496 2.497 -4.020 1.00 0.00 C ATOM 924 C ALA A 60 -13.295 3.661 -4.992 1.00 0.00 C ATOM 925 O ALA A 60 -13.101 4.800 -4.570 1.00 0.00 O ATOM 926 CB ALA A 60 -12.385 1.450 -4.126 1.00 0.00 C ATOM 0 H ALA A 60 -14.728 0.883 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.466 2.903 -3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.422 1.921 -3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.558 0.660 -3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.383 1.022 -5.128 1.00 0.00 H new ATOM 932 N LYS A 61 -13.350 3.335 -6.275 1.00 0.00 N ATOM 933 CA LYS A 61 -13.176 4.340 -7.310 1.00 0.00 C ATOM 934 C LYS A 61 -14.051 5.554 -6.989 1.00 0.00 C ATOM 935 O LYS A 61 -13.552 6.673 -6.887 1.00 0.00 O ATOM 936 CB LYS A 61 -13.443 3.738 -8.691 1.00 0.00 C ATOM 937 CG LYS A 61 -12.882 4.634 -9.797 1.00 0.00 C ATOM 938 CD LYS A 61 -13.665 4.454 -11.099 1.00 0.00 C ATOM 939 CE LYS A 61 -13.175 5.427 -12.173 1.00 0.00 C ATOM 940 NZ LYS A 61 -13.404 4.867 -13.524 1.00 0.00 N ATOM 0 H LYS A 61 -13.513 2.389 -6.621 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.143 4.688 -7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.990 2.749 -8.754 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.516 3.607 -8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.927 5.677 -9.483 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.831 4.396 -9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.556 3.429 -11.454 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.727 4.616 -10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.696 6.379 -12.075 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.113 5.629 -12.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.066 5.540 -14.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.887 3.970 -13.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.421 4.697 -13.662 1.00 0.00 H new ATOM 954 N GLN A 62 -15.341 5.290 -6.838 1.00 0.00 N ATOM 955 CA GLN A 62 -16.290 6.346 -6.530 1.00 0.00 C ATOM 956 C GLN A 62 -15.780 7.194 -5.362 1.00 0.00 C ATOM 957 O GLN A 62 -15.851 8.421 -5.404 1.00 0.00 O ATOM 958 CB GLN A 62 -17.673 5.769 -6.226 1.00 0.00 C ATOM 959 CG GLN A 62 -18.436 5.464 -7.517 1.00 0.00 C ATOM 960 CD GLN A 62 -19.054 6.736 -8.102 1.00 0.00 C ATOM 961 OE1 GLN A 62 -18.369 7.654 -8.520 1.00 0.00 O ATOM 962 NE2 GLN A 62 -20.384 6.738 -8.108 1.00 0.00 N ATOM 0 H GLN A 62 -15.751 4.360 -6.923 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.386 6.988 -7.405 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.569 4.858 -5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.241 6.476 -5.622 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -17.761 5.015 -8.245 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.220 4.733 -7.317 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.897 5.936 -7.742 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -20.891 7.542 -8.478 1.00 0.00 H new ATOM 971 N LEU A 63 -15.279 6.505 -4.347 1.00 0.00 N ATOM 972 CA LEU A 63 -14.758 7.178 -3.170 1.00 0.00 C ATOM 973 C LEU A 63 -13.609 8.101 -3.582 1.00 0.00 C ATOM 974 O LEU A 63 -13.571 9.266 -3.188 1.00 0.00 O ATOM 975 CB LEU A 63 -14.373 6.159 -2.096 1.00 0.00 C ATOM 976 CG LEU A 63 -13.450 6.669 -0.987 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.133 7.765 -0.166 1.00 0.00 C ATOM 978 CD2 LEU A 63 -12.959 5.517 -0.109 1.00 0.00 C ATOM 0 H LEU A 63 -15.223 5.487 -4.316 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.526 7.806 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.287 5.783 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.889 5.312 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.571 7.116 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.456 8.110 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.391 8.600 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.040 7.367 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.305 5.907 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.813 5.019 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.408 4.803 -0.721 1.00 0.00 H new ATOM 990 N LEU A 64 -12.700 7.546 -4.371 1.00 0.00 N ATOM 991 CA LEU A 64 -11.553 8.304 -4.840 1.00 0.00 C ATOM 992 C LEU A 64 -12.040 9.547 -5.587 1.00 0.00 C ATOM 993 O LEU A 64 -11.486 10.632 -5.421 1.00 0.00 O ATOM 994 CB LEU A 64 -10.625 7.413 -5.669 1.00 0.00 C ATOM 995 CG LEU A 64 -9.788 6.402 -4.883 1.00 0.00 C ATOM 996 CD1 LEU A 64 -9.996 6.571 -3.377 1.00 0.00 C ATOM 997 CD2 LEU A 64 -10.078 4.973 -5.345 1.00 0.00 C ATOM 0 H LEU A 64 -12.735 6.580 -4.697 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.955 8.651 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.229 6.869 -6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.948 8.054 -6.234 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.735 6.599 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.390 5.840 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.699 7.577 -3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.048 6.417 -3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.470 4.274 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.133 4.748 -5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.838 4.877 -6.404 1.00 0.00 H new ATOM 1009 N VAL A 65 -13.072 9.347 -6.394 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.641 10.439 -7.166 1.00 0.00 C ATOM 1011 C VAL A 65 -14.206 11.493 -6.212 1.00 0.00 C ATOM 1012 O VAL A 65 -13.787 12.649 -6.241 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.685 9.898 -8.146 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -15.178 11.001 -9.085 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -14.131 8.712 -8.937 1.00 0.00 C ATOM 0 H VAL A 65 -13.529 8.445 -6.530 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.871 10.924 -7.766 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.538 9.545 -7.566 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.919 10.591 -9.771 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.630 11.802 -8.500 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.337 11.397 -9.654 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.893 8.347 -9.626 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.254 9.029 -9.501 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.851 7.914 -8.249 1.00 0.00 H new ATOM 1025 N ALA A 66 -15.148 11.057 -5.390 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.774 11.948 -4.429 1.00 0.00 C ATOM 1027 C ALA A 66 -14.699 12.555 -3.526 1.00 0.00 C ATOM 1028 O ALA A 66 -14.806 13.710 -3.116 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.836 11.182 -3.637 1.00 0.00 C ATOM 0 H ALA A 66 -15.493 10.097 -5.370 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.277 12.769 -4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.305 11.851 -2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.593 10.797 -4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.368 10.351 -3.109 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.686 11.749 -3.242 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.592 12.192 -2.395 1.00 0.00 C ATOM 1037 C TRP A 67 -11.724 13.155 -3.208 1.00 0.00 C ATOM 1038 O TRP A 67 -11.085 14.044 -2.647 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.807 10.999 -1.845 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.423 11.362 -1.303 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.116 11.892 -0.111 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.162 11.198 -1.986 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.755 12.081 0.023 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.157 11.645 -1.154 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.881 10.687 -3.266 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.803 11.628 -1.508 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.523 10.677 -3.606 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.499 11.124 -2.779 1.00 0.00 C ATOM 0 H TRP A 67 -13.600 10.792 -3.584 1.00 0.00 H new ATOM 0 HA TRP A 67 -12.971 12.720 -1.520 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.387 10.532 -1.049 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.693 10.256 -2.635 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.842 12.140 0.649 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.276 12.469 0.836 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.652 10.331 -3.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.035 11.984 -0.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.252 10.295 -4.579 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.473 11.083 -3.115 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.730 12.945 -4.516 1.00 0.00 N ATOM 1060 CA GLN A 68 -10.951 13.783 -5.412 1.00 0.00 C ATOM 1061 C GLN A 68 -11.684 15.100 -5.677 1.00 0.00 C ATOM 1062 O GLN A 68 -11.054 16.147 -5.821 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.647 13.052 -6.721 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.904 13.965 -7.698 1.00 0.00 C ATOM 1065 CD GLN A 68 -9.728 13.284 -9.058 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -10.577 13.355 -9.931 1.00 0.00 O ATOM 1067 NE2 GLN A 68 -8.581 12.623 -9.187 1.00 0.00 N ATOM 0 H GLN A 68 -12.262 12.207 -4.977 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.999 14.009 -4.931 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.046 12.166 -6.516 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.577 12.708 -7.174 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.456 14.897 -7.822 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.928 14.225 -7.288 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.914 12.604 -8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.369 12.135 -10.057 1.00 0.00 H new ATOM 1076 N ASP A 69 -13.004 15.005 -5.733 1.00 0.00 N ATOM 1077 CA ASP A 69 -13.829 16.175 -5.979 1.00 0.00 C ATOM 1078 C ASP A 69 -14.188 16.830 -4.643 1.00 0.00 C ATOM 1079 O ASP A 69 -14.657 17.967 -4.612 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.133 15.793 -6.683 1.00 0.00 C ATOM 1081 CG ASP A 69 -15.204 16.176 -8.163 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -14.213 16.765 -8.645 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -16.249 15.871 -8.778 1.00 0.00 O ATOM 0 H ASP A 69 -13.523 14.135 -5.612 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.264 16.858 -6.613 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.274 14.716 -6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.963 16.267 -6.160 1.00 0.00 H new ATOM 1088 N GLN A 70 -13.954 16.085 -3.573 1.00 0.00 N ATOM 1089 CA GLN A 70 -14.246 16.579 -2.239 1.00 0.00 C ATOM 1090 C GLN A 70 -13.205 17.618 -1.817 1.00 0.00 C ATOM 1091 O GLN A 70 -13.525 18.795 -1.662 1.00 0.00 O ATOM 1092 CB GLN A 70 -14.313 15.429 -1.231 1.00 0.00 C ATOM 1093 CG GLN A 70 -14.018 15.925 0.186 1.00 0.00 C ATOM 1094 CD GLN A 70 -14.871 15.181 1.216 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -15.991 14.772 0.954 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -14.281 15.027 2.398 1.00 0.00 N ATOM 0 H GLN A 70 -13.565 15.142 -3.603 1.00 0.00 H new ATOM 0 HA GLN A 70 -15.224 17.060 -2.257 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.302 14.971 -1.261 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.595 14.657 -1.507 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.961 15.782 0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.216 16.995 0.249 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.342 15.394 2.551 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.768 14.542 3.152 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.980 17.144 -1.643 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.890 18.017 -1.242 1.00 0.00 C ATOM 1107 C GLU A 71 -10.571 19.014 -2.358 1.00 0.00 C ATOM 1108 O GLU A 71 -10.109 20.122 -2.092 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.650 17.206 -0.861 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.890 16.409 0.423 1.00 0.00 C ATOM 1111 CD GLU A 71 -9.289 17.126 1.634 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -9.910 18.119 2.071 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -8.223 16.664 2.095 1.00 0.00 O ATOM 0 H GLU A 71 -11.718 16.167 -1.772 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.203 18.576 -0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.392 16.526 -1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.801 17.876 -0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.960 16.269 0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.449 15.417 0.327 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.831 18.585 -3.584 1.00 0.00 N ATOM 1121 CA GLY A 72 -10.578 19.426 -4.741 1.00 0.00 C ATOM 1122 C GLY A 72 -9.285 19.012 -5.448 1.00 0.00 C ATOM 1123 O GLY A 72 -9.197 17.914 -5.995 1.00 0.00 O ATOM 0 H GLY A 72 -11.215 17.665 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.415 19.356 -5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.509 20.468 -4.429 1.00 0.00 H new ATOM 1127 N VAL A 73 -8.315 19.913 -5.412 1.00 0.00 N ATOM 1128 CA VAL A 73 -7.031 19.655 -6.042 1.00 0.00 C ATOM 1129 C VAL A 73 -6.045 19.144 -4.990 1.00 0.00 C ATOM 1130 O VAL A 73 -4.980 18.631 -5.330 1.00 0.00 O ATOM 1131 CB VAL A 73 -6.539 20.913 -6.761 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -7.658 21.543 -7.592 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.960 21.922 -5.767 1.00 0.00 C ATOM 0 H VAL A 73 -8.392 20.822 -4.957 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.127 18.879 -6.801 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.741 20.618 -7.442 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.281 22.435 -8.092 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.004 20.828 -8.338 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.487 21.816 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.618 22.807 -6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.729 22.208 -5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.120 21.471 -5.238 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.435 19.301 -3.734 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.599 18.861 -2.630 1.00 0.00 C ATOM 1145 C HIS A 74 -5.605 17.332 -2.559 1.00 0.00 C ATOM 1146 O HIS A 74 -4.823 16.739 -1.818 1.00 0.00 O ATOM 1147 CB HIS A 74 -6.039 19.517 -1.320 1.00 0.00 C ATOM 1148 CG HIS A 74 -6.198 21.016 -1.407 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -5.196 21.899 -1.041 1.00 0.00 N ATOM 1150 CD2 HIS A 74 -7.250 21.779 -1.823 1.00 0.00 C ATOM 1151 CE1 HIS A 74 -5.637 23.134 -1.231 1.00 0.00 C ATOM 1152 NE2 HIS A 74 -6.910 23.057 -1.716 1.00 0.00 N ATOM 0 H HIS A 74 -7.319 19.727 -3.456 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.570 19.178 -2.800 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.987 19.079 -1.007 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.308 19.284 -0.545 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.199 21.406 -2.179 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.086 24.042 -1.036 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -7.503 23.851 -1.957 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.497 16.739 -3.339 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.615 15.291 -3.373 1.00 0.00 C ATOM 1162 C ALA A 75 -5.392 14.701 -4.077 1.00 0.00 C ATOM 1163 O ALA A 75 -5.409 14.494 -5.290 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.927 14.903 -4.059 1.00 0.00 C ATOM 0 H ALA A 75 -7.144 17.235 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.642 14.883 -2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.017 13.817 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.766 15.323 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.934 15.292 -5.077 1.00 0.00 H new ATOM 1170 N THR A 76 -4.360 14.446 -3.287 1.00 0.00 N ATOM 1171 CA THR A 76 -3.131 13.883 -3.819 1.00 0.00 C ATOM 1172 C THR A 76 -2.950 12.443 -3.334 1.00 0.00 C ATOM 1173 O THR A 76 -3.618 12.012 -2.396 1.00 0.00 O ATOM 1174 CB THR A 76 -1.977 14.807 -3.423 1.00 0.00 C ATOM 1175 OG1 THR A 76 -2.226 15.105 -2.052 1.00 0.00 O ATOM 1176 CG2 THR A 76 -2.051 16.167 -4.119 1.00 0.00 C ATOM 0 H THR A 76 -4.350 14.619 -2.282 1.00 0.00 H new ATOM 0 HA THR A 76 -3.161 13.825 -4.907 1.00 0.00 H new ATOM 0 HB THR A 76 -1.029 14.327 -3.664 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.524 15.699 -1.713 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.209 16.784 -3.803 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.012 16.026 -5.199 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.984 16.662 -3.851 1.00 0.00 H new ATOM 1184 N PRO A 77 -2.019 11.721 -4.013 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.741 10.339 -3.661 1.00 0.00 C ATOM 1186 C PRO A 77 -0.918 10.255 -2.375 1.00 0.00 C ATOM 1187 O PRO A 77 -1.080 9.322 -1.589 1.00 0.00 O ATOM 1188 CB PRO A 77 -1.017 9.763 -4.868 1.00 0.00 C ATOM 1189 CG PRO A 77 -0.506 10.958 -5.656 1.00 0.00 C ATOM 1190 CD PRO A 77 -1.208 12.199 -5.130 1.00 0.00 C ATOM 0 HA PRO A 77 -2.646 9.770 -3.447 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.194 9.118 -4.559 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.689 9.155 -5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.574 11.055 -5.545 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.707 10.828 -6.719 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.490 12.952 -4.804 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.827 12.660 -5.900 1.00 0.00 H new ATOM 1198 N GLU A 78 -0.052 11.243 -2.198 1.00 0.00 N ATOM 1199 CA GLU A 78 0.797 11.292 -1.020 1.00 0.00 C ATOM 1200 C GLU A 78 -0.058 11.364 0.247 1.00 0.00 C ATOM 1201 O GLU A 78 0.187 10.635 1.207 1.00 0.00 O ATOM 1202 CB GLU A 78 1.768 12.472 -1.094 1.00 0.00 C ATOM 1203 CG GLU A 78 3.219 11.988 -1.096 1.00 0.00 C ATOM 1204 CD GLU A 78 4.153 13.056 -1.669 1.00 0.00 C ATOM 1205 OE1 GLU A 78 4.294 14.104 -1.002 1.00 0.00 O ATOM 1206 OE2 GLU A 78 4.704 12.801 -2.761 1.00 0.00 O ATOM 0 H GLU A 78 0.080 12.015 -2.851 1.00 0.00 H new ATOM 0 HA GLU A 78 1.389 10.378 -0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.573 13.052 -1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.604 13.137 -0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.525 11.740 -0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.301 11.075 -1.685 1.00 0.00 H new ATOM 1213 N ASN A 79 -1.043 12.249 0.209 1.00 0.00 N ATOM 1214 CA ASN A 79 -1.935 12.425 1.342 1.00 0.00 C ATOM 1215 C ASN A 79 -2.703 11.124 1.588 1.00 0.00 C ATOM 1216 O ASN A 79 -2.778 10.648 2.720 1.00 0.00 O ATOM 1217 CB ASN A 79 -2.956 13.532 1.073 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.392 14.902 1.457 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -1.453 15.022 2.227 1.00 0.00 O ATOM 1220 ND2 ASN A 79 -3.017 15.925 0.881 1.00 0.00 N ATOM 0 H ASN A 79 -1.243 12.852 -0.589 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.330 12.695 2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.230 13.530 0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.867 13.338 1.640 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.717 16.880 1.074 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.797 15.754 0.246 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.254 10.587 0.510 1.00 0.00 N ATOM 1228 CA LEU A 80 -4.013 9.351 0.594 1.00 0.00 C ATOM 1229 C LEU A 80 -3.146 8.268 1.240 1.00 0.00 C ATOM 1230 O LEU A 80 -3.596 7.563 2.142 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.560 8.962 -0.781 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.782 8.042 -0.781 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.984 8.726 -0.127 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -6.100 7.554 -2.196 1.00 0.00 C ATOM 0 H LEU A 80 -3.190 10.985 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.887 9.484 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.817 9.874 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.763 8.474 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.547 7.162 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.839 8.050 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.740 8.982 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.230 9.634 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.973 6.902 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.307 8.410 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.247 7.002 -2.591 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.918 8.169 0.752 1.00 0.00 N ATOM 1247 CA ILE A 81 -0.984 7.184 1.270 1.00 0.00 C ATOM 1248 C ILE A 81 -0.818 7.387 2.777 1.00 0.00 C ATOM 1249 O ILE A 81 -0.755 6.420 3.534 1.00 0.00 O ATOM 1250 CB ILE A 81 0.334 7.235 0.494 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.161 6.672 -0.918 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.450 6.525 1.261 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.444 6.835 -1.735 1.00 0.00 C ATOM 0 H ILE A 81 -1.548 8.755 0.003 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.374 6.177 1.125 1.00 0.00 H new ATOM 0 HB ILE A 81 0.629 8.279 0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.107 5.617 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.661 7.184 -1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.375 6.576 0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.594 7.011 2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.177 5.481 1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.293 6.427 -2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.696 7.893 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.258 6.302 -1.244 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.753 8.652 3.167 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.596 8.994 4.571 1.00 0.00 C ATOM 1267 C ASN A 82 -1.818 8.505 5.351 1.00 0.00 C ATOM 1268 O ASN A 82 -1.679 7.874 6.398 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.490 10.509 4.760 1.00 0.00 C ATOM 1270 CG ASN A 82 0.882 10.898 5.315 1.00 0.00 C ATOM 1271 OD1 ASN A 82 1.728 11.441 4.624 1.00 0.00 O ATOM 1272 ND2 ASN A 82 1.053 10.589 6.597 1.00 0.00 N ATOM 0 H ASN A 82 -0.806 9.452 2.536 1.00 0.00 H new ATOM 0 HA ASN A 82 0.316 8.520 4.933 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.656 11.010 3.807 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.271 10.850 5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.935 10.806 7.061 1.00 0.00 H new ATOM 0 HD22 ASN A 82 0.302 10.135 7.117 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.988 8.814 4.810 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.233 8.414 5.442 1.00 0.00 C ATOM 1281 C ALA A 83 -4.293 6.887 5.520 1.00 0.00 C ATOM 1282 O ALA A 83 -4.785 6.330 6.500 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.412 9.005 4.667 1.00 0.00 C ATOM 0 H ALA A 83 -3.099 9.337 3.941 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.287 8.798 6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.346 8.705 5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.338 10.093 4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.392 8.639 3.640 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.785 6.253 4.473 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.775 4.801 4.410 1.00 0.00 C ATOM 1291 C LEU A 84 -2.980 4.250 5.595 1.00 0.00 C ATOM 1292 O LEU A 84 -3.449 3.357 6.300 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.259 4.328 3.050 1.00 0.00 C ATOM 1294 CG LEU A 84 -4.140 4.663 1.845 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.297 4.826 0.578 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.246 3.622 1.667 1.00 0.00 C ATOM 0 H LEU A 84 -3.377 6.718 3.662 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.788 4.408 4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.273 4.763 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.128 3.247 3.090 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.627 5.620 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.947 5.064 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.578 5.633 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.764 3.897 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.857 3.885 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.800 2.640 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.871 3.598 2.560 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.791 4.804 5.779 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.926 4.378 6.867 1.00 0.00 C ATOM 1310 C ASN A 85 -1.723 4.373 8.173 1.00 0.00 C ATOM 1311 O ASN A 85 -1.883 3.329 8.803 1.00 0.00 O ATOM 1312 CB ASN A 85 0.256 5.334 7.037 1.00 0.00 C ATOM 1313 CG ASN A 85 1.573 4.648 6.669 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.121 3.856 7.417 1.00 0.00 O ATOM 1315 ND2 ASN A 85 2.049 4.996 5.477 1.00 0.00 N ATOM 0 H ASN A 85 -1.406 5.545 5.193 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.552 3.382 6.631 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.111 6.212 6.408 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.300 5.684 8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.923 4.593 5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.540 5.665 4.900 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.201 5.553 8.541 1.00 0.00 N ATOM 1323 CA LYS A 86 -2.977 5.698 9.762 1.00 0.00 C ATOM 1324 C LYS A 86 -4.130 4.692 9.750 1.00 0.00 C ATOM 1325 O LYS A 86 -4.460 4.109 10.782 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.428 7.149 9.940 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.194 7.640 8.710 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.632 9.096 8.883 1.00 0.00 C ATOM 1329 CE LYS A 86 -3.430 10.041 8.826 1.00 0.00 C ATOM 1330 NZ LYS A 86 -3.877 11.451 8.858 1.00 0.00 N ATOM 0 H LYS A 86 -2.066 6.417 8.016 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.364 5.470 10.634 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.061 7.231 10.824 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.559 7.785 10.110 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.565 7.548 7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.068 7.010 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.344 9.360 8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.147 9.214 9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.766 9.845 9.668 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.857 9.856 7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.049 12.079 8.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.493 11.639 8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.404 11.628 9.737 1.00 0.00 H new ATOM 1344 N SER A 87 -4.711 4.519 8.572 1.00 0.00 N ATOM 1345 CA SER A 87 -5.820 3.594 8.413 1.00 0.00 C ATOM 1346 C SER A 87 -5.311 2.153 8.471 1.00 0.00 C ATOM 1347 O SER A 87 -6.101 1.210 8.442 1.00 0.00 O ATOM 1348 CB SER A 87 -6.560 3.843 7.097 1.00 0.00 C ATOM 1349 OG SER A 87 -6.607 2.676 6.281 1.00 0.00 O ATOM 0 H SER A 87 -4.434 5.004 7.718 1.00 0.00 H new ATOM 0 HA SER A 87 -6.522 3.758 9.230 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.575 4.177 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.067 4.647 6.551 1.00 0.00 H new ATOM 0 HG SER A 87 -5.701 2.447 5.985 1.00 0.00 H new ATOM 1355 N GLY A 88 -3.994 2.026 8.551 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.371 0.715 8.613 1.00 0.00 C ATOM 1357 C GLY A 88 -3.350 0.052 7.234 1.00 0.00 C ATOM 1358 O GLY A 88 -3.171 -1.160 7.127 1.00 0.00 O ATOM 0 H GLY A 88 -3.342 2.810 8.574 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.353 0.810 8.990 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.914 0.083 9.316 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.534 0.877 6.213 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.539 0.386 4.846 1.00 0.00 C ATOM 1364 C LEU A 89 -2.130 0.504 4.262 1.00 0.00 C ATOM 1365 O LEU A 89 -1.966 0.651 3.051 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.609 1.104 4.022 1.00 0.00 C ATOM 1367 CG LEU A 89 -6.018 0.513 4.091 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.207 -0.305 5.370 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -7.079 1.607 3.949 1.00 0.00 C ATOM 0 H LEU A 89 -3.681 1.882 6.306 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.808 -0.670 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.656 2.142 4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.291 1.113 2.979 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.144 -0.169 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.217 -0.714 5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.485 -1.121 5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.054 0.336 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.072 1.160 4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.964 2.332 4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.958 2.109 2.989 1.00 0.00 H new ATOM 1381 N SER A 90 -1.148 0.437 5.149 1.00 0.00 N ATOM 1382 CA SER A 90 0.242 0.535 4.736 1.00 0.00 C ATOM 1383 C SER A 90 0.441 -0.173 3.395 1.00 0.00 C ATOM 1384 O SER A 90 1.228 0.275 2.563 1.00 0.00 O ATOM 1385 CB SER A 90 1.174 -0.060 5.794 1.00 0.00 C ATOM 1386 OG SER A 90 1.996 0.933 6.400 1.00 0.00 O ATOM 0 H SER A 90 -1.287 0.316 6.152 1.00 0.00 H new ATOM 0 HA SER A 90 0.491 1.590 4.623 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.581 -0.557 6.561 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.804 -0.822 5.335 1.00 0.00 H new ATOM 0 HG SER A 90 2.575 0.514 7.070 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.287 -1.267 3.226 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.201 -2.042 1.999 1.00 0.00 C ATOM 1394 C ASP A 91 -0.320 -1.102 0.798 1.00 0.00 C ATOM 1395 O ASP A 91 0.528 -1.116 -0.093 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.335 -3.065 1.913 1.00 0.00 C ATOM 1397 CG ASP A 91 -0.885 -4.526 1.846 1.00 0.00 C ATOM 1398 OD1 ASP A 91 -0.536 -5.062 2.920 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -0.899 -5.073 0.722 1.00 0.00 O ATOM 0 H ASP A 91 -0.939 -1.635 3.918 1.00 0.00 H new ATOM 0 HA ASP A 91 0.756 -2.564 1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.983 -2.940 2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.936 -2.845 1.031 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.379 -0.306 0.813 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.620 0.639 -0.265 1.00 0.00 C ATOM 1406 C LEU A 92 -0.463 1.638 -0.329 1.00 0.00 C ATOM 1407 O LEU A 92 0.186 1.775 -1.365 1.00 0.00 O ATOM 1408 CB LEU A 92 -2.992 1.297 -0.104 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.154 0.611 -0.825 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.418 1.263 -2.183 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -3.909 -0.895 -0.950 1.00 0.00 C ATOM 0 H LEU A 92 -2.080 -0.296 1.554 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.650 0.123 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.228 1.345 0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.924 2.324 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.054 0.742 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.249 0.756 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.668 2.314 -2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.526 1.184 -2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.750 -1.359 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.994 -1.069 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.808 -1.331 0.044 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.240 2.309 0.791 1.00 0.00 N ATOM 1424 CA ALA A 93 0.828 3.292 0.875 1.00 0.00 C ATOM 1425 C ALA A 93 2.048 2.779 0.107 1.00 0.00 C ATOM 1426 O ALA A 93 2.568 3.468 -0.770 1.00 0.00 O ATOM 1427 CB ALA A 93 1.143 3.579 2.344 1.00 0.00 C ATOM 0 H ALA A 93 -0.780 2.192 1.648 1.00 0.00 H new ATOM 0 HA ALA A 93 0.521 4.233 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.944 4.316 2.407 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.252 3.968 2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.458 2.658 2.835 1.00 0.00 H new ATOM 1433 N GLU A 94 2.469 1.575 0.463 1.00 0.00 N ATOM 1434 CA GLU A 94 3.617 0.962 -0.182 1.00 0.00 C ATOM 1435 C GLU A 94 3.300 0.649 -1.646 1.00 0.00 C ATOM 1436 O GLU A 94 4.127 0.879 -2.527 1.00 0.00 O ATOM 1437 CB GLU A 94 4.059 -0.298 0.565 1.00 0.00 C ATOM 1438 CG GLU A 94 4.773 0.060 1.870 1.00 0.00 C ATOM 1439 CD GLU A 94 6.174 -0.553 1.914 1.00 0.00 C ATOM 1440 OE1 GLU A 94 7.088 0.079 1.341 1.00 0.00 O ATOM 1441 OE2 GLU A 94 6.299 -1.640 2.519 1.00 0.00 O ATOM 0 H GLU A 94 2.035 1.007 1.191 1.00 0.00 H new ATOM 0 HA GLU A 94 4.445 1.670 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.191 -0.921 0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.724 -0.886 -0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.843 1.144 1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.189 -0.297 2.718 1.00 0.00 H new ATOM 1448 N SER A 95 2.100 0.129 -1.859 1.00 0.00 N ATOM 1449 CA SER A 95 1.664 -0.218 -3.201 1.00 0.00 C ATOM 1450 C SER A 95 1.770 1.002 -4.118 1.00 0.00 C ATOM 1451 O SER A 95 2.430 0.949 -5.154 1.00 0.00 O ATOM 1452 CB SER A 95 0.230 -0.753 -3.193 1.00 0.00 C ATOM 1453 OG SER A 95 0.105 -1.933 -2.404 1.00 0.00 O ATOM 0 H SER A 95 1.417 -0.060 -1.126 1.00 0.00 H new ATOM 0 HA SER A 95 2.315 -1.006 -3.579 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.441 0.014 -2.807 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.083 -0.965 -4.215 1.00 0.00 H new ATOM 0 HG SER A 95 0.500 -1.779 -1.520 1.00 0.00 H new ATOM 1459 N LEU A 96 1.109 2.073 -3.703 1.00 0.00 N ATOM 1460 CA LEU A 96 1.121 3.304 -4.475 1.00 0.00 C ATOM 1461 C LEU A 96 2.567 3.754 -4.688 1.00 0.00 C ATOM 1462 O LEU A 96 3.106 3.624 -5.786 1.00 0.00 O ATOM 1463 CB LEU A 96 0.240 4.363 -3.808 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.264 4.244 -4.067 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.595 4.567 -5.526 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.785 2.867 -3.652 1.00 0.00 C ATOM 0 H LEU A 96 0.562 2.114 -2.843 1.00 0.00 H new ATOM 0 HA LEU A 96 0.690 3.138 -5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.408 4.321 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.570 5.346 -4.144 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.777 4.981 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.670 4.475 -5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.280 5.585 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.071 3.871 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.856 2.809 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.270 2.095 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.601 2.714 -2.589 1.00 0.00 H new ATOM 1478 N THR A 97 3.155 4.274 -3.620 1.00 0.00 N ATOM 1479 CA THR A 97 4.529 4.744 -3.676 1.00 0.00 C ATOM 1480 C THR A 97 5.407 3.736 -4.422 1.00 0.00 C ATOM 1481 O THR A 97 6.154 4.108 -5.326 1.00 0.00 O ATOM 1482 CB THR A 97 4.996 5.013 -2.244 1.00 0.00 C ATOM 1483 OG1 THR A 97 5.990 6.024 -2.387 1.00 0.00 O ATOM 1484 CG2 THR A 97 5.753 3.828 -1.642 1.00 0.00 C ATOM 0 H THR A 97 2.705 4.380 -2.711 1.00 0.00 H new ATOM 0 HA THR A 97 4.606 5.675 -4.238 1.00 0.00 H new ATOM 0 HB THR A 97 4.134 5.247 -1.619 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.346 6.260 -1.505 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.062 4.072 -0.625 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.104 2.953 -1.624 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.634 3.614 -2.247 1.00 0.00 H new