USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 827 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 100 GLN : amide:sc= -0.0293 X(o=-0.029,f=0) USER MOD Set 1.2: A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0914 USER MOD Single : A 7 LYS NZ :NH3+ -103:sc= -0.0648 (180deg=-1.66) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -6:sc= -1.19! USER MOD Single : A 26 THR OG1 : rot -58:sc= 0.939 USER MOD Single : A 27 GLN : amide:sc= -0.0717 K(o=-0.072,f=-0.72) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0328) USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= 1.09 (180deg=0.31) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.841 USER MOD Single : A 39 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.0086) USER MOD Single : A 42 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.15) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -61:sc= 1.02 USER MOD Single : A 61 THR OG1 : rot -170:sc= -1.12 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.006 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 168:sc= -1.61 (180deg=-1.73) USER MOD Single : A 72 ASN : amide:sc= -0.17 K(o=-0.17,f=-0.9) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0.372 (180deg=0.363) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -149:sc=-0.00771 (180deg=-0.937) USER MOD Single : A 83 ASN : amide:sc= -0.0521 X(o=-0.052,f=-0.12) USER MOD Single : A 85 LYS NZ :NH3+ 165:sc=-0.00925 (180deg=-0.209) USER MOD Single : A 94 SER OG : rot 46:sc= 1.15 USER MOD Single : A 96 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.095) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 103 THR OG1 : rot -140:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ -172:sc= 0.0722 (180deg=0.0626) USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 2 11.378 -10.028 3.389 1.00 0.00 N ATOM 14 CA PHE A 2 10.156 -9.876 4.185 1.00 0.00 C ATOM 15 C PHE A 2 10.576 -10.520 5.536 1.00 0.00 C ATOM 16 O PHE A 2 10.304 -11.678 5.846 1.00 0.00 O ATOM 17 CB PHE A 2 8.967 -10.607 3.607 1.00 0.00 C ATOM 18 CG PHE A 2 8.545 -10.087 2.240 1.00 0.00 C ATOM 19 CD1 PHE A 2 7.663 -9.059 2.026 1.00 0.00 C ATOM 20 CD2 PHE A 2 9.070 -10.664 1.086 1.00 0.00 C ATOM 21 CE1 PHE A 2 7.393 -8.724 0.706 1.00 0.00 C ATOM 22 CE2 PHE A 2 8.724 -10.232 -0.180 1.00 0.00 C ATOM 23 CZ PHE A 2 7.939 -9.328 -0.403 1.00 0.00 C ATOM 0 HA PHE A 2 9.828 -8.838 4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.206 -11.667 3.526 1.00 0.00 H new ATOM 0 HB3 PHE A 2 8.127 -10.521 4.296 1.00 0.00 H new ATOM 0 HD1 PHE A 2 7.199 -8.533 2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 2 9.773 -11.478 1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.693 -7.919 0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 2 9.178 -10.727 -1.025 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.688 -9.020 -1.407 1.00 0.00 H new ATOM 33 N ASP A 3 11.273 -9.621 6.288 1.00 0.00 N ATOM 34 CA ASP A 3 11.738 -10.080 7.570 1.00 0.00 C ATOM 35 C ASP A 3 12.289 -9.007 8.502 1.00 0.00 C ATOM 36 O ASP A 3 13.209 -9.329 9.280 1.00 0.00 O ATOM 37 CB ASP A 3 12.928 -11.019 7.269 1.00 0.00 C ATOM 38 CG ASP A 3 14.130 -10.330 6.664 1.00 0.00 C ATOM 39 OD1 ASP A 3 13.890 -9.316 6.025 1.00 0.00 O ATOM 40 OD2 ASP A 3 15.278 -10.763 6.806 1.00 0.00 O ATOM 0 H ASP A 3 11.497 -8.659 6.034 1.00 0.00 H new ATOM 0 HA ASP A 3 10.879 -10.522 8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.232 -11.508 8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.594 -11.803 6.589 1.00 0.00 H new ATOM 45 N GLY A 4 11.759 -7.771 8.449 1.00 0.00 N ATOM 46 CA GLY A 4 12.369 -6.835 9.399 1.00 0.00 C ATOM 47 C GLY A 4 11.764 -5.471 9.120 1.00 0.00 C ATOM 48 O GLY A 4 11.244 -5.302 8.012 1.00 0.00 O ATOM 0 H GLY A 4 11.011 -7.430 7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.172 -7.143 10.426 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.452 -6.810 9.276 1.00 0.00 H new ATOM 52 N THR A 5 11.842 -4.554 10.114 1.00 0.00 N ATOM 53 CA THR A 5 11.251 -3.258 9.815 1.00 0.00 C ATOM 54 C THR A 5 11.918 -2.661 8.584 1.00 0.00 C ATOM 55 O THR A 5 13.152 -2.692 8.509 1.00 0.00 O ATOM 56 CB THR A 5 11.589 -2.343 11.014 1.00 0.00 C ATOM 57 OG1 THR A 5 11.916 -2.996 12.180 1.00 0.00 O ATOM 58 CG2 THR A 5 10.434 -1.360 11.346 1.00 0.00 C ATOM 0 H THR A 5 12.265 -4.676 11.034 1.00 0.00 H new ATOM 0 HA THR A 5 10.179 -3.353 9.641 1.00 0.00 H new ATOM 0 HB THR A 5 12.475 -1.813 10.665 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.115 -2.338 12.879 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.718 -0.738 12.195 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.236 -0.726 10.482 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.536 -1.925 11.595 1.00 0.00 H new ATOM 66 N TRP A 6 11.065 -2.143 7.678 1.00 0.00 N ATOM 67 CA TRP A 6 11.417 -1.535 6.453 1.00 0.00 C ATOM 68 C TRP A 6 11.047 -0.027 6.425 1.00 0.00 C ATOM 69 O TRP A 6 9.976 0.167 6.946 1.00 0.00 O ATOM 70 CB TRP A 6 10.589 -2.009 5.216 1.00 0.00 C ATOM 71 CG TRP A 6 10.784 -3.401 4.800 1.00 0.00 C ATOM 72 CD1 TRP A 6 10.183 -4.487 5.476 1.00 0.00 C ATOM 73 CD2 TRP A 6 11.526 -4.078 3.746 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.519 -5.608 4.915 1.00 0.00 N ATOM 75 CE2 TRP A 6 11.355 -5.473 3.822 1.00 0.00 C ATOM 76 CE3 TRP A 6 12.319 -3.620 2.744 1.00 0.00 C ATOM 77 CZ2 TRP A 6 11.963 -6.290 2.936 1.00 0.00 C ATOM 78 CZ3 TRP A 6 12.946 -4.435 1.833 1.00 0.00 C ATOM 79 CH2 TRP A 6 12.768 -5.788 1.927 1.00 0.00 C ATOM 0 H TRP A 6 10.056 -2.157 7.826 1.00 0.00 H new ATOM 0 HA TRP A 6 12.477 -1.782 6.393 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.531 -1.862 5.435 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.832 -1.362 4.373 1.00 0.00 H new ATOM 0 HD1 TRP A 6 9.537 -4.397 6.336 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.193 -6.514 5.252 1.00 0.00 H new ATOM 0 HE3 TRP A 6 12.465 -2.553 2.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.819 -7.357 3.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 13.568 -4.015 1.057 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.248 -6.454 1.225 1.00 0.00 H new ATOM 90 N LYS A 7 11.900 0.795 5.849 1.00 0.00 N ATOM 91 CA LYS A 7 11.673 2.191 5.681 1.00 0.00 C ATOM 92 C LYS A 7 11.624 3.076 6.940 1.00 0.00 C ATOM 93 O LYS A 7 11.700 2.545 8.020 1.00 0.00 O ATOM 94 CB LYS A 7 10.239 2.395 5.065 1.00 0.00 C ATOM 95 CG LYS A 7 10.317 1.614 3.808 1.00 0.00 C ATOM 96 CD LYS A 7 8.972 1.579 3.023 1.00 0.00 C ATOM 97 CE LYS A 7 7.693 1.726 3.810 1.00 0.00 C ATOM 98 NZ LYS A 7 6.424 1.717 3.053 1.00 0.00 N ATOM 0 H LYS A 7 12.798 0.485 5.477 1.00 0.00 H new ATOM 0 HA LYS A 7 12.533 2.494 5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.456 2.023 5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.024 3.447 4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.091 2.040 3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.621 0.593 4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.999 2.373 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.925 0.634 2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.654 0.920 4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.746 2.661 4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.064 2.689 2.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.589 1.324 2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.725 1.132 3.554 1.00 0.00 H new ATOM 112 N VAL A 8 11.451 4.317 6.486 1.00 0.00 N ATOM 113 CA VAL A 8 11.249 5.417 7.376 1.00 0.00 C ATOM 114 C VAL A 8 12.044 5.541 8.625 1.00 0.00 C ATOM 115 O VAL A 8 12.544 4.727 9.373 1.00 0.00 O ATOM 116 CB VAL A 8 9.722 5.235 7.682 1.00 0.00 C ATOM 117 CG1 VAL A 8 9.526 4.716 9.092 1.00 0.00 C ATOM 118 CG2 VAL A 8 8.866 6.481 7.582 1.00 0.00 C ATOM 0 H VAL A 8 11.450 4.568 5.497 1.00 0.00 H new ATOM 0 HA VAL A 8 11.590 6.337 6.902 1.00 0.00 H new ATOM 0 HB VAL A 8 9.397 4.543 6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.461 4.595 9.290 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.027 3.754 9.198 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.949 5.426 9.803 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.831 6.231 7.815 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.227 7.228 8.289 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.924 6.882 6.570 1.00 0.00 H new ATOM 300 N LEU A 21 4.567 6.107 7.371 1.00 0.00 N ATOM 301 CA LEU A 21 4.481 4.736 6.900 1.00 0.00 C ATOM 302 C LEU A 21 5.795 4.056 7.402 1.00 0.00 C ATOM 303 O LEU A 21 6.494 4.759 8.097 1.00 0.00 O ATOM 304 CB LEU A 21 4.419 4.609 5.384 1.00 0.00 C ATOM 305 CG LEU A 21 4.938 5.756 4.522 1.00 0.00 C ATOM 306 CD1 LEU A 21 6.451 5.728 4.306 1.00 0.00 C ATOM 307 CD2 LEU A 21 4.351 5.664 3.089 1.00 0.00 C ATOM 0 HA LEU A 21 3.563 4.282 7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.973 3.712 5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.378 4.438 5.111 1.00 0.00 H new ATOM 0 HG LEU A 21 4.644 6.655 5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.745 6.573 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.957 5.792 5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.731 4.798 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.731 6.489 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.646 4.718 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.264 5.720 3.137 1.00 0.00 H new ATOM 319 N LYS A 22 5.876 2.805 6.942 1.00 0.00 N ATOM 320 CA LYS A 22 6.967 1.908 7.220 1.00 0.00 C ATOM 321 C LYS A 22 6.395 0.503 6.843 1.00 0.00 C ATOM 322 O LYS A 22 5.205 0.343 6.964 1.00 0.00 O ATOM 323 CB LYS A 22 7.204 1.738 8.736 1.00 0.00 C ATOM 324 CG LYS A 22 5.885 1.688 9.535 1.00 0.00 C ATOM 325 CD LYS A 22 5.962 1.730 11.055 1.00 0.00 C ATOM 326 CE LYS A 22 6.852 0.647 11.692 1.00 0.00 C ATOM 327 NZ LYS A 22 7.439 1.093 12.948 1.00 0.00 N ATOM 0 H LYS A 22 5.156 2.390 6.350 1.00 0.00 H new ATOM 0 HA LYS A 22 7.864 2.265 6.714 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.768 0.822 8.912 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.815 2.564 9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.267 2.525 9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.360 0.775 9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.334 2.709 11.358 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.954 1.633 11.458 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.260 -0.252 11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.646 0.375 10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.031 0.334 13.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.024 1.936 12.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.682 1.328 13.621 1.00 0.00 H new ATOM 341 N LEU A 23 7.351 -0.304 6.436 1.00 0.00 N ATOM 342 CA LEU A 23 6.954 -1.652 6.053 1.00 0.00 C ATOM 343 C LEU A 23 7.687 -2.438 7.184 1.00 0.00 C ATOM 344 O LEU A 23 8.361 -1.713 7.919 1.00 0.00 O ATOM 345 CB LEU A 23 7.175 -2.092 4.656 1.00 0.00 C ATOM 346 CG LEU A 23 6.041 -1.754 3.656 1.00 0.00 C ATOM 347 CD1 LEU A 23 6.655 -1.494 2.254 1.00 0.00 C ATOM 348 CD2 LEU A 23 5.007 -2.825 3.426 1.00 0.00 C ATOM 0 H LEU A 23 8.343 -0.079 6.362 1.00 0.00 H new ATOM 0 HA LEU A 23 5.876 -1.803 5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.099 -1.641 4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.326 -3.172 4.654 1.00 0.00 H new ATOM 0 HG LEU A 23 5.546 -0.899 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.860 -1.256 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.352 -0.658 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.184 -2.385 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.268 -2.469 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.491 -3.720 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.512 -3.061 4.368 1.00 0.00 H new ATOM 360 N THR A 24 7.520 -3.729 7.243 1.00 0.00 N ATOM 361 CA THR A 24 8.156 -4.561 8.282 1.00 0.00 C ATOM 362 C THR A 24 8.125 -6.007 7.800 1.00 0.00 C ATOM 363 O THR A 24 8.945 -6.477 7.038 1.00 0.00 O ATOM 364 CB THR A 24 7.433 -4.304 9.602 1.00 0.00 C ATOM 365 OG1 THR A 24 7.592 -2.934 9.990 1.00 0.00 O ATOM 366 CG2 THR A 24 7.789 -5.188 10.775 1.00 0.00 C ATOM 0 H THR A 24 6.945 -4.254 6.584 1.00 0.00 H new ATOM 0 HA THR A 24 9.203 -4.316 8.459 1.00 0.00 H new ATOM 0 HB THR A 24 6.399 -4.560 9.372 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.216 -2.491 9.378 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.201 -4.894 11.644 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.574 -6.227 10.526 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.850 -5.082 11.002 1.00 0.00 H new ATOM 374 N ILE A 25 7.129 -6.731 8.275 1.00 0.00 N ATOM 375 CA ILE A 25 7.015 -8.120 7.879 1.00 0.00 C ATOM 376 C ILE A 25 8.144 -9.025 8.311 1.00 0.00 C ATOM 377 O ILE A 25 9.296 -8.695 8.386 1.00 0.00 O ATOM 378 CB ILE A 25 6.875 -8.159 6.341 1.00 0.00 C ATOM 379 CG1 ILE A 25 6.392 -6.917 5.626 1.00 0.00 C ATOM 380 CG2 ILE A 25 5.898 -9.313 5.982 1.00 0.00 C ATOM 381 CD1 ILE A 25 7.439 -6.224 4.719 1.00 0.00 C ATOM 0 H ILE A 25 6.409 -6.394 8.915 1.00 0.00 H new ATOM 0 HA ILE A 25 6.142 -8.517 8.397 1.00 0.00 H new ATOM 0 HB ILE A 25 7.900 -8.283 5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.527 -7.182 5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.050 -6.199 6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.779 -9.365 4.900 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.300 -10.257 6.349 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.929 -9.127 6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.992 -5.345 4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.296 -5.920 5.320 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.766 -6.918 3.945 1.00 0.00 H new ATOM 393 N THR A 26 7.749 -10.260 8.610 1.00 0.00 N ATOM 394 CA THR A 26 8.757 -11.200 9.031 1.00 0.00 C ATOM 395 C THR A 26 7.923 -12.410 9.555 1.00 0.00 C ATOM 396 O THR A 26 7.961 -12.651 10.734 1.00 0.00 O ATOM 397 CB THR A 26 9.664 -10.745 10.162 1.00 0.00 C ATOM 398 OG1 THR A 26 10.351 -11.771 10.826 1.00 0.00 O ATOM 399 CG2 THR A 26 8.852 -9.923 11.199 1.00 0.00 C ATOM 0 H THR A 26 6.792 -10.610 8.570 1.00 0.00 H new ATOM 0 HA THR A 26 9.432 -11.387 8.196 1.00 0.00 H new ATOM 0 HB THR A 26 10.429 -10.136 9.680 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.707 -12.415 11.188 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.511 -9.602 12.005 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.421 -9.048 10.713 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.053 -10.541 11.608 1.00 0.00 H new ATOM 407 N GLN A 27 7.313 -12.935 8.490 1.00 0.00 N ATOM 408 CA GLN A 27 6.465 -14.096 8.713 1.00 0.00 C ATOM 409 C GLN A 27 6.850 -14.927 9.939 1.00 0.00 C ATOM 410 O GLN A 27 7.995 -15.349 10.030 1.00 0.00 O ATOM 411 CB GLN A 27 6.316 -14.972 7.467 1.00 0.00 C ATOM 412 CG GLN A 27 7.493 -14.948 6.510 1.00 0.00 C ATOM 413 CD GLN A 27 8.848 -15.349 7.091 1.00 0.00 C ATOM 414 OE1 GLN A 27 9.021 -16.348 7.755 1.00 0.00 O ATOM 415 NE2 GLN A 27 9.751 -14.427 6.735 1.00 0.00 N ATOM 0 H GLN A 27 7.383 -12.600 7.529 1.00 0.00 H new ATOM 0 HA GLN A 27 5.485 -13.674 8.934 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.149 -16.001 7.785 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.424 -14.657 6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.269 -15.612 5.676 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.581 -13.941 6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.467 -13.628 6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.723 -14.524 7.030 1.00 0.00 H new ATOM 424 N GLU A 28 5.786 -15.055 10.773 1.00 0.00 N ATOM 425 CA GLU A 28 6.057 -15.832 12.005 1.00 0.00 C ATOM 426 C GLU A 28 6.244 -17.281 11.567 1.00 0.00 C ATOM 427 O GLU A 28 6.652 -18.043 12.463 1.00 0.00 O ATOM 428 CB GLU A 28 4.929 -15.559 12.986 1.00 0.00 C ATOM 429 CG GLU A 28 3.891 -16.685 13.174 1.00 0.00 C ATOM 430 CD GLU A 28 3.258 -16.549 14.540 1.00 0.00 C ATOM 431 OE1 GLU A 28 2.323 -15.747 14.643 1.00 0.00 O ATOM 432 OE2 GLU A 28 3.762 -17.259 15.407 1.00 0.00 O ATOM 0 H GLU A 28 4.845 -14.682 10.643 1.00 0.00 H new ATOM 0 HA GLU A 28 6.965 -15.554 12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.369 -15.335 13.958 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.403 -14.662 12.660 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.128 -16.627 12.398 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.371 -17.659 13.077 1.00 0.00 H new ATOM 439 N GLY A 29 5.960 -17.586 10.309 1.00 0.00 N ATOM 440 CA GLY A 29 6.148 -18.996 9.927 1.00 0.00 C ATOM 441 C GLY A 29 5.332 -19.090 8.612 1.00 0.00 C ATOM 442 O GLY A 29 5.768 -19.722 7.663 1.00 0.00 O ATOM 0 H GLY A 29 5.627 -16.949 9.585 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.199 -19.239 9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.772 -19.678 10.689 1.00 0.00 H new ATOM 446 N ASN A 30 4.180 -18.383 8.771 1.00 0.00 N ATOM 447 CA ASN A 30 3.172 -18.236 7.781 1.00 0.00 C ATOM 448 C ASN A 30 2.259 -17.060 8.044 1.00 0.00 C ATOM 449 O ASN A 30 1.521 -16.757 7.078 1.00 0.00 O ATOM 450 CB ASN A 30 2.195 -19.440 7.800 1.00 0.00 C ATOM 451 CG ASN A 30 2.197 -20.264 9.040 1.00 0.00 C ATOM 452 OD1 ASN A 30 3.016 -21.162 9.194 1.00 0.00 O ATOM 453 ND2 ASN A 30 1.251 -19.934 9.937 1.00 0.00 N ATOM 0 H ASN A 30 3.956 -17.896 9.639 1.00 0.00 H new ATOM 0 HA ASN A 30 3.726 -18.128 6.848 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.184 -19.065 7.639 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.433 -20.088 6.957 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.182 -20.446 10.817 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.603 -19.172 9.738 1.00 0.00 H new ATOM 460 N LYS A 31 2.257 -16.415 9.204 1.00 0.00 N ATOM 461 CA LYS A 31 1.292 -15.294 9.261 1.00 0.00 C ATOM 462 C LYS A 31 2.158 -14.286 8.471 1.00 0.00 C ATOM 463 O LYS A 31 3.248 -14.074 9.031 1.00 0.00 O ATOM 464 CB LYS A 31 0.984 -14.798 10.626 1.00 0.00 C ATOM 465 CG LYS A 31 -0.471 -15.266 10.916 1.00 0.00 C ATOM 466 CD LYS A 31 -1.229 -14.320 11.819 1.00 0.00 C ATOM 467 CE LYS A 31 -2.712 -14.646 11.830 1.00 0.00 C ATOM 468 NZ LYS A 31 -3.021 -16.022 12.246 1.00 0.00 N ATOM 0 H LYS A 31 2.828 -16.602 10.029 1.00 0.00 H new ATOM 0 HA LYS A 31 0.292 -15.522 8.893 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.681 -15.205 11.359 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.065 -13.712 10.677 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.008 -15.368 9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.444 -16.254 11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.832 -14.383 12.832 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.081 -13.294 11.482 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.221 -13.952 12.500 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.117 -14.480 10.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.052 -16.142 12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.637 -16.690 11.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.593 -16.208 13.175 1.00 0.00 H new ATOM 482 N PHE A 32 1.713 -13.768 7.350 1.00 0.00 N ATOM 483 CA PHE A 32 2.640 -12.831 6.680 1.00 0.00 C ATOM 484 C PHE A 32 1.697 -11.632 6.539 1.00 0.00 C ATOM 485 O PHE A 32 0.831 -11.688 5.699 1.00 0.00 O ATOM 486 CB PHE A 32 3.193 -13.445 5.437 1.00 0.00 C ATOM 487 CG PHE A 32 3.580 -12.403 4.427 1.00 0.00 C ATOM 488 CD1 PHE A 32 2.769 -11.804 3.514 1.00 0.00 C ATOM 489 CD2 PHE A 32 4.904 -11.997 4.407 1.00 0.00 C ATOM 490 CE1 PHE A 32 3.274 -10.857 2.637 1.00 0.00 C ATOM 491 CE2 PHE A 32 5.312 -11.055 3.511 1.00 0.00 C ATOM 492 CZ PHE A 32 4.607 -10.518 2.698 1.00 0.00 C ATOM 0 H PHE A 32 0.813 -13.941 6.903 1.00 0.00 H new ATOM 0 HA PHE A 32 3.567 -12.552 7.181 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.064 -14.051 5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.452 -14.116 5.002 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.723 -12.069 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.612 -12.426 5.100 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.626 -10.388 1.911 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.353 -10.767 3.533 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.015 -9.779 2.024 1.00 0.00 H new ATOM 502 N THR A 33 2.082 -10.739 7.455 1.00 0.00 N ATOM 503 CA THR A 33 1.298 -9.509 7.489 1.00 0.00 C ATOM 504 C THR A 33 2.217 -8.467 6.945 1.00 0.00 C ATOM 505 O THR A 33 3.338 -8.315 7.423 1.00 0.00 O ATOM 506 CB THR A 33 0.801 -9.270 8.889 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.594 -9.061 8.978 1.00 0.00 O ATOM 508 CG2 THR A 33 1.439 -8.052 9.490 1.00 0.00 C ATOM 0 H THR A 33 2.851 -10.826 8.119 1.00 0.00 H new ATOM 0 HA THR A 33 0.388 -9.525 6.889 1.00 0.00 H new ATOM 0 HB THR A 33 1.065 -10.184 9.422 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.844 -8.914 9.914 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.061 -7.905 10.502 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.520 -8.186 9.523 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.200 -7.179 8.883 1.00 0.00 H new ATOM 516 N VAL A 34 1.742 -7.755 5.950 1.00 0.00 N ATOM 517 CA VAL A 34 2.645 -6.735 5.420 1.00 0.00 C ATOM 518 C VAL A 34 2.252 -5.503 6.175 1.00 0.00 C ATOM 519 O VAL A 34 1.121 -5.185 6.516 1.00 0.00 O ATOM 520 CB VAL A 34 2.258 -6.723 3.939 1.00 0.00 C ATOM 521 CG1 VAL A 34 2.422 -5.442 3.186 1.00 0.00 C ATOM 522 CG2 VAL A 34 3.007 -7.806 3.130 1.00 0.00 C ATOM 0 H VAL A 34 0.823 -7.839 5.516 1.00 0.00 H new ATOM 0 HA VAL A 34 3.723 -6.861 5.516 1.00 0.00 H new ATOM 0 HB VAL A 34 1.187 -6.910 4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.109 -5.585 2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.809 -4.668 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.468 -5.138 3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.699 -7.758 2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.081 -7.635 3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.770 -8.790 3.533 1.00 0.00 H new ATOM 532 N LYS A 35 3.380 -4.796 6.408 1.00 0.00 N ATOM 533 CA LYS A 35 3.274 -3.548 7.107 1.00 0.00 C ATOM 534 C LYS A 35 2.982 -2.381 6.188 1.00 0.00 C ATOM 535 O LYS A 35 3.627 -1.443 5.820 1.00 0.00 O ATOM 536 CB LYS A 35 4.500 -3.370 8.008 1.00 0.00 C ATOM 537 CG LYS A 35 4.531 -2.069 8.867 1.00 0.00 C ATOM 538 CD LYS A 35 4.888 -2.334 10.305 1.00 0.00 C ATOM 539 CE LYS A 35 3.631 -2.371 11.219 1.00 0.00 C ATOM 540 NZ LYS A 35 3.008 -3.699 11.270 1.00 0.00 N ATOM 0 H LYS A 35 4.321 -5.071 6.128 1.00 0.00 H new ATOM 0 HA LYS A 35 2.399 -3.570 7.757 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.561 -4.227 8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.392 -3.391 7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.253 -1.373 8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.556 -1.585 8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.418 -3.284 10.378 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.570 -1.561 10.658 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.911 -2.066 12.227 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.902 -1.646 10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.593 -3.852 12.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.261 -3.760 10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.727 -4.427 11.086 1.00 0.00 H new ATOM 554 N GLU A 36 1.696 -2.525 5.735 1.00 0.00 N ATOM 555 CA GLU A 36 1.065 -1.620 4.841 1.00 0.00 C ATOM 556 C GLU A 36 0.603 -0.363 5.613 1.00 0.00 C ATOM 557 O GLU A 36 -0.530 0.096 5.409 1.00 0.00 O ATOM 558 CB GLU A 36 -0.216 -2.309 4.319 1.00 0.00 C ATOM 559 CG GLU A 36 0.068 -3.152 3.041 1.00 0.00 C ATOM 560 CD GLU A 36 -0.543 -2.362 1.874 1.00 0.00 C ATOM 561 OE1 GLU A 36 0.067 -1.358 1.522 1.00 0.00 O ATOM 562 OE2 GLU A 36 -1.583 -2.774 1.372 1.00 0.00 O ATOM 0 H GLU A 36 1.097 -3.302 6.013 1.00 0.00 H new ATOM 0 HA GLU A 36 1.755 -1.347 4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.626 -2.953 5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.971 -1.555 4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.139 -3.296 2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.379 -4.143 3.119 1.00 0.00 H new ATOM 569 N SER A 37 1.451 0.192 6.488 1.00 0.00 N ATOM 570 CA SER A 37 0.915 1.393 7.168 1.00 0.00 C ATOM 571 C SER A 37 0.805 2.446 6.070 1.00 0.00 C ATOM 572 O SER A 37 1.838 2.748 5.502 1.00 0.00 O ATOM 573 CB SER A 37 1.903 1.666 8.273 1.00 0.00 C ATOM 574 OG SER A 37 1.600 2.974 8.770 1.00 0.00 O ATOM 0 H SER A 37 2.394 -0.114 6.727 1.00 0.00 H new ATOM 0 HA SER A 37 -0.069 1.330 7.632 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.818 0.920 9.064 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.926 1.619 7.900 1.00 0.00 H new ATOM 0 HG SER A 37 2.218 3.199 9.496 1.00 0.00 H new ATOM 580 N SER A 38 -0.426 2.929 5.837 1.00 0.00 N ATOM 581 CA SER A 38 -0.508 3.933 4.773 1.00 0.00 C ATOM 582 C SER A 38 -1.810 4.683 4.874 1.00 0.00 C ATOM 583 O SER A 38 -2.855 4.172 4.433 1.00 0.00 O ATOM 584 CB SER A 38 -0.434 3.191 3.421 1.00 0.00 C ATOM 585 OG SER A 38 0.236 1.967 3.430 1.00 0.00 O ATOM 0 H SER A 38 -1.291 2.675 6.314 1.00 0.00 H new ATOM 0 HA SER A 38 0.308 4.650 4.861 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.451 3.023 3.065 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.053 3.844 2.697 1.00 0.00 H new ATOM 0 HG SER A 38 0.224 1.581 2.529 1.00 0.00 H new ATOM 591 N ASN A 39 -1.770 5.909 5.464 1.00 0.00 N ATOM 592 CA ASN A 39 -3.027 6.649 5.579 1.00 0.00 C ATOM 593 C ASN A 39 -3.935 5.786 6.476 1.00 0.00 C ATOM 594 O ASN A 39 -3.468 4.798 7.002 1.00 0.00 O ATOM 595 CB ASN A 39 -3.694 6.821 4.237 1.00 0.00 C ATOM 596 CG ASN A 39 -3.544 8.293 3.853 1.00 0.00 C ATOM 597 OD1 ASN A 39 -2.823 8.673 2.922 1.00 0.00 O ATOM 598 ND2 ASN A 39 -4.265 9.138 4.619 1.00 0.00 N ATOM 0 H ASN A 39 -0.939 6.368 5.838 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.847 7.645 5.983 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.230 6.178 3.490 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.746 6.541 4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.231 10.142 4.442 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.844 8.773 5.375 1.00 0.00 H new ATOM 605 N PHE A 40 -5.194 6.287 6.550 1.00 0.00 N ATOM 606 CA PHE A 40 -6.109 5.531 7.382 1.00 0.00 C ATOM 607 C PHE A 40 -5.480 5.462 8.776 1.00 0.00 C ATOM 608 O PHE A 40 -5.688 6.422 9.496 1.00 0.00 O ATOM 609 CB PHE A 40 -6.366 4.148 6.770 1.00 0.00 C ATOM 610 CG PHE A 40 -7.213 4.114 5.545 1.00 0.00 C ATOM 611 CD1 PHE A 40 -8.221 5.008 5.341 1.00 0.00 C ATOM 612 CD2 PHE A 40 -6.986 3.151 4.580 1.00 0.00 C ATOM 613 CE1 PHE A 40 -8.974 4.919 4.173 1.00 0.00 C ATOM 614 CE2 PHE A 40 -7.790 3.158 3.475 1.00 0.00 C ATOM 615 CZ PHE A 40 -8.691 3.937 3.264 1.00 0.00 C ATOM 0 H PHE A 40 -5.555 7.123 6.090 1.00 0.00 H new ATOM 0 HA PHE A 40 -7.087 6.006 7.452 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.403 3.695 6.533 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.835 3.521 7.528 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.432 5.773 6.073 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.201 2.419 4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -9.775 5.619 3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.605 2.403 2.725 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.272 3.857 2.357 1.00 0.00 H new ATOM 625 N ARG A 41 -4.769 4.393 9.086 1.00 0.00 N ATOM 626 CA ARG A 41 -4.085 4.112 10.302 1.00 0.00 C ATOM 627 C ARG A 41 -2.907 3.167 10.071 1.00 0.00 C ATOM 628 O ARG A 41 -2.502 3.059 8.913 1.00 0.00 O ATOM 629 CB ARG A 41 -5.041 3.259 11.186 1.00 0.00 C ATOM 630 CG ARG A 41 -6.422 3.854 11.290 1.00 0.00 C ATOM 631 CD ARG A 41 -7.454 3.235 10.301 1.00 0.00 C ATOM 632 NE ARG A 41 -8.522 4.229 10.236 1.00 0.00 N ATOM 633 CZ ARG A 41 -9.516 4.255 11.140 1.00 0.00 C ATOM 634 NH1 ARG A 41 -9.547 3.375 12.123 1.00 0.00 N ATOM 635 NH2 ARG A 41 -10.458 5.181 11.035 1.00 0.00 N ATOM 0 H ARG A 41 -4.655 3.634 8.414 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.768 5.062 10.731 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.113 2.254 10.771 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.616 3.161 12.185 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.787 3.724 12.309 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.359 4.927 11.109 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.012 3.060 9.320 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.824 2.275 10.660 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.513 4.920 9.486 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.814 2.670 12.200 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.304 3.400 12.806 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.422 5.861 10.276 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.219 5.214 11.713 1.00 0.00 H new ATOM 649 N ASN A 42 -2.451 2.547 11.164 1.00 0.00 N ATOM 650 CA ASN A 42 -1.345 1.624 10.930 1.00 0.00 C ATOM 651 C ASN A 42 -2.022 0.239 11.008 1.00 0.00 C ATOM 652 O ASN A 42 -2.301 -0.365 12.028 1.00 0.00 O ATOM 653 CB ASN A 42 -0.279 1.765 12.008 1.00 0.00 C ATOM 654 CG ASN A 42 -0.830 1.778 13.434 1.00 0.00 C ATOM 655 OD1 ASN A 42 -0.812 0.818 14.184 1.00 0.00 O ATOM 656 ND2 ASN A 42 -1.338 3.000 13.731 1.00 0.00 N ATOM 0 H ASN A 42 -2.788 2.650 12.121 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.834 1.801 9.984 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.430 0.943 11.912 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.276 2.687 11.836 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.749 3.172 14.649 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.309 3.747 13.037 1.00 0.00 H new ATOM 663 N ILE A 43 -2.249 -0.163 9.770 1.00 0.00 N ATOM 664 CA ILE A 43 -2.908 -1.441 9.555 1.00 0.00 C ATOM 665 C ILE A 43 -2.142 -2.254 8.539 1.00 0.00 C ATOM 666 O ILE A 43 -1.441 -1.905 7.605 1.00 0.00 O ATOM 667 CB ILE A 43 -4.331 -1.007 9.135 1.00 0.00 C ATOM 668 CG1 ILE A 43 -4.896 -1.673 7.908 1.00 0.00 C ATOM 669 CG2 ILE A 43 -4.308 0.476 8.674 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.353 -1.290 7.562 1.00 0.00 C ATOM 0 H ILE A 43 -1.999 0.353 8.927 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.951 -2.111 10.414 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.921 -1.251 10.019 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.261 -1.428 7.057 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.844 -2.753 8.044 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.312 0.781 8.378 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.964 1.107 9.494 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.632 0.583 7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.666 -1.822 6.664 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.007 -1.561 8.391 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.415 -0.216 7.388 1.00 0.00 H new ATOM 682 N ASP A 44 -2.354 -3.565 8.831 1.00 0.00 N ATOM 683 CA ASP A 44 -1.733 -4.556 8.014 1.00 0.00 C ATOM 684 C ASP A 44 -2.800 -5.394 7.330 1.00 0.00 C ATOM 685 O ASP A 44 -3.965 -5.204 7.662 1.00 0.00 O ATOM 686 CB ASP A 44 -0.919 -5.539 8.901 1.00 0.00 C ATOM 687 CG ASP A 44 -0.099 -4.821 9.950 1.00 0.00 C ATOM 688 OD1 ASP A 44 -0.589 -4.153 10.873 1.00 0.00 O ATOM 689 OD2 ASP A 44 1.145 -4.903 9.879 1.00 0.00 O ATOM 0 H ASP A 44 -2.929 -3.916 9.597 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.094 -4.047 7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.602 -6.234 9.390 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.258 -6.132 8.269 1.00 0.00 H new ATOM 694 N VAL A 45 -2.238 -6.212 6.465 1.00 0.00 N ATOM 695 CA VAL A 45 -3.128 -7.104 5.700 1.00 0.00 C ATOM 696 C VAL A 45 -2.668 -8.474 6.200 1.00 0.00 C ATOM 697 O VAL A 45 -1.594 -8.894 5.791 1.00 0.00 O ATOM 698 CB VAL A 45 -3.109 -6.853 4.219 1.00 0.00 C ATOM 699 CG1 VAL A 45 -3.722 -5.495 3.822 1.00 0.00 C ATOM 700 CG2 VAL A 45 -1.674 -6.775 3.655 1.00 0.00 C ATOM 0 H VAL A 45 -1.240 -6.290 6.271 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.196 -6.960 5.863 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.679 -7.692 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.676 -5.378 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.761 -5.456 4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.162 -4.690 4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.715 -6.592 2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.136 -5.962 4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.157 -7.716 3.844 1.00 0.00 H new ATOM 710 N VAL A 46 -3.482 -9.116 7.053 1.00 0.00 N ATOM 711 CA VAL A 46 -2.979 -10.398 7.479 1.00 0.00 C ATOM 712 C VAL A 46 -3.750 -11.615 6.996 1.00 0.00 C ATOM 713 O VAL A 46 -4.913 -11.470 6.638 1.00 0.00 O ATOM 714 CB VAL A 46 -3.216 -10.358 9.005 1.00 0.00 C ATOM 715 CG1 VAL A 46 -4.659 -10.536 9.454 1.00 0.00 C ATOM 716 CG2 VAL A 46 -2.543 -11.511 9.780 1.00 0.00 C ATOM 0 H VAL A 46 -4.383 -8.806 7.417 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.963 -10.513 7.102 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.816 -9.367 9.218 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.710 -10.491 10.542 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.273 -9.742 9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.030 -11.503 9.113 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.758 -11.409 10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.930 -12.465 9.421 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.465 -11.474 9.623 1.00 0.00 H new ATOM 726 N PHE A 47 -2.957 -12.706 7.056 1.00 0.00 N ATOM 727 CA PHE A 47 -3.633 -13.901 6.602 1.00 0.00 C ATOM 728 C PHE A 47 -2.800 -15.130 6.872 1.00 0.00 C ATOM 729 O PHE A 47 -2.323 -15.206 8.014 1.00 0.00 O ATOM 730 CB PHE A 47 -3.901 -13.779 5.093 1.00 0.00 C ATOM 731 CG PHE A 47 -2.690 -13.108 4.448 1.00 0.00 C ATOM 732 CD1 PHE A 47 -1.540 -13.687 4.026 1.00 0.00 C ATOM 733 CD2 PHE A 47 -2.787 -11.716 4.279 1.00 0.00 C ATOM 734 CE1 PHE A 47 -0.552 -12.899 3.467 1.00 0.00 C ATOM 735 CE2 PHE A 47 -1.773 -10.987 3.720 1.00 0.00 C ATOM 736 CZ PHE A 47 -0.647 -11.698 3.331 1.00 0.00 C ATOM 0 H PHE A 47 -1.989 -12.776 7.369 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.573 -14.003 7.145 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.069 -14.763 4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.802 -13.192 4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.397 -14.753 4.125 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.685 -11.209 4.599 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.355 -13.380 3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.845 -9.917 3.589 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.178 -11.160 2.889 1.00 0.00 H new ATOM 746 N GLU A 48 -2.607 -16.052 5.915 1.00 0.00 N ATOM 747 CA GLU A 48 -1.784 -17.159 6.356 1.00 0.00 C ATOM 748 C GLU A 48 -1.183 -18.013 5.222 1.00 0.00 C ATOM 749 O GLU A 48 -1.412 -19.196 5.132 1.00 0.00 O ATOM 750 CB GLU A 48 -2.714 -18.021 7.227 1.00 0.00 C ATOM 751 CG GLU A 48 -2.086 -18.355 8.574 1.00 0.00 C ATOM 752 CD GLU A 48 -2.668 -19.584 9.240 1.00 0.00 C ATOM 753 OE1 GLU A 48 -3.647 -20.141 8.789 1.00 0.00 O ATOM 754 OE2 GLU A 48 -2.150 -20.037 10.264 1.00 0.00 O ATOM 0 H GLU A 48 -2.960 -16.057 4.958 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.913 -16.770 6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.654 -17.493 7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.952 -18.944 6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.015 -18.502 8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.208 -17.502 9.241 1.00 0.00 H new ATOM 761 N LEU A 49 -0.420 -17.268 4.409 1.00 0.00 N ATOM 762 CA LEU A 49 0.290 -17.748 3.254 1.00 0.00 C ATOM 763 C LEU A 49 -0.336 -18.896 2.505 1.00 0.00 C ATOM 764 O LEU A 49 -0.310 -20.064 2.844 1.00 0.00 O ATOM 765 CB LEU A 49 1.697 -18.151 3.778 1.00 0.00 C ATOM 766 CG LEU A 49 2.812 -17.417 3.087 1.00 0.00 C ATOM 767 CD1 LEU A 49 3.202 -16.052 3.697 1.00 0.00 C ATOM 768 CD2 LEU A 49 4.189 -18.154 3.138 1.00 0.00 C ATOM 0 H LEU A 49 -0.286 -16.268 4.562 1.00 0.00 H new ATOM 0 HA LEU A 49 0.295 -16.952 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.750 -17.956 4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.836 -19.224 3.642 1.00 0.00 H new ATOM 0 HG LEU A 49 2.373 -17.331 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.015 -15.614 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.341 -15.384 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.526 -16.193 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.940 -17.559 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.490 -18.290 4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.099 -19.127 2.656 1.00 0.00 H new ATOM 780 N GLY A 50 -0.954 -18.519 1.401 1.00 0.00 N ATOM 781 CA GLY A 50 -1.627 -19.490 0.535 1.00 0.00 C ATOM 782 C GLY A 50 -3.002 -19.665 1.223 1.00 0.00 C ATOM 783 O GLY A 50 -3.254 -20.794 1.554 1.00 0.00 O ATOM 0 H GLY A 50 -1.008 -17.553 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.729 -19.120 -0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.079 -20.431 0.480 1.00 0.00 H new ATOM 787 N VAL A 51 -3.688 -18.532 1.340 1.00 0.00 N ATOM 788 CA VAL A 51 -4.974 -18.494 1.949 1.00 0.00 C ATOM 789 C VAL A 51 -5.821 -17.304 1.505 1.00 0.00 C ATOM 790 O VAL A 51 -5.447 -16.176 1.731 1.00 0.00 O ATOM 791 CB VAL A 51 -4.915 -18.498 3.488 1.00 0.00 C ATOM 792 CG1 VAL A 51 -6.229 -18.555 4.239 1.00 0.00 C ATOM 793 CG2 VAL A 51 -4.141 -19.733 3.995 1.00 0.00 C ATOM 0 H VAL A 51 -3.352 -17.627 1.010 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.448 -19.413 1.605 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.448 -17.534 3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.035 -18.552 5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.836 -17.688 3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.763 -19.466 3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.109 -19.720 5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.642 -20.640 3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.125 -19.712 3.602 1.00 0.00 H new ATOM 803 N ASP A 52 -6.951 -17.730 0.878 1.00 0.00 N ATOM 804 CA ASP A 52 -7.852 -16.690 0.409 1.00 0.00 C ATOM 805 C ASP A 52 -8.648 -16.171 1.634 1.00 0.00 C ATOM 806 O ASP A 52 -8.713 -16.854 2.626 1.00 0.00 O ATOM 807 CB ASP A 52 -8.786 -17.131 -0.693 1.00 0.00 C ATOM 808 CG ASP A 52 -9.982 -17.848 -0.063 1.00 0.00 C ATOM 809 OD1 ASP A 52 -9.827 -19.027 0.246 1.00 0.00 O ATOM 810 OD2 ASP A 52 -11.031 -17.243 0.113 1.00 0.00 O ATOM 0 H ASP A 52 -7.227 -18.697 0.705 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.251 -15.900 -0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.123 -16.270 -1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.268 -17.796 -1.384 1.00 0.00 H new ATOM 815 N PHE A 53 -9.159 -14.948 1.329 1.00 0.00 N ATOM 816 CA PHE A 53 -9.912 -14.428 2.444 1.00 0.00 C ATOM 817 C PHE A 53 -10.623 -13.101 2.197 1.00 0.00 C ATOM 818 O PHE A 53 -10.082 -12.328 1.400 1.00 0.00 O ATOM 819 CB PHE A 53 -8.953 -14.130 3.601 1.00 0.00 C ATOM 820 CG PHE A 53 -7.964 -13.039 3.206 1.00 0.00 C ATOM 821 CD1 PHE A 53 -6.976 -13.379 2.307 1.00 0.00 C ATOM 822 CD2 PHE A 53 -7.960 -11.749 3.651 1.00 0.00 C ATOM 823 CE1 PHE A 53 -6.059 -12.414 1.925 1.00 0.00 C ATOM 824 CE2 PHE A 53 -7.028 -10.850 3.235 1.00 0.00 C ATOM 825 CZ PHE A 53 -6.061 -11.280 2.326 1.00 0.00 C ATOM 0 H PHE A 53 -9.077 -14.401 0.472 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.658 -15.198 2.641 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.518 -13.816 4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.413 -15.036 3.877 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.918 -14.381 1.907 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.718 -11.433 4.353 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.291 -12.698 1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.036 -9.833 3.598 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.307 -10.588 1.979 1.00 0.00 H new ATOM 835 N ALA A 54 -11.762 -12.851 2.838 1.00 0.00 N ATOM 836 CA ALA A 54 -12.488 -11.585 2.632 1.00 0.00 C ATOM 837 C ALA A 54 -12.359 -10.800 3.952 1.00 0.00 C ATOM 838 O ALA A 54 -13.238 -11.002 4.772 1.00 0.00 O ATOM 839 CB ALA A 54 -13.947 -11.782 2.253 1.00 0.00 C ATOM 0 H ALA A 54 -12.203 -13.493 3.497 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.056 -11.045 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.422 -10.810 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.008 -12.350 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.458 -12.328 3.046 1.00 0.00 H new ATOM 845 N TYR A 55 -11.326 -9.984 4.063 1.00 0.00 N ATOM 846 CA TYR A 55 -11.218 -9.223 5.328 1.00 0.00 C ATOM 847 C TYR A 55 -11.787 -7.816 5.195 1.00 0.00 C ATOM 848 O TYR A 55 -11.504 -7.168 4.194 1.00 0.00 O ATOM 849 CB TYR A 55 -9.819 -9.266 5.925 1.00 0.00 C ATOM 850 CG TYR A 55 -9.607 -10.331 6.992 1.00 0.00 C ATOM 851 CD1 TYR A 55 -10.572 -10.993 7.720 1.00 0.00 C ATOM 852 CD2 TYR A 55 -8.289 -10.699 7.287 1.00 0.00 C ATOM 853 CE1 TYR A 55 -10.224 -11.953 8.672 1.00 0.00 C ATOM 854 CE2 TYR A 55 -8.077 -11.666 8.250 1.00 0.00 C ATOM 855 CZ TYR A 55 -9.107 -12.288 8.943 1.00 0.00 C ATOM 856 OH TYR A 55 -8.903 -13.237 9.893 1.00 0.00 O ATOM 0 H TYR A 55 -10.598 -9.826 3.367 1.00 0.00 H new ATOM 0 HA TYR A 55 -11.847 -9.730 6.059 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.102 -9.431 5.121 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.594 -8.291 6.357 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.614 -10.765 7.551 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.458 -10.238 6.774 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.029 -12.433 9.208 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.060 -11.952 8.475 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.941 -13.397 9.994 1.00 0.00 H new ATOM 866 N SER A 56 -12.539 -7.510 6.241 1.00 0.00 N ATOM 867 CA SER A 56 -13.124 -6.172 6.174 1.00 0.00 C ATOM 868 C SER A 56 -12.178 -5.257 6.995 1.00 0.00 C ATOM 869 O SER A 56 -12.498 -5.076 8.169 1.00 0.00 O ATOM 870 CB SER A 56 -14.513 -6.282 6.755 1.00 0.00 C ATOM 871 OG SER A 56 -14.926 -5.089 7.370 1.00 0.00 O ATOM 0 H SER A 56 -12.746 -8.086 7.057 1.00 0.00 H new ATOM 0 HA SER A 56 -13.218 -5.756 5.171 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.216 -6.544 5.964 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.537 -7.092 7.484 1.00 0.00 H new ATOM 0 HG SER A 56 -14.319 -4.875 8.109 1.00 0.00 H new ATOM 877 N LEU A 57 -11.159 -4.812 6.264 1.00 0.00 N ATOM 878 CA LEU A 57 -10.144 -3.932 6.829 1.00 0.00 C ATOM 879 C LEU A 57 -10.729 -2.541 7.080 1.00 0.00 C ATOM 880 O LEU A 57 -11.955 -2.451 6.898 1.00 0.00 O ATOM 881 CB LEU A 57 -8.879 -3.978 5.975 1.00 0.00 C ATOM 882 CG LEU A 57 -8.049 -5.251 6.202 1.00 0.00 C ATOM 883 CD1 LEU A 57 -8.434 -6.259 5.117 1.00 0.00 C ATOM 884 CD2 LEU A 57 -6.563 -5.033 6.075 1.00 0.00 C ATOM 0 H LEU A 57 -11.016 -5.047 5.282 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.829 -4.278 7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.155 -3.913 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.265 -3.106 6.198 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.258 -5.590 7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.860 -7.176 5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.498 -6.483 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.219 -5.837 4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.041 -5.974 6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.333 -4.669 5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.239 -4.298 6.812 1.00 0.00 H new ATOM 896 N ALA A 58 -9.918 -1.571 7.460 1.00 0.00 N ATOM 897 CA ALA A 58 -10.416 -0.236 7.710 1.00 0.00 C ATOM 898 C ALA A 58 -11.640 -0.266 8.616 1.00 0.00 C ATOM 899 O ALA A 58 -11.645 -1.175 9.463 1.00 0.00 O ATOM 900 CB ALA A 58 -10.896 0.372 6.387 1.00 0.00 C ATOM 0 H ALA A 58 -8.914 -1.685 7.601 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.609 0.334 8.171 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.273 1.379 6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.064 0.415 5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.692 -0.245 5.970 1.00 0.00 H new ATOM 906 N ASP A 59 -12.572 0.673 8.408 1.00 0.00 N ATOM 907 CA ASP A 59 -13.764 0.666 9.258 1.00 0.00 C ATOM 908 C ASP A 59 -14.838 -0.195 8.598 1.00 0.00 C ATOM 909 O ASP A 59 -15.870 -0.429 9.189 1.00 0.00 O ATOM 910 CB ASP A 59 -14.296 2.084 9.491 1.00 0.00 C ATOM 911 CG ASP A 59 -13.206 3.081 9.806 1.00 0.00 C ATOM 912 OD1 ASP A 59 -12.470 3.482 8.935 1.00 0.00 O ATOM 913 OD2 ASP A 59 -13.107 3.461 10.962 1.00 0.00 O ATOM 0 H ASP A 59 -12.531 1.407 7.701 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.497 0.252 10.230 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.836 2.413 8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.013 2.067 10.312 1.00 0.00 H new ATOM 918 N GLY A 60 -14.535 -0.641 7.367 1.00 0.00 N ATOM 919 CA GLY A 60 -15.450 -1.471 6.616 1.00 0.00 C ATOM 920 C GLY A 60 -14.990 -1.466 5.137 1.00 0.00 C ATOM 921 O GLY A 60 -15.795 -1.237 4.241 1.00 0.00 O ATOM 0 H GLY A 60 -13.661 -0.433 6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.456 -2.487 7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.468 -1.091 6.701 1.00 0.00 H new ATOM 925 N THR A 61 -13.692 -1.733 4.990 1.00 0.00 N ATOM 926 CA THR A 61 -13.005 -1.799 3.721 1.00 0.00 C ATOM 927 C THR A 61 -12.793 -3.274 3.337 1.00 0.00 C ATOM 928 O THR A 61 -12.087 -3.996 4.042 1.00 0.00 O ATOM 929 CB THR A 61 -11.697 -0.998 3.725 1.00 0.00 C ATOM 930 OG1 THR A 61 -11.886 0.382 3.781 1.00 0.00 O ATOM 931 CG2 THR A 61 -10.819 -1.291 2.478 1.00 0.00 C ATOM 0 H THR A 61 -13.078 -1.914 5.784 1.00 0.00 H new ATOM 0 HA THR A 61 -13.626 -1.328 2.959 1.00 0.00 H new ATOM 0 HB THR A 61 -11.195 -1.329 4.634 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.032 0.836 3.622 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.905 -0.699 2.529 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.564 -2.351 2.453 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.371 -1.029 1.575 1.00 0.00 H new ATOM 939 N GLU A 62 -13.411 -3.674 2.232 1.00 0.00 N ATOM 940 CA GLU A 62 -13.207 -5.079 1.866 1.00 0.00 C ATOM 941 C GLU A 62 -12.127 -5.164 0.806 1.00 0.00 C ATOM 942 O GLU A 62 -12.229 -4.638 -0.283 1.00 0.00 O ATOM 943 CB GLU A 62 -14.517 -5.578 1.273 1.00 0.00 C ATOM 944 CG GLU A 62 -14.837 -7.008 1.685 1.00 0.00 C ATOM 945 CD GLU A 62 -16.351 -7.193 1.456 1.00 0.00 C ATOM 946 OE1 GLU A 62 -16.744 -7.597 0.362 1.00 0.00 O ATOM 947 OE2 GLU A 62 -17.139 -6.938 2.360 1.00 0.00 O ATOM 0 H GLU A 62 -14.004 -3.112 1.621 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.911 -5.671 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.328 -4.922 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.465 -5.520 0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.264 -7.721 1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.577 -7.180 2.730 1.00 0.00 H new ATOM 954 N LEU A 63 -11.075 -5.903 1.249 1.00 0.00 N ATOM 955 CA LEU A 63 -9.976 -6.069 0.330 1.00 0.00 C ATOM 956 C LEU A 63 -9.700 -7.579 0.218 1.00 0.00 C ATOM 957 O LEU A 63 -8.624 -8.009 0.538 1.00 0.00 O ATOM 958 CB LEU A 63 -8.753 -5.268 0.768 1.00 0.00 C ATOM 959 CG LEU A 63 -8.456 -3.975 -0.023 1.00 0.00 C ATOM 960 CD1 LEU A 63 -9.215 -2.829 0.610 1.00 0.00 C ATOM 961 CD2 LEU A 63 -6.991 -3.619 0.147 1.00 0.00 C ATOM 0 H LEU A 63 -10.986 -6.350 2.162 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.229 -5.675 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.876 -5.004 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.879 -5.916 0.702 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.728 -4.130 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.013 -1.910 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.284 -3.041 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.896 -2.709 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.771 -2.707 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.775 -3.461 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.373 -4.432 -0.232 1.00 0.00 H new ATOM 973 N THR A 64 -10.760 -8.230 -0.251 1.00 0.00 N ATOM 974 CA THR A 64 -10.853 -9.641 -0.502 1.00 0.00 C ATOM 975 C THR A 64 -9.508 -9.997 -1.149 1.00 0.00 C ATOM 976 O THR A 64 -9.220 -9.489 -2.226 1.00 0.00 O ATOM 977 CB THR A 64 -11.936 -9.892 -1.567 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.165 -9.342 -1.199 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.108 -11.373 -1.758 1.00 0.00 C ATOM 0 H THR A 64 -11.627 -7.742 -0.476 1.00 0.00 H new ATOM 0 HA THR A 64 -11.082 -10.206 0.401 1.00 0.00 H new ATOM 0 HB THR A 64 -11.611 -9.414 -2.491 1.00 0.00 H new ATOM 0 HG1 THR A 64 -13.826 -9.520 -1.900 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.874 -11.556 -2.511 1.00 0.00 H new ATOM 0 HG22 THR A 64 -11.165 -11.810 -2.086 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.410 -11.829 -0.815 1.00 0.00 H new ATOM 987 N GLY A 65 -8.765 -10.859 -0.437 1.00 0.00 N ATOM 988 CA GLY A 65 -7.508 -11.122 -1.121 1.00 0.00 C ATOM 989 C GLY A 65 -7.061 -12.552 -0.793 1.00 0.00 C ATOM 990 O GLY A 65 -7.841 -13.388 -0.400 1.00 0.00 O ATOM 0 H GLY A 65 -8.964 -11.313 0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.631 -11.002 -2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.749 -10.407 -0.805 1.00 0.00 H new ATOM 994 N THR A 66 -5.744 -12.601 -1.045 1.00 0.00 N ATOM 995 CA THR A 66 -5.022 -13.844 -0.868 1.00 0.00 C ATOM 996 C THR A 66 -3.597 -13.726 -1.306 1.00 0.00 C ATOM 997 O THR A 66 -3.265 -13.234 -2.377 1.00 0.00 O ATOM 998 CB THR A 66 -5.683 -14.827 -1.876 1.00 0.00 C ATOM 999 OG1 THR A 66 -4.812 -15.900 -2.010 1.00 0.00 O ATOM 1000 CG2 THR A 66 -5.796 -14.118 -3.233 1.00 0.00 C ATOM 0 H THR A 66 -5.181 -11.812 -1.363 1.00 0.00 H new ATOM 0 HA THR A 66 -5.051 -14.145 0.179 1.00 0.00 H new ATOM 0 HB THR A 66 -6.669 -15.150 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.189 -16.551 -2.638 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.258 -14.789 -3.957 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.409 -13.223 -3.126 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.802 -13.837 -3.581 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.638 -14.170 -0.462 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.214 -14.032 -0.850 1.00 0.00 C ATOM 1010 C TRP A 67 -0.541 -15.349 -0.495 1.00 0.00 C ATOM 1011 O TRP A 67 -0.542 -15.789 0.625 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.657 -12.865 -0.040 1.00 0.00 C ATOM 1013 CG TRP A 67 -1.764 -11.816 -0.288 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -2.853 -11.620 0.542 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -1.783 -10.952 -1.436 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -3.478 -10.683 -0.121 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -2.946 -10.213 -1.301 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -1.002 -10.724 -2.517 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -3.248 -9.302 -2.267 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -1.303 -9.807 -3.489 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -2.474 -9.067 -3.356 1.00 0.00 C ATOM 0 H TRP A 67 -2.808 -14.605 0.445 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.056 -13.831 -1.910 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.542 -13.108 1.016 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.318 -12.536 -0.399 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.113 -12.103 1.472 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -4.355 -10.302 0.234 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -0.092 -11.296 -2.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -4.159 -8.732 -2.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -0.649 -9.662 -4.336 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.757 -8.331 -4.094 1.00 0.00 H new ATOM 1032 N THR A 68 -0.026 -15.847 -1.629 1.00 0.00 N ATOM 1033 CA THR A 68 0.657 -17.095 -1.732 1.00 0.00 C ATOM 1034 C THR A 68 2.189 -17.052 -1.726 1.00 0.00 C ATOM 1035 O THR A 68 2.722 -18.027 -2.232 1.00 0.00 O ATOM 1036 CB THR A 68 0.239 -17.852 -2.992 1.00 0.00 C ATOM 1037 OG1 THR A 68 0.811 -17.377 -4.186 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.279 -17.924 -3.224 1.00 0.00 C ATOM 0 H THR A 68 -0.089 -15.354 -2.520 1.00 0.00 H new ATOM 0 HA THR A 68 0.353 -17.596 -0.813 1.00 0.00 H new ATOM 0 HB THR A 68 0.627 -18.846 -2.770 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.492 -17.917 -4.939 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.481 -18.479 -4.140 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.752 -18.429 -2.382 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.681 -16.915 -3.315 1.00 0.00 H new ATOM 1046 N MET A 69 2.585 -15.937 -1.156 1.00 0.00 N ATOM 1047 CA MET A 69 3.956 -15.507 -0.947 1.00 0.00 C ATOM 1048 C MET A 69 4.875 -16.518 -1.594 1.00 0.00 C ATOM 1049 O MET A 69 5.315 -17.461 -0.975 1.00 0.00 O ATOM 1050 CB MET A 69 4.190 -15.500 0.595 1.00 0.00 C ATOM 1051 CG MET A 69 5.018 -14.302 1.056 1.00 0.00 C ATOM 1052 SD MET A 69 6.599 -14.823 1.711 1.00 0.00 S ATOM 1053 CE MET A 69 7.553 -13.351 1.273 1.00 0.00 C ATOM 0 H MET A 69 1.914 -15.257 -0.800 1.00 0.00 H new ATOM 0 HA MET A 69 4.147 -14.523 -1.374 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.227 -15.490 1.105 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.695 -16.421 0.887 1.00 0.00 H new ATOM 0 HG2 MET A 69 5.174 -13.621 0.219 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.470 -13.749 1.819 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.518 -13.379 1.780 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.710 -13.327 0.195 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.007 -12.459 1.580 1.00 0.00 H new ATOM 1063 N GLU A 70 5.089 -16.200 -2.884 1.00 0.00 N ATOM 1064 CA GLU A 70 5.953 -17.115 -3.621 1.00 0.00 C ATOM 1065 C GLU A 70 7.378 -16.645 -3.632 1.00 0.00 C ATOM 1066 O GLU A 70 7.775 -15.845 -4.459 1.00 0.00 O ATOM 1067 CB GLU A 70 5.444 -17.205 -5.081 1.00 0.00 C ATOM 1068 CG GLU A 70 6.206 -18.183 -5.925 1.00 0.00 C ATOM 1069 CD GLU A 70 5.933 -19.632 -5.505 1.00 0.00 C ATOM 1070 OE1 GLU A 70 5.931 -20.016 -4.333 1.00 0.00 O ATOM 1071 OE2 GLU A 70 5.699 -20.435 -6.438 1.00 0.00 O ATOM 0 H GLU A 70 4.715 -15.398 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 70 5.921 -18.088 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.391 -17.488 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.505 -16.218 -5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.932 -18.050 -6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.273 -17.977 -5.846 1.00 0.00 H new ATOM 1078 N GLY A 71 8.056 -17.247 -2.630 1.00 0.00 N ATOM 1079 CA GLY A 71 9.446 -16.925 -2.477 1.00 0.00 C ATOM 1080 C GLY A 71 9.494 -15.404 -2.237 1.00 0.00 C ATOM 1081 O GLY A 71 9.220 -14.891 -1.144 1.00 0.00 O ATOM 0 H GLY A 71 7.671 -17.916 -1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.884 -17.468 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.012 -17.200 -3.367 1.00 0.00 H new ATOM 1085 N ASN A 72 9.858 -14.718 -3.327 1.00 0.00 N ATOM 1086 CA ASN A 72 9.935 -13.282 -3.240 1.00 0.00 C ATOM 1087 C ASN A 72 8.999 -12.569 -4.222 1.00 0.00 C ATOM 1088 O ASN A 72 9.534 -11.738 -4.946 1.00 0.00 O ATOM 1089 CB ASN A 72 11.425 -12.924 -3.435 1.00 0.00 C ATOM 1090 CG ASN A 72 12.188 -13.705 -2.368 1.00 0.00 C ATOM 1091 OD1 ASN A 72 11.804 -13.644 -1.200 1.00 0.00 O ATOM 1092 ND2 ASN A 72 13.243 -14.413 -2.800 1.00 0.00 N ATOM 0 H ASN A 72 10.091 -15.123 -4.233 1.00 0.00 H new ATOM 0 HA ASN A 72 9.583 -12.931 -2.270 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.764 -13.196 -4.435 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.587 -11.852 -3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.797 -14.958 -2.139 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.491 -14.407 -3.789 1.00 0.00 H new ATOM 1099 N LYS A 73 7.720 -12.970 -4.137 1.00 0.00 N ATOM 1100 CA LYS A 73 6.737 -12.361 -5.027 1.00 0.00 C ATOM 1101 C LYS A 73 5.474 -12.026 -4.228 1.00 0.00 C ATOM 1102 O LYS A 73 5.419 -12.451 -3.081 1.00 0.00 O ATOM 1103 CB LYS A 73 6.436 -13.171 -6.278 1.00 0.00 C ATOM 1104 CG LYS A 73 7.581 -13.604 -7.190 1.00 0.00 C ATOM 1105 CD LYS A 73 7.118 -13.601 -8.642 1.00 0.00 C ATOM 1106 CE LYS A 73 7.623 -12.337 -9.338 1.00 0.00 C ATOM 1107 NZ LYS A 73 7.703 -12.562 -10.774 1.00 0.00 N ATOM 0 H LYS A 73 7.362 -13.676 -3.494 1.00 0.00 H new ATOM 0 HA LYS A 73 7.176 -11.442 -5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.910 -14.073 -5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.739 -12.590 -6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.429 -12.930 -7.068 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.923 -14.600 -6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.493 -14.486 -9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.030 -13.643 -8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.953 -11.503 -9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.604 -12.064 -8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.982 -11.680 -11.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.410 -13.299 -10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.775 -12.868 -11.130 1.00 0.00 H new ATOM 1121 N LEU A 74 4.568 -11.309 -4.873 1.00 0.00 N ATOM 1122 CA LEU A 74 3.353 -10.956 -4.173 1.00 0.00 C ATOM 1123 C LEU A 74 2.150 -11.008 -5.079 1.00 0.00 C ATOM 1124 O LEU A 74 1.362 -10.101 -5.271 1.00 0.00 O ATOM 1125 CB LEU A 74 3.481 -9.618 -3.442 1.00 0.00 C ATOM 1126 CG LEU A 74 3.735 -9.935 -1.954 1.00 0.00 C ATOM 1127 CD1 LEU A 74 4.229 -8.806 -1.069 1.00 0.00 C ATOM 1128 CD2 LEU A 74 2.547 -10.598 -1.205 1.00 0.00 C ATOM 0 H LEU A 74 4.645 -10.975 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 74 3.194 -11.711 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.300 -9.030 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.573 -9.026 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 74 4.553 -10.643 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.363 -9.173 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.181 -8.435 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.498 -7.997 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.827 -10.780 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.682 -9.936 -1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.297 -11.544 -1.684 1.00 0.00 H new ATOM 1140 N VAL A 75 2.081 -12.230 -5.657 1.00 0.00 N ATOM 1141 CA VAL A 75 1.026 -12.577 -6.578 1.00 0.00 C ATOM 1142 C VAL A 75 -0.233 -12.987 -5.799 1.00 0.00 C ATOM 1143 O VAL A 75 -0.366 -14.084 -5.275 1.00 0.00 O ATOM 1144 CB VAL A 75 1.563 -13.608 -7.550 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.772 -13.845 -8.819 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.903 -13.060 -8.137 1.00 0.00 C ATOM 0 H VAL A 75 2.754 -12.978 -5.488 1.00 0.00 H new ATOM 0 HA VAL A 75 0.707 -11.728 -7.183 1.00 0.00 H new ATOM 0 HB VAL A 75 1.583 -14.520 -6.953 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.269 -14.606 -9.421 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.232 -14.183 -8.564 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.709 -12.917 -9.387 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.314 -13.783 -8.842 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.716 -12.117 -8.651 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.615 -12.897 -7.328 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.100 -11.988 -5.800 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.380 -12.196 -5.093 1.00 0.00 C ATOM 1158 C GLY A 76 -3.212 -10.953 -5.483 1.00 0.00 C ATOM 1159 O GLY A 76 -2.874 -10.324 -6.447 1.00 0.00 O ATOM 0 H GLY A 76 -0.970 -11.080 -6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.867 -13.120 -5.407 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.237 -12.261 -4.014 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.267 -10.736 -4.639 1.00 0.00 N ATOM 1164 CA LYS A 77 -5.072 -9.591 -4.979 1.00 0.00 C ATOM 1165 C LYS A 77 -5.849 -9.032 -3.819 1.00 0.00 C ATOM 1166 O LYS A 77 -6.010 -9.686 -2.818 1.00 0.00 O ATOM 1167 CB LYS A 77 -6.083 -10.211 -5.991 1.00 0.00 C ATOM 1168 CG LYS A 77 -7.509 -9.924 -5.627 1.00 0.00 C ATOM 1169 CD LYS A 77 -8.499 -10.880 -6.296 1.00 0.00 C ATOM 1170 CE LYS A 77 -8.190 -12.322 -5.834 1.00 0.00 C ATOM 1171 NZ LYS A 77 -9.341 -13.217 -5.766 1.00 0.00 N ATOM 0 H LYS A 77 -4.535 -11.282 -3.820 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.461 -8.764 -5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.880 -9.820 -6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.933 -11.290 -6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.623 -9.990 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.752 -8.900 -5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.521 -10.610 -6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.420 -10.806 -7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.455 -12.754 -6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.726 -12.278 -4.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.031 -14.157 -5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.038 -12.836 -5.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.775 -13.296 -6.708 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.338 -7.806 -4.063 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.181 -7.077 -3.133 1.00 0.00 C ATOM 1187 C PHE A 78 -8.110 -6.327 -4.096 1.00 0.00 C ATOM 1188 O PHE A 78 -7.806 -6.032 -5.232 1.00 0.00 O ATOM 1189 CB PHE A 78 -6.413 -6.160 -2.239 1.00 0.00 C ATOM 1190 CG PHE A 78 -5.193 -6.635 -1.519 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -5.468 -7.524 -0.459 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -3.872 -6.362 -1.712 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -4.462 -8.054 0.281 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -2.893 -6.941 -0.919 1.00 0.00 C ATOM 1195 CZ PHE A 78 -3.152 -7.721 -0.018 1.00 0.00 C ATOM 0 H PHE A 78 -6.150 -7.296 -4.926 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.702 -7.716 -2.420 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.115 -5.302 -2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.108 -5.794 -1.483 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.491 -7.786 -0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.582 -5.681 -2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.681 -8.729 1.095 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.859 -6.691 -1.107 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.348 -8.158 0.555 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.280 -6.057 -3.497 1.00 0.00 N ATOM 1206 CA LYS A 79 -10.281 -5.359 -4.264 1.00 0.00 C ATOM 1207 C LYS A 79 -11.510 -4.889 -3.517 1.00 0.00 C ATOM 1208 O LYS A 79 -12.096 -5.676 -2.798 1.00 0.00 O ATOM 1209 CB LYS A 79 -10.699 -6.513 -5.235 1.00 0.00 C ATOM 1210 CG LYS A 79 -11.478 -6.101 -6.449 1.00 0.00 C ATOM 1211 CD LYS A 79 -12.851 -5.447 -6.166 1.00 0.00 C ATOM 1212 CE LYS A 79 -13.679 -5.246 -7.441 1.00 0.00 C ATOM 1213 NZ LYS A 79 -14.904 -6.032 -7.461 1.00 0.00 N ATOM 0 H LYS A 79 -9.533 -6.301 -2.539 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.889 -4.430 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.797 -7.029 -5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.293 -7.235 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.874 -5.402 -7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.635 -6.980 -7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.410 -6.070 -5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.698 -4.483 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.931 -4.190 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.071 -5.511 -8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.138 -6.285 -8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.769 -6.899 -6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.681 -5.474 -7.052 1.00 0.00 H new ATOM 1227 N ARG A 80 -11.789 -3.600 -3.776 1.00 0.00 N ATOM 1228 CA ARG A 80 -12.945 -3.048 -3.120 1.00 0.00 C ATOM 1229 C ARG A 80 -14.215 -3.452 -3.912 1.00 0.00 C ATOM 1230 O ARG A 80 -14.460 -2.810 -4.915 1.00 0.00 O ATOM 1231 CB ARG A 80 -12.831 -1.548 -2.899 1.00 0.00 C ATOM 1232 CG ARG A 80 -11.835 -1.291 -1.770 1.00 0.00 C ATOM 1233 CD ARG A 80 -11.787 0.201 -1.466 1.00 0.00 C ATOM 1234 NE ARG A 80 -10.649 0.504 -0.614 1.00 0.00 N ATOM 1235 CZ ARG A 80 -10.192 1.725 -0.378 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -10.830 2.750 -0.971 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -9.137 1.996 0.406 1.00 0.00 N ATOM 0 H ARG A 80 -11.265 -2.976 -4.389 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.017 -3.467 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.500 -1.056 -3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.805 -1.129 -2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.128 -1.846 -0.879 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -10.845 -1.647 -2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.716 0.767 -2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -12.710 0.509 -0.975 1.00 0.00 H new ATOM 0 HE ARG A 80 -10.169 -0.277 -0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -11.632 2.571 -1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.512 3.707 -0.817 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -8.633 1.236 0.864 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.839 2.962 0.544 1.00 0.00 H new ATOM 1251 N VAL A 81 -14.834 -4.471 -3.334 1.00 0.00 N ATOM 1252 CA VAL A 81 -16.051 -5.001 -3.915 1.00 0.00 C ATOM 1253 C VAL A 81 -17.071 -3.845 -4.076 1.00 0.00 C ATOM 1254 O VAL A 81 -17.913 -3.954 -4.965 1.00 0.00 O ATOM 1255 CB VAL A 81 -16.619 -6.107 -3.059 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -17.398 -5.616 -1.833 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -17.595 -7.055 -3.819 1.00 0.00 C ATOM 0 H VAL A 81 -14.520 -4.936 -2.482 1.00 0.00 H new ATOM 0 HA VAL A 81 -15.831 -5.430 -4.893 1.00 0.00 H new ATOM 0 HB VAL A 81 -15.716 -6.637 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.772 -6.473 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -16.740 -5.025 -1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.237 -5.000 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.961 -7.823 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.437 -6.479 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -17.071 -7.527 -4.650 1.00 0.00 H new ATOM 1267 N ASP A 82 -16.840 -2.898 -3.182 1.00 0.00 N ATOM 1268 CA ASP A 82 -17.592 -1.676 -3.036 1.00 0.00 C ATOM 1269 C ASP A 82 -17.591 -0.888 -4.346 1.00 0.00 C ATOM 1270 O ASP A 82 -18.679 -0.346 -4.610 1.00 0.00 O ATOM 1271 CB ASP A 82 -16.961 -0.780 -1.946 1.00 0.00 C ATOM 1272 CG ASP A 82 -17.892 0.375 -1.655 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -19.092 0.304 -1.932 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -17.438 1.372 -1.139 1.00 0.00 O ATOM 0 H ASP A 82 -16.080 -2.971 -2.505 1.00 0.00 H new ATOM 0 HA ASP A 82 -18.611 -1.947 -2.759 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.785 -1.359 -1.039 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.993 -0.407 -2.280 1.00 0.00 H new ATOM 1279 N ASN A 83 -16.453 -0.847 -5.074 1.00 0.00 N ATOM 1280 CA ASN A 83 -16.528 -0.087 -6.298 1.00 0.00 C ATOM 1281 C ASN A 83 -16.115 -0.789 -7.569 1.00 0.00 C ATOM 1282 O ASN A 83 -16.228 -0.146 -8.615 1.00 0.00 O ATOM 1283 CB ASN A 83 -15.556 1.117 -6.087 1.00 0.00 C ATOM 1284 CG ASN A 83 -15.834 1.849 -4.787 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -16.949 2.204 -4.424 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -14.739 2.084 -4.049 1.00 0.00 N ATOM 0 H ASN A 83 -15.562 -1.291 -4.851 1.00 0.00 H new ATOM 0 HA ASN A 83 -17.579 0.158 -6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -14.527 0.757 -6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -15.652 1.811 -6.922 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.820 2.572 -3.157 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -13.825 1.775 -4.380 1.00 0.00 H new ATOM 1293 N GLY A 84 -15.662 -2.045 -7.465 1.00 0.00 N ATOM 1294 CA GLY A 84 -15.296 -2.617 -8.776 1.00 0.00 C ATOM 1295 C GLY A 84 -13.930 -1.955 -9.041 1.00 0.00 C ATOM 1296 O GLY A 84 -13.610 -1.593 -10.139 1.00 0.00 O ATOM 0 H GLY A 84 -15.549 -2.617 -6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -15.223 -3.704 -8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.026 -2.371 -9.547 1.00 0.00 H new ATOM 1300 N LYS A 85 -13.300 -1.908 -7.830 1.00 0.00 N ATOM 1301 CA LYS A 85 -12.007 -1.337 -7.658 1.00 0.00 C ATOM 1302 C LYS A 85 -10.774 -2.113 -7.991 1.00 0.00 C ATOM 1303 O LYS A 85 -10.205 -1.693 -9.025 1.00 0.00 O ATOM 1304 CB LYS A 85 -11.935 -1.125 -6.106 1.00 0.00 C ATOM 1305 CG LYS A 85 -10.548 -0.670 -5.697 1.00 0.00 C ATOM 1306 CD LYS A 85 -10.286 0.668 -6.409 1.00 0.00 C ATOM 1307 CE LYS A 85 -9.657 1.712 -5.526 1.00 0.00 C ATOM 1308 NZ LYS A 85 -8.298 1.248 -5.199 1.00 0.00 N ATOM 0 H LYS A 85 -13.708 -2.275 -6.970 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.967 -0.496 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.673 -0.383 -5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.185 -2.054 -5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.485 -0.550 -4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.800 -1.411 -5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.637 0.492 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.229 1.053 -6.797 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.622 2.675 -6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.244 1.852 -4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.745 2.039 -4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.352 0.484 -4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.836 0.893 -6.060 1.00 0.00 H new ATOM 1322 N GLU A 86 -10.423 -3.125 -7.180 1.00 0.00 N ATOM 1323 CA GLU A 86 -9.218 -3.815 -7.517 1.00 0.00 C ATOM 1324 C GLU A 86 -7.923 -3.000 -7.195 1.00 0.00 C ATOM 1325 O GLU A 86 -7.717 -2.048 -7.924 1.00 0.00 O ATOM 1326 CB GLU A 86 -9.110 -4.306 -8.957 1.00 0.00 C ATOM 1327 CG GLU A 86 -10.292 -5.116 -9.494 1.00 0.00 C ATOM 1328 CD GLU A 86 -10.089 -6.610 -9.355 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -9.006 -7.158 -9.194 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -11.130 -7.256 -9.410 1.00 0.00 O ATOM 0 H GLU A 86 -10.926 -3.448 -6.354 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.289 -4.691 -6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.969 -3.439 -9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.211 -4.917 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.198 -4.826 -8.962 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.447 -4.871 -10.545 1.00 0.00 H new ATOM 1337 N LEU A 87 -7.259 -3.489 -6.167 1.00 0.00 N ATOM 1338 CA LEU A 87 -6.014 -2.875 -5.714 1.00 0.00 C ATOM 1339 C LEU A 87 -5.010 -3.953 -5.337 1.00 0.00 C ATOM 1340 O LEU A 87 -4.400 -3.955 -4.306 1.00 0.00 O ATOM 1341 CB LEU A 87 -6.199 -1.787 -4.647 1.00 0.00 C ATOM 1342 CG LEU A 87 -6.688 -2.321 -3.286 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -6.455 -1.264 -2.193 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -8.192 -2.614 -3.276 1.00 0.00 C ATOM 0 H LEU A 87 -7.553 -4.304 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.599 -2.317 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.251 -1.269 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.913 -1.050 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.129 -3.239 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.803 -1.649 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.391 -1.036 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.006 -0.357 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.483 -2.987 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.742 -1.699 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.422 -3.365 -4.032 1.00 0.00 H new ATOM 1356 N ILE A 88 -4.962 -4.832 -6.334 1.00 0.00 N ATOM 1357 CA ILE A 88 -4.081 -5.991 -6.255 1.00 0.00 C ATOM 1358 C ILE A 88 -2.688 -5.311 -6.172 1.00 0.00 C ATOM 1359 O ILE A 88 -2.582 -4.361 -6.904 1.00 0.00 O ATOM 1360 CB ILE A 88 -4.218 -6.717 -7.589 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.651 -7.178 -7.866 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -3.314 -7.912 -7.819 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -5.769 -8.045 -9.133 1.00 0.00 C ATOM 0 H ILE A 88 -5.512 -4.766 -7.191 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.270 -6.693 -5.443 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.900 -5.936 -8.279 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.017 -7.744 -7.009 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.295 -6.304 -7.969 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.513 -8.335 -8.804 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.272 -7.596 -7.764 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.506 -8.666 -7.055 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.808 -8.341 -9.276 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.432 -7.473 -9.998 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.150 -8.936 -9.023 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.891 -5.915 -5.319 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.516 -5.468 -5.075 1.00 0.00 C ATOM 1377 C ALA A 89 0.326 -6.518 -5.794 1.00 0.00 C ATOM 1378 O ALA A 89 0.529 -7.541 -5.201 1.00 0.00 O ATOM 1379 CB ALA A 89 -0.200 -5.360 -3.574 1.00 0.00 C ATOM 0 H ALA A 89 -2.166 -6.729 -4.770 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.319 -4.462 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.829 -5.026 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.877 -4.642 -3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.328 -6.335 -3.104 1.00 0.00 H new ATOM 1385 N VAL A 90 0.728 -6.165 -6.998 1.00 0.00 N ATOM 1386 CA VAL A 90 1.507 -7.095 -7.731 1.00 0.00 C ATOM 1387 C VAL A 90 2.994 -6.807 -7.551 1.00 0.00 C ATOM 1388 O VAL A 90 3.500 -5.757 -7.960 1.00 0.00 O ATOM 1389 CB VAL A 90 1.283 -6.933 -9.242 1.00 0.00 C ATOM 1390 CG1 VAL A 90 2.516 -7.448 -9.988 1.00 0.00 C ATOM 1391 CG2 VAL A 90 0.102 -7.686 -9.799 1.00 0.00 C ATOM 0 H VAL A 90 0.531 -5.277 -7.460 1.00 0.00 H new ATOM 0 HA VAL A 90 1.217 -8.081 -7.369 1.00 0.00 H new ATOM 0 HB VAL A 90 1.093 -5.869 -9.385 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.365 -7.336 -11.062 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.391 -6.874 -9.683 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.671 -8.501 -9.751 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.029 -7.507 -10.872 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.232 -8.753 -9.617 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.811 -7.343 -9.311 1.00 0.00 H new ATOM 1401 N ARG A 91 3.715 -7.771 -6.921 1.00 0.00 N ATOM 1402 CA ARG A 91 5.098 -7.435 -6.789 1.00 0.00 C ATOM 1403 C ARG A 91 6.027 -8.579 -6.458 1.00 0.00 C ATOM 1404 O ARG A 91 5.613 -9.694 -6.539 1.00 0.00 O ATOM 1405 CB ARG A 91 5.345 -6.350 -5.734 1.00 0.00 C ATOM 1406 CG ARG A 91 6.411 -5.324 -6.055 1.00 0.00 C ATOM 1407 CD ARG A 91 7.086 -5.333 -7.432 1.00 0.00 C ATOM 1408 NE ARG A 91 6.259 -4.690 -8.438 1.00 0.00 N ATOM 1409 CZ ARG A 91 6.741 -4.350 -9.621 1.00 0.00 C ATOM 1410 NH1 ARG A 91 8.013 -4.568 -9.976 1.00 0.00 N ATOM 1411 NH2 ARG A 91 5.983 -3.756 -10.547 1.00 0.00 N ATOM 0 H ARG A 91 3.392 -8.665 -6.550 1.00 0.00 H new ATOM 0 HA ARG A 91 5.334 -7.084 -7.794 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.407 -5.824 -5.560 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.614 -6.840 -4.798 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.966 -4.339 -5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.197 -5.426 -5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.047 -4.822 -7.370 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.290 -6.361 -7.731 1.00 0.00 H new ATOM 0 HE ARG A 91 5.280 -4.496 -8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.656 -5.014 -9.322 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.340 -4.288 -10.901 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.003 -3.553 -10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.384 -3.506 -11.451 1.00 0.00 H new ATOM 1425 N GLU A 92 7.242 -8.125 -6.115 1.00 0.00 N ATOM 1426 CA GLU A 92 8.271 -9.093 -5.773 1.00 0.00 C ATOM 1427 C GLU A 92 9.513 -8.271 -5.358 1.00 0.00 C ATOM 1428 O GLU A 92 10.016 -7.669 -6.308 1.00 0.00 O ATOM 1429 CB GLU A 92 8.534 -9.782 -7.100 1.00 0.00 C ATOM 1430 CG GLU A 92 8.079 -9.030 -8.393 1.00 0.00 C ATOM 1431 CD GLU A 92 8.968 -9.492 -9.529 1.00 0.00 C ATOM 1432 OE1 GLU A 92 10.175 -9.602 -9.377 1.00 0.00 O ATOM 1433 OE2 GLU A 92 8.444 -9.759 -10.629 1.00 0.00 O ATOM 0 H GLU A 92 7.519 -7.144 -6.070 1.00 0.00 H new ATOM 0 HA GLU A 92 8.017 -9.795 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.605 -9.971 -7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.039 -10.753 -7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.033 -9.245 -8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.161 -7.952 -8.257 1.00 0.00 H new ATOM 1440 N ILE A 93 9.807 -8.349 -4.079 1.00 0.00 N ATOM 1441 CA ILE A 93 10.950 -7.629 -3.526 1.00 0.00 C ATOM 1442 C ILE A 93 12.117 -7.510 -4.500 1.00 0.00 C ATOM 1443 O ILE A 93 12.909 -8.443 -4.651 1.00 0.00 O ATOM 1444 CB ILE A 93 11.286 -8.215 -2.153 1.00 0.00 C ATOM 1445 CG1 ILE A 93 12.687 -7.673 -1.750 1.00 0.00 C ATOM 1446 CG2 ILE A 93 11.373 -9.718 -2.143 1.00 0.00 C ATOM 1447 CD1 ILE A 93 12.658 -6.156 -1.598 1.00 0.00 C ATOM 0 H ILE A 93 9.279 -8.898 -3.400 1.00 0.00 H new ATOM 0 HA ILE A 93 10.685 -6.583 -3.368 1.00 0.00 H new ATOM 0 HB ILE A 93 10.487 -7.926 -1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.003 -8.131 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.421 -7.953 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.614 -10.062 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.416 -10.140 -2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.151 -10.042 -2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 93 13.649 -5.800 -1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 93 12.365 -5.701 -2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.940 -5.881 -0.825 1.00 0.00 H new ATOM 1459 N SER A 94 12.156 -6.326 -5.133 1.00 0.00 N ATOM 1460 CA SER A 94 13.237 -6.144 -6.082 1.00 0.00 C ATOM 1461 C SER A 94 14.543 -5.692 -5.483 1.00 0.00 C ATOM 1462 O SER A 94 14.951 -4.540 -5.582 1.00 0.00 O ATOM 1463 CB SER A 94 12.733 -5.140 -7.148 1.00 0.00 C ATOM 1464 OG SER A 94 12.841 -3.792 -6.797 1.00 0.00 O ATOM 0 H SER A 94 11.507 -5.548 -5.014 1.00 0.00 H new ATOM 0 HA SER A 94 13.478 -7.116 -6.512 1.00 0.00 H new ATOM 0 HB2 SER A 94 13.291 -5.304 -8.070 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.687 -5.359 -7.364 1.00 0.00 H new ATOM 0 HG SER A 94 13.728 -3.623 -6.416 1.00 0.00 H new ATOM 1470 N GLY A 95 15.204 -6.646 -4.836 1.00 0.00 N ATOM 1471 CA GLY A 95 16.480 -6.345 -4.208 1.00 0.00 C ATOM 1472 C GLY A 95 16.170 -6.553 -2.690 1.00 0.00 C ATOM 1473 O GLY A 95 15.739 -7.583 -2.243 1.00 0.00 O ATOM 0 H GLY A 95 14.886 -7.610 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.270 -7.011 -4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.806 -5.327 -4.419 1.00 0.00 H new ATOM 1477 N ASN A 96 16.470 -5.408 -2.041 1.00 0.00 N ATOM 1478 CA ASN A 96 16.285 -5.304 -0.620 1.00 0.00 C ATOM 1479 C ASN A 96 15.496 -3.991 -0.385 1.00 0.00 C ATOM 1480 O ASN A 96 15.870 -3.257 0.526 1.00 0.00 O ATOM 1481 CB ASN A 96 17.649 -5.277 0.070 1.00 0.00 C ATOM 1482 CG ASN A 96 18.279 -6.641 -0.185 1.00 0.00 C ATOM 1483 OD1 ASN A 96 19.249 -6.815 -0.914 1.00 0.00 O ATOM 1484 ND2 ASN A 96 17.626 -7.599 0.500 1.00 0.00 N ATOM 0 H ASN A 96 16.834 -4.568 -2.490 1.00 0.00 H new ATOM 0 HA ASN A 96 15.738 -6.151 -0.207 1.00 0.00 H new ATOM 0 HB2 ASN A 96 18.273 -4.478 -0.331 1.00 0.00 H new ATOM 0 HB3 ASN A 96 17.542 -5.091 1.139 1.00 0.00 H new ATOM 0 HD21 ASN A 96 17.932 -8.570 0.436 1.00 0.00 H new ATOM 0 HD22 ASN A 96 16.826 -7.354 1.083 1.00 0.00 H new ATOM 1491 N GLU A 97 14.490 -3.854 -1.246 1.00 0.00 N ATOM 1492 CA GLU A 97 13.643 -2.701 -1.178 1.00 0.00 C ATOM 1493 C GLU A 97 12.461 -2.885 -2.184 1.00 0.00 C ATOM 1494 O GLU A 97 12.631 -2.626 -3.355 1.00 0.00 O ATOM 1495 CB GLU A 97 14.326 -1.351 -1.238 1.00 0.00 C ATOM 1496 CG GLU A 97 15.621 -1.362 -2.049 1.00 0.00 C ATOM 1497 CD GLU A 97 15.494 -2.128 -3.353 1.00 0.00 C ATOM 1498 OE1 GLU A 97 15.094 -1.510 -4.334 1.00 0.00 O ATOM 1499 OE2 GLU A 97 15.798 -3.307 -3.355 1.00 0.00 O ATOM 0 H GLU A 97 14.257 -4.522 -1.981 1.00 0.00 H new ATOM 0 HA GLU A 97 13.246 -2.658 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.640 -0.624 -1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.544 -1.017 -0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.918 -0.336 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.416 -1.805 -1.449 1.00 0.00 H new ATOM 1506 N LEU A 98 11.370 -3.334 -1.543 1.00 0.00 N ATOM 1507 CA LEU A 98 10.114 -3.618 -2.152 1.00 0.00 C ATOM 1508 C LEU A 98 9.299 -2.386 -2.577 1.00 0.00 C ATOM 1509 O LEU A 98 9.325 -1.329 -2.011 1.00 0.00 O ATOM 1510 CB LEU A 98 9.312 -4.431 -1.094 1.00 0.00 C ATOM 1511 CG LEU A 98 8.095 -5.136 -1.687 1.00 0.00 C ATOM 1512 CD1 LEU A 98 8.006 -6.550 -1.150 1.00 0.00 C ATOM 1513 CD2 LEU A 98 6.826 -4.465 -1.125 1.00 0.00 C ATOM 0 H LEU A 98 11.367 -3.509 -0.538 1.00 0.00 H new ATOM 0 HA LEU A 98 10.297 -4.154 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.969 -5.172 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.986 -3.761 -0.298 1.00 0.00 H new ATOM 0 HG LEU A 98 8.178 -5.101 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.135 -7.047 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.907 -7.100 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.911 -6.522 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.943 -4.954 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.818 -4.555 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.819 -3.411 -1.402 1.00 0.00 H new ATOM 1525 N ILE A 99 8.589 -2.757 -3.671 1.00 0.00 N ATOM 1526 CA ILE A 99 7.694 -1.923 -4.396 1.00 0.00 C ATOM 1527 C ILE A 99 6.330 -2.632 -4.232 1.00 0.00 C ATOM 1528 O ILE A 99 6.445 -3.748 -3.788 1.00 0.00 O ATOM 1529 CB ILE A 99 8.188 -1.965 -5.870 1.00 0.00 C ATOM 1530 CG1 ILE A 99 9.608 -1.369 -5.913 1.00 0.00 C ATOM 1531 CG2 ILE A 99 7.325 -1.038 -6.708 1.00 0.00 C ATOM 1532 CD1 ILE A 99 10.373 -1.751 -7.164 1.00 0.00 C ATOM 0 H ILE A 99 8.652 -3.697 -4.062 1.00 0.00 H new ATOM 0 HA ILE A 99 7.631 -0.883 -4.074 1.00 0.00 H new ATOM 0 HB ILE A 99 8.152 -2.990 -6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.542 -0.283 -5.852 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.164 -1.705 -5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.665 -1.062 -7.743 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.286 -1.365 -6.659 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.404 -0.021 -6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 99 11.365 -1.301 -7.135 1.00 0.00 H new ATOM 0 HD12 ILE A 99 10.468 -2.836 -7.215 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.837 -1.392 -8.042 1.00 0.00 H new ATOM 1544 N GLN A 100 5.255 -1.941 -4.588 1.00 0.00 N ATOM 1545 CA GLN A 100 3.940 -2.592 -4.450 1.00 0.00 C ATOM 1546 C GLN A 100 3.007 -1.720 -5.297 1.00 0.00 C ATOM 1547 O GLN A 100 2.538 -0.690 -4.885 1.00 0.00 O ATOM 1548 CB GLN A 100 3.543 -2.762 -3.005 1.00 0.00 C ATOM 1549 CG GLN A 100 4.260 -1.906 -1.955 1.00 0.00 C ATOM 1550 CD GLN A 100 3.290 -0.750 -1.561 1.00 0.00 C ATOM 1551 OE1 GLN A 100 2.329 -0.952 -0.820 1.00 0.00 O ATOM 1552 NE2 GLN A 100 3.673 0.402 -2.140 1.00 0.00 N ATOM 0 H GLN A 100 5.250 -0.989 -4.953 1.00 0.00 H new ATOM 0 HA GLN A 100 3.917 -3.621 -4.807 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.475 -2.561 -2.927 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.690 -3.809 -2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.519 -2.505 -1.082 1.00 0.00 H new ATOM 0 HG3 GLN A 100 5.192 -1.507 -2.355 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.500 0.423 -2.737 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.137 1.255 -1.982 1.00 0.00 H new ATOM 1561 N THR A 101 2.871 -2.344 -6.481 1.00 0.00 N ATOM 1562 CA THR A 101 2.046 -1.743 -7.479 1.00 0.00 C ATOM 1563 C THR A 101 0.581 -2.113 -7.321 1.00 0.00 C ATOM 1564 O THR A 101 0.161 -3.224 -7.501 1.00 0.00 O ATOM 1565 CB THR A 101 2.375 -2.058 -8.943 1.00 0.00 C ATOM 1566 OG1 THR A 101 1.529 -1.349 -9.804 1.00 0.00 O ATOM 1567 CG2 THR A 101 2.496 -3.543 -9.326 1.00 0.00 C ATOM 0 H THR A 101 3.312 -3.227 -6.740 1.00 0.00 H new ATOM 0 HA THR A 101 2.254 -0.689 -7.295 1.00 0.00 H new ATOM 0 HB THR A 101 3.399 -1.707 -9.069 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.755 -1.562 -10.733 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.731 -3.627 -10.387 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.290 -4.006 -8.741 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.553 -4.049 -9.122 1.00 0.00 H new ATOM 1575 N TYR A 102 -0.086 -1.010 -6.969 1.00 0.00 N ATOM 1576 CA TYR A 102 -1.510 -1.298 -6.795 1.00 0.00 C ATOM 1577 C TYR A 102 -2.083 -1.441 -8.212 1.00 0.00 C ATOM 1578 O TYR A 102 -2.524 -0.451 -8.745 1.00 0.00 O ATOM 1579 CB TYR A 102 -2.208 -0.189 -6.042 1.00 0.00 C ATOM 1580 CG TYR A 102 -1.644 0.243 -4.722 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -0.678 1.259 -4.673 1.00 0.00 C ATOM 1582 CD2 TYR A 102 -1.953 -0.243 -3.473 1.00 0.00 C ATOM 1583 CE1 TYR A 102 -0.113 1.713 -3.506 1.00 0.00 C ATOM 1584 CE2 TYR A 102 -1.375 0.224 -2.317 1.00 0.00 C ATOM 1585 CZ TYR A 102 -0.421 1.246 -2.422 1.00 0.00 C ATOM 1586 OH TYR A 102 0.218 1.779 -1.326 1.00 0.00 O ATOM 0 H TYR A 102 0.259 -0.062 -6.819 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.659 -2.204 -6.207 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.238 0.685 -6.692 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.240 -0.499 -5.876 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -0.361 1.708 -5.603 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.687 -1.032 -3.397 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.622 2.503 -3.549 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.648 -0.185 -1.355 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.103 1.336 -0.513 1.00 0.00 H new ATOM 1596 N THR A 103 -2.016 -2.692 -8.692 1.00 0.00 N ATOM 1597 CA THR A 103 -2.494 -3.087 -10.010 1.00 0.00 C ATOM 1598 C THR A 103 -4.012 -2.846 -9.868 1.00 0.00 C ATOM 1599 O THR A 103 -4.781 -3.662 -9.417 1.00 0.00 O ATOM 1600 CB THR A 103 -2.203 -4.519 -10.402 1.00 0.00 C ATOM 1601 OG1 THR A 103 -0.876 -4.726 -10.825 1.00 0.00 O ATOM 1602 CG2 THR A 103 -3.074 -5.074 -11.548 1.00 0.00 C ATOM 0 H THR A 103 -1.619 -3.466 -8.159 1.00 0.00 H new ATOM 0 HA THR A 103 -1.996 -2.529 -10.803 1.00 0.00 H new ATOM 0 HB THR A 103 -2.423 -5.041 -9.471 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.868 -5.340 -11.589 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.789 -6.106 -11.755 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.124 -5.039 -11.257 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.925 -4.470 -12.443 1.00 0.00 H new ATOM 1610 N TYR A 104 -4.270 -1.605 -10.325 1.00 0.00 N ATOM 1611 CA TYR A 104 -5.637 -1.119 -10.302 1.00 0.00 C ATOM 1612 C TYR A 104 -6.196 -0.992 -11.686 1.00 0.00 C ATOM 1613 O TYR A 104 -5.767 -0.191 -12.518 1.00 0.00 O ATOM 1614 CB TYR A 104 -5.603 0.175 -9.450 1.00 0.00 C ATOM 1615 CG TYR A 104 -6.841 0.958 -9.507 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -8.044 0.308 -9.808 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -6.943 2.316 -9.285 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -9.241 0.971 -9.873 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -8.198 2.908 -9.374 1.00 0.00 C ATOM 1620 CZ TYR A 104 -9.322 2.156 -9.677 1.00 0.00 C ATOM 1621 OH TYR A 104 -10.565 2.715 -9.771 1.00 0.00 O ATOM 0 H TYR A 104 -3.576 -0.956 -10.696 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.338 -1.813 -9.839 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.400 -0.090 -8.412 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.775 0.798 -9.787 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.028 -0.755 -9.996 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.069 2.905 -9.048 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -10.137 0.415 -10.107 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.298 3.970 -9.204 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.506 3.677 -9.591 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.209 -1.843 -11.909 1.00 0.00 N ATOM 1632 CA GLU A 105 -7.923 -1.925 -13.159 1.00 0.00 C ATOM 1633 C GLU A 105 -7.085 -1.986 -14.411 1.00 0.00 C ATOM 1634 O GLU A 105 -7.623 -1.729 -15.499 1.00 0.00 O ATOM 1635 CB GLU A 105 -8.782 -0.637 -13.157 1.00 0.00 C ATOM 1636 CG GLU A 105 -10.202 -0.971 -12.629 1.00 0.00 C ATOM 1637 CD GLU A 105 -11.262 -0.029 -13.177 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -11.176 0.285 -14.381 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -12.166 0.391 -12.442 1.00 0.00 O ATOM 0 H GLU A 105 -7.548 -2.497 -11.204 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.473 -2.865 -13.201 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.317 0.123 -12.529 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.843 -0.225 -14.164 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.456 -1.996 -12.900 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.203 -0.920 -11.540 1.00 0.00 H new ATOM 1646 N GLY A 106 -5.778 -2.328 -14.246 1.00 0.00 N ATOM 1647 CA GLY A 106 -4.974 -2.390 -15.449 1.00 0.00 C ATOM 1648 C GLY A 106 -4.058 -1.214 -15.651 1.00 0.00 C ATOM 1649 O GLY A 106 -3.570 -1.004 -16.769 1.00 0.00 O ATOM 0 H GLY A 106 -5.310 -2.544 -13.366 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -4.375 -3.300 -15.423 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -5.638 -2.469 -16.310 1.00 0.00 H new ATOM 1653 N VAL A 107 -3.773 -0.400 -14.630 1.00 0.00 N ATOM 1654 CA VAL A 107 -2.887 0.730 -14.835 1.00 0.00 C ATOM 1655 C VAL A 107 -1.486 0.495 -14.317 1.00 0.00 C ATOM 1656 O VAL A 107 -0.556 0.933 -14.984 1.00 0.00 O ATOM 1657 CB VAL A 107 -3.484 1.873 -14.015 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -2.440 2.880 -13.554 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -4.565 2.641 -14.768 1.00 0.00 C ATOM 0 H VAL A 107 -4.135 -0.504 -13.682 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.808 0.925 -15.904 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.922 1.376 -13.149 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.924 3.668 -12.977 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.699 2.377 -12.932 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.948 3.317 -14.423 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.951 3.440 -14.135 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.141 3.070 -15.676 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.376 1.963 -15.032 1.00 0.00 H new ATOM 1669 N GLU A 108 -1.474 -0.193 -13.161 1.00 0.00 N ATOM 1670 CA GLU A 108 -0.197 -0.512 -12.512 1.00 0.00 C ATOM 1671 C GLU A 108 0.418 0.786 -12.013 1.00 0.00 C ATOM 1672 O GLU A 108 1.043 1.474 -12.807 1.00 0.00 O ATOM 1673 CB GLU A 108 0.739 -1.300 -13.405 1.00 0.00 C ATOM 1674 CG GLU A 108 0.445 -2.789 -13.230 1.00 0.00 C ATOM 1675 CD GLU A 108 0.996 -3.612 -14.388 1.00 0.00 C ATOM 1676 OE1 GLU A 108 2.177 -3.454 -14.691 1.00 0.00 O ATOM 1677 OE2 GLU A 108 0.191 -4.374 -14.929 1.00 0.00 O ATOM 0 H GLU A 108 -2.305 -0.528 -12.673 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.380 -1.174 -11.666 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.603 -1.008 -14.446 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.776 -1.087 -13.147 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.882 -3.139 -12.295 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.632 -2.941 -13.155 1.00 0.00 H new ATOM 1684 N ALA A 109 0.182 1.020 -10.711 1.00 0.00 N ATOM 1685 CA ALA A 109 0.718 2.214 -10.128 1.00 0.00 C ATOM 1686 C ALA A 109 1.429 1.853 -8.786 1.00 0.00 C ATOM 1687 O ALA A 109 0.694 1.451 -7.906 1.00 0.00 O ATOM 1688 CB ALA A 109 -0.481 3.024 -9.634 1.00 0.00 C ATOM 0 H ALA A 109 -0.353 0.417 -10.085 1.00 0.00 H new ATOM 0 HA ALA A 109 1.370 2.710 -10.847 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.131 3.950 -9.178 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.134 3.258 -10.475 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.034 2.442 -8.896 1.00 0.00 H new ATOM 1694 N LYS A 110 2.741 2.056 -8.866 1.00 0.00 N ATOM 1695 CA LYS A 110 3.491 1.746 -7.699 1.00 0.00 C ATOM 1696 C LYS A 110 4.146 2.977 -7.123 1.00 0.00 C ATOM 1697 O LYS A 110 3.932 4.091 -7.588 1.00 0.00 O ATOM 1698 CB LYS A 110 4.640 0.762 -8.084 1.00 0.00 C ATOM 1699 CG LYS A 110 4.509 0.444 -9.579 1.00 0.00 C ATOM 1700 CD LYS A 110 5.581 -0.530 -10.071 1.00 0.00 C ATOM 1701 CE LYS A 110 5.699 -0.686 -11.578 1.00 0.00 C ATOM 1702 NZ LYS A 110 6.612 0.272 -12.223 1.00 0.00 N ATOM 0 H LYS A 110 3.258 2.408 -9.672 1.00 0.00 H new ATOM 0 HA LYS A 110 2.806 1.316 -6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.611 1.209 -7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.574 -0.151 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.523 0.020 -9.771 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.575 1.370 -10.150 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.546 -0.203 -9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.379 -1.510 -9.639 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.039 -1.698 -11.800 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.709 -0.578 -12.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.633 0.096 -13.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.280 1.241 -12.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.569 0.157 -11.832 1.00 0.00 H new ATOM 1716 N ARG A 111 4.936 2.594 -6.101 1.00 0.00 N ATOM 1717 CA ARG A 111 5.685 3.638 -5.389 1.00 0.00 C ATOM 1718 C ARG A 111 6.860 2.818 -4.782 1.00 0.00 C ATOM 1719 O ARG A 111 6.634 1.914 -4.020 1.00 0.00 O ATOM 1720 CB ARG A 111 4.867 4.343 -4.321 1.00 0.00 C ATOM 1721 CG ARG A 111 3.585 4.999 -4.862 1.00 0.00 C ATOM 1722 CD ARG A 111 2.868 5.752 -3.750 1.00 0.00 C ATOM 1723 NE ARG A 111 1.508 6.018 -4.215 1.00 0.00 N ATOM 1724 CZ ARG A 111 0.714 6.727 -3.422 1.00 0.00 C ATOM 1725 NH1 ARG A 111 1.042 7.217 -2.228 1.00 0.00 N ATOM 1726 NH2 ARG A 111 -0.516 6.968 -3.857 1.00 0.00 N ATOM 0 H ARG A 111 5.066 1.638 -5.769 1.00 0.00 H new ATOM 0 HA ARG A 111 5.996 4.459 -6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.599 3.624 -3.547 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.484 5.106 -3.847 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.833 5.684 -5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.926 4.237 -5.278 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.853 5.162 -2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.385 6.684 -3.521 1.00 0.00 H new ATOM 0 HE ARG A 111 1.181 5.671 -5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.976 7.057 -1.850 1.00 0.00 H new ATOM 0 HH12 ARG A 111 0.359 7.752 -1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.814 6.613 -4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.163 7.509 -3.283 1.00 0.00 H new ATOM 1740 N ILE A 112 8.060 3.251 -5.216 1.00 0.00 N ATOM 1741 CA ILE A 112 9.207 2.532 -4.704 1.00 0.00 C ATOM 1742 C ILE A 112 9.797 3.171 -3.445 1.00 0.00 C ATOM 1743 O ILE A 112 10.095 4.336 -3.524 1.00 0.00 O ATOM 1744 CB ILE A 112 10.282 2.401 -5.783 1.00 0.00 C ATOM 1745 CG1 ILE A 112 11.535 1.667 -5.296 1.00 0.00 C ATOM 1746 CG2 ILE A 112 10.751 3.750 -6.307 1.00 0.00 C ATOM 1747 CD1 ILE A 112 12.843 2.046 -6.011 1.00 0.00 C ATOM 0 H ILE A 112 8.240 4.022 -5.859 1.00 0.00 H new ATOM 0 HA ILE A 112 8.853 1.541 -4.421 1.00 0.00 H new ATOM 0 HB ILE A 112 9.791 1.829 -6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.656 1.858 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 112 11.375 0.595 -5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.514 3.598 -7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 112 9.906 4.286 -6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.169 4.333 -5.487 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.667 1.470 -5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 112 12.753 1.827 -7.075 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.037 3.110 -5.874 1.00 0.00 H new ATOM 1759 N PHE A 113 9.884 2.317 -2.434 1.00 0.00 N ATOM 1760 CA PHE A 113 10.417 2.750 -1.162 1.00 0.00 C ATOM 1761 C PHE A 113 11.635 1.844 -0.913 1.00 0.00 C ATOM 1762 O PHE A 113 12.285 1.587 -1.920 1.00 0.00 O ATOM 1763 CB PHE A 113 9.452 2.706 -0.009 1.00 0.00 C ATOM 1764 CG PHE A 113 8.159 3.415 -0.161 1.00 0.00 C ATOM 1765 CD1 PHE A 113 8.075 4.794 -0.062 1.00 0.00 C ATOM 1766 CD2 PHE A 113 6.951 2.775 -0.404 1.00 0.00 C ATOM 1767 CE1 PHE A 113 6.824 5.398 -0.210 1.00 0.00 C ATOM 1768 CE2 PHE A 113 5.761 3.485 -0.535 1.00 0.00 C ATOM 1769 CZ PHE A 113 5.683 4.688 -0.448 1.00 0.00 C ATOM 0 H PHE A 113 9.597 1.339 -2.473 1.00 0.00 H new ATOM 0 HA PHE A 113 10.669 3.809 -1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 113 9.237 1.660 0.207 1.00 0.00 H new ATOM 0 HB3 PHE A 113 9.957 3.115 0.866 1.00 0.00 H new ATOM 0 HD1 PHE A 113 8.957 5.389 0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.934 1.699 -0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.757 6.473 -0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 113 4.855 2.929 -0.725 1.00 0.00 H new ATOM 0 HZ PHE A 113 4.733 5.189 -0.556 1.00 0.00 H new ATOM 1779 N LYS A 114 11.791 1.477 0.352 1.00 0.00 N ATOM 1780 CA LYS A 114 12.916 0.621 0.663 1.00 0.00 C ATOM 1781 C LYS A 114 12.785 -0.044 2.035 1.00 0.00 C ATOM 1782 O LYS A 114 11.736 -0.341 2.534 1.00 0.00 O ATOM 1783 CB LYS A 114 14.216 1.374 0.417 1.00 0.00 C ATOM 1784 CG LYS A 114 14.728 2.299 1.512 1.00 0.00 C ATOM 1785 CD LYS A 114 13.691 2.636 2.595 1.00 0.00 C ATOM 1786 CE LYS A 114 13.597 4.153 2.904 1.00 0.00 C ATOM 1787 NZ LYS A 114 12.255 4.669 2.840 1.00 0.00 N ATOM 0 H LYS A 114 11.191 1.741 1.134 1.00 0.00 H new ATOM 0 HA LYS A 114 12.928 -0.231 -0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.994 0.638 0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 114 14.091 1.967 -0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 114 15.593 1.836 1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 114 15.073 3.227 1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 114 12.713 2.276 2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 114 13.945 2.101 3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 114 14.002 4.339 3.899 1.00 0.00 H new ATOM 0 HE3 LYS A 114 14.222 4.699 2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.263 5.686 3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.872 4.521 1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.659 4.173 3.533 1.00 0.00 H new ATOM 1801 N LYS A 115 13.954 -0.287 2.623 1.00 0.00 N ATOM 1802 CA LYS A 115 14.170 -0.897 3.895 1.00 0.00 C ATOM 1803 C LYS A 115 15.091 -0.050 4.762 1.00 0.00 C ATOM 1804 O LYS A 115 15.891 0.712 4.232 1.00 0.00 O ATOM 1805 CB LYS A 115 14.811 -2.269 3.603 1.00 0.00 C ATOM 1806 CG LYS A 115 14.550 -3.204 4.808 1.00 0.00 C ATOM 1807 CD LYS A 115 15.695 -4.222 4.967 1.00 0.00 C ATOM 1808 CE LYS A 115 15.293 -5.423 5.813 1.00 0.00 C ATOM 1809 NZ LYS A 115 16.330 -6.337 6.211 1.00 0.00 N ATOM 0 H LYS A 115 14.833 -0.035 2.171 1.00 0.00 H new ATOM 0 HA LYS A 115 13.234 -0.998 4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 115 14.389 -2.697 2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.882 -2.158 3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.454 -2.613 5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.606 -3.730 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.012 -4.565 3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.553 -3.730 5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.809 -5.050 6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.543 -5.987 5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.903 -7.171 6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.871 -6.634 5.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.967 -5.867 6.886 1.00 0.00 H new ATOM 1823 N GLU A 116 14.903 -0.263 6.077 1.00 0.00 N ATOM 1824 CA GLU A 116 15.660 0.420 7.086 1.00 0.00 C ATOM 1825 C GLU A 116 15.955 1.883 6.748 1.00 0.00 C ATOM 1826 O GLU A 116 17.063 2.172 6.301 1.00 0.00 O ATOM 1827 CB GLU A 116 16.981 -0.388 7.221 1.00 0.00 C ATOM 1828 CG GLU A 116 16.972 -1.528 8.215 1.00 0.00 C ATOM 1829 CD GLU A 116 17.737 -2.779 7.713 1.00 0.00 C ATOM 1830 OE1 GLU A 116 18.820 -2.560 7.133 1.00 0.00 O ATOM 1831 OE2 GLU A 116 17.236 -3.884 7.916 1.00 0.00 O ATOM 1832 OXT GLU A 116 15.090 2.730 6.924 1.00 0.00 O ATOM 0 H GLU A 116 14.216 -0.919 6.448 1.00 0.00 H new ATOM 0 HA GLU A 116 15.090 0.464 8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 116 17.237 -0.791 6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 116 17.777 0.302 7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 116 17.416 -1.189 9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 116 15.940 -1.804 8.433 1.00 0.00 H new