USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 707 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 82 GLN : amide:sc= 0.515 X(o=1.2,f=0.99) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0.696 USER MOD Set 2.1: A 29 SER OG : rot 120:sc= -1.29! USER MOD Set 2.2: A 52 HIS : no HE2:sc=-0.000633 K(o=-1.3,f=-4.4) USER MOD Single : A 1 MET CE :methyl 170:sc= -0.398 (180deg=-0.653) USER MOD Single : A 1 MET N :NH3+ -140:sc= -1.21 (180deg=-4.11!) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.38 USER MOD Single : A 23 GLN : amide:sc= -0.493 K(o=-0.49,f=-2.8) USER MOD Single : A 32 ASN : amide:sc= -1.3! K(o=-1.3!,f=-0.13) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0.607 K(o=0.61,f=-0.76) USER MOD Single : A 36 TYR OH : rot 30:sc= -0.0253 USER MOD Single : A 37 SER OG : rot 180:sc= -1.37 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.016 X(o=-0.016,f=-0.016) USER MOD Single : A 50 THR OG1 : rot -59:sc= 1.28 USER MOD Single : A 56 TYR OH : rot -9:sc= 1.07 USER MOD Single : A 60 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.24) USER MOD Single : A 62 THR OG1 : rot -160:sc= -1.31 USER MOD Single : A 71 THR OG1 : rot 32:sc= 1.31 USER MOD Single : A 76 TYR OH : rot -178:sc= 0.681 USER MOD Single : A 79 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.95) USER MOD Single : A 83 THR OG1 : rot -88:sc= 1.31 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 150:sc= -0.176 (180deg=-1.64) USER MOD Single : A 91 TYR OH : rot -4:sc= 1.31 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -1.75 K(o=-1.8,f=-0.77) USER MOD Single : A 101 LYS NZ :NH3+ -161:sc= -0.0698 (180deg=-0.514) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.211 3.642 -11.690 1.00 0.00 N ATOM 2 CA MET A 1 5.140 3.438 -10.568 1.00 0.00 C ATOM 3 C MET A 1 4.688 2.228 -9.765 1.00 0.00 C ATOM 4 O MET A 1 3.611 1.694 -10.016 1.00 0.00 O ATOM 5 CB MET A 1 5.153 4.688 -9.693 1.00 0.00 C ATOM 6 CG MET A 1 6.506 5.013 -9.087 1.00 0.00 C ATOM 7 SD MET A 1 7.777 5.290 -10.339 1.00 0.00 S ATOM 8 CE MET A 1 7.066 6.650 -11.266 1.00 0.00 C ATOM 0 H1 MET A 1 4.747 3.913 -12.539 1.00 0.00 H new ATOM 0 H2 MET A 1 3.691 2.760 -11.875 1.00 0.00 H new ATOM 0 H3 MET A 1 3.537 4.397 -11.450 1.00 0.00 H new ATOM 0 HA MET A 1 6.149 3.260 -10.939 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.822 5.538 -10.289 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.429 4.561 -8.888 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.416 5.902 -8.462 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.814 4.195 -8.436 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.809 7.047 -11.957 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.202 6.295 -11.827 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.754 7.436 -10.578 1.00 0.00 H new ATOM 20 N ARG A 2 5.493 1.780 -8.819 1.00 0.00 N ATOM 21 CA ARG A 2 5.100 0.664 -7.975 1.00 0.00 C ATOM 22 C ARG A 2 4.326 1.156 -6.760 1.00 0.00 C ATOM 23 O ARG A 2 4.676 2.169 -6.154 1.00 0.00 O ATOM 24 CB ARG A 2 6.323 -0.145 -7.555 1.00 0.00 C ATOM 25 CG ARG A 2 6.705 -1.206 -8.571 1.00 0.00 C ATOM 26 CD ARG A 2 8.132 -1.688 -8.380 1.00 0.00 C ATOM 27 NE ARG A 2 9.098 -0.805 -9.031 1.00 0.00 N ATOM 28 CZ ARG A 2 10.349 -1.158 -9.317 1.00 0.00 C ATOM 29 NH1 ARG A 2 10.812 -2.345 -8.944 1.00 0.00 N ATOM 30 NH2 ARG A 2 11.136 -0.325 -9.979 1.00 0.00 N ATOM 0 H ARG A 2 6.415 2.167 -8.616 1.00 0.00 H new ATOM 0 HA ARG A 2 4.443 0.011 -8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.166 0.530 -7.407 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.125 -0.622 -6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 2 6.022 -2.051 -8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 2 6.590 -0.803 -9.577 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.355 -1.748 -7.315 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.232 -2.696 -8.784 1.00 0.00 H new ATOM 0 HE ARG A 2 8.796 0.137 -9.281 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.208 -2.991 -8.436 1.00 0.00 H new ATOM 0 HH12 ARG A 2 11.771 -2.611 -9.166 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.784 0.587 -10.270 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.095 -0.595 -10.198 1.00 0.00 H new ATOM 44 N ILE A 3 3.267 0.442 -6.421 1.00 0.00 N ATOM 45 CA ILE A 3 2.393 0.840 -5.329 1.00 0.00 C ATOM 46 C ILE A 3 1.923 -0.392 -4.557 1.00 0.00 C ATOM 47 O ILE A 3 1.840 -1.493 -5.114 1.00 0.00 O ATOM 48 CB ILE A 3 1.175 1.646 -5.855 1.00 0.00 C ATOM 49 CG1 ILE A 3 0.310 2.154 -4.694 1.00 0.00 C ATOM 50 CG2 ILE A 3 0.350 0.802 -6.818 1.00 0.00 C ATOM 51 CD1 ILE A 3 -0.854 3.017 -5.132 1.00 0.00 C ATOM 0 H ILE A 3 2.990 -0.421 -6.888 1.00 0.00 H new ATOM 0 HA ILE A 3 2.958 1.485 -4.656 1.00 0.00 H new ATOM 0 HB ILE A 3 1.550 2.514 -6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.073 1.299 -4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.937 2.725 -4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.499 1.384 -7.176 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.969 0.506 -7.664 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.011 -0.088 -6.304 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.419 3.338 -4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.479 3.892 -5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.504 2.443 -5.793 1.00 0.00 H new ATOM 63 N PHE A 4 1.646 -0.208 -3.273 1.00 0.00 N ATOM 64 CA PHE A 4 1.207 -1.299 -2.418 1.00 0.00 C ATOM 65 C PHE A 4 -0.316 -1.396 -2.414 1.00 0.00 C ATOM 66 O PHE A 4 -1.013 -0.408 -2.170 1.00 0.00 O ATOM 67 CB PHE A 4 1.732 -1.092 -0.992 1.00 0.00 C ATOM 68 CG PHE A 4 1.445 -2.240 -0.068 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.231 -3.379 -0.097 1.00 0.00 C ATOM 70 CD2 PHE A 4 0.390 -2.179 0.829 1.00 0.00 C ATOM 71 CE1 PHE A 4 1.972 -4.437 0.751 1.00 0.00 C ATOM 72 CE2 PHE A 4 0.127 -3.234 1.679 1.00 0.00 C ATOM 73 CZ PHE A 4 0.919 -4.365 1.640 1.00 0.00 C ATOM 0 H PHE A 4 1.719 0.693 -2.800 1.00 0.00 H new ATOM 0 HA PHE A 4 1.609 -2.233 -2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.809 -0.930 -1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.288 -0.186 -0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.056 -3.441 -0.791 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.232 -1.297 0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.593 -5.320 0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.697 -3.175 2.374 1.00 0.00 H new ATOM 0 HZ PHE A 4 0.714 -5.192 2.304 1.00 0.00 H new ATOM 83 N VAL A 5 -0.828 -2.585 -2.693 1.00 0.00 N ATOM 84 CA VAL A 5 -2.263 -2.813 -2.718 1.00 0.00 C ATOM 85 C VAL A 5 -2.759 -3.291 -1.360 1.00 0.00 C ATOM 86 O VAL A 5 -2.512 -4.427 -0.956 1.00 0.00 O ATOM 87 CB VAL A 5 -2.650 -3.836 -3.810 1.00 0.00 C ATOM 88 CG1 VAL A 5 -4.137 -4.160 -3.767 1.00 0.00 C ATOM 89 CG2 VAL A 5 -2.256 -3.302 -5.176 1.00 0.00 C ATOM 0 H VAL A 5 -0.267 -3.410 -2.906 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.741 -1.862 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.109 -4.763 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.375 -4.882 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.390 -4.581 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.713 -3.249 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.531 -4.026 -5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.775 -2.362 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.179 -3.134 -5.204 1.00 0.00 H new ATOM 99 N TYR A 6 -3.438 -2.400 -0.652 1.00 0.00 N ATOM 100 CA TYR A 6 -4.020 -2.727 0.641 1.00 0.00 C ATOM 101 C TYR A 6 -5.543 -2.756 0.546 1.00 0.00 C ATOM 102 O TYR A 6 -6.250 -2.663 1.546 1.00 0.00 O ATOM 103 CB TYR A 6 -3.560 -1.728 1.711 1.00 0.00 C ATOM 104 CG TYR A 6 -3.946 -0.287 1.442 1.00 0.00 C ATOM 105 CD1 TYR A 6 -3.286 0.472 0.477 1.00 0.00 C ATOM 106 CD2 TYR A 6 -4.962 0.318 2.169 1.00 0.00 C ATOM 107 CE1 TYR A 6 -3.634 1.791 0.251 1.00 0.00 C ATOM 108 CE2 TYR A 6 -5.316 1.632 1.945 1.00 0.00 C ATOM 109 CZ TYR A 6 -4.651 2.364 0.988 1.00 0.00 C ATOM 110 OH TYR A 6 -5.003 3.675 0.770 1.00 0.00 O ATOM 0 H TYR A 6 -3.600 -1.439 -0.954 1.00 0.00 H new ATOM 0 HA TYR A 6 -3.675 -3.718 0.934 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.978 -2.028 2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.475 -1.788 1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.492 0.024 -0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.485 -0.251 2.924 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.113 2.370 -0.498 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.112 2.085 2.518 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.737 3.921 1.371 1.00 0.00 H new ATOM 357 N ALA A 22 -1.033 -3.211 -15.197 1.00 0.00 N ATOM 358 CA ALA A 22 -0.774 -3.727 -13.862 1.00 0.00 C ATOM 359 C ALA A 22 -0.022 -5.048 -13.932 1.00 0.00 C ATOM 360 O ALA A 22 -0.567 -6.064 -14.366 1.00 0.00 O ATOM 361 CB ALA A 22 -2.077 -3.896 -13.098 1.00 0.00 C ATOM 0 HA ALA A 22 -0.151 -3.008 -13.331 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.867 -4.283 -12.101 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.578 -2.931 -13.015 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.722 -4.595 -13.630 1.00 0.00 H new ATOM 367 N GLN A 23 1.236 -5.022 -13.523 1.00 0.00 N ATOM 368 CA GLN A 23 2.052 -6.221 -13.496 1.00 0.00 C ATOM 369 C GLN A 23 2.119 -6.759 -12.078 1.00 0.00 C ATOM 370 O GLN A 23 2.582 -6.067 -11.166 1.00 0.00 O ATOM 371 CB GLN A 23 3.469 -5.936 -14.009 1.00 0.00 C ATOM 372 CG GLN A 23 4.359 -7.172 -14.031 1.00 0.00 C ATOM 373 CD GLN A 23 5.808 -6.857 -14.354 1.00 0.00 C ATOM 374 OE1 GLN A 23 6.310 -5.775 -14.041 1.00 0.00 O ATOM 375 NE2 GLN A 23 6.497 -7.808 -14.969 1.00 0.00 N ATOM 0 H GLN A 23 1.714 -4.179 -13.204 1.00 0.00 H new ATOM 0 HA GLN A 23 1.595 -6.963 -14.151 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.408 -5.522 -15.016 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.930 -5.175 -13.379 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.308 -7.666 -13.061 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.974 -7.877 -14.768 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.045 -8.690 -15.211 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.479 -7.658 -15.200 1.00 0.00 H new ATOM 384 N LEU A 24 1.635 -7.974 -11.891 1.00 0.00 N ATOM 385 CA LEU A 24 1.696 -8.618 -10.595 1.00 0.00 C ATOM 386 C LEU A 24 3.126 -9.019 -10.275 1.00 0.00 C ATOM 387 O LEU A 24 3.655 -9.984 -10.833 1.00 0.00 O ATOM 388 CB LEU A 24 0.778 -9.840 -10.544 1.00 0.00 C ATOM 389 CG LEU A 24 0.872 -10.667 -9.258 1.00 0.00 C ATOM 390 CD1 LEU A 24 0.583 -9.806 -8.039 1.00 0.00 C ATOM 391 CD2 LEU A 24 -0.083 -11.847 -9.316 1.00 0.00 C ATOM 0 H LEU A 24 1.195 -8.533 -12.622 1.00 0.00 H new ATOM 0 HA LEU A 24 1.352 -7.906 -9.845 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.252 -9.507 -10.670 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.010 -10.486 -11.391 1.00 0.00 H new ATOM 0 HG LEU A 24 1.889 -11.048 -9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.656 -10.415 -7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.308 -8.994 -7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.422 -9.391 -8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.004 -12.425 -8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.104 -11.483 -9.430 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.173 -12.481 -10.165 1.00 0.00 H new ATOM 403 N LEU A 25 3.753 -8.253 -9.397 1.00 0.00 N ATOM 404 CA LEU A 25 5.100 -8.551 -8.948 1.00 0.00 C ATOM 405 C LEU A 25 5.070 -9.753 -8.019 1.00 0.00 C ATOM 406 O LEU A 25 5.903 -10.655 -8.110 1.00 0.00 O ATOM 407 CB LEU A 25 5.698 -7.340 -8.228 1.00 0.00 C ATOM 408 CG LEU A 25 5.836 -6.075 -9.079 1.00 0.00 C ATOM 409 CD1 LEU A 25 6.361 -4.924 -8.237 1.00 0.00 C ATOM 410 CD2 LEU A 25 6.753 -6.326 -10.268 1.00 0.00 C ATOM 0 H LEU A 25 3.346 -7.416 -8.980 1.00 0.00 H new ATOM 0 HA LEU A 25 5.724 -8.781 -9.812 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.077 -7.110 -7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.683 -7.613 -7.850 1.00 0.00 H new ATOM 0 HG LEU A 25 4.850 -5.806 -9.457 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.453 -4.032 -8.857 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.669 -4.727 -7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.338 -5.186 -7.831 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.838 -5.415 -10.860 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.740 -6.620 -9.911 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.338 -7.123 -10.885 1.00 0.00 H new ATOM 422 N GLY A 26 4.096 -9.749 -7.127 1.00 0.00 N ATOM 423 CA GLY A 26 3.901 -10.856 -6.223 1.00 0.00 C ATOM 424 C GLY A 26 3.277 -10.386 -4.936 1.00 0.00 C ATOM 425 O GLY A 26 3.144 -9.178 -4.719 1.00 0.00 O ATOM 0 H GLY A 26 3.428 -8.986 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.263 -11.606 -6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.857 -11.336 -6.016 1.00 0.00 H new ATOM 429 N ASP A 27 2.874 -11.314 -4.085 1.00 0.00 N ATOM 430 CA ASP A 27 2.326 -10.936 -2.798 1.00 0.00 C ATOM 431 C ASP A 27 3.433 -10.584 -1.846 1.00 0.00 C ATOM 432 O ASP A 27 4.525 -11.159 -1.876 1.00 0.00 O ATOM 433 CB ASP A 27 1.461 -12.030 -2.186 1.00 0.00 C ATOM 434 CG ASP A 27 2.230 -13.300 -1.881 1.00 0.00 C ATOM 435 OD1 ASP A 27 2.587 -14.033 -2.825 1.00 0.00 O ATOM 436 OD2 ASP A 27 2.492 -13.567 -0.690 1.00 0.00 O ATOM 0 H ASP A 27 2.915 -12.318 -4.259 1.00 0.00 H new ATOM 0 HA ASP A 27 1.689 -10.069 -2.970 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.011 -11.656 -1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.644 -12.263 -2.869 1.00 0.00 H new ATOM 441 N PHE A 28 3.137 -9.638 -1.003 1.00 0.00 N ATOM 442 CA PHE A 28 4.107 -9.143 -0.048 1.00 0.00 C ATOM 443 C PHE A 28 3.407 -8.564 1.169 1.00 0.00 C ATOM 444 O PHE A 28 2.872 -7.460 1.133 1.00 0.00 O ATOM 445 CB PHE A 28 5.020 -8.106 -0.714 1.00 0.00 C ATOM 446 CG PHE A 28 6.017 -7.462 0.211 1.00 0.00 C ATOM 447 CD1 PHE A 28 6.820 -8.226 1.046 1.00 0.00 C ATOM 448 CD2 PHE A 28 6.147 -6.083 0.241 1.00 0.00 C ATOM 449 CE1 PHE A 28 7.732 -7.621 1.893 1.00 0.00 C ATOM 450 CE2 PHE A 28 7.054 -5.477 1.084 1.00 0.00 C ATOM 451 CZ PHE A 28 7.847 -6.243 1.911 1.00 0.00 C ATOM 0 H PHE A 28 2.225 -9.185 -0.951 1.00 0.00 H new ATOM 0 HA PHE A 28 4.728 -9.973 0.291 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.559 -8.587 -1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.400 -7.327 -1.157 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.732 -9.302 1.035 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.530 -5.475 -0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.353 -8.224 2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.143 -4.401 1.096 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.557 -5.768 2.572 1.00 0.00 H new ATOM 461 N SER A 29 3.388 -9.342 2.236 1.00 0.00 N ATOM 462 CA SER A 29 2.793 -8.906 3.480 1.00 0.00 C ATOM 463 C SER A 29 3.839 -8.189 4.327 1.00 0.00 C ATOM 464 O SER A 29 4.961 -8.675 4.479 1.00 0.00 O ATOM 465 CB SER A 29 2.224 -10.115 4.222 1.00 0.00 C ATOM 466 OG SER A 29 1.365 -10.863 3.374 1.00 0.00 O ATOM 0 H SER A 29 3.781 -10.283 2.263 1.00 0.00 H new ATOM 0 HA SER A 29 1.980 -8.208 3.277 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.038 -10.749 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.675 -9.782 5.103 1.00 0.00 H new ATOM 0 HG SER A 29 1.712 -11.775 3.279 1.00 0.00 H new ATOM 472 N ILE A 30 3.483 -7.035 4.868 1.00 0.00 N ATOM 473 CA ILE A 30 4.431 -6.242 5.630 1.00 0.00 C ATOM 474 C ILE A 30 4.037 -6.181 7.085 1.00 0.00 C ATOM 475 O ILE A 30 2.908 -5.828 7.424 1.00 0.00 O ATOM 476 CB ILE A 30 4.574 -4.812 5.076 1.00 0.00 C ATOM 477 CG1 ILE A 30 3.205 -4.187 4.809 1.00 0.00 C ATOM 478 CG2 ILE A 30 5.412 -4.818 3.816 1.00 0.00 C ATOM 479 CD1 ILE A 30 3.279 -2.838 4.120 1.00 0.00 C ATOM 0 H ILE A 30 2.550 -6.629 4.794 1.00 0.00 H new ATOM 0 HA ILE A 30 5.397 -6.739 5.536 1.00 0.00 H new ATOM 0 HB ILE A 30 5.078 -4.205 5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.617 -4.868 4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.675 -4.074 5.755 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.505 -3.801 3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.403 -5.213 4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.933 -5.444 3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.271 -2.454 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.839 -2.141 4.744 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.780 -2.948 3.158 1.00 0.00 H new ATOM 491 N ASP A 31 4.969 -6.542 7.940 1.00 0.00 N ATOM 492 CA ASP A 31 4.722 -6.532 9.367 1.00 0.00 C ATOM 493 C ASP A 31 5.005 -5.145 9.923 1.00 0.00 C ATOM 494 O ASP A 31 5.635 -4.328 9.255 1.00 0.00 O ATOM 495 CB ASP A 31 5.588 -7.570 10.080 1.00 0.00 C ATOM 496 CG ASP A 31 4.962 -8.041 11.373 1.00 0.00 C ATOM 497 OD1 ASP A 31 4.984 -7.284 12.363 1.00 0.00 O ATOM 498 OD2 ASP A 31 4.423 -9.165 11.395 1.00 0.00 O ATOM 0 H ASP A 31 5.905 -6.846 7.673 1.00 0.00 H new ATOM 0 HA ASP A 31 3.677 -6.788 9.540 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.745 -8.424 9.422 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.569 -7.142 10.287 1.00 0.00 H new ATOM 503 N ASN A 32 4.539 -4.898 11.143 1.00 0.00 N ATOM 504 CA ASN A 32 4.700 -3.606 11.808 1.00 0.00 C ATOM 505 C ASN A 32 3.852 -2.530 11.137 1.00 0.00 C ATOM 506 O ASN A 32 4.188 -1.348 11.184 1.00 0.00 O ATOM 507 CB ASN A 32 6.170 -3.165 11.847 1.00 0.00 C ATOM 508 CG ASN A 32 7.036 -3.991 12.787 1.00 0.00 C ATOM 509 OD1 ASN A 32 7.960 -3.465 13.411 1.00 0.00 O ATOM 510 ND2 ASN A 32 6.762 -5.284 12.893 1.00 0.00 N ATOM 0 H ASN A 32 4.038 -5.589 11.701 1.00 0.00 H new ATOM 0 HA ASN A 32 4.356 -3.735 12.834 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.584 -3.225 10.840 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.218 -2.119 12.150 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.323 -5.876 13.505 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.990 -5.687 12.362 1.00 0.00 H new ATOM 517 N TYR A 33 2.746 -2.937 10.525 1.00 0.00 N ATOM 518 CA TYR A 33 1.773 -1.993 9.982 1.00 0.00 C ATOM 519 C TYR A 33 0.364 -2.432 10.350 1.00 0.00 C ATOM 520 O TYR A 33 0.099 -3.620 10.502 1.00 0.00 O ATOM 521 CB TYR A 33 1.881 -1.875 8.457 1.00 0.00 C ATOM 522 CG TYR A 33 3.198 -1.318 7.952 1.00 0.00 C ATOM 523 CD1 TYR A 33 3.402 0.052 7.853 1.00 0.00 C ATOM 524 CD2 TYR A 33 4.228 -2.162 7.560 1.00 0.00 C ATOM 525 CE1 TYR A 33 4.595 0.564 7.381 1.00 0.00 C ATOM 526 CE2 TYR A 33 5.424 -1.657 7.084 1.00 0.00 C ATOM 527 CZ TYR A 33 5.602 -0.294 6.997 1.00 0.00 C ATOM 528 OH TYR A 33 6.790 0.214 6.518 1.00 0.00 O ATOM 0 H TYR A 33 2.499 -3.918 10.391 1.00 0.00 H new ATOM 0 HA TYR A 33 1.989 -1.016 10.415 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.728 -2.861 8.019 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.072 -1.238 8.098 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.615 0.729 8.150 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.093 -3.231 7.628 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.738 1.632 7.313 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.215 -2.328 6.782 1.00 0.00 H new ATOM 0 HH TYR A 33 7.394 -0.524 6.293 1.00 0.00 H new ATOM 538 N GLN A 34 -0.535 -1.477 10.497 1.00 0.00 N ATOM 539 CA GLN A 34 -1.918 -1.781 10.843 1.00 0.00 C ATOM 540 C GLN A 34 -2.876 -1.116 9.864 1.00 0.00 C ATOM 541 O GLN A 34 -2.552 -0.080 9.277 1.00 0.00 O ATOM 542 CB GLN A 34 -2.219 -1.340 12.276 1.00 0.00 C ATOM 543 CG GLN A 34 -1.467 -2.150 13.323 1.00 0.00 C ATOM 544 CD GLN A 34 -1.771 -1.715 14.745 1.00 0.00 C ATOM 545 OE1 GLN A 34 -2.082 -0.554 14.999 1.00 0.00 O ATOM 546 NE2 GLN A 34 -1.658 -2.642 15.685 1.00 0.00 N ATOM 0 H GLN A 34 -0.336 -0.483 10.383 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.060 -2.860 10.777 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.961 -0.287 12.387 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.290 -1.427 12.459 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.721 -3.204 13.210 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.396 -2.059 13.143 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.397 -3.595 15.432 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.832 -2.402 16.661 1.00 0.00 H new ATOM 555 N LEU A 35 -4.052 -1.713 9.686 1.00 0.00 N ATOM 556 CA LEU A 35 -5.012 -1.218 8.706 1.00 0.00 C ATOM 557 C LEU A 35 -6.243 -0.624 9.387 1.00 0.00 C ATOM 558 O LEU A 35 -6.818 -1.227 10.291 1.00 0.00 O ATOM 559 CB LEU A 35 -5.435 -2.350 7.766 1.00 0.00 C ATOM 560 CG LEU A 35 -6.266 -1.917 6.555 1.00 0.00 C ATOM 561 CD1 LEU A 35 -5.411 -1.148 5.560 1.00 0.00 C ATOM 562 CD2 LEU A 35 -6.898 -3.124 5.887 1.00 0.00 C ATOM 0 H LEU A 35 -4.361 -2.535 10.205 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.527 -0.430 8.130 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.539 -2.858 7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.008 -3.080 8.337 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.060 -1.257 6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.023 -0.851 4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.003 -0.259 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.594 -1.782 5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.485 -2.799 5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.116 -3.807 5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.547 -3.635 6.598 1.00 0.00 H new ATOM 574 N TYR A 36 -6.630 0.565 8.953 1.00 0.00 N ATOM 575 CA TYR A 36 -7.844 1.210 9.432 1.00 0.00 C ATOM 576 C TYR A 36 -8.964 1.048 8.422 1.00 0.00 C ATOM 577 O TYR A 36 -8.719 0.946 7.221 1.00 0.00 O ATOM 578 CB TYR A 36 -7.627 2.708 9.655 1.00 0.00 C ATOM 579 CG TYR A 36 -6.520 3.041 10.620 1.00 0.00 C ATOM 580 CD1 TYR A 36 -6.734 2.997 11.989 1.00 0.00 C ATOM 581 CD2 TYR A 36 -5.264 3.400 10.156 1.00 0.00 C ATOM 582 CE1 TYR A 36 -5.719 3.305 12.875 1.00 0.00 C ATOM 583 CE2 TYR A 36 -4.244 3.709 11.029 1.00 0.00 C ATOM 584 CZ TYR A 36 -4.476 3.661 12.390 1.00 0.00 C ATOM 585 OH TYR A 36 -3.464 3.970 13.268 1.00 0.00 O ATOM 0 H TYR A 36 -6.114 1.109 8.261 1.00 0.00 H new ATOM 0 HA TYR A 36 -8.108 0.733 10.376 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.409 3.178 8.696 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.555 3.146 10.021 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.706 2.719 12.368 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.082 3.438 9.092 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.897 3.268 13.940 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.271 3.987 10.652 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.587 3.466 14.100 1.00 0.00 H new ATOM 595 N SER A 37 -10.186 1.034 8.912 1.00 0.00 N ATOM 596 CA SER A 37 -11.353 1.102 8.057 1.00 0.00 C ATOM 597 C SER A 37 -12.203 2.301 8.468 1.00 0.00 C ATOM 598 O SER A 37 -12.824 2.301 9.534 1.00 0.00 O ATOM 599 CB SER A 37 -12.145 -0.206 8.132 1.00 0.00 C ATOM 600 OG SER A 37 -12.205 -0.696 9.460 1.00 0.00 O ATOM 0 H SER A 37 -10.398 0.976 9.908 1.00 0.00 H new ATOM 0 HA SER A 37 -11.046 1.234 7.019 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.155 -0.044 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.681 -0.952 7.487 1.00 0.00 H new ATOM 0 HG SER A 37 -12.718 -1.531 9.478 1.00 0.00 H new ATOM 606 N LEU A 38 -12.198 3.340 7.637 1.00 0.00 N ATOM 607 CA LEU A 38 -12.850 4.593 7.990 1.00 0.00 C ATOM 608 C LEU A 38 -14.190 4.761 7.286 1.00 0.00 C ATOM 609 O LEU A 38 -14.709 5.870 7.184 1.00 0.00 O ATOM 610 CB LEU A 38 -11.938 5.798 7.699 1.00 0.00 C ATOM 611 CG LEU A 38 -11.224 5.811 6.342 1.00 0.00 C ATOM 612 CD1 LEU A 38 -10.953 7.245 5.911 1.00 0.00 C ATOM 613 CD2 LEU A 38 -9.909 5.043 6.420 1.00 0.00 C ATOM 0 H LEU A 38 -11.752 3.337 6.720 1.00 0.00 H new ATOM 0 HA LEU A 38 -13.043 4.554 9.062 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.538 6.705 7.776 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.181 5.849 8.482 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.870 5.328 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.446 7.245 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.897 7.784 5.825 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.322 7.735 6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.417 5.064 5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.261 5.506 7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.107 4.010 6.704 1.00 0.00 H new ATOM 625 N GLY A 39 -14.743 3.665 6.793 1.00 0.00 N ATOM 626 CA GLY A 39 -16.094 3.696 6.266 1.00 0.00 C ATOM 627 C GLY A 39 -16.156 3.244 4.830 1.00 0.00 C ATOM 628 O GLY A 39 -16.872 2.303 4.496 1.00 0.00 O ATOM 0 H GLY A 39 -14.284 2.755 6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.734 3.057 6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.489 4.709 6.344 1.00 0.00 H new ATOM 632 N HIS A 40 -15.414 3.925 3.978 1.00 0.00 N ATOM 633 CA HIS A 40 -15.340 3.564 2.573 1.00 0.00 C ATOM 634 C HIS A 40 -14.013 2.881 2.289 1.00 0.00 C ATOM 635 O HIS A 40 -13.909 1.657 2.270 1.00 0.00 O ATOM 636 CB HIS A 40 -15.473 4.806 1.684 1.00 0.00 C ATOM 637 CG HIS A 40 -16.823 5.447 1.706 1.00 0.00 C ATOM 638 ND1 HIS A 40 -17.230 6.320 2.689 1.00 0.00 N ATOM 639 CD2 HIS A 40 -17.856 5.346 0.844 1.00 0.00 C ATOM 640 CE1 HIS A 40 -18.456 6.728 2.430 1.00 0.00 C ATOM 641 NE2 HIS A 40 -18.862 6.151 1.316 1.00 0.00 N ATOM 0 H HIS A 40 -14.851 4.736 4.235 1.00 0.00 H new ATOM 0 HA HIS A 40 -16.162 2.884 2.349 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.731 5.541 1.997 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -15.234 4.529 0.657 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -17.886 4.743 -0.052 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -19.031 7.418 3.029 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -19.774 6.282 0.877 1.00 0.00 H new ATOM 650 N TYR A 41 -13.002 3.704 2.081 1.00 0.00 N ATOM 651 CA TYR A 41 -11.653 3.240 1.805 1.00 0.00 C ATOM 652 C TYR A 41 -10.921 2.918 3.105 1.00 0.00 C ATOM 653 O TYR A 41 -11.314 3.389 4.173 1.00 0.00 O ATOM 654 CB TYR A 41 -10.898 4.300 0.990 1.00 0.00 C ATOM 655 CG TYR A 41 -11.442 5.703 1.168 1.00 0.00 C ATOM 656 CD1 TYR A 41 -10.969 6.534 2.173 1.00 0.00 C ATOM 657 CD2 TYR A 41 -12.437 6.192 0.328 1.00 0.00 C ATOM 658 CE1 TYR A 41 -11.472 7.811 2.339 1.00 0.00 C ATOM 659 CE2 TYR A 41 -12.943 7.466 0.489 1.00 0.00 C ATOM 660 CZ TYR A 41 -12.458 8.270 1.494 1.00 0.00 C ATOM 661 OH TYR A 41 -12.969 9.535 1.657 1.00 0.00 O ATOM 0 H TYR A 41 -13.093 4.720 2.099 1.00 0.00 H new ATOM 0 HA TYR A 41 -11.702 2.323 1.218 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -9.847 4.288 1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -10.942 4.034 -0.066 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.195 6.178 2.837 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.820 5.564 -0.463 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -11.094 8.445 3.127 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.716 7.830 -0.171 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.655 9.701 0.977 1.00 0.00 H new ATOM 671 N PRO A 42 -9.869 2.091 3.037 1.00 0.00 N ATOM 672 CA PRO A 42 -9.046 1.765 4.187 1.00 0.00 C ATOM 673 C PRO A 42 -7.821 2.676 4.312 1.00 0.00 C ATOM 674 O PRO A 42 -7.519 3.465 3.415 1.00 0.00 O ATOM 675 CB PRO A 42 -8.621 0.322 3.896 1.00 0.00 C ATOM 676 CG PRO A 42 -8.739 0.143 2.407 1.00 0.00 C ATOM 677 CD PRO A 42 -9.410 1.375 1.844 1.00 0.00 C ATOM 0 HA PRO A 42 -9.579 1.893 5.129 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.599 0.142 4.230 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.259 -0.386 4.425 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.754 0.006 1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.321 -0.749 2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.716 1.977 1.257 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.241 1.115 1.188 1.00 0.00 H new ATOM 685 N GLY A 43 -7.127 2.563 5.434 1.00 0.00 N ATOM 686 CA GLY A 43 -5.911 3.325 5.650 1.00 0.00 C ATOM 687 C GLY A 43 -4.860 2.474 6.322 1.00 0.00 C ATOM 688 O GLY A 43 -5.197 1.551 7.046 1.00 0.00 O ATOM 0 H GLY A 43 -7.386 1.951 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.533 3.693 4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.128 4.198 6.266 1.00 0.00 H new ATOM 692 N ALA A 44 -3.594 2.771 6.106 1.00 0.00 N ATOM 693 CA ALA A 44 -2.533 1.923 6.632 1.00 0.00 C ATOM 694 C ALA A 44 -1.395 2.760 7.191 1.00 0.00 C ATOM 695 O ALA A 44 -1.046 3.789 6.617 1.00 0.00 O ATOM 696 CB ALA A 44 -2.029 0.988 5.547 1.00 0.00 C ATOM 0 H ALA A 44 -3.273 3.582 5.577 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.940 1.326 7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.236 0.358 5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.849 0.361 5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.640 1.574 4.714 1.00 0.00 H new ATOM 702 N VAL A 45 -0.817 2.315 8.305 1.00 0.00 N ATOM 703 CA VAL A 45 0.239 3.069 8.984 1.00 0.00 C ATOM 704 C VAL A 45 1.186 2.118 9.706 1.00 0.00 C ATOM 705 O VAL A 45 0.852 0.949 9.907 1.00 0.00 O ATOM 706 CB VAL A 45 -0.318 4.070 10.032 1.00 0.00 C ATOM 707 CG1 VAL A 45 -1.289 5.062 9.408 1.00 0.00 C ATOM 708 CG2 VAL A 45 -0.958 3.331 11.199 1.00 0.00 C ATOM 0 H VAL A 45 -1.062 1.435 8.759 1.00 0.00 H new ATOM 0 HA VAL A 45 0.759 3.629 8.207 1.00 0.00 H new ATOM 0 HB VAL A 45 0.524 4.646 10.415 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.655 5.744 10.175 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.779 5.631 8.630 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.129 4.523 8.971 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.341 4.053 11.921 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.778 2.714 10.833 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.213 2.697 11.680 1.00 0.00 H new ATOM 718 N PRO A 46 2.381 2.600 10.097 1.00 0.00 N ATOM 719 CA PRO A 46 3.314 1.824 10.918 1.00 0.00 C ATOM 720 C PRO A 46 2.747 1.559 12.310 1.00 0.00 C ATOM 721 O PRO A 46 2.244 2.467 12.974 1.00 0.00 O ATOM 722 CB PRO A 46 4.564 2.715 11.008 1.00 0.00 C ATOM 723 CG PRO A 46 4.406 3.722 9.920 1.00 0.00 C ATOM 724 CD PRO A 46 2.928 3.924 9.760 1.00 0.00 C ATOM 0 HA PRO A 46 3.519 0.844 10.488 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.635 3.197 11.983 1.00 0.00 H new ATOM 0 HB3 PRO A 46 5.474 2.131 10.874 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.903 4.657 10.178 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.855 3.368 8.992 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.551 4.699 10.427 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.668 4.223 8.745 1.00 0.00 H new ATOM 732 N GLY A 47 2.830 0.312 12.739 1.00 0.00 N ATOM 733 CA GLY A 47 2.299 -0.082 14.026 1.00 0.00 C ATOM 734 C GLY A 47 2.702 -1.496 14.391 1.00 0.00 C ATOM 735 O GLY A 47 3.888 -1.824 14.403 1.00 0.00 O ATOM 0 H GLY A 47 3.262 -0.446 12.210 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.655 0.607 14.792 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.212 -0.007 14.009 1.00 0.00 H new ATOM 739 N ASN A 48 1.720 -2.344 14.662 1.00 0.00 N ATOM 740 CA ASN A 48 1.980 -3.723 15.055 1.00 0.00 C ATOM 741 C ASN A 48 0.981 -4.655 14.388 1.00 0.00 C ATOM 742 O ASN A 48 -0.108 -4.889 14.909 1.00 0.00 O ATOM 743 CB ASN A 48 1.904 -3.889 16.578 1.00 0.00 C ATOM 744 CG ASN A 48 2.977 -3.114 17.321 1.00 0.00 C ATOM 745 OD1 ASN A 48 2.786 -1.949 17.676 1.00 0.00 O ATOM 746 ND2 ASN A 48 4.109 -3.752 17.576 1.00 0.00 N ATOM 0 H ASN A 48 0.731 -2.100 14.617 1.00 0.00 H new ATOM 0 HA ASN A 48 2.989 -3.979 14.731 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.924 -3.561 16.924 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.992 -4.947 16.826 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.858 -3.279 18.082 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.232 -4.716 17.267 1.00 0.00 H new ATOM 753 N GLY A 49 1.336 -5.139 13.213 1.00 0.00 N ATOM 754 CA GLY A 49 0.481 -6.069 12.501 1.00 0.00 C ATOM 755 C GLY A 49 1.088 -6.482 11.181 1.00 0.00 C ATOM 756 O GLY A 49 2.039 -5.857 10.720 1.00 0.00 O ATOM 0 H GLY A 49 2.205 -4.905 12.734 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.311 -6.952 13.116 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.492 -5.610 12.327 1.00 0.00 H new ATOM 760 N THR A 50 0.553 -7.527 10.573 1.00 0.00 N ATOM 761 CA THR A 50 1.073 -8.007 9.306 1.00 0.00 C ATOM 762 C THR A 50 0.079 -7.718 8.186 1.00 0.00 C ATOM 763 O THR A 50 -0.943 -8.392 8.074 1.00 0.00 O ATOM 764 CB THR A 50 1.345 -9.524 9.350 1.00 0.00 C ATOM 765 OG1 THR A 50 1.972 -9.887 10.591 1.00 0.00 O ATOM 766 CG2 THR A 50 2.238 -9.943 8.191 1.00 0.00 C ATOM 0 H THR A 50 -0.239 -8.058 10.936 1.00 0.00 H new ATOM 0 HA THR A 50 2.011 -7.485 9.118 1.00 0.00 H new ATOM 0 HB THR A 50 0.388 -10.039 9.267 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.819 -9.403 10.683 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.418 -11.017 8.240 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.748 -9.700 7.248 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.188 -9.413 8.254 1.00 0.00 H new ATOM 774 N VAL A 51 0.381 -6.735 7.348 1.00 0.00 N ATOM 775 CA VAL A 51 -0.531 -6.352 6.286 1.00 0.00 C ATOM 776 C VAL A 51 -0.353 -7.277 5.095 1.00 0.00 C ATOM 777 O VAL A 51 0.634 -7.189 4.365 1.00 0.00 O ATOM 778 CB VAL A 51 -0.318 -4.889 5.846 1.00 0.00 C ATOM 779 CG1 VAL A 51 -1.275 -4.511 4.726 1.00 0.00 C ATOM 780 CG2 VAL A 51 -0.488 -3.950 7.027 1.00 0.00 C ATOM 0 H VAL A 51 1.245 -6.194 7.385 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.546 -6.439 6.674 1.00 0.00 H new ATOM 0 HB VAL A 51 0.700 -4.795 5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.103 -3.475 4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.106 -5.162 3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.303 -4.625 5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.334 -2.922 6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.494 -4.055 7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.242 -4.198 7.797 1.00 0.00 H new ATOM 790 N HIS A 52 -1.315 -8.171 4.923 1.00 0.00 N ATOM 791 CA HIS A 52 -1.260 -9.204 3.898 1.00 0.00 C ATOM 792 C HIS A 52 -1.645 -8.630 2.531 1.00 0.00 C ATOM 793 O HIS A 52 -2.659 -9.004 1.943 1.00 0.00 O ATOM 794 CB HIS A 52 -2.184 -10.362 4.311 1.00 0.00 C ATOM 795 CG HIS A 52 -2.228 -11.515 3.353 1.00 0.00 C ATOM 796 ND1 HIS A 52 -1.135 -12.299 3.058 1.00 0.00 N ATOM 797 CD2 HIS A 52 -3.250 -12.006 2.616 1.00 0.00 C ATOM 798 CE1 HIS A 52 -1.481 -13.219 2.178 1.00 0.00 C ATOM 799 NE2 HIS A 52 -2.760 -13.066 1.888 1.00 0.00 N ATOM 0 H HIS A 52 -2.160 -8.201 5.493 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.242 -9.583 3.807 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.864 -10.732 5.285 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.195 -9.973 4.434 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -0.203 -12.186 3.458 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -4.264 -11.635 2.601 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.827 -13.972 1.764 1.00 0.00 H new ATOM 808 N GLY A 53 -0.818 -7.721 2.033 1.00 0.00 N ATOM 809 CA GLY A 53 -1.123 -7.043 0.792 1.00 0.00 C ATOM 810 C GLY A 53 -0.386 -7.616 -0.402 1.00 0.00 C ATOM 811 O GLY A 53 0.303 -8.635 -0.299 1.00 0.00 O ATOM 0 H GLY A 53 0.061 -7.441 2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.196 -7.100 0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.872 -5.987 0.892 1.00 0.00 H new ATOM 815 N GLU A 54 -0.531 -6.946 -1.534 1.00 0.00 N ATOM 816 CA GLU A 54 0.052 -7.399 -2.785 1.00 0.00 C ATOM 817 C GLU A 54 0.741 -6.219 -3.470 1.00 0.00 C ATOM 818 O GLU A 54 0.241 -5.094 -3.418 1.00 0.00 O ATOM 819 CB GLU A 54 -1.060 -7.983 -3.666 1.00 0.00 C ATOM 820 CG GLU A 54 -0.586 -8.942 -4.746 1.00 0.00 C ATOM 821 CD GLU A 54 -1.727 -9.769 -5.320 1.00 0.00 C ATOM 822 OE1 GLU A 54 -2.530 -9.230 -6.112 1.00 0.00 O ATOM 823 OE2 GLU A 54 -1.831 -10.964 -4.968 1.00 0.00 O ATOM 0 H GLU A 54 -1.055 -6.074 -1.611 1.00 0.00 H new ATOM 0 HA GLU A 54 0.797 -8.175 -2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.774 -8.503 -3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.596 -7.161 -4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.110 -8.377 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.171 -9.608 -4.332 1.00 0.00 H new ATOM 830 N VAL A 55 1.894 -6.458 -4.081 1.00 0.00 N ATOM 831 CA VAL A 55 2.662 -5.370 -4.694 1.00 0.00 C ATOM 832 C VAL A 55 2.575 -5.425 -6.219 1.00 0.00 C ATOM 833 O VAL A 55 2.788 -6.477 -6.830 1.00 0.00 O ATOM 834 CB VAL A 55 4.144 -5.396 -4.248 1.00 0.00 C ATOM 835 CG1 VAL A 55 4.927 -4.227 -4.839 1.00 0.00 C ATOM 836 CG2 VAL A 55 4.235 -5.372 -2.733 1.00 0.00 C ATOM 0 H VAL A 55 2.318 -7.382 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 55 2.219 -4.435 -4.351 1.00 0.00 H new ATOM 0 HB VAL A 55 4.588 -6.319 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.963 -4.277 -4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.894 -4.280 -5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.484 -3.288 -4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.282 -5.391 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.764 -4.465 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.724 -6.244 -2.324 1.00 0.00 H new ATOM 846 N TYR A 56 2.261 -4.287 -6.828 1.00 0.00 N ATOM 847 CA TYR A 56 2.076 -4.217 -8.272 1.00 0.00 C ATOM 848 C TYR A 56 2.966 -3.168 -8.911 1.00 0.00 C ATOM 849 O TYR A 56 3.312 -2.160 -8.292 1.00 0.00 O ATOM 850 CB TYR A 56 0.620 -3.897 -8.613 1.00 0.00 C ATOM 851 CG TYR A 56 -0.275 -5.106 -8.656 1.00 0.00 C ATOM 852 CD1 TYR A 56 -0.669 -5.742 -7.492 1.00 0.00 C ATOM 853 CD2 TYR A 56 -0.716 -5.618 -9.868 1.00 0.00 C ATOM 854 CE1 TYR A 56 -1.482 -6.852 -7.530 1.00 0.00 C ATOM 855 CE2 TYR A 56 -1.529 -6.730 -9.917 1.00 0.00 C ATOM 856 CZ TYR A 56 -1.911 -7.344 -8.743 1.00 0.00 C ATOM 857 OH TYR A 56 -2.711 -8.462 -8.778 1.00 0.00 O ATOM 0 H TYR A 56 2.129 -3.399 -6.343 1.00 0.00 H new ATOM 0 HA TYR A 56 2.349 -5.195 -8.669 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.230 -3.194 -7.876 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.585 -3.396 -9.581 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.333 -5.361 -6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.417 -5.137 -10.788 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.782 -7.335 -6.612 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.864 -7.117 -10.868 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.764 -8.854 -7.882 1.00 0.00 H new ATOM 867 N ARG A 57 3.325 -3.418 -10.160 1.00 0.00 N ATOM 868 CA ARG A 57 4.031 -2.443 -10.968 1.00 0.00 C ATOM 869 C ARG A 57 3.089 -1.898 -12.027 1.00 0.00 C ATOM 870 O ARG A 57 2.765 -2.593 -12.990 1.00 0.00 O ATOM 871 CB ARG A 57 5.248 -3.073 -11.650 1.00 0.00 C ATOM 872 CG ARG A 57 6.092 -2.073 -12.431 1.00 0.00 C ATOM 873 CD ARG A 57 6.265 -2.482 -13.888 1.00 0.00 C ATOM 874 NE ARG A 57 4.997 -2.492 -14.620 1.00 0.00 N ATOM 875 CZ ARG A 57 4.903 -2.476 -15.950 1.00 0.00 C ATOM 876 NH1 ARG A 57 6.001 -2.450 -16.697 1.00 0.00 N ATOM 877 NH2 ARG A 57 3.712 -2.485 -16.534 1.00 0.00 N ATOM 0 H ARG A 57 3.135 -4.299 -10.638 1.00 0.00 H new ATOM 0 HA ARG A 57 4.377 -1.639 -10.319 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.871 -3.551 -10.894 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.910 -3.858 -12.327 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.624 -1.090 -12.384 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.072 -1.982 -11.962 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.957 -1.795 -14.375 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.715 -3.474 -13.933 1.00 0.00 H new ATOM 0 HE ARG A 57 4.132 -2.512 -14.079 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.919 -2.442 -16.253 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.926 -2.438 -17.714 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.865 -2.504 -15.965 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.643 -2.473 -17.552 1.00 0.00 H new ATOM 891 N ILE A 58 2.630 -0.678 -11.837 1.00 0.00 N ATOM 892 CA ILE A 58 1.771 -0.043 -12.818 1.00 0.00 C ATOM 893 C ILE A 58 2.507 1.103 -13.496 1.00 0.00 C ATOM 894 O ILE A 58 3.553 1.539 -13.020 1.00 0.00 O ATOM 895 CB ILE A 58 0.434 0.440 -12.197 1.00 0.00 C ATOM 896 CG1 ILE A 58 0.656 1.237 -10.908 1.00 0.00 C ATOM 897 CG2 ILE A 58 -0.477 -0.744 -11.923 1.00 0.00 C ATOM 898 CD1 ILE A 58 0.813 2.725 -11.125 1.00 0.00 C ATOM 0 H ILE A 58 2.835 -0.108 -11.017 1.00 0.00 H new ATOM 0 HA ILE A 58 1.516 -0.790 -13.570 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.040 1.104 -12.920 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.185 1.065 -10.237 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.546 0.857 -10.407 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.412 -0.391 -11.487 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.686 -1.266 -12.857 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.012 -1.426 -11.228 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.966 3.218 -10.165 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.672 2.910 -11.770 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.086 3.121 -11.597 1.00 0.00 H new ATOM 910 N ASP A 59 1.990 1.538 -14.630 1.00 0.00 N ATOM 911 CA ASP A 59 2.561 2.649 -15.388 1.00 0.00 C ATOM 912 C ASP A 59 2.751 3.900 -14.520 1.00 0.00 C ATOM 913 O ASP A 59 1.972 4.156 -13.601 1.00 0.00 O ATOM 914 CB ASP A 59 1.670 2.955 -16.589 1.00 0.00 C ATOM 915 CG ASP A 59 1.988 4.285 -17.220 1.00 0.00 C ATOM 916 OD1 ASP A 59 3.103 4.443 -17.758 1.00 0.00 O ATOM 917 OD2 ASP A 59 1.125 5.182 -17.167 1.00 0.00 O ATOM 0 H ASP A 59 1.158 1.132 -15.058 1.00 0.00 H new ATOM 0 HA ASP A 59 3.551 2.352 -15.734 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.785 2.167 -17.333 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.626 2.946 -16.275 1.00 0.00 H new ATOM 922 N ASN A 60 3.791 4.676 -14.814 1.00 0.00 N ATOM 923 CA ASN A 60 4.107 5.870 -14.030 1.00 0.00 C ATOM 924 C ASN A 60 3.005 6.927 -14.147 1.00 0.00 C ATOM 925 O ASN A 60 2.616 7.539 -13.150 1.00 0.00 O ATOM 926 CB ASN A 60 5.461 6.470 -14.439 1.00 0.00 C ATOM 927 CG ASN A 60 5.583 6.730 -15.928 1.00 0.00 C ATOM 928 OD1 ASN A 60 5.206 7.793 -16.422 1.00 0.00 O ATOM 929 ND2 ASN A 60 6.133 5.771 -16.649 1.00 0.00 N ATOM 0 H ASN A 60 4.430 4.501 -15.589 1.00 0.00 H new ATOM 0 HA ASN A 60 4.171 5.556 -12.988 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.612 7.406 -13.901 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.258 5.793 -14.130 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.259 5.896 -17.653 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.432 4.905 -16.202 1.00 0.00 H new ATOM 936 N ALA A 61 2.484 7.123 -15.355 1.00 0.00 N ATOM 937 CA ALA A 61 1.425 8.103 -15.573 1.00 0.00 C ATOM 938 C ALA A 61 0.148 7.660 -14.876 1.00 0.00 C ATOM 939 O ALA A 61 -0.603 8.476 -14.341 1.00 0.00 O ATOM 940 CB ALA A 61 1.177 8.309 -17.061 1.00 0.00 C ATOM 0 H ALA A 61 2.776 6.620 -16.193 1.00 0.00 H new ATOM 0 HA ALA A 61 1.743 9.055 -15.148 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.384 9.044 -17.199 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.090 8.667 -17.536 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.879 7.364 -17.515 1.00 0.00 H new ATOM 946 N THR A 62 -0.088 6.356 -14.898 1.00 0.00 N ATOM 947 CA THR A 62 -1.190 5.748 -14.164 1.00 0.00 C ATOM 948 C THR A 62 -1.106 6.077 -12.662 1.00 0.00 C ATOM 949 O THR A 62 -2.124 6.192 -11.979 1.00 0.00 O ATOM 950 CB THR A 62 -1.202 4.219 -14.380 1.00 0.00 C ATOM 951 OG1 THR A 62 -1.258 3.927 -15.786 1.00 0.00 O ATOM 952 CG2 THR A 62 -2.389 3.574 -13.693 1.00 0.00 C ATOM 0 H THR A 62 0.478 5.690 -15.424 1.00 0.00 H new ATOM 0 HA THR A 62 -2.121 6.164 -14.549 1.00 0.00 H new ATOM 0 HB THR A 62 -0.287 3.813 -13.947 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.580 3.011 -15.917 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.368 2.498 -13.864 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.341 3.772 -12.622 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.313 3.988 -14.098 1.00 0.00 H new ATOM 960 N LEU A 63 0.117 6.254 -12.164 1.00 0.00 N ATOM 961 CA LEU A 63 0.332 6.608 -10.763 1.00 0.00 C ATOM 962 C LEU A 63 -0.215 7.998 -10.508 1.00 0.00 C ATOM 963 O LEU A 63 -0.973 8.222 -9.563 1.00 0.00 O ATOM 964 CB LEU A 63 1.819 6.578 -10.392 1.00 0.00 C ATOM 965 CG LEU A 63 2.120 6.995 -8.948 1.00 0.00 C ATOM 966 CD1 LEU A 63 1.870 5.841 -7.989 1.00 0.00 C ATOM 967 CD2 LEU A 63 3.539 7.521 -8.812 1.00 0.00 C ATOM 0 H LEU A 63 0.973 6.158 -12.710 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.186 5.873 -10.147 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.201 5.570 -10.553 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.363 7.237 -11.069 1.00 0.00 H new ATOM 0 HG LEU A 63 1.441 7.806 -8.685 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.090 6.160 -6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.827 5.533 -8.055 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.514 5.002 -8.254 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.723 7.809 -7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.245 6.743 -9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.669 8.389 -9.458 1.00 0.00 H new ATOM 979 N ALA A 64 0.175 8.927 -11.377 1.00 0.00 N ATOM 980 CA ALA A 64 -0.306 10.297 -11.301 1.00 0.00 C ATOM 981 C ALA A 64 -1.824 10.340 -11.396 1.00 0.00 C ATOM 982 O ALA A 64 -2.460 11.226 -10.833 1.00 0.00 O ATOM 983 CB ALA A 64 0.314 11.143 -12.402 1.00 0.00 C ATOM 0 H ALA A 64 0.825 8.752 -12.143 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.008 10.708 -10.337 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.058 12.165 -12.329 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.399 11.143 -12.294 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.046 10.728 -13.374 1.00 0.00 H new ATOM 989 N GLU A 65 -2.398 9.369 -12.101 1.00 0.00 N ATOM 990 CA GLU A 65 -3.848 9.287 -12.231 1.00 0.00 C ATOM 991 C GLU A 65 -4.478 8.933 -10.883 1.00 0.00 C ATOM 992 O GLU A 65 -5.432 9.576 -10.440 1.00 0.00 O ATOM 993 CB GLU A 65 -4.232 8.252 -13.297 1.00 0.00 C ATOM 994 CG GLU A 65 -5.732 8.109 -13.508 1.00 0.00 C ATOM 995 CD GLU A 65 -6.080 7.120 -14.607 1.00 0.00 C ATOM 996 OE1 GLU A 65 -5.908 5.899 -14.400 1.00 0.00 O ATOM 997 OE2 GLU A 65 -6.525 7.557 -15.689 1.00 0.00 O ATOM 0 H GLU A 65 -1.885 8.634 -12.587 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.228 10.259 -12.546 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.767 8.530 -14.243 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.821 7.283 -13.013 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.196 7.788 -12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.154 9.083 -13.755 1.00 0.00 H new ATOM 1004 N LEU A 66 -3.914 7.926 -10.229 1.00 0.00 N ATOM 1005 CA LEU A 66 -4.392 7.482 -8.926 1.00 0.00 C ATOM 1006 C LEU A 66 -4.219 8.580 -7.879 1.00 0.00 C ATOM 1007 O LEU A 66 -5.143 8.873 -7.118 1.00 0.00 O ATOM 1008 CB LEU A 66 -3.645 6.207 -8.504 1.00 0.00 C ATOM 1009 CG LEU A 66 -3.981 5.655 -7.113 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -3.868 4.141 -7.104 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -3.045 6.235 -6.065 1.00 0.00 C ATOM 0 H LEU A 66 -3.117 7.397 -10.584 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.456 7.259 -9.002 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.851 5.430 -9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.574 6.408 -8.544 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.005 5.943 -6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.109 3.764 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.563 3.720 -7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.850 3.851 -7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.300 5.831 -5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.016 5.971 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.146 7.320 -6.047 1.00 0.00 H new ATOM 1023 N ASP A 67 -3.037 9.185 -7.852 1.00 0.00 N ATOM 1024 CA ASP A 67 -2.715 10.211 -6.864 1.00 0.00 C ATOM 1025 C ASP A 67 -3.643 11.408 -7.007 1.00 0.00 C ATOM 1026 O ASP A 67 -4.232 11.878 -6.028 1.00 0.00 O ATOM 1027 CB ASP A 67 -1.265 10.665 -7.029 1.00 0.00 C ATOM 1028 CG ASP A 67 -0.805 11.558 -5.896 1.00 0.00 C ATOM 1029 OD1 ASP A 67 -0.352 11.027 -4.857 1.00 0.00 O ATOM 1030 OD2 ASP A 67 -0.881 12.796 -6.043 1.00 0.00 O ATOM 0 H ASP A 67 -2.281 8.982 -8.506 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.849 9.780 -5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.618 9.790 -7.083 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.160 11.199 -7.974 1.00 0.00 H new ATOM 1035 N ALA A 68 -3.788 11.870 -8.242 1.00 0.00 N ATOM 1036 CA ALA A 68 -4.608 13.033 -8.548 1.00 0.00 C ATOM 1037 C ALA A 68 -6.075 12.793 -8.209 1.00 0.00 C ATOM 1038 O ALA A 68 -6.814 13.728 -7.917 1.00 0.00 O ATOM 1039 CB ALA A 68 -4.458 13.393 -10.015 1.00 0.00 C ATOM 0 H ALA A 68 -3.342 11.450 -9.057 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.262 13.863 -7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.073 14.264 -10.241 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.414 13.621 -10.229 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.779 12.553 -10.631 1.00 0.00 H new ATOM 1045 N LEU A 69 -6.495 11.541 -8.256 1.00 0.00 N ATOM 1046 CA LEU A 69 -7.869 11.194 -7.929 1.00 0.00 C ATOM 1047 C LEU A 69 -8.068 11.005 -6.433 1.00 0.00 C ATOM 1048 O LEU A 69 -9.135 11.308 -5.897 1.00 0.00 O ATOM 1049 CB LEU A 69 -8.289 9.926 -8.672 1.00 0.00 C ATOM 1050 CG LEU A 69 -8.825 10.165 -10.078 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -9.130 8.848 -10.772 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -10.067 11.036 -10.006 1.00 0.00 C ATOM 0 H LEU A 69 -5.907 10.749 -8.516 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.497 12.027 -8.246 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.432 9.255 -8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.054 9.414 -8.088 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.064 10.679 -10.665 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.511 9.045 -11.774 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.219 8.253 -10.841 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.879 8.300 -10.200 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.450 11.207 -11.012 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.828 10.535 -9.408 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.815 11.992 -9.547 1.00 0.00 H new ATOM 1064 N ARG A 70 -7.046 10.511 -5.760 1.00 0.00 N ATOM 1065 CA ARG A 70 -7.185 10.122 -4.368 1.00 0.00 C ATOM 1066 C ARG A 70 -6.979 11.293 -3.407 1.00 0.00 C ATOM 1067 O ARG A 70 -7.814 11.548 -2.539 1.00 0.00 O ATOM 1068 CB ARG A 70 -6.198 9.003 -4.032 1.00 0.00 C ATOM 1069 CG ARG A 70 -6.349 8.452 -2.622 1.00 0.00 C ATOM 1070 CD ARG A 70 -5.339 7.353 -2.347 1.00 0.00 C ATOM 1071 NE ARG A 70 -5.389 6.298 -3.357 1.00 0.00 N ATOM 1072 CZ ARG A 70 -5.267 4.998 -3.086 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -5.118 4.587 -1.834 1.00 0.00 N ATOM 1074 NH2 ARG A 70 -5.303 4.109 -4.065 1.00 0.00 N ATOM 0 H ARG A 70 -6.115 10.370 -6.151 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.208 9.769 -4.239 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.329 8.190 -4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.182 9.377 -4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.219 9.257 -1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.358 8.063 -2.488 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.337 7.781 -2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.530 6.923 -1.364 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.526 6.573 -4.330 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.096 5.266 -1.073 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.025 3.592 -1.632 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.424 4.417 -5.030 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.209 3.115 -3.855 1.00 0.00 H new ATOM 1088 N THR A 71 -5.870 12.004 -3.556 1.00 0.00 N ATOM 1089 CA THR A 71 -5.479 12.990 -2.557 1.00 0.00 C ATOM 1090 C THR A 71 -5.473 14.409 -3.132 1.00 0.00 C ATOM 1091 O THR A 71 -4.785 15.295 -2.621 1.00 0.00 O ATOM 1092 CB THR A 71 -4.094 12.640 -1.951 1.00 0.00 C ATOM 1093 OG1 THR A 71 -3.803 13.474 -0.816 1.00 0.00 O ATOM 1094 CG2 THR A 71 -2.985 12.772 -2.987 1.00 0.00 C ATOM 0 H THR A 71 -5.232 11.919 -4.348 1.00 0.00 H new ATOM 0 HA THR A 71 -6.224 12.961 -1.762 1.00 0.00 H new ATOM 0 HB THR A 71 -4.138 11.601 -1.623 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.636 13.695 -0.350 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.028 12.520 -2.530 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.180 12.094 -3.818 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.952 13.797 -3.356 1.00 0.00 H new ATOM 1140 N GLU A 75 -5.349 14.691 1.203 1.00 0.00 N ATOM 1141 CA GLU A 75 -6.078 13.716 2.003 1.00 0.00 C ATOM 1142 C GLU A 75 -5.111 12.812 2.769 1.00 0.00 C ATOM 1143 O GLU A 75 -5.279 12.581 3.965 1.00 0.00 O ATOM 1144 CB GLU A 75 -6.992 12.875 1.107 1.00 0.00 C ATOM 1145 CG GLU A 75 -7.880 11.903 1.865 1.00 0.00 C ATOM 1146 CD GLU A 75 -8.878 12.593 2.769 1.00 0.00 C ATOM 1147 OE1 GLU A 75 -9.697 13.388 2.263 1.00 0.00 O ATOM 1148 OE2 GLU A 75 -8.870 12.322 3.987 1.00 0.00 O ATOM 0 HA GLU A 75 -6.690 14.254 2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.622 13.543 0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.377 12.315 0.403 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.417 11.278 1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.255 11.240 2.463 1.00 0.00 H new ATOM 1155 N TYR A 76 -4.094 12.307 2.075 1.00 0.00 N ATOM 1156 CA TYR A 76 -3.134 11.392 2.685 1.00 0.00 C ATOM 1157 C TYR A 76 -1.709 11.823 2.385 1.00 0.00 C ATOM 1158 O TYR A 76 -1.483 12.746 1.600 1.00 0.00 O ATOM 1159 CB TYR A 76 -3.341 9.963 2.175 1.00 0.00 C ATOM 1160 CG TYR A 76 -4.708 9.397 2.471 1.00 0.00 C ATOM 1161 CD1 TYR A 76 -5.107 9.143 3.777 1.00 0.00 C ATOM 1162 CD2 TYR A 76 -5.597 9.114 1.444 1.00 0.00 C ATOM 1163 CE1 TYR A 76 -6.357 8.624 4.050 1.00 0.00 C ATOM 1164 CE2 TYR A 76 -6.848 8.596 1.708 1.00 0.00 C ATOM 1165 CZ TYR A 76 -7.223 8.353 3.013 1.00 0.00 C ATOM 1166 OH TYR A 76 -8.467 7.838 3.281 1.00 0.00 O ATOM 0 H TYR A 76 -3.914 12.515 1.093 1.00 0.00 H new ATOM 0 HA TYR A 76 -3.299 11.418 3.762 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.178 9.946 1.097 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -2.587 9.316 2.622 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.429 9.355 4.591 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.305 9.302 0.421 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.654 8.432 5.070 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.530 8.382 0.898 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.942 7.675 2.439 1.00 0.00 H new ATOM 1176 N ALA A 77 -0.751 11.153 3.011 1.00 0.00 N ATOM 1177 CA ALA A 77 0.651 11.400 2.729 1.00 0.00 C ATOM 1178 C ALA A 77 1.253 10.209 2.003 1.00 0.00 C ATOM 1179 O ALA A 77 0.796 9.074 2.166 1.00 0.00 O ATOM 1180 CB ALA A 77 1.423 11.690 4.006 1.00 0.00 C ATOM 0 H ALA A 77 -0.922 10.436 3.716 1.00 0.00 H new ATOM 0 HA ALA A 77 0.722 12.279 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.470 11.871 3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.005 12.572 4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.348 10.835 4.678 1.00 0.00 H new ATOM 1186 N ARG A 78 2.267 10.470 1.200 1.00 0.00 N ATOM 1187 CA ARG A 78 2.911 9.420 0.432 1.00 0.00 C ATOM 1188 C ARG A 78 4.093 8.852 1.200 1.00 0.00 C ATOM 1189 O ARG A 78 5.097 9.534 1.403 1.00 0.00 O ATOM 1190 CB ARG A 78 3.389 9.955 -0.916 1.00 0.00 C ATOM 1191 CG ARG A 78 2.292 10.571 -1.764 1.00 0.00 C ATOM 1192 CD ARG A 78 2.862 11.128 -3.055 1.00 0.00 C ATOM 1193 NE ARG A 78 1.893 11.934 -3.789 1.00 0.00 N ATOM 1194 CZ ARG A 78 2.078 13.214 -4.100 1.00 0.00 C ATOM 1195 NH1 ARG A 78 3.198 13.834 -3.747 1.00 0.00 N ATOM 1196 NH2 ARG A 78 1.147 13.873 -4.772 1.00 0.00 N ATOM 0 H ARG A 78 2.663 11.400 1.062 1.00 0.00 H new ATOM 0 HA ARG A 78 2.180 8.630 0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.163 10.703 -0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.851 9.141 -1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.534 9.820 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.797 11.366 -1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.739 11.735 -2.830 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.198 10.305 -3.686 1.00 0.00 H new ATOM 0 HE ARG A 78 1.022 11.490 -4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.921 13.329 -3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.335 14.816 -3.988 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.288 13.399 -5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.289 14.855 -5.011 1.00 0.00 H new ATOM 1210 N GLN A 79 3.966 7.609 1.626 1.00 0.00 N ATOM 1211 CA GLN A 79 5.040 6.918 2.316 1.00 0.00 C ATOM 1212 C GLN A 79 5.685 5.930 1.362 1.00 0.00 C ATOM 1213 O GLN A 79 5.115 4.884 1.064 1.00 0.00 O ATOM 1214 CB GLN A 79 4.508 6.168 3.541 1.00 0.00 C ATOM 1215 CG GLN A 79 5.606 5.664 4.468 1.00 0.00 C ATOM 1216 CD GLN A 79 5.075 4.853 5.637 1.00 0.00 C ATOM 1217 OE1 GLN A 79 5.643 4.871 6.728 1.00 0.00 O ATOM 1218 NE2 GLN A 79 3.997 4.119 5.415 1.00 0.00 N ATOM 0 H GLN A 79 3.120 7.052 1.505 1.00 0.00 H new ATOM 0 HA GLN A 79 5.772 7.653 2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.845 6.827 4.101 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.908 5.321 3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.303 5.052 3.896 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.169 6.515 4.850 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.553 4.130 4.497 1.00 0.00 H new ATOM 0 HE22 GLN A 79 3.610 3.542 6.162 1.00 0.00 H new ATOM 1227 N LEU A 80 6.851 6.272 0.858 1.00 0.00 N ATOM 1228 CA LEU A 80 7.544 5.398 -0.064 1.00 0.00 C ATOM 1229 C LEU A 80 8.277 4.316 0.707 1.00 0.00 C ATOM 1230 O LEU A 80 9.182 4.601 1.493 1.00 0.00 O ATOM 1231 CB LEU A 80 8.521 6.180 -0.938 1.00 0.00 C ATOM 1232 CG LEU A 80 9.233 5.342 -1.999 1.00 0.00 C ATOM 1233 CD1 LEU A 80 8.229 4.762 -2.982 1.00 0.00 C ATOM 1234 CD2 LEU A 80 10.262 6.178 -2.732 1.00 0.00 C ATOM 0 H LEU A 80 7.337 7.144 1.069 1.00 0.00 H new ATOM 0 HA LEU A 80 6.806 4.936 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.980 6.987 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.270 6.645 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 80 9.745 4.519 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.754 4.168 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.521 4.129 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.691 5.573 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.760 5.566 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.768 7.019 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.000 6.552 -2.022 1.00 0.00 H new ATOM 1246 N ILE A 81 7.865 3.080 0.497 1.00 0.00 N ATOM 1247 CA ILE A 81 8.470 1.954 1.177 1.00 0.00 C ATOM 1248 C ILE A 81 9.274 1.108 0.203 1.00 0.00 C ATOM 1249 O ILE A 81 8.827 0.807 -0.903 1.00 0.00 O ATOM 1250 CB ILE A 81 7.414 1.086 1.887 1.00 0.00 C ATOM 1251 CG1 ILE A 81 6.305 0.677 0.913 1.00 0.00 C ATOM 1252 CG2 ILE A 81 6.834 1.852 3.067 1.00 0.00 C ATOM 1253 CD1 ILE A 81 5.313 -0.311 1.487 1.00 0.00 C ATOM 0 H ILE A 81 7.110 2.831 -0.142 1.00 0.00 H new ATOM 0 HA ILE A 81 9.142 2.354 1.936 1.00 0.00 H new ATOM 0 HB ILE A 81 7.891 0.177 2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.769 1.571 0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 81 6.760 0.243 0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.087 1.237 3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.631 2.098 3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.368 2.771 2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.561 -0.549 0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.835 -1.222 1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.828 0.126 2.360 1.00 0.00 H new ATOM 1265 N GLN A 82 10.463 0.732 0.619 1.00 0.00 N ATOM 1266 CA GLN A 82 11.376 -0.006 -0.236 1.00 0.00 C ATOM 1267 C GLN A 82 11.095 -1.503 -0.121 1.00 0.00 C ATOM 1268 O GLN A 82 11.484 -2.132 0.862 1.00 0.00 O ATOM 1269 CB GLN A 82 12.822 0.293 0.184 1.00 0.00 C ATOM 1270 CG GLN A 82 13.837 0.296 -0.954 1.00 0.00 C ATOM 1271 CD GLN A 82 13.770 -0.940 -1.827 1.00 0.00 C ATOM 1272 OE1 GLN A 82 14.400 -1.960 -1.541 1.00 0.00 O ATOM 1273 NE2 GLN A 82 13.034 -0.840 -2.921 1.00 0.00 N ATOM 0 H GLN A 82 10.826 0.926 1.552 1.00 0.00 H new ATOM 0 HA GLN A 82 11.233 0.300 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.848 1.265 0.676 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.130 -0.447 0.923 1.00 0.00 H new ATOM 0 HG2 GLN A 82 13.674 1.178 -1.573 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.840 0.382 -0.536 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.529 0.024 -3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.972 -1.627 -3.567 1.00 0.00 H new ATOM 1282 N THR A 83 10.397 -2.074 -1.099 1.00 0.00 N ATOM 1283 CA THR A 83 10.132 -3.506 -1.071 1.00 0.00 C ATOM 1284 C THR A 83 11.156 -4.236 -1.938 1.00 0.00 C ATOM 1285 O THR A 83 11.792 -3.620 -2.794 1.00 0.00 O ATOM 1286 CB THR A 83 8.700 -3.845 -1.558 1.00 0.00 C ATOM 1287 OG1 THR A 83 8.674 -4.009 -2.980 1.00 0.00 O ATOM 1288 CG2 THR A 83 7.718 -2.750 -1.166 1.00 0.00 C ATOM 0 H THR A 83 10.013 -1.579 -1.904 1.00 0.00 H new ATOM 0 HA THR A 83 10.214 -3.835 -0.035 1.00 0.00 H new ATOM 0 HB THR A 83 8.405 -4.779 -1.080 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.519 -3.141 -3.407 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.721 -3.012 -1.519 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.703 -2.646 -0.081 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.026 -1.807 -1.616 1.00 0.00 H new ATOM 1296 N PRO A 84 11.344 -5.551 -1.727 1.00 0.00 N ATOM 1297 CA PRO A 84 12.273 -6.362 -2.531 1.00 0.00 C ATOM 1298 C PRO A 84 11.874 -6.412 -4.006 1.00 0.00 C ATOM 1299 O PRO A 84 12.665 -6.803 -4.867 1.00 0.00 O ATOM 1300 CB PRO A 84 12.175 -7.760 -1.906 1.00 0.00 C ATOM 1301 CG PRO A 84 11.601 -7.539 -0.548 1.00 0.00 C ATOM 1302 CD PRO A 84 10.697 -6.347 -0.672 1.00 0.00 C ATOM 0 HA PRO A 84 13.281 -5.948 -2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.538 -8.414 -2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 84 13.154 -8.235 -1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.048 -8.415 -0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.388 -7.358 0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.683 -6.636 -0.949 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.626 -5.794 0.265 1.00 0.00 H new ATOM 1310 N TYR A 85 10.642 -6.005 -4.287 1.00 0.00 N ATOM 1311 CA TYR A 85 10.132 -5.977 -5.649 1.00 0.00 C ATOM 1312 C TYR A 85 10.162 -4.549 -6.184 1.00 0.00 C ATOM 1313 O TYR A 85 9.655 -4.260 -7.269 1.00 0.00 O ATOM 1314 CB TYR A 85 8.703 -6.530 -5.690 1.00 0.00 C ATOM 1315 CG TYR A 85 8.577 -7.934 -5.136 1.00 0.00 C ATOM 1316 CD1 TYR A 85 8.780 -9.044 -5.947 1.00 0.00 C ATOM 1317 CD2 TYR A 85 8.259 -8.150 -3.800 1.00 0.00 C ATOM 1318 CE1 TYR A 85 8.672 -10.326 -5.443 1.00 0.00 C ATOM 1319 CE2 TYR A 85 8.149 -9.429 -3.289 1.00 0.00 C ATOM 1320 CZ TYR A 85 8.356 -10.513 -4.115 1.00 0.00 C ATOM 1321 OH TYR A 85 8.253 -11.790 -3.609 1.00 0.00 O ATOM 0 H TYR A 85 9.975 -5.688 -3.583 1.00 0.00 H new ATOM 0 HA TYR A 85 10.765 -6.603 -6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.050 -5.866 -5.124 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.350 -6.523 -6.721 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.026 -8.902 -6.989 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.095 -7.303 -3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.835 -11.178 -6.087 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.902 -9.579 -2.248 1.00 0.00 H new ATOM 0 HH TYR A 85 8.025 -11.747 -2.657 1.00 0.00 H new ATOM 1331 N GLY A 86 10.763 -3.657 -5.406 1.00 0.00 N ATOM 1332 CA GLY A 86 10.856 -2.266 -5.791 1.00 0.00 C ATOM 1333 C GLY A 86 10.173 -1.355 -4.793 1.00 0.00 C ATOM 1334 O GLY A 86 9.276 -1.779 -4.070 1.00 0.00 O ATOM 0 H GLY A 86 11.191 -3.878 -4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.905 -1.984 -5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.404 -2.131 -6.774 1.00 0.00 H new ATOM 1338 N SER A 87 10.607 -0.112 -4.728 1.00 0.00 N ATOM 1339 CA SER A 87 10.004 0.852 -3.830 1.00 0.00 C ATOM 1340 C SER A 87 8.566 1.143 -4.252 1.00 0.00 C ATOM 1341 O SER A 87 8.305 1.488 -5.406 1.00 0.00 O ATOM 1342 CB SER A 87 10.835 2.124 -3.827 1.00 0.00 C ATOM 1343 OG SER A 87 12.213 1.831 -3.655 1.00 0.00 O ATOM 0 H SER A 87 11.377 0.255 -5.288 1.00 0.00 H new ATOM 0 HA SER A 87 9.980 0.443 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.688 2.661 -4.764 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.497 2.782 -3.026 1.00 0.00 H new ATOM 0 HG SER A 87 12.728 2.665 -3.658 1.00 0.00 H new ATOM 1349 N ALA A 88 7.643 0.997 -3.316 1.00 0.00 N ATOM 1350 CA ALA A 88 6.228 1.170 -3.596 1.00 0.00 C ATOM 1351 C ALA A 88 5.644 2.284 -2.741 1.00 0.00 C ATOM 1352 O ALA A 88 6.095 2.521 -1.618 1.00 0.00 O ATOM 1353 CB ALA A 88 5.480 -0.133 -3.359 1.00 0.00 C ATOM 0 H ALA A 88 7.852 0.757 -2.347 1.00 0.00 H new ATOM 0 HA ALA A 88 6.115 1.450 -4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.421 0.011 -3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.880 -0.907 -4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.602 -0.439 -2.320 1.00 0.00 H new ATOM 1359 N TRP A 89 4.658 2.977 -3.283 1.00 0.00 N ATOM 1360 CA TRP A 89 4.005 4.065 -2.572 1.00 0.00 C ATOM 1361 C TRP A 89 2.918 3.546 -1.633 1.00 0.00 C ATOM 1362 O TRP A 89 2.010 2.820 -2.045 1.00 0.00 O ATOM 1363 CB TRP A 89 3.407 5.067 -3.561 1.00 0.00 C ATOM 1364 CG TRP A 89 4.435 5.829 -4.322 1.00 0.00 C ATOM 1365 CD1 TRP A 89 4.792 5.643 -5.619 1.00 0.00 C ATOM 1366 CD2 TRP A 89 5.244 6.901 -3.825 1.00 0.00 C ATOM 1367 NE1 TRP A 89 5.771 6.537 -5.966 1.00 0.00 N ATOM 1368 CE2 TRP A 89 6.068 7.320 -4.882 1.00 0.00 C ATOM 1369 CE3 TRP A 89 5.349 7.547 -2.592 1.00 0.00 C ATOM 1370 CZ2 TRP A 89 6.987 8.358 -4.745 1.00 0.00 C ATOM 1371 CZ3 TRP A 89 6.262 8.577 -2.455 1.00 0.00 C ATOM 1372 CH2 TRP A 89 7.071 8.974 -3.526 1.00 0.00 C ATOM 0 H TRP A 89 4.290 2.805 -4.218 1.00 0.00 H new ATOM 0 HA TRP A 89 4.762 4.566 -1.969 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.765 4.535 -4.263 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.773 5.768 -3.018 1.00 0.00 H new ATOM 0 HD1 TRP A 89 4.368 4.901 -6.279 1.00 0.00 H new ATOM 0 HE1 TRP A 89 6.209 6.608 -6.885 1.00 0.00 H new ATOM 0 HE3 TRP A 89 4.729 7.248 -1.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 7.611 8.665 -5.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 6.352 9.084 -1.505 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.775 9.782 -3.388 1.00 0.00 H new ATOM 1383 N MET A 90 3.045 3.905 -0.366 1.00 0.00 N ATOM 1384 CA MET A 90 2.048 3.589 0.645 1.00 0.00 C ATOM 1385 C MET A 90 1.365 4.874 1.109 1.00 0.00 C ATOM 1386 O MET A 90 2.034 5.833 1.472 1.00 0.00 O ATOM 1387 CB MET A 90 2.732 2.908 1.834 1.00 0.00 C ATOM 1388 CG MET A 90 1.780 2.237 2.807 1.00 0.00 C ATOM 1389 SD MET A 90 2.662 1.416 4.149 1.00 0.00 S ATOM 1390 CE MET A 90 1.319 0.585 4.986 1.00 0.00 C ATOM 0 H MET A 90 3.846 4.426 -0.008 1.00 0.00 H new ATOM 0 HA MET A 90 1.299 2.918 0.224 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.431 2.162 1.456 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.319 3.651 2.374 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.099 2.981 3.221 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.169 1.508 2.274 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.690 -0.328 5.451 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.907 1.241 5.753 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.540 0.335 4.265 1.00 0.00 H new ATOM 1400 N TYR A 91 0.043 4.910 1.085 1.00 0.00 N ATOM 1401 CA TYR A 91 -0.677 6.101 1.523 1.00 0.00 C ATOM 1402 C TYR A 91 -1.065 5.991 2.993 1.00 0.00 C ATOM 1403 O TYR A 91 -1.815 5.096 3.386 1.00 0.00 O ATOM 1404 CB TYR A 91 -1.915 6.347 0.655 1.00 0.00 C ATOM 1405 CG TYR A 91 -1.598 6.894 -0.721 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -1.445 8.262 -0.927 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -1.457 6.048 -1.814 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -1.165 8.769 -2.184 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -1.174 6.547 -3.069 1.00 0.00 C ATOM 1410 CZ TYR A 91 -1.032 7.906 -3.250 1.00 0.00 C ATOM 1411 OH TYR A 91 -0.762 8.401 -4.502 1.00 0.00 O ATOM 0 H TYR A 91 -0.550 4.141 0.772 1.00 0.00 H new ATOM 0 HA TYR A 91 -0.009 6.955 1.409 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.463 5.411 0.546 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.575 7.045 1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.546 8.939 -0.092 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.571 4.982 -1.679 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.052 9.833 -2.328 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -1.064 5.875 -3.907 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.767 9.381 -4.475 1.00 0.00 H new ATOM 1421 N VAL A 92 -0.543 6.909 3.794 1.00 0.00 N ATOM 1422 CA VAL A 92 -0.774 6.905 5.231 1.00 0.00 C ATOM 1423 C VAL A 92 -1.839 7.904 5.631 1.00 0.00 C ATOM 1424 O VAL A 92 -1.945 8.994 5.057 1.00 0.00 O ATOM 1425 CB VAL A 92 0.544 7.173 6.007 1.00 0.00 C ATOM 1426 CG1 VAL A 92 0.304 7.855 7.346 1.00 0.00 C ATOM 1427 CG2 VAL A 92 1.270 5.868 6.236 1.00 0.00 C ATOM 0 H VAL A 92 0.049 7.673 3.468 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.136 5.912 5.497 1.00 0.00 H new ATOM 0 HB VAL A 92 1.147 7.847 5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.258 8.019 7.847 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.190 8.813 7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.329 7.222 7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.195 6.057 6.781 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.637 5.197 6.817 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.502 5.407 5.276 1.00 0.00 H new ATOM 1437 N TYR A 93 -2.635 7.485 6.606 1.00 0.00 N ATOM 1438 CA TYR A 93 -3.650 8.316 7.220 1.00 0.00 C ATOM 1439 C TYR A 93 -3.075 9.687 7.564 1.00 0.00 C ATOM 1440 O TYR A 93 -2.028 9.792 8.202 1.00 0.00 O ATOM 1441 CB TYR A 93 -4.175 7.587 8.467 1.00 0.00 C ATOM 1442 CG TYR A 93 -3.953 8.313 9.786 1.00 0.00 C ATOM 1443 CD1 TYR A 93 -4.771 9.364 10.178 1.00 0.00 C ATOM 1444 CD2 TYR A 93 -2.912 7.947 10.634 1.00 0.00 C ATOM 1445 CE1 TYR A 93 -4.561 10.029 11.372 1.00 0.00 C ATOM 1446 CE2 TYR A 93 -2.698 8.607 11.832 1.00 0.00 C ATOM 1447 CZ TYR A 93 -3.525 9.648 12.195 1.00 0.00 C ATOM 1448 OH TYR A 93 -3.317 10.314 13.385 1.00 0.00 O ATOM 0 H TYR A 93 -2.589 6.543 6.995 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.478 8.484 6.531 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -5.244 7.412 8.343 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.697 6.609 8.524 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.587 9.668 9.538 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.260 7.134 10.353 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.208 10.845 11.658 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.887 8.308 12.479 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.548 9.923 13.849 1.00 0.00 H new ATOM 1458 N GLN A 94 -3.737 10.737 7.112 1.00 0.00 N ATOM 1459 CA GLN A 94 -3.227 12.076 7.332 1.00 0.00 C ATOM 1460 C GLN A 94 -4.273 12.960 8.006 1.00 0.00 C ATOM 1461 O GLN A 94 -4.041 14.149 8.233 1.00 0.00 O ATOM 1462 CB GLN A 94 -2.773 12.675 6.002 1.00 0.00 C ATOM 1463 CG GLN A 94 -1.534 13.547 6.122 1.00 0.00 C ATOM 1464 CD GLN A 94 -0.376 12.833 6.807 1.00 0.00 C ATOM 1465 OE1 GLN A 94 0.441 13.463 7.478 1.00 0.00 O ATOM 1466 NE2 GLN A 94 -0.296 11.517 6.644 1.00 0.00 N ATOM 0 H GLN A 94 -4.617 10.690 6.598 1.00 0.00 H new ATOM 0 HA GLN A 94 -2.371 12.021 8.004 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -2.572 11.867 5.298 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.586 13.268 5.583 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -1.222 13.866 5.128 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.782 14.448 6.682 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.992 11.030 6.080 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.462 10.994 7.083 1.00 0.00 H new ATOM 1475 N ARG A 95 -5.419 12.370 8.328 1.00 0.00 N ATOM 1476 CA ARG A 95 -6.473 13.073 9.046 1.00 0.00 C ATOM 1477 C ARG A 95 -7.031 12.176 10.150 1.00 0.00 C ATOM 1478 O ARG A 95 -7.232 10.986 9.925 1.00 0.00 O ATOM 1479 CB ARG A 95 -7.589 13.527 8.093 1.00 0.00 C ATOM 1480 CG ARG A 95 -7.101 14.483 7.012 1.00 0.00 C ATOM 1481 CD ARG A 95 -8.243 15.249 6.367 1.00 0.00 C ATOM 1482 NE ARG A 95 -9.181 14.378 5.670 1.00 0.00 N ATOM 1483 CZ ARG A 95 -10.491 14.601 5.606 1.00 0.00 C ATOM 1484 NH1 ARG A 95 -11.034 15.621 6.259 1.00 0.00 N ATOM 1485 NH2 ARG A 95 -11.265 13.796 4.896 1.00 0.00 N ATOM 0 H ARG A 95 -5.641 11.401 8.101 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.047 13.969 9.498 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.034 12.651 7.621 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.376 14.012 8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -6.392 15.188 7.446 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.565 13.921 6.247 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.776 15.812 7.133 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.836 15.975 5.663 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.812 13.549 5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.446 16.241 6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.039 15.784 6.204 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.857 13.005 4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.269 13.967 4.847 1.00 0.00 H new ATOM 1499 N PRO A 96 -7.283 12.762 11.343 1.00 0.00 N ATOM 1500 CA PRO A 96 -7.635 12.063 12.591 1.00 0.00 C ATOM 1501 C PRO A 96 -8.361 10.722 12.427 1.00 0.00 C ATOM 1502 O PRO A 96 -9.384 10.630 11.744 1.00 0.00 O ATOM 1503 CB PRO A 96 -8.551 13.071 13.295 1.00 0.00 C ATOM 1504 CG PRO A 96 -8.355 14.388 12.599 1.00 0.00 C ATOM 1505 CD PRO A 96 -7.259 14.204 11.584 1.00 0.00 C ATOM 0 HA PRO A 96 -6.730 11.783 13.130 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -9.592 12.754 13.238 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -8.299 13.150 14.353 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -9.278 14.706 12.114 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.088 15.164 13.316 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -7.452 14.770 10.673 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.293 14.535 11.966 1.00 0.00 H new ATOM 1513 N VAL A 97 -7.834 9.698 13.104 1.00 0.00 N ATOM 1514 CA VAL A 97 -8.428 8.360 13.100 1.00 0.00 C ATOM 1515 C VAL A 97 -9.423 8.197 14.244 1.00 0.00 C ATOM 1516 O VAL A 97 -9.808 7.079 14.596 1.00 0.00 O ATOM 1517 CB VAL A 97 -7.360 7.248 13.222 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -6.524 7.150 11.961 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -6.468 7.485 14.430 1.00 0.00 C ATOM 0 H VAL A 97 -6.987 9.773 13.668 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.939 8.259 12.142 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.883 6.301 13.358 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.782 6.360 12.077 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.170 6.920 11.113 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.018 8.099 11.785 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.725 6.690 14.495 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.964 8.446 14.327 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.075 7.489 15.335 1.00 0.00 H new ATOM 1529 N ASP A 98 -9.835 9.317 14.815 1.00 0.00 N ATOM 1530 CA ASP A 98 -10.766 9.313 15.931 1.00 0.00 C ATOM 1531 C ASP A 98 -12.090 8.661 15.539 1.00 0.00 C ATOM 1532 O ASP A 98 -12.848 9.200 14.732 1.00 0.00 O ATOM 1533 CB ASP A 98 -11.005 10.739 16.427 1.00 0.00 C ATOM 1534 CG ASP A 98 -11.995 10.790 17.571 1.00 0.00 C ATOM 1535 OD1 ASP A 98 -11.698 10.227 18.646 1.00 0.00 O ATOM 1536 OD2 ASP A 98 -13.074 11.396 17.404 1.00 0.00 O ATOM 0 H ASP A 98 -9.537 10.247 14.521 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.325 8.727 16.737 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.058 11.173 16.749 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -11.373 11.351 15.603 1.00 0.00 H new ATOM 1541 N GLY A 99 -12.347 7.487 16.099 1.00 0.00 N ATOM 1542 CA GLY A 99 -13.594 6.794 15.842 1.00 0.00 C ATOM 1543 C GLY A 99 -13.527 5.869 14.640 1.00 0.00 C ATOM 1544 O GLY A 99 -14.552 5.567 14.027 1.00 0.00 O ATOM 0 H GLY A 99 -11.711 7.000 16.730 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.869 6.215 16.723 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.384 7.528 15.684 1.00 0.00 H new ATOM 1548 N LEU A 100 -12.330 5.421 14.289 1.00 0.00 N ATOM 1549 CA LEU A 100 -12.176 4.495 13.176 1.00 0.00 C ATOM 1550 C LEU A 100 -12.058 3.066 13.679 1.00 0.00 C ATOM 1551 O LEU A 100 -11.896 2.830 14.877 1.00 0.00 O ATOM 1552 CB LEU A 100 -10.948 4.843 12.331 1.00 0.00 C ATOM 1553 CG LEU A 100 -10.962 6.231 11.692 1.00 0.00 C ATOM 1554 CD1 LEU A 100 -9.821 6.372 10.697 1.00 0.00 C ATOM 1555 CD2 LEU A 100 -12.294 6.489 11.016 1.00 0.00 C ATOM 0 H LEU A 100 -11.460 5.680 14.753 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.065 4.584 12.552 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.061 4.760 12.959 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.850 4.099 11.540 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.825 6.974 12.478 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.847 7.367 10.252 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.870 6.229 11.211 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.926 5.621 9.914 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.287 7.482 10.566 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.460 5.740 10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.094 6.431 11.754 1.00 0.00 H new ATOM 1567 N LYS A 101 -12.157 2.116 12.762 1.00 0.00 N ATOM 1568 CA LYS A 101 -11.971 0.717 13.103 1.00 0.00 C ATOM 1569 C LYS A 101 -10.565 0.269 12.740 1.00 0.00 C ATOM 1570 O LYS A 101 -10.014 0.677 11.716 1.00 0.00 O ATOM 1571 CB LYS A 101 -13.006 -0.158 12.400 1.00 0.00 C ATOM 1572 CG LYS A 101 -14.417 0.024 12.930 1.00 0.00 C ATOM 1573 CD LYS A 101 -15.424 -0.771 12.119 1.00 0.00 C ATOM 1574 CE LYS A 101 -15.605 -0.181 10.730 1.00 0.00 C ATOM 1575 NZ LYS A 101 -16.100 1.220 10.791 1.00 0.00 N ATOM 0 H LYS A 101 -12.365 2.289 11.778 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.108 0.607 14.179 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.996 0.067 11.334 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.719 -1.204 12.508 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -14.458 -0.291 13.973 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.682 1.081 12.906 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.091 -1.806 12.036 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -16.382 -0.785 12.638 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.655 -0.209 10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -16.308 -0.792 10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -16.513 1.482 9.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -16.825 1.300 11.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -15.309 1.859 11.010 1.00 0.00 H new ATOM 1589 N LEU A 102 -9.993 -0.566 13.587 1.00 0.00 N ATOM 1590 CA LEU A 102 -8.615 -0.997 13.424 1.00 0.00 C ATOM 1591 C LEU A 102 -8.519 -2.501 13.197 1.00 0.00 C ATOM 1592 O LEU A 102 -9.028 -3.299 13.986 1.00 0.00 O ATOM 1593 CB LEU A 102 -7.799 -0.599 14.663 1.00 0.00 C ATOM 1594 CG LEU A 102 -6.405 -1.226 14.774 1.00 0.00 C ATOM 1595 CD1 LEU A 102 -5.512 -0.769 13.636 1.00 0.00 C ATOM 1596 CD2 LEU A 102 -5.771 -0.880 16.109 1.00 0.00 C ATOM 0 H LEU A 102 -10.464 -0.962 14.400 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.209 -0.503 12.541 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.690 0.486 14.670 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.369 -0.868 15.552 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.517 -2.308 14.708 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.529 -1.228 13.738 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.954 -1.066 12.685 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.411 0.316 13.666 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.782 -1.334 16.170 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.680 0.202 16.199 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.395 -1.260 16.918 1.00 0.00 H new ATOM 1608 N ILE A 103 -7.857 -2.877 12.114 1.00 0.00 N ATOM 1609 CA ILE A 103 -7.543 -4.260 11.853 1.00 0.00 C ATOM 1610 C ILE A 103 -6.086 -4.493 12.219 1.00 0.00 C ATOM 1611 O ILE A 103 -5.188 -4.316 11.390 1.00 0.00 O ATOM 1612 CB ILE A 103 -7.769 -4.657 10.374 1.00 0.00 C ATOM 1613 CG1 ILE A 103 -9.167 -4.245 9.907 1.00 0.00 C ATOM 1614 CG2 ILE A 103 -7.578 -6.159 10.198 1.00 0.00 C ATOM 1615 CD1 ILE A 103 -9.439 -4.563 8.450 1.00 0.00 C ATOM 0 H ILE A 103 -7.526 -2.230 11.398 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.211 -4.878 12.453 1.00 0.00 H new ATOM 0 HB ILE A 103 -7.035 -4.132 9.763 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.910 -4.749 10.525 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.293 -3.174 10.066 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -7.740 -6.426 9.154 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.564 -6.434 10.490 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -8.293 -6.693 10.824 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -10.448 -4.243 8.190 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.719 -4.038 7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.346 -5.637 8.288 1.00 0.00 H new ATOM 1627 N GLU A 104 -5.860 -4.822 13.484 1.00 0.00 N ATOM 1628 CA GLU A 104 -4.517 -5.076 13.994 1.00 0.00 C ATOM 1629 C GLU A 104 -3.933 -6.340 13.373 1.00 0.00 C ATOM 1630 O GLU A 104 -2.738 -6.610 13.490 1.00 0.00 O ATOM 1631 CB GLU A 104 -4.524 -5.187 15.527 1.00 0.00 C ATOM 1632 CG GLU A 104 -5.308 -6.376 16.075 1.00 0.00 C ATOM 1633 CD GLU A 104 -6.800 -6.272 15.835 1.00 0.00 C ATOM 1634 OE1 GLU A 104 -7.481 -5.564 16.601 1.00 0.00 O ATOM 1635 OE2 GLU A 104 -7.295 -6.887 14.868 1.00 0.00 O ATOM 0 H GLU A 104 -6.597 -4.920 14.183 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.887 -4.231 13.715 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.494 -5.255 15.878 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.942 -4.270 15.943 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.936 -7.291 15.614 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.124 -6.461 17.146 1.00 0.00 H new ATOM 1642 N SER A 105 -4.790 -7.113 12.720 1.00 0.00 N ATOM 1643 CA SER A 105 -4.355 -8.326 12.043 1.00 0.00 C ATOM 1644 C SER A 105 -3.507 -7.959 10.829 1.00 0.00 C ATOM 1645 O SER A 105 -2.393 -8.458 10.660 1.00 0.00 O ATOM 1646 CB SER A 105 -5.564 -9.169 11.619 1.00 0.00 C ATOM 1647 OG SER A 105 -5.158 -10.372 10.988 1.00 0.00 O ATOM 0 H SER A 105 -5.789 -6.922 12.645 1.00 0.00 H new ATOM 0 HA SER A 105 -3.753 -8.920 12.731 1.00 0.00 H new ATOM 0 HB2 SER A 105 -6.172 -9.402 12.493 1.00 0.00 H new ATOM 0 HB3 SER A 105 -6.191 -8.593 10.939 1.00 0.00 H new ATOM 0 HG SER A 105 -5.949 -10.889 10.730 1.00 0.00 H new ATOM 1653 N GLY A 106 -4.034 -7.060 10.004 1.00 0.00 N ATOM 1654 CA GLY A 106 -3.314 -6.604 8.833 1.00 0.00 C ATOM 1655 C GLY A 106 -3.920 -7.117 7.542 1.00 0.00 C ATOM 1656 O GLY A 106 -3.576 -6.644 6.458 1.00 0.00 O ATOM 0 H GLY A 106 -4.954 -6.637 10.129 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.304 -5.514 8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.276 -6.931 8.898 1.00 0.00 H new ATOM 1660 N ASP A 107 -4.817 -8.087 7.649 1.00 0.00 N ATOM 1661 CA ASP A 107 -5.498 -8.615 6.474 1.00 0.00 C ATOM 1662 C ASP A 107 -6.942 -8.129 6.431 1.00 0.00 C ATOM 1663 O ASP A 107 -7.555 -7.857 7.465 1.00 0.00 O ATOM 1664 CB ASP A 107 -5.441 -10.149 6.435 1.00 0.00 C ATOM 1665 CG ASP A 107 -6.112 -10.721 5.199 1.00 0.00 C ATOM 1666 OD1 ASP A 107 -5.539 -10.598 4.098 1.00 0.00 O ATOM 1667 OD2 ASP A 107 -7.216 -11.286 5.325 1.00 0.00 O ATOM 0 H ASP A 107 -5.089 -8.522 8.530 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.979 -8.242 5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -4.400 -10.472 6.463 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -5.923 -10.551 7.326 1.00 0.00 H new ATOM 1672 N TRP A 108 -7.464 -8.021 5.225 1.00 0.00 N ATOM 1673 CA TRP A 108 -8.795 -7.478 4.974 1.00 0.00 C ATOM 1674 C TRP A 108 -9.858 -8.468 5.396 1.00 0.00 C ATOM 1675 O TRP A 108 -10.958 -8.096 5.811 1.00 0.00 O ATOM 1676 CB TRP A 108 -8.960 -7.209 3.480 1.00 0.00 C ATOM 1677 CG TRP A 108 -7.686 -7.382 2.738 1.00 0.00 C ATOM 1678 CD1 TRP A 108 -7.368 -8.389 1.886 1.00 0.00 C ATOM 1679 CD2 TRP A 108 -6.536 -6.549 2.837 1.00 0.00 C ATOM 1680 NE1 TRP A 108 -6.085 -8.211 1.418 1.00 0.00 N ATOM 1681 CE2 TRP A 108 -5.555 -7.086 1.997 1.00 0.00 C ATOM 1682 CE3 TRP A 108 -6.256 -5.394 3.556 1.00 0.00 C ATOM 1683 CZ2 TRP A 108 -4.301 -6.501 1.859 1.00 0.00 C ATOM 1684 CZ3 TRP A 108 -5.019 -4.816 3.427 1.00 0.00 C ATOM 1685 CH2 TRP A 108 -4.049 -5.368 2.581 1.00 0.00 C ATOM 0 H TRP A 108 -6.974 -8.310 4.378 1.00 0.00 H new ATOM 0 HA TRP A 108 -8.905 -6.556 5.546 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -9.712 -7.884 3.071 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -9.330 -6.194 3.333 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -8.021 -9.206 1.616 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -5.607 -8.816 0.750 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -7.000 -4.958 4.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -3.554 -6.926 1.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.789 -3.921 3.987 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -3.084 -4.890 2.498 1.00 0.00 H new ATOM 1696 N LEU A 109 -9.517 -9.731 5.267 1.00 0.00 N ATOM 1697 CA LEU A 109 -10.459 -10.802 5.461 1.00 0.00 C ATOM 1698 C LEU A 109 -10.293 -11.390 6.857 1.00 0.00 C ATOM 1699 O LEU A 109 -11.113 -11.125 7.739 1.00 0.00 O ATOM 1700 CB LEU A 109 -10.243 -11.843 4.367 1.00 0.00 C ATOM 1701 CG LEU A 109 -10.426 -11.284 2.955 1.00 0.00 C ATOM 1702 CD1 LEU A 109 -9.606 -12.068 1.953 1.00 0.00 C ATOM 1703 CD2 LEU A 109 -11.895 -11.293 2.565 1.00 0.00 C ATOM 0 H LEU A 109 -8.576 -10.041 5.024 1.00 0.00 H new ATOM 0 HA LEU A 109 -11.483 -10.435 5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.238 -12.254 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.940 -12.668 4.517 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.072 -10.253 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.753 -11.651 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.551 -12.007 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.923 -13.111 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.006 -10.892 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -12.272 -12.315 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.461 -10.678 3.265 1.00 0.00 H new