USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 529 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 16 TYR OH : rot 150:sc= -0.188 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -154:sc= -0.0584 (180deg=-0.46) USER MOD Single : A 1 ALA N :NH3+ -122:sc= 0.112 (180deg=0) USER MOD Single : A 6 SER OG : rot 130:sc= -1.83! USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0298) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0128) USER MOD Single : A 15 SER OG : rot -153:sc= 0.0639 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 55:sc= 0.879 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 91:sc= 0.322 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.326 K(o=-0.33,f=-3!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.071 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 45:sc= 0.787 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -2.01 K(o=-2,f=-2.6!) USER MOD Single : A 57 THR OG1 : rot 28:sc= 0.32 USER MOD Single : A 58 ASN : amide:sc= -4.69! C(o=-4.7!,f=-7!) USER MOD Single : A 59 ASN : amide:sc= -3.77! C(o=-3.8!,f=-5.5!) USER MOD Single : A 63 HIS : no HD1:sc= -1.73 X(o=-1.7,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.329 0.892 0.541 1.00 0.00 N ATOM 2 CA ALA A 1 14.485 -0.266 0.951 1.00 0.00 C ATOM 3 C ALA A 1 13.207 0.246 1.618 1.00 0.00 C ATOM 4 O ALA A 1 12.917 1.427 1.596 1.00 0.00 O ATOM 5 CB ALA A 1 15.262 -1.140 1.937 1.00 0.00 C ATOM 0 H1 ALA A 1 15.502 0.850 -0.484 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.838 1.779 0.773 1.00 0.00 H new ATOM 0 H3 ALA A 1 16.237 0.856 1.047 1.00 0.00 H new ATOM 0 HA ALA A 1 14.224 -0.856 0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 1 14.645 -1.987 2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.172 -1.505 1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.523 -0.552 2.817 1.00 0.00 H new ATOM 13 N ILE A 2 12.444 -0.637 2.213 1.00 0.00 N ATOM 14 CA ILE A 2 11.182 -0.212 2.886 1.00 0.00 C ATOM 15 C ILE A 2 11.305 -0.443 4.394 1.00 0.00 C ATOM 16 O ILE A 2 11.674 -1.515 4.836 1.00 0.00 O ATOM 17 CB ILE A 2 10.010 -1.032 2.338 1.00 0.00 C ATOM 18 CG1 ILE A 2 9.987 -0.947 0.802 1.00 0.00 C ATOM 19 CG2 ILE A 2 8.694 -0.492 2.907 1.00 0.00 C ATOM 20 CD1 ILE A 2 9.820 0.509 0.348 1.00 0.00 C ATOM 0 H ILE A 2 12.643 -1.636 2.261 1.00 0.00 H new ATOM 0 HA ILE A 2 11.006 0.846 2.694 1.00 0.00 H new ATOM 0 HB ILE A 2 10.130 -2.074 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 2 10.911 -1.357 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 2 9.170 -1.553 0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.861 -1.077 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.710 -0.566 3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 2 8.573 0.551 2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 2 9.806 0.551 -0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.883 0.907 0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 2 10.652 1.105 0.723 1.00 0.00 H new ATOM 32 N GLU A 3 10.999 0.556 5.182 1.00 0.00 N ATOM 33 CA GLU A 3 11.095 0.404 6.664 1.00 0.00 C ATOM 34 C GLU A 3 9.775 -0.151 7.204 1.00 0.00 C ATOM 35 O GLU A 3 8.762 -0.128 6.531 1.00 0.00 O ATOM 36 CB GLU A 3 11.373 1.768 7.299 1.00 0.00 C ATOM 37 CG GLU A 3 12.876 2.055 7.252 1.00 0.00 C ATOM 38 CD GLU A 3 13.531 1.561 8.544 1.00 0.00 C ATOM 39 OE1 GLU A 3 13.861 0.388 8.606 1.00 0.00 O ATOM 40 OE2 GLU A 3 13.690 2.364 9.448 1.00 0.00 O ATOM 0 H GLU A 3 10.686 1.472 4.861 1.00 0.00 H new ATOM 0 HA GLU A 3 11.906 -0.282 6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.826 2.547 6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.022 1.779 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 3 13.325 1.559 6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 3 13.049 3.124 7.130 1.00 0.00 H new ATOM 47 N ARG A 4 9.782 -0.649 8.415 1.00 0.00 N ATOM 48 CA ARG A 4 8.531 -1.208 9.007 1.00 0.00 C ATOM 49 C ARG A 4 7.777 -0.100 9.746 1.00 0.00 C ATOM 50 O ARG A 4 8.352 0.653 10.508 1.00 0.00 O ATOM 51 CB ARG A 4 8.887 -2.330 9.987 1.00 0.00 C ATOM 52 CG ARG A 4 7.840 -3.443 9.896 1.00 0.00 C ATOM 53 CD ARG A 4 8.317 -4.660 10.689 1.00 0.00 C ATOM 54 NE ARG A 4 7.145 -5.505 11.054 1.00 0.00 N ATOM 55 CZ ARG A 4 6.852 -5.707 12.309 1.00 0.00 C ATOM 56 NH1 ARG A 4 7.688 -6.346 13.081 1.00 0.00 N ATOM 57 NH2 ARG A 4 5.722 -5.268 12.792 1.00 0.00 N ATOM 0 H ARG A 4 10.602 -0.692 9.019 1.00 0.00 H new ATOM 0 HA ARG A 4 7.900 -1.608 8.214 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.876 -2.727 9.757 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.929 -1.939 11.004 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.886 -3.092 10.288 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.675 -3.717 8.854 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.026 -5.239 10.097 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.841 -4.338 11.589 1.00 0.00 H new ATOM 0 HE ARG A 4 6.572 -5.925 10.322 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.572 -6.688 12.703 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.458 -6.503 14.062 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.069 -4.768 12.188 1.00 0.00 H new ATOM 0 HH22 ARG A 4 5.491 -5.425 13.773 1.00 0.00 H new ATOM 71 N GLY A 5 6.492 0.000 9.523 1.00 0.00 N ATOM 72 CA GLY A 5 5.683 1.055 10.205 1.00 0.00 C ATOM 73 C GLY A 5 6.203 2.446 9.824 1.00 0.00 C ATOM 74 O GLY A 5 5.969 3.413 10.526 1.00 0.00 O ATOM 0 H GLY A 5 5.965 -0.607 8.895 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.635 0.960 9.922 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.735 0.922 11.286 1.00 0.00 H new ATOM 78 N SER A 6 6.904 2.558 8.720 1.00 0.00 N ATOM 79 CA SER A 6 7.434 3.887 8.296 1.00 0.00 C ATOM 80 C SER A 6 6.410 4.584 7.396 1.00 0.00 C ATOM 81 O SER A 6 5.541 3.950 6.828 1.00 0.00 O ATOM 82 CB SER A 6 8.739 3.691 7.526 1.00 0.00 C ATOM 83 OG SER A 6 9.144 4.933 6.962 1.00 0.00 O ATOM 0 H SER A 6 7.130 1.784 8.096 1.00 0.00 H new ATOM 0 HA SER A 6 7.619 4.502 9.177 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.514 3.311 8.192 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.603 2.949 6.740 1.00 0.00 H new ATOM 0 HG SER A 6 10.083 5.103 7.186 1.00 0.00 H new ATOM 89 N LYS A 7 6.511 5.881 7.260 1.00 0.00 N ATOM 90 CA LYS A 7 5.551 6.626 6.393 1.00 0.00 C ATOM 91 C LYS A 7 6.038 6.574 4.944 1.00 0.00 C ATOM 92 O LYS A 7 6.906 7.330 4.546 1.00 0.00 O ATOM 93 CB LYS A 7 5.470 8.082 6.856 1.00 0.00 C ATOM 94 CG LYS A 7 4.459 8.201 7.997 1.00 0.00 C ATOM 95 CD LYS A 7 3.838 9.600 7.986 1.00 0.00 C ATOM 96 CE LYS A 7 2.601 9.617 8.887 1.00 0.00 C ATOM 97 NZ LYS A 7 3.019 9.475 10.310 1.00 0.00 N ATOM 0 H LYS A 7 7.219 6.458 7.714 1.00 0.00 H new ATOM 0 HA LYS A 7 4.563 6.171 6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.450 8.424 7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.173 8.723 6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.681 7.445 7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.950 8.017 8.953 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.564 10.335 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.564 9.880 6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.051 10.548 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.927 8.805 8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.193 9.605 10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.419 8.527 10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.737 10.194 10.534 1.00 0.00 H new ATOM 111 N VAL A 8 5.491 5.683 4.156 1.00 0.00 N ATOM 112 CA VAL A 8 5.925 5.573 2.731 1.00 0.00 C ATOM 113 C VAL A 8 4.932 6.295 1.819 1.00 0.00 C ATOM 114 O VAL A 8 3.747 6.020 1.833 1.00 0.00 O ATOM 115 CB VAL A 8 6.025 4.094 2.331 1.00 0.00 C ATOM 116 CG1 VAL A 8 7.014 3.387 3.258 1.00 0.00 C ATOM 117 CG2 VAL A 8 4.648 3.419 2.437 1.00 0.00 C ATOM 0 H VAL A 8 4.763 5.027 4.438 1.00 0.00 H new ATOM 0 HA VAL A 8 6.904 6.040 2.622 1.00 0.00 H new ATOM 0 HB VAL A 8 6.371 4.026 1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.088 2.336 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.994 3.856 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.666 3.464 4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.734 2.371 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.288 3.486 3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.945 3.921 1.772 1.00 0.00 H new ATOM 127 N LYS A 9 5.416 7.205 1.019 1.00 0.00 N ATOM 128 CA LYS A 9 4.523 7.946 0.088 1.00 0.00 C ATOM 129 C LYS A 9 4.237 7.054 -1.120 1.00 0.00 C ATOM 130 O LYS A 9 5.121 6.743 -1.895 1.00 0.00 O ATOM 131 CB LYS A 9 5.219 9.231 -0.370 1.00 0.00 C ATOM 132 CG LYS A 9 4.281 10.037 -1.274 1.00 0.00 C ATOM 133 CD LYS A 9 5.066 11.165 -1.958 1.00 0.00 C ATOM 134 CE LYS A 9 4.701 11.224 -3.445 1.00 0.00 C ATOM 135 NZ LYS A 9 3.689 12.296 -3.666 1.00 0.00 N ATOM 0 H LYS A 9 6.400 7.468 0.971 1.00 0.00 H new ATOM 0 HA LYS A 9 3.590 8.207 0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.506 9.828 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.136 8.987 -0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.834 9.385 -2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.463 10.454 -0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.840 12.119 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.137 10.997 -1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.592 11.421 -4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.305 10.262 -3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.441 12.336 -4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.836 12.089 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.083 13.212 -3.369 1.00 0.00 H new ATOM 149 N ILE A 10 3.010 6.632 -1.275 1.00 0.00 N ATOM 150 CA ILE A 10 2.655 5.747 -2.422 1.00 0.00 C ATOM 151 C ILE A 10 2.919 6.478 -3.740 1.00 0.00 C ATOM 152 O ILE A 10 2.494 7.604 -3.925 1.00 0.00 O ATOM 153 CB ILE A 10 1.171 5.369 -2.339 1.00 0.00 C ATOM 154 CG1 ILE A 10 0.836 4.777 -0.956 1.00 0.00 C ATOM 155 CG2 ILE A 10 0.853 4.337 -3.419 1.00 0.00 C ATOM 156 CD1 ILE A 10 1.766 3.601 -0.629 1.00 0.00 C ATOM 0 H ILE A 10 2.235 6.864 -0.653 1.00 0.00 H new ATOM 0 HA ILE A 10 3.265 4.844 -2.380 1.00 0.00 H new ATOM 0 HB ILE A 10 0.572 6.267 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.934 5.548 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.201 4.442 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.201 4.065 -3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.068 4.760 -4.401 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.465 3.448 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.512 3.198 0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.647 2.823 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.800 3.946 -0.623 1.00 0.00 H new ATOM 168 N LEU A 11 3.611 5.845 -4.655 1.00 0.00 N ATOM 169 CA LEU A 11 3.900 6.505 -5.963 1.00 0.00 C ATOM 170 C LEU A 11 3.283 5.689 -7.104 1.00 0.00 C ATOM 171 O LEU A 11 3.766 5.712 -8.221 1.00 0.00 O ATOM 172 CB LEU A 11 5.419 6.609 -6.174 1.00 0.00 C ATOM 173 CG LEU A 11 5.926 8.012 -5.801 1.00 0.00 C ATOM 174 CD1 LEU A 11 5.207 9.079 -6.637 1.00 0.00 C ATOM 175 CD2 LEU A 11 5.674 8.271 -4.316 1.00 0.00 C ATOM 0 H LEU A 11 3.987 4.902 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 11 3.467 7.505 -5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.927 5.860 -5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.662 6.394 -7.215 1.00 0.00 H new ATOM 0 HG LEU A 11 6.995 8.065 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.576 10.067 -6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.398 8.902 -7.695 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.135 9.027 -6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.034 9.266 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.605 8.206 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.203 7.526 -3.722 1.00 0.00 H new ATOM 187 N ARG A 12 2.221 4.974 -6.834 1.00 0.00 N ATOM 188 CA ARG A 12 1.569 4.162 -7.903 1.00 0.00 C ATOM 189 C ARG A 12 0.559 5.032 -8.652 1.00 0.00 C ATOM 190 O ARG A 12 -0.373 5.553 -8.071 1.00 0.00 O ATOM 191 CB ARG A 12 0.848 2.970 -7.271 1.00 0.00 C ATOM 192 CG ARG A 12 0.820 1.804 -8.261 1.00 0.00 C ATOM 193 CD ARG A 12 -0.223 2.080 -9.346 1.00 0.00 C ATOM 194 NE ARG A 12 -0.398 0.863 -10.188 1.00 0.00 N ATOM 195 CZ ARG A 12 0.047 0.849 -11.415 1.00 0.00 C ATOM 196 NH1 ARG A 12 1.252 1.276 -11.677 1.00 0.00 N ATOM 197 NH2 ARG A 12 -0.714 0.409 -12.380 1.00 0.00 N ATOM 0 H ARG A 12 1.777 4.918 -5.917 1.00 0.00 H new ATOM 0 HA ARG A 12 2.325 3.799 -8.599 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.355 2.670 -6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.169 3.251 -6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.803 1.673 -8.712 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.582 0.877 -7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.173 2.359 -8.890 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.093 2.920 -9.964 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.865 0.041 -9.806 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.846 1.621 -10.923 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.600 1.265 -12.636 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.656 0.076 -12.175 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.366 0.398 -13.339 1.00 0.00 H new ATOM 211 N LYS A 13 0.738 5.195 -9.940 1.00 0.00 N ATOM 212 CA LYS A 13 -0.205 6.039 -10.740 1.00 0.00 C ATOM 213 C LYS A 13 -1.635 5.508 -10.593 1.00 0.00 C ATOM 214 O LYS A 13 -2.489 6.156 -10.017 1.00 0.00 O ATOM 215 CB LYS A 13 0.202 6.000 -12.214 1.00 0.00 C ATOM 216 CG LYS A 13 1.438 6.878 -12.426 1.00 0.00 C ATOM 217 CD LYS A 13 2.701 6.034 -12.248 1.00 0.00 C ATOM 218 CE LYS A 13 3.880 6.726 -12.937 1.00 0.00 C ATOM 219 NZ LYS A 13 4.245 7.956 -12.177 1.00 0.00 N ATOM 0 H LYS A 13 1.500 4.778 -10.474 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.164 7.065 -10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.415 4.975 -12.516 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.619 6.352 -12.838 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.419 7.317 -13.424 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.437 7.704 -11.715 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.914 5.899 -11.188 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.550 5.041 -12.672 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.734 6.050 -12.988 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.616 6.984 -13.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.107 8.372 -12.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.468 8.644 -12.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.415 7.711 -11.181 1.00 0.00 H new ATOM 233 N GLU A 14 -1.900 4.336 -11.111 1.00 0.00 N ATOM 234 CA GLU A 14 -3.271 3.758 -11.007 1.00 0.00 C ATOM 235 C GLU A 14 -3.456 3.133 -9.622 1.00 0.00 C ATOM 236 O GLU A 14 -3.302 1.939 -9.446 1.00 0.00 O ATOM 237 CB GLU A 14 -3.456 2.684 -12.081 1.00 0.00 C ATOM 238 CG GLU A 14 -4.005 3.327 -13.357 1.00 0.00 C ATOM 239 CD GLU A 14 -3.459 2.586 -14.578 1.00 0.00 C ATOM 240 OE1 GLU A 14 -2.377 2.932 -15.022 1.00 0.00 O ATOM 241 OE2 GLU A 14 -4.133 1.684 -15.049 1.00 0.00 O ATOM 0 H GLU A 14 -1.222 3.753 -11.603 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.010 4.546 -11.152 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.505 2.194 -12.288 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.140 1.914 -11.726 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.094 3.292 -13.355 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.720 4.378 -13.399 1.00 0.00 H new ATOM 248 N SER A 15 -3.785 3.935 -8.639 1.00 0.00 N ATOM 249 CA SER A 15 -3.980 3.396 -7.261 1.00 0.00 C ATOM 250 C SER A 15 -5.050 4.218 -6.536 1.00 0.00 C ATOM 251 O SER A 15 -5.098 5.428 -6.647 1.00 0.00 O ATOM 252 CB SER A 15 -2.658 3.472 -6.492 1.00 0.00 C ATOM 253 OG SER A 15 -2.056 2.185 -6.470 1.00 0.00 O ATOM 0 H SER A 15 -3.927 4.941 -8.734 1.00 0.00 H new ATOM 0 HA SER A 15 -4.304 2.357 -7.318 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.989 4.191 -6.965 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.835 3.822 -5.475 1.00 0.00 H new ATOM 0 HG SER A 15 -1.492 2.101 -5.673 1.00 0.00 H new ATOM 259 N TYR A 16 -5.904 3.562 -5.794 1.00 0.00 N ATOM 260 CA TYR A 16 -6.977 4.286 -5.051 1.00 0.00 C ATOM 261 C TYR A 16 -6.357 5.210 -3.991 1.00 0.00 C ATOM 262 O TYR A 16 -7.010 6.108 -3.494 1.00 0.00 O ATOM 263 CB TYR A 16 -7.898 3.257 -4.374 1.00 0.00 C ATOM 264 CG TYR A 16 -9.028 3.952 -3.638 1.00 0.00 C ATOM 265 CD1 TYR A 16 -9.754 4.980 -4.257 1.00 0.00 C ATOM 266 CD2 TYR A 16 -9.348 3.560 -2.334 1.00 0.00 C ATOM 267 CE1 TYR A 16 -10.797 5.613 -3.568 1.00 0.00 C ATOM 268 CE2 TYR A 16 -10.391 4.193 -1.646 1.00 0.00 C ATOM 269 CZ TYR A 16 -11.114 5.220 -2.263 1.00 0.00 C ATOM 270 OH TYR A 16 -12.141 5.843 -1.585 1.00 0.00 O ATOM 0 H TYR A 16 -5.904 2.550 -5.670 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.554 4.895 -5.747 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.308 2.580 -5.123 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.322 2.650 -3.676 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.509 5.284 -5.264 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.790 2.768 -1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.356 6.405 -4.044 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.637 3.888 -0.639 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.549 5.211 -0.957 1.00 0.00 H new ATOM 280 N TRP A 17 -5.109 4.999 -3.637 1.00 0.00 N ATOM 281 CA TRP A 17 -4.466 5.868 -2.608 1.00 0.00 C ATOM 282 C TRP A 17 -3.185 6.490 -3.175 1.00 0.00 C ATOM 283 O TRP A 17 -2.229 6.725 -2.460 1.00 0.00 O ATOM 284 CB TRP A 17 -4.133 5.026 -1.370 1.00 0.00 C ATOM 285 CG TRP A 17 -5.378 4.365 -0.859 1.00 0.00 C ATOM 286 CD1 TRP A 17 -6.590 4.962 -0.744 1.00 0.00 C ATOM 287 CD2 TRP A 17 -5.554 2.996 -0.388 1.00 0.00 C ATOM 288 NE1 TRP A 17 -7.495 4.045 -0.243 1.00 0.00 N ATOM 289 CE2 TRP A 17 -6.906 2.820 -0.005 1.00 0.00 C ATOM 290 CE3 TRP A 17 -4.683 1.900 -0.260 1.00 0.00 C ATOM 291 CZ2 TRP A 17 -7.375 1.601 0.488 1.00 0.00 C ATOM 292 CZ3 TRP A 17 -5.151 0.672 0.236 1.00 0.00 C ATOM 293 CH2 TRP A 17 -6.494 0.523 0.608 1.00 0.00 C ATOM 0 H TRP A 17 -4.513 4.264 -4.017 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.152 6.668 -2.330 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.386 4.273 -1.621 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.700 5.658 -0.594 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -6.812 5.987 -1.002 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -8.479 4.249 -0.070 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.646 2.003 -0.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.411 1.492 0.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.472 -0.162 0.331 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -6.848 -0.424 0.987 1.00 0.00 H new ATOM 304 N TYR A 18 -3.167 6.765 -4.455 1.00 0.00 N ATOM 305 CA TYR A 18 -1.959 7.381 -5.083 1.00 0.00 C ATOM 306 C TYR A 18 -1.802 8.817 -4.568 1.00 0.00 C ATOM 307 O TYR A 18 -2.755 9.572 -4.512 1.00 0.00 O ATOM 308 CB TYR A 18 -2.137 7.379 -6.614 1.00 0.00 C ATOM 309 CG TYR A 18 -1.009 8.130 -7.303 1.00 0.00 C ATOM 310 CD1 TYR A 18 0.324 7.933 -6.913 1.00 0.00 C ATOM 311 CD2 TYR A 18 -1.307 9.023 -8.340 1.00 0.00 C ATOM 312 CE1 TYR A 18 1.352 8.631 -7.560 1.00 0.00 C ATOM 313 CE2 TYR A 18 -0.278 9.720 -8.984 1.00 0.00 C ATOM 314 CZ TYR A 18 1.051 9.524 -8.596 1.00 0.00 C ATOM 315 OH TYR A 18 2.064 10.210 -9.232 1.00 0.00 O ATOM 0 H TYR A 18 -3.941 6.588 -5.095 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.066 6.812 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.168 6.352 -6.977 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.092 7.837 -6.872 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.558 7.244 -6.115 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.332 9.174 -8.643 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.378 8.480 -7.259 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.511 10.410 -9.782 1.00 0.00 H new ATOM 0 HH TYR A 18 1.683 10.787 -9.927 1.00 0.00 H new ATOM 325 N GLY A 19 -0.605 9.195 -4.199 1.00 0.00 N ATOM 326 CA GLY A 19 -0.373 10.581 -3.693 1.00 0.00 C ATOM 327 C GLY A 19 -0.498 10.622 -2.165 1.00 0.00 C ATOM 328 O GLY A 19 -0.054 11.561 -1.532 1.00 0.00 O ATOM 0 H GLY A 19 0.224 8.601 -4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.618 10.923 -3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.095 11.264 -4.141 1.00 0.00 H new ATOM 332 N ASP A 20 -1.100 9.621 -1.566 1.00 0.00 N ATOM 333 CA ASP A 20 -1.251 9.618 -0.083 1.00 0.00 C ATOM 334 C ASP A 20 -0.181 8.721 0.541 1.00 0.00 C ATOM 335 O ASP A 20 0.386 7.870 -0.116 1.00 0.00 O ATOM 336 CB ASP A 20 -2.639 9.084 0.277 1.00 0.00 C ATOM 337 CG ASP A 20 -3.586 10.255 0.551 1.00 0.00 C ATOM 338 OD1 ASP A 20 -3.184 11.163 1.262 1.00 0.00 O ATOM 339 OD2 ASP A 20 -4.697 10.224 0.047 1.00 0.00 O ATOM 0 H ASP A 20 -1.491 8.809 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.136 10.632 0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.027 8.473 -0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.576 8.441 1.155 1.00 0.00 H new ATOM 344 N VAL A 21 0.092 8.906 1.807 1.00 0.00 N ATOM 345 CA VAL A 21 1.119 8.069 2.490 1.00 0.00 C ATOM 346 C VAL A 21 0.423 6.905 3.203 1.00 0.00 C ATOM 347 O VAL A 21 -0.774 6.931 3.425 1.00 0.00 O ATOM 348 CB VAL A 21 1.882 8.926 3.508 1.00 0.00 C ATOM 349 CG1 VAL A 21 2.959 8.087 4.200 1.00 0.00 C ATOM 350 CG2 VAL A 21 2.548 10.097 2.782 1.00 0.00 C ATOM 0 H VAL A 21 -0.356 9.606 2.399 1.00 0.00 H new ATOM 0 HA VAL A 21 1.824 7.675 1.758 1.00 0.00 H new ATOM 0 HB VAL A 21 1.182 9.299 4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.495 8.705 4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.491 7.249 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.659 7.708 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.092 10.709 3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.242 9.714 2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.785 10.703 2.293 1.00 0.00 H new ATOM 360 N GLY A 22 1.164 5.888 3.558 1.00 0.00 N ATOM 361 CA GLY A 22 0.554 4.716 4.251 1.00 0.00 C ATOM 362 C GLY A 22 1.539 4.154 5.279 1.00 0.00 C ATOM 363 O GLY A 22 2.738 4.307 5.147 1.00 0.00 O ATOM 0 H GLY A 22 2.169 5.819 3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.371 5.014 4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.294 3.947 3.524 1.00 0.00 H new ATOM 367 N THR A 23 1.039 3.501 6.300 1.00 0.00 N ATOM 368 CA THR A 23 1.942 2.923 7.339 1.00 0.00 C ATOM 369 C THR A 23 2.384 1.524 6.901 1.00 0.00 C ATOM 370 O THR A 23 1.592 0.606 6.837 1.00 0.00 O ATOM 371 CB THR A 23 1.202 2.835 8.678 1.00 0.00 C ATOM 372 OG1 THR A 23 0.700 4.119 9.021 1.00 0.00 O ATOM 373 CG2 THR A 23 2.168 2.356 9.762 1.00 0.00 C ATOM 0 H THR A 23 0.043 3.344 6.457 1.00 0.00 H new ATOM 0 HA THR A 23 2.817 3.562 7.457 1.00 0.00 H new ATOM 0 HB THR A 23 0.374 2.131 8.595 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.224 4.067 9.876 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.643 2.293 10.715 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.555 1.373 9.495 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.995 3.060 9.849 1.00 0.00 H new ATOM 381 N VAL A 24 3.647 1.358 6.595 1.00 0.00 N ATOM 382 CA VAL A 24 4.160 0.023 6.144 1.00 0.00 C ATOM 383 C VAL A 24 3.727 -1.081 7.119 1.00 0.00 C ATOM 384 O VAL A 24 3.926 -0.981 8.315 1.00 0.00 O ATOM 385 CB VAL A 24 5.689 0.063 6.076 1.00 0.00 C ATOM 386 CG1 VAL A 24 6.209 -1.237 5.458 1.00 0.00 C ATOM 387 CG2 VAL A 24 6.132 1.249 5.215 1.00 0.00 C ATOM 0 H VAL A 24 4.351 2.095 6.638 1.00 0.00 H new ATOM 0 HA VAL A 24 3.746 -0.195 5.159 1.00 0.00 H new ATOM 0 HB VAL A 24 6.093 0.173 7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.298 -1.207 5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.896 -2.082 6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.805 -1.349 4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.221 1.277 5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.727 1.140 4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.764 2.176 5.655 1.00 0.00 H new ATOM 397 N ALA A 25 3.135 -2.132 6.608 1.00 0.00 N ATOM 398 CA ALA A 25 2.686 -3.248 7.489 1.00 0.00 C ATOM 399 C ALA A 25 3.732 -4.364 7.461 1.00 0.00 C ATOM 400 O ALA A 25 4.161 -4.849 8.491 1.00 0.00 O ATOM 401 CB ALA A 25 1.347 -3.789 6.986 1.00 0.00 C ATOM 0 H ALA A 25 2.944 -2.263 5.615 1.00 0.00 H new ATOM 0 HA ALA A 25 2.567 -2.884 8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.019 -4.605 7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.603 -2.992 7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.463 -4.156 5.966 1.00 0.00 H new ATOM 407 N SER A 26 4.141 -4.775 6.287 1.00 0.00 N ATOM 408 CA SER A 26 5.157 -5.860 6.178 1.00 0.00 C ATOM 409 C SER A 26 5.512 -6.086 4.706 1.00 0.00 C ATOM 410 O SER A 26 4.878 -5.548 3.815 1.00 0.00 O ATOM 411 CB SER A 26 4.585 -7.149 6.773 1.00 0.00 C ATOM 412 OG SER A 26 5.124 -7.345 8.074 1.00 0.00 O ATOM 0 H SER A 26 3.812 -4.402 5.396 1.00 0.00 H new ATOM 0 HA SER A 26 6.056 -5.574 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.498 -7.089 6.822 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.829 -7.998 6.134 1.00 0.00 H new ATOM 0 HG SER A 26 4.961 -6.547 8.619 1.00 0.00 H new ATOM 418 N ILE A 27 6.518 -6.882 4.449 1.00 0.00 N ATOM 419 CA ILE A 27 6.923 -7.157 3.040 1.00 0.00 C ATOM 420 C ILE A 27 6.610 -8.631 2.732 1.00 0.00 C ATOM 421 O ILE A 27 6.400 -9.428 3.626 1.00 0.00 O ATOM 422 CB ILE A 27 8.434 -6.858 2.872 1.00 0.00 C ATOM 423 CG1 ILE A 27 8.646 -5.341 2.805 1.00 0.00 C ATOM 424 CG2 ILE A 27 8.982 -7.477 1.575 1.00 0.00 C ATOM 425 CD1 ILE A 27 8.245 -4.698 4.131 1.00 0.00 C ATOM 0 H ILE A 27 7.078 -7.355 5.158 1.00 0.00 H new ATOM 0 HA ILE A 27 6.376 -6.521 2.344 1.00 0.00 H new ATOM 0 HB ILE A 27 8.960 -7.289 3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.691 -5.121 2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.054 -4.918 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.044 -7.251 1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.842 -8.558 1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.448 -7.062 0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.399 -3.620 4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.194 -4.904 4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.856 -5.110 4.934 1.00 0.00 H new ATOM 437 N ASP A 28 6.578 -8.989 1.474 1.00 0.00 N ATOM 438 CA ASP A 28 6.280 -10.403 1.101 1.00 0.00 C ATOM 439 C ASP A 28 7.232 -10.850 -0.011 1.00 0.00 C ATOM 440 O ASP A 28 6.869 -10.896 -1.171 1.00 0.00 O ATOM 441 CB ASP A 28 4.833 -10.506 0.611 1.00 0.00 C ATOM 442 CG ASP A 28 4.309 -11.922 0.859 1.00 0.00 C ATOM 443 OD1 ASP A 28 5.070 -12.855 0.667 1.00 0.00 O ATOM 444 OD2 ASP A 28 3.156 -12.048 1.237 1.00 0.00 O ATOM 0 H ASP A 28 6.746 -8.361 0.688 1.00 0.00 H new ATOM 0 HA ASP A 28 6.415 -11.045 1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.209 -9.780 1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.780 -10.268 -0.451 1.00 0.00 H new ATOM 449 N LYS A 29 8.450 -11.180 0.339 1.00 0.00 N ATOM 450 CA LYS A 29 9.435 -11.627 -0.689 1.00 0.00 C ATOM 451 C LYS A 29 8.941 -12.921 -1.337 1.00 0.00 C ATOM 452 O LYS A 29 9.203 -14.007 -0.853 1.00 0.00 O ATOM 453 CB LYS A 29 10.792 -11.875 -0.023 1.00 0.00 C ATOM 454 CG LYS A 29 11.398 -10.541 0.413 1.00 0.00 C ATOM 455 CD LYS A 29 12.137 -9.905 -0.766 1.00 0.00 C ATOM 456 CE LYS A 29 13.614 -10.304 -0.718 1.00 0.00 C ATOM 457 NZ LYS A 29 14.448 -9.185 -1.241 1.00 0.00 N ATOM 0 H LYS A 29 8.804 -11.159 1.295 1.00 0.00 H new ATOM 0 HA LYS A 29 9.541 -10.855 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.671 -12.531 0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.463 -12.381 -0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.614 -9.872 0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.085 -10.696 1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.692 -10.230 -1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.041 -8.820 -0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.905 -10.541 0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.778 -11.203 -1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.452 -9.456 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.176 -8.979 -2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.299 -8.338 -0.656 1.00 0.00 H new ATOM 471 N SER A 30 8.225 -12.811 -2.426 1.00 0.00 N ATOM 472 CA SER A 30 7.704 -14.030 -3.112 1.00 0.00 C ATOM 473 C SER A 30 8.162 -14.034 -4.571 1.00 0.00 C ATOM 474 O SER A 30 8.742 -14.994 -5.044 1.00 0.00 O ATOM 475 CB SER A 30 6.176 -14.030 -3.059 1.00 0.00 C ATOM 476 OG SER A 30 5.751 -14.373 -1.746 1.00 0.00 O ATOM 0 H SER A 30 7.978 -11.927 -2.871 1.00 0.00 H new ATOM 0 HA SER A 30 8.087 -14.919 -2.610 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.791 -13.048 -3.333 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.776 -14.742 -3.781 1.00 0.00 H new ATOM 0 HG SER A 30 5.642 -13.557 -1.214 1.00 0.00 H new ATOM 482 N GLY A 31 7.905 -12.969 -5.288 1.00 0.00 N ATOM 483 CA GLY A 31 8.322 -12.907 -6.721 1.00 0.00 C ATOM 484 C GLY A 31 7.392 -11.970 -7.500 1.00 0.00 C ATOM 485 O GLY A 31 7.757 -11.450 -8.538 1.00 0.00 O ATOM 0 H GLY A 31 7.424 -12.139 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.351 -12.554 -6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.296 -13.905 -7.159 1.00 0.00 H new ATOM 489 N ILE A 32 6.191 -11.753 -7.013 1.00 0.00 N ATOM 490 CA ILE A 32 5.235 -10.852 -7.729 1.00 0.00 C ATOM 491 C ILE A 32 5.856 -9.461 -7.904 1.00 0.00 C ATOM 492 O ILE A 32 6.923 -9.180 -7.393 1.00 0.00 O ATOM 493 CB ILE A 32 3.940 -10.736 -6.920 1.00 0.00 C ATOM 494 CG1 ILE A 32 4.261 -10.262 -5.500 1.00 0.00 C ATOM 495 CG2 ILE A 32 3.255 -12.102 -6.856 1.00 0.00 C ATOM 496 CD1 ILE A 32 2.957 -9.990 -4.747 1.00 0.00 C ATOM 0 H ILE A 32 5.833 -12.162 -6.150 1.00 0.00 H new ATOM 0 HA ILE A 32 5.017 -11.271 -8.711 1.00 0.00 H new ATOM 0 HB ILE A 32 3.277 -10.017 -7.401 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.845 -11.018 -4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.869 -9.358 -5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.333 -12.020 -6.280 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.023 -12.440 -7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.920 -12.820 -6.376 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.184 -9.652 -3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.390 -9.219 -5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.366 -10.905 -4.700 1.00 0.00 H new ATOM 508 N ILE A 33 5.195 -8.596 -8.631 1.00 0.00 N ATOM 509 CA ILE A 33 5.741 -7.224 -8.855 1.00 0.00 C ATOM 510 C ILE A 33 5.534 -6.373 -7.594 1.00 0.00 C ATOM 511 O ILE A 33 6.348 -5.530 -7.271 1.00 0.00 O ATOM 512 CB ILE A 33 5.028 -6.586 -10.059 1.00 0.00 C ATOM 513 CG1 ILE A 33 5.616 -5.195 -10.336 1.00 0.00 C ATOM 514 CG2 ILE A 33 3.527 -6.458 -9.777 1.00 0.00 C ATOM 515 CD1 ILE A 33 6.705 -5.306 -11.406 1.00 0.00 C ATOM 0 H ILE A 33 4.298 -8.782 -9.080 1.00 0.00 H new ATOM 0 HA ILE A 33 6.809 -7.280 -9.064 1.00 0.00 H new ATOM 0 HB ILE A 33 5.175 -7.223 -10.931 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.831 -4.516 -10.670 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.032 -4.775 -9.420 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.033 -6.005 -10.636 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.105 -7.447 -9.595 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.374 -5.831 -8.898 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.123 -4.319 -11.603 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.494 -5.971 -11.054 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.274 -5.708 -12.323 1.00 0.00 H new ATOM 527 N TYR A 34 4.456 -6.590 -6.884 1.00 0.00 N ATOM 528 CA TYR A 34 4.197 -5.793 -5.645 1.00 0.00 C ATOM 529 C TYR A 34 4.109 -6.742 -4.433 1.00 0.00 C ATOM 530 O TYR A 34 3.025 -7.097 -4.018 1.00 0.00 O ATOM 531 CB TYR A 34 2.879 -5.026 -5.798 1.00 0.00 C ATOM 532 CG TYR A 34 2.884 -4.223 -7.084 1.00 0.00 C ATOM 533 CD1 TYR A 34 3.996 -3.440 -7.430 1.00 0.00 C ATOM 534 CD2 TYR A 34 1.768 -4.259 -7.929 1.00 0.00 C ATOM 535 CE1 TYR A 34 3.990 -2.699 -8.617 1.00 0.00 C ATOM 536 CE2 TYR A 34 1.763 -3.516 -9.116 1.00 0.00 C ATOM 537 CZ TYR A 34 2.874 -2.736 -9.460 1.00 0.00 C ATOM 538 OH TYR A 34 2.868 -2.005 -10.630 1.00 0.00 O ATOM 0 H TYR A 34 3.743 -7.285 -7.108 1.00 0.00 H new ATOM 0 HA TYR A 34 5.011 -5.084 -5.490 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.042 -5.724 -5.801 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.736 -4.361 -4.946 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.857 -3.409 -6.779 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.911 -4.860 -7.665 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.847 -2.098 -8.883 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.902 -3.545 -9.767 1.00 0.00 H new ATOM 0 HH TYR A 34 2.018 -2.144 -11.098 1.00 0.00 H new ATOM 548 N PRO A 35 5.255 -7.142 -3.902 1.00 0.00 N ATOM 549 CA PRO A 35 5.304 -8.062 -2.750 1.00 0.00 C ATOM 550 C PRO A 35 5.095 -7.324 -1.416 1.00 0.00 C ATOM 551 O PRO A 35 4.877 -7.949 -0.395 1.00 0.00 O ATOM 552 CB PRO A 35 6.721 -8.638 -2.814 1.00 0.00 C ATOM 553 CG PRO A 35 7.576 -7.620 -3.606 1.00 0.00 C ATOM 554 CD PRO A 35 6.595 -6.733 -4.393 1.00 0.00 C ATOM 0 HA PRO A 35 4.519 -8.817 -2.796 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.124 -8.787 -1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.722 -9.611 -3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.185 -7.019 -2.931 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.261 -8.133 -4.281 1.00 0.00 H new ATOM 0 HD2 PRO A 35 6.780 -5.675 -4.209 1.00 0.00 H new ATOM 0 HD3 PRO A 35 6.690 -6.891 -5.467 1.00 0.00 H new ATOM 562 N VAL A 36 5.174 -6.013 -1.406 1.00 0.00 N ATOM 563 CA VAL A 36 4.997 -5.265 -0.120 1.00 0.00 C ATOM 564 C VAL A 36 3.522 -4.916 0.083 1.00 0.00 C ATOM 565 O VAL A 36 2.733 -4.956 -0.840 1.00 0.00 O ATOM 566 CB VAL A 36 5.820 -3.970 -0.158 1.00 0.00 C ATOM 567 CG1 VAL A 36 5.857 -3.348 1.239 1.00 0.00 C ATOM 568 CG2 VAL A 36 7.252 -4.273 -0.613 1.00 0.00 C ATOM 0 H VAL A 36 5.352 -5.433 -2.226 1.00 0.00 H new ATOM 0 HA VAL A 36 5.337 -5.893 0.703 1.00 0.00 H new ATOM 0 HB VAL A 36 5.358 -3.275 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.441 -2.428 1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.841 -3.123 1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.315 -4.049 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.829 -3.349 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.715 -4.972 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.231 -4.714 -1.610 1.00 0.00 H new ATOM 578 N ILE A 37 3.147 -4.561 1.288 1.00 0.00 N ATOM 579 CA ILE A 37 1.729 -4.185 1.559 1.00 0.00 C ATOM 580 C ILE A 37 1.724 -2.969 2.504 1.00 0.00 C ATOM 581 O ILE A 37 2.189 -3.040 3.628 1.00 0.00 O ATOM 582 CB ILE A 37 0.960 -5.417 2.134 1.00 0.00 C ATOM 583 CG1 ILE A 37 -0.371 -5.571 1.387 1.00 0.00 C ATOM 584 CG2 ILE A 37 0.660 -5.295 3.640 1.00 0.00 C ATOM 585 CD1 ILE A 37 -0.115 -6.031 -0.052 1.00 0.00 C ATOM 0 H ILE A 37 3.767 -4.516 2.097 1.00 0.00 H new ATOM 0 HA ILE A 37 1.209 -3.898 0.645 1.00 0.00 H new ATOM 0 HB ILE A 37 1.605 -6.285 1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.004 -6.294 1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.908 -4.622 1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.125 -6.182 3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.596 -5.204 4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.047 -4.412 3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.066 -6.138 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.501 -5.293 -0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.402 -6.990 -0.041 1.00 0.00 H new ATOM 597 N VAL A 38 1.218 -1.855 2.043 1.00 0.00 N ATOM 598 CA VAL A 38 1.190 -0.632 2.894 1.00 0.00 C ATOM 599 C VAL A 38 -0.151 -0.552 3.629 1.00 0.00 C ATOM 600 O VAL A 38 -1.101 -1.221 3.276 1.00 0.00 O ATOM 601 CB VAL A 38 1.377 0.603 2.010 1.00 0.00 C ATOM 602 CG1 VAL A 38 1.502 1.848 2.888 1.00 0.00 C ATOM 603 CG2 VAL A 38 2.650 0.444 1.175 1.00 0.00 C ATOM 0 H VAL A 38 0.822 -1.741 1.110 1.00 0.00 H new ATOM 0 HA VAL A 38 1.995 -0.674 3.627 1.00 0.00 H new ATOM 0 HB VAL A 38 0.516 0.708 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.635 2.727 2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.598 1.964 3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.362 1.742 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.784 1.323 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.509 0.338 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.565 -0.443 0.547 1.00 0.00 H new ATOM 613 N ARG A 39 -0.227 0.259 4.651 1.00 0.00 N ATOM 614 CA ARG A 39 -1.494 0.395 5.427 1.00 0.00 C ATOM 615 C ARG A 39 -2.149 1.738 5.092 1.00 0.00 C ATOM 616 O ARG A 39 -1.476 2.707 4.792 1.00 0.00 O ATOM 617 CB ARG A 39 -1.170 0.338 6.922 1.00 0.00 C ATOM 618 CG ARG A 39 -2.455 0.428 7.746 1.00 0.00 C ATOM 619 CD ARG A 39 -2.153 0.053 9.195 1.00 0.00 C ATOM 620 NE ARG A 39 -3.386 -0.477 9.841 1.00 0.00 N ATOM 621 CZ ARG A 39 -3.507 -0.447 11.140 1.00 0.00 C ATOM 622 NH1 ARG A 39 -2.658 -1.094 11.890 1.00 0.00 N ATOM 623 NH2 ARG A 39 -4.478 0.231 11.689 1.00 0.00 N ATOM 0 H ARG A 39 0.543 0.839 4.984 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.178 -0.414 5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.646 -0.590 7.153 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.501 1.157 7.188 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.862 1.438 7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.211 -0.241 7.335 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.361 -0.695 9.230 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.791 0.925 9.739 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.136 -0.864 9.268 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.899 -1.624 11.461 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.753 -1.070 12.905 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.142 0.737 11.103 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.573 0.255 12.704 1.00 0.00 H new ATOM 637 N PHE A 40 -3.455 1.800 5.145 1.00 0.00 N ATOM 638 CA PHE A 40 -4.163 3.076 4.832 1.00 0.00 C ATOM 639 C PHE A 40 -5.385 3.224 5.737 1.00 0.00 C ATOM 640 O PHE A 40 -5.901 2.256 6.263 1.00 0.00 O ATOM 641 CB PHE A 40 -4.626 3.059 3.375 1.00 0.00 C ATOM 642 CG PHE A 40 -3.435 2.918 2.462 1.00 0.00 C ATOM 643 CD1 PHE A 40 -2.933 1.648 2.156 1.00 0.00 C ATOM 644 CD2 PHE A 40 -2.834 4.058 1.918 1.00 0.00 C ATOM 645 CE1 PHE A 40 -1.829 1.519 1.306 1.00 0.00 C ATOM 646 CE2 PHE A 40 -1.730 3.929 1.067 1.00 0.00 C ATOM 647 CZ PHE A 40 -1.228 2.658 0.762 1.00 0.00 C ATOM 0 H PHE A 40 -4.063 1.019 5.392 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.481 3.911 4.996 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.319 2.233 3.214 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.166 3.978 3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.397 0.768 2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.222 5.038 2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.441 0.539 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.266 4.809 0.646 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.376 2.557 0.106 1.00 0.00 H new ATOM 657 N ASN A 41 -5.860 4.431 5.906 1.00 0.00 N ATOM 658 CA ASN A 41 -7.063 4.658 6.757 1.00 0.00 C ATOM 659 C ASN A 41 -8.285 4.821 5.850 1.00 0.00 C ATOM 660 O ASN A 41 -9.211 5.544 6.161 1.00 0.00 O ATOM 661 CB ASN A 41 -6.870 5.927 7.590 1.00 0.00 C ATOM 662 CG ASN A 41 -6.022 5.604 8.823 1.00 0.00 C ATOM 663 OD1 ASN A 41 -4.948 6.145 8.994 1.00 0.00 O ATOM 664 ND2 ASN A 41 -6.463 4.739 9.695 1.00 0.00 N ATOM 0 H ASN A 41 -5.463 5.273 5.488 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.209 3.810 7.427 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.383 6.697 6.992 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.838 6.325 7.895 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.906 4.517 10.520 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.365 4.285 9.551 1.00 0.00 H new ATOM 671 N LYS A 42 -8.281 4.155 4.723 1.00 0.00 N ATOM 672 CA LYS A 42 -9.424 4.258 3.773 1.00 0.00 C ATOM 673 C LYS A 42 -10.059 2.879 3.593 1.00 0.00 C ATOM 674 O LYS A 42 -9.436 1.864 3.845 1.00 0.00 O ATOM 675 CB LYS A 42 -8.906 4.762 2.422 1.00 0.00 C ATOM 676 CG LYS A 42 -10.064 5.311 1.580 1.00 0.00 C ATOM 677 CD LYS A 42 -10.698 6.511 2.288 1.00 0.00 C ATOM 678 CE LYS A 42 -11.482 7.347 1.276 1.00 0.00 C ATOM 679 NZ LYS A 42 -10.529 8.069 0.384 1.00 0.00 N ATOM 0 H LYS A 42 -7.526 3.539 4.420 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.169 4.951 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.160 5.541 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.412 3.950 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.701 5.608 0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.812 4.534 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.360 6.169 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.925 7.120 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.134 6.704 0.685 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.122 8.060 1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.982 8.930 0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.678 8.329 0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.262 7.453 -0.410 1.00 0.00 H new ATOM 693 N VAL A 43 -11.291 2.836 3.157 1.00 0.00 N ATOM 694 CA VAL A 43 -11.974 1.525 2.955 1.00 0.00 C ATOM 695 C VAL A 43 -12.846 1.598 1.700 1.00 0.00 C ATOM 696 O VAL A 43 -13.785 2.371 1.632 1.00 0.00 O ATOM 697 CB VAL A 43 -12.850 1.217 4.172 1.00 0.00 C ATOM 698 CG1 VAL A 43 -13.445 -0.185 4.032 1.00 0.00 C ATOM 699 CG2 VAL A 43 -11.997 1.283 5.439 1.00 0.00 C ATOM 0 H VAL A 43 -11.855 3.656 2.932 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.230 0.737 2.835 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.656 1.948 4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -14.069 -0.404 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.051 -0.234 3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.640 -0.917 3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -12.618 1.064 6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.192 0.551 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.572 2.281 5.540 1.00 0.00 H new ATOM 709 N ASN A 44 -12.540 0.805 0.705 1.00 0.00 N ATOM 710 CA ASN A 44 -13.344 0.825 -0.552 1.00 0.00 C ATOM 711 C ASN A 44 -14.628 0.016 -0.356 1.00 0.00 C ATOM 712 O ASN A 44 -14.604 -1.199 -0.317 1.00 0.00 O ATOM 713 CB ASN A 44 -12.525 0.213 -1.691 1.00 0.00 C ATOM 714 CG ASN A 44 -13.016 0.768 -3.030 1.00 0.00 C ATOM 715 OD1 ASN A 44 -14.203 0.931 -3.235 1.00 0.00 O ATOM 716 ND2 ASN A 44 -12.147 1.068 -3.956 1.00 0.00 N ATOM 0 H ASN A 44 -11.765 0.142 0.710 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.601 1.855 -0.799 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.468 0.442 -1.556 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -12.620 -0.873 -1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.464 1.439 -4.852 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.151 0.931 -3.784 1.00 0.00 H new ATOM 723 N TYR A 45 -15.746 0.686 -0.235 1.00 0.00 N ATOM 724 CA TYR A 45 -17.039 -0.034 -0.041 1.00 0.00 C ATOM 725 C TYR A 45 -17.731 -0.217 -1.396 1.00 0.00 C ATOM 726 O TYR A 45 -18.926 -0.018 -1.527 1.00 0.00 O ATOM 727 CB TYR A 45 -17.940 0.780 0.891 1.00 0.00 C ATOM 728 CG TYR A 45 -17.262 0.948 2.229 1.00 0.00 C ATOM 729 CD1 TYR A 45 -17.175 -0.136 3.111 1.00 0.00 C ATOM 730 CD2 TYR A 45 -16.718 2.188 2.588 1.00 0.00 C ATOM 731 CE1 TYR A 45 -16.546 0.020 4.352 1.00 0.00 C ATOM 732 CE2 TYR A 45 -16.090 2.343 3.829 1.00 0.00 C ATOM 733 CZ TYR A 45 -16.004 1.259 4.711 1.00 0.00 C ATOM 734 OH TYR A 45 -15.384 1.413 5.935 1.00 0.00 O ATOM 0 H TYR A 45 -15.818 1.703 -0.262 1.00 0.00 H new ATOM 0 HA TYR A 45 -16.849 -1.012 0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -18.148 1.756 0.452 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.899 0.277 1.018 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -17.593 -1.092 2.834 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.783 3.024 1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -16.479 -0.816 5.032 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -15.672 3.299 4.106 1.00 0.00 H new ATOM 0 HH TYR A 45 -15.062 2.334 6.025 1.00 0.00 H new ATOM 744 N ASN A 46 -16.987 -0.594 -2.405 1.00 0.00 N ATOM 745 CA ASN A 46 -17.590 -0.793 -3.755 1.00 0.00 C ATOM 746 C ASN A 46 -17.020 -2.065 -4.386 1.00 0.00 C ATOM 747 O ASN A 46 -17.753 -2.951 -4.785 1.00 0.00 O ATOM 748 CB ASN A 46 -17.260 0.409 -4.643 1.00 0.00 C ATOM 749 CG ASN A 46 -18.402 1.426 -4.572 1.00 0.00 C ATOM 750 OD1 ASN A 46 -18.501 2.179 -3.625 1.00 0.00 O ATOM 751 ND2 ASN A 46 -19.272 1.479 -5.543 1.00 0.00 N ATOM 0 H ASN A 46 -15.984 -0.773 -2.350 1.00 0.00 H new ATOM 0 HA ASN A 46 -18.672 -0.888 -3.659 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.328 0.870 -4.317 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -17.112 0.084 -5.673 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.036 2.154 -5.507 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -19.188 0.846 -6.338 1.00 0.00 H new ATOM 758 N GLY A 47 -15.718 -2.159 -4.478 1.00 0.00 N ATOM 759 CA GLY A 47 -15.089 -3.370 -5.083 1.00 0.00 C ATOM 760 C GLY A 47 -14.981 -4.472 -4.026 1.00 0.00 C ATOM 761 O GLY A 47 -13.940 -4.666 -3.427 1.00 0.00 O ATOM 0 H GLY A 47 -15.062 -1.446 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.684 -3.718 -5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.100 -3.124 -5.470 1.00 0.00 H new ATOM 765 N PHE A 48 -16.051 -5.191 -3.796 1.00 0.00 N ATOM 766 CA PHE A 48 -16.021 -6.283 -2.778 1.00 0.00 C ATOM 767 C PHE A 48 -16.623 -7.555 -3.377 1.00 0.00 C ATOM 768 O PHE A 48 -17.668 -7.523 -4.000 1.00 0.00 O ATOM 769 CB PHE A 48 -16.831 -5.861 -1.549 1.00 0.00 C ATOM 770 CG PHE A 48 -18.219 -5.445 -1.975 1.00 0.00 C ATOM 771 CD1 PHE A 48 -18.464 -4.122 -2.365 1.00 0.00 C ATOM 772 CD2 PHE A 48 -19.261 -6.380 -1.980 1.00 0.00 C ATOM 773 CE1 PHE A 48 -19.751 -3.736 -2.759 1.00 0.00 C ATOM 774 CE2 PHE A 48 -20.547 -5.994 -2.374 1.00 0.00 C ATOM 775 CZ PHE A 48 -20.792 -4.671 -2.765 1.00 0.00 C ATOM 0 H PHE A 48 -16.945 -5.068 -4.271 1.00 0.00 H new ATOM 0 HA PHE A 48 -14.990 -6.475 -2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -16.890 -6.686 -0.839 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -16.334 -5.036 -1.039 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -17.661 -3.400 -2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -19.072 -7.400 -1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.940 -2.716 -3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -21.351 -6.716 -2.377 1.00 0.00 H new ATOM 0 HZ PHE A 48 -21.784 -4.373 -3.071 1.00 0.00 H new ATOM 785 N SER A 49 -15.970 -8.674 -3.192 1.00 0.00 N ATOM 786 CA SER A 49 -16.495 -9.957 -3.746 1.00 0.00 C ATOM 787 C SER A 49 -16.493 -11.025 -2.652 1.00 0.00 C ATOM 788 O SER A 49 -15.450 -11.451 -2.193 1.00 0.00 O ATOM 789 CB SER A 49 -15.610 -10.412 -4.906 1.00 0.00 C ATOM 790 OG SER A 49 -14.272 -10.558 -4.445 1.00 0.00 O ATOM 0 H SER A 49 -15.092 -8.754 -2.679 1.00 0.00 H new ATOM 0 HA SER A 49 -17.514 -9.807 -4.104 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.974 -11.358 -5.308 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.651 -9.685 -5.717 1.00 0.00 H new ATOM 0 HG SER A 49 -14.272 -11.025 -3.583 1.00 0.00 H new ATOM 796 N GLY A 50 -17.654 -11.458 -2.231 1.00 0.00 N ATOM 797 CA GLY A 50 -17.730 -12.499 -1.165 1.00 0.00 C ATOM 798 C GLY A 50 -18.693 -12.039 -0.069 1.00 0.00 C ATOM 799 O GLY A 50 -19.829 -11.694 -0.335 1.00 0.00 O ATOM 0 H GLY A 50 -18.555 -11.133 -2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -18.069 -13.444 -1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -16.740 -12.676 -0.743 1.00 0.00 H new ATOM 803 N SER A 51 -18.245 -12.033 1.162 1.00 0.00 N ATOM 804 CA SER A 51 -19.128 -11.597 2.283 1.00 0.00 C ATOM 805 C SER A 51 -18.598 -10.288 2.871 1.00 0.00 C ATOM 806 O SER A 51 -19.356 -9.451 3.323 1.00 0.00 O ATOM 807 CB SER A 51 -19.142 -12.674 3.369 1.00 0.00 C ATOM 808 OG SER A 51 -20.223 -13.567 3.131 1.00 0.00 O ATOM 0 H SER A 51 -17.303 -12.312 1.438 1.00 0.00 H new ATOM 0 HA SER A 51 -20.140 -11.444 1.909 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.198 -13.219 3.369 1.00 0.00 H new ATOM 0 HB3 SER A 51 -19.245 -12.214 4.352 1.00 0.00 H new ATOM 0 HG SER A 51 -20.234 -14.260 3.824 1.00 0.00 H new ATOM 814 N ALA A 52 -17.301 -10.108 2.868 1.00 0.00 N ATOM 815 CA ALA A 52 -16.712 -8.855 3.424 1.00 0.00 C ATOM 816 C ALA A 52 -16.041 -8.063 2.301 1.00 0.00 C ATOM 817 O ALA A 52 -15.716 -8.601 1.259 1.00 0.00 O ATOM 818 CB ALA A 52 -15.672 -9.210 4.490 1.00 0.00 C ATOM 0 H ALA A 52 -16.624 -10.778 2.503 1.00 0.00 H new ATOM 0 HA ALA A 52 -17.501 -8.251 3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.241 -8.295 4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.150 -9.773 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.883 -9.814 4.042 1.00 0.00 H new ATOM 824 N GLY A 53 -15.832 -6.788 2.507 1.00 0.00 N ATOM 825 CA GLY A 53 -15.181 -5.949 1.457 1.00 0.00 C ATOM 826 C GLY A 53 -14.314 -4.879 2.122 1.00 0.00 C ATOM 827 O GLY A 53 -13.856 -5.046 3.237 1.00 0.00 O ATOM 0 H GLY A 53 -16.085 -6.290 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.570 -6.573 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.939 -5.480 0.830 1.00 0.00 H new ATOM 831 N GLY A 54 -14.087 -3.783 1.444 1.00 0.00 N ATOM 832 CA GLY A 54 -13.249 -2.694 2.029 1.00 0.00 C ATOM 833 C GLY A 54 -11.793 -3.152 2.102 1.00 0.00 C ATOM 834 O GLY A 54 -11.467 -4.107 2.785 1.00 0.00 O ATOM 0 H GLY A 54 -14.447 -3.595 0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.328 -1.794 1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.611 -2.438 3.025 1.00 0.00 H new ATOM 838 N LEU A 55 -10.914 -2.479 1.404 1.00 0.00 N ATOM 839 CA LEU A 55 -9.474 -2.868 1.428 1.00 0.00 C ATOM 840 C LEU A 55 -8.693 -1.845 2.250 1.00 0.00 C ATOM 841 O LEU A 55 -8.817 -0.652 2.047 1.00 0.00 O ATOM 842 CB LEU A 55 -8.899 -2.897 0.000 1.00 0.00 C ATOM 843 CG LEU A 55 -9.609 -3.947 -0.880 1.00 0.00 C ATOM 844 CD1 LEU A 55 -9.676 -5.303 -0.166 1.00 0.00 C ATOM 845 CD2 LEU A 55 -11.025 -3.471 -1.211 1.00 0.00 C ATOM 0 H LEU A 55 -11.134 -1.674 0.817 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.386 -3.861 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.003 -1.912 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.832 -3.118 0.042 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.037 -4.068 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.181 -6.027 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.666 -5.651 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.229 -5.196 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.523 -4.215 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.588 -3.334 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.974 -2.524 -1.749 1.00 0.00 H new ATOM 857 N ASN A 56 -7.886 -2.303 3.170 1.00 0.00 N ATOM 858 CA ASN A 56 -7.085 -1.359 4.001 1.00 0.00 C ATOM 859 C ASN A 56 -5.589 -1.599 3.756 1.00 0.00 C ATOM 860 O ASN A 56 -4.757 -1.223 4.559 1.00 0.00 O ATOM 861 CB ASN A 56 -7.404 -1.572 5.484 1.00 0.00 C ATOM 862 CG ASN A 56 -8.922 -1.594 5.694 1.00 0.00 C ATOM 863 OD1 ASN A 56 -9.604 -2.466 5.193 1.00 0.00 O ATOM 864 ND2 ASN A 56 -9.481 -0.663 6.418 1.00 0.00 N ATOM 0 H ASN A 56 -7.747 -3.291 3.382 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.338 -0.335 3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.967 -2.510 5.828 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.957 -0.775 6.079 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.491 -0.667 6.563 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.908 0.069 6.838 1.00 0.00 H new ATOM 871 N THR A 57 -5.241 -2.216 2.648 1.00 0.00 N ATOM 872 CA THR A 57 -3.801 -2.472 2.344 1.00 0.00 C ATOM 873 C THR A 57 -3.627 -2.583 0.828 1.00 0.00 C ATOM 874 O THR A 57 -4.352 -3.302 0.165 1.00 0.00 O ATOM 875 CB THR A 57 -3.348 -3.781 3.007 1.00 0.00 C ATOM 876 OG1 THR A 57 -4.056 -4.870 2.431 1.00 0.00 O ATOM 877 CG2 THR A 57 -3.630 -3.726 4.510 1.00 0.00 C ATOM 0 H THR A 57 -5.897 -2.552 1.943 1.00 0.00 H new ATOM 0 HA THR A 57 -3.197 -1.652 2.731 1.00 0.00 H new ATOM 0 HB THR A 57 -2.278 -3.914 2.848 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.314 -4.644 1.513 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.307 -4.657 4.975 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.086 -2.891 4.952 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.699 -3.590 4.675 1.00 0.00 H new ATOM 885 N ASN A 58 -2.676 -1.874 0.276 1.00 0.00 N ATOM 886 CA ASN A 58 -2.455 -1.931 -1.199 1.00 0.00 C ATOM 887 C ASN A 58 -1.079 -2.532 -1.491 1.00 0.00 C ATOM 888 O ASN A 58 -0.100 -2.204 -0.849 1.00 0.00 O ATOM 889 CB ASN A 58 -2.534 -0.520 -1.788 1.00 0.00 C ATOM 890 CG ASN A 58 -3.941 -0.266 -2.336 1.00 0.00 C ATOM 891 OD1 ASN A 58 -4.884 -0.940 -1.967 1.00 0.00 O ATOM 892 ND2 ASN A 58 -4.126 0.688 -3.208 1.00 0.00 N ATOM 0 H ASN A 58 -2.042 -1.257 0.785 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.225 -2.555 -1.653 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.293 0.218 -1.023 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.798 -0.406 -2.584 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.060 0.867 -3.578 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.337 1.255 -3.519 1.00 0.00 H new ATOM 899 N ASN A 59 -1.001 -3.409 -2.460 1.00 0.00 N ATOM 900 CA ASN A 59 0.308 -4.038 -2.806 1.00 0.00 C ATOM 901 C ASN A 59 1.175 -3.029 -3.560 1.00 0.00 C ATOM 902 O ASN A 59 0.719 -2.368 -4.474 1.00 0.00 O ATOM 903 CB ASN A 59 0.069 -5.263 -3.693 1.00 0.00 C ATOM 904 CG ASN A 59 -0.935 -6.199 -3.018 1.00 0.00 C ATOM 905 OD1 ASN A 59 -2.101 -5.878 -2.900 1.00 0.00 O ATOM 906 ND2 ASN A 59 -0.529 -7.355 -2.565 1.00 0.00 N ATOM 0 H ASN A 59 -1.791 -3.717 -3.028 1.00 0.00 H new ATOM 0 HA ASN A 59 0.815 -4.344 -1.891 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.308 -4.951 -4.667 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.009 -5.787 -3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.190 -7.987 -2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.449 -7.626 -2.663 1.00 0.00 H new ATOM 913 N PHE A 60 2.424 -2.912 -3.186 1.00 0.00 N ATOM 914 CA PHE A 60 3.331 -1.955 -3.880 1.00 0.00 C ATOM 915 C PHE A 60 4.746 -2.532 -3.925 1.00 0.00 C ATOM 916 O PHE A 60 5.141 -3.309 -3.073 1.00 0.00 O ATOM 917 CB PHE A 60 3.345 -0.624 -3.124 1.00 0.00 C ATOM 918 CG PHE A 60 2.028 0.087 -3.334 1.00 0.00 C ATOM 919 CD1 PHE A 60 1.548 0.311 -4.631 1.00 0.00 C ATOM 920 CD2 PHE A 60 1.286 0.519 -2.230 1.00 0.00 C ATOM 921 CE1 PHE A 60 0.326 0.966 -4.823 1.00 0.00 C ATOM 922 CE2 PHE A 60 0.064 1.175 -2.422 1.00 0.00 C ATOM 923 CZ PHE A 60 -0.416 1.398 -3.718 1.00 0.00 C ATOM 0 H PHE A 60 2.854 -3.441 -2.427 1.00 0.00 H new ATOM 0 HA PHE A 60 2.975 -1.791 -4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.511 -0.799 -2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.167 -0.001 -3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.121 -0.022 -5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.655 0.347 -1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.044 1.138 -5.823 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.509 1.509 -1.570 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.359 1.903 -3.865 1.00 0.00 H new ATOM 933 N ALA A 61 5.510 -2.155 -4.917 1.00 0.00 N ATOM 934 CA ALA A 61 6.906 -2.665 -5.033 1.00 0.00 C ATOM 935 C ALA A 61 7.814 -1.824 -4.137 1.00 0.00 C ATOM 936 O ALA A 61 7.421 -0.778 -3.654 1.00 0.00 O ATOM 937 CB ALA A 61 7.373 -2.550 -6.485 1.00 0.00 C ATOM 0 H ALA A 61 5.224 -1.512 -5.655 1.00 0.00 H new ATOM 0 HA ALA A 61 6.946 -3.710 -4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.394 -2.923 -6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.717 -3.139 -7.126 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.341 -1.506 -6.796 1.00 0.00 H new ATOM 943 N GLU A 62 9.025 -2.267 -3.914 1.00 0.00 N ATOM 944 CA GLU A 62 9.960 -1.489 -3.051 1.00 0.00 C ATOM 945 C GLU A 62 10.258 -0.142 -3.716 1.00 0.00 C ATOM 946 O GLU A 62 10.212 0.896 -3.085 1.00 0.00 O ATOM 947 CB GLU A 62 11.263 -2.271 -2.873 1.00 0.00 C ATOM 948 CG GLU A 62 10.957 -3.652 -2.290 1.00 0.00 C ATOM 949 CD GLU A 62 12.034 -4.644 -2.733 1.00 0.00 C ATOM 950 OE1 GLU A 62 13.195 -4.391 -2.455 1.00 0.00 O ATOM 951 OE2 GLU A 62 11.680 -5.639 -3.341 1.00 0.00 O ATOM 0 H GLU A 62 9.405 -3.134 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 62 9.504 -1.322 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.771 -2.374 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.938 -1.727 -2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.922 -3.599 -1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.976 -3.990 -2.625 1.00 0.00 H new ATOM 958 N HIS A 63 10.561 -0.158 -4.990 1.00 0.00 N ATOM 959 CA HIS A 63 10.864 1.111 -5.714 1.00 0.00 C ATOM 960 C HIS A 63 9.582 1.935 -5.910 1.00 0.00 C ATOM 961 O HIS A 63 9.640 3.122 -6.172 1.00 0.00 O ATOM 962 CB HIS A 63 11.471 0.786 -7.082 1.00 0.00 C ATOM 963 CG HIS A 63 10.559 -0.148 -7.831 1.00 0.00 C ATOM 964 ND1 HIS A 63 10.918 -1.453 -8.127 1.00 0.00 N ATOM 965 CD2 HIS A 63 9.298 0.020 -8.349 1.00 0.00 C ATOM 966 CE1 HIS A 63 9.894 -2.015 -8.795 1.00 0.00 C ATOM 967 NE2 HIS A 63 8.881 -1.159 -8.958 1.00 0.00 N ATOM 0 H HIS A 63 10.611 -1.001 -5.561 1.00 0.00 H new ATOM 0 HA HIS A 63 11.572 1.692 -5.123 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.617 1.703 -7.653 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.452 0.329 -6.956 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.718 0.929 -8.292 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.891 -3.033 -9.155 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.993 -1.333 -9.428 1.00 0.00 H new ATOM 975 N GLU A 64 8.429 1.320 -5.786 1.00 0.00 N ATOM 976 CA GLU A 64 7.151 2.073 -5.969 1.00 0.00 C ATOM 977 C GLU A 64 6.817 2.872 -4.699 1.00 0.00 C ATOM 978 O GLU A 64 5.936 3.715 -4.708 1.00 0.00 O ATOM 979 CB GLU A 64 6.018 1.087 -6.258 1.00 0.00 C ATOM 980 CG GLU A 64 5.872 0.906 -7.770 1.00 0.00 C ATOM 981 CD GLU A 64 4.424 0.543 -8.103 1.00 0.00 C ATOM 982 OE1 GLU A 64 3.830 -0.200 -7.339 1.00 0.00 O ATOM 983 OE2 GLU A 64 3.934 1.015 -9.116 1.00 0.00 O ATOM 0 H GLU A 64 8.320 0.330 -5.566 1.00 0.00 H new ATOM 0 HA GLU A 64 7.264 2.764 -6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.227 0.128 -5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.084 1.455 -5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.156 1.823 -8.286 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.544 0.122 -8.120 1.00 0.00 H new ATOM 990 N LEU A 65 7.509 2.621 -3.610 1.00 0.00 N ATOM 991 CA LEU A 65 7.227 3.371 -2.352 1.00 0.00 C ATOM 992 C LEU A 65 8.364 4.360 -2.089 1.00 0.00 C ATOM 993 O LEU A 65 9.515 4.081 -2.366 1.00 0.00 O ATOM 994 CB LEU A 65 7.126 2.390 -1.183 1.00 0.00 C ATOM 995 CG LEU A 65 6.072 1.329 -1.494 1.00 0.00 C ATOM 996 CD1 LEU A 65 6.325 0.093 -0.631 1.00 0.00 C ATOM 997 CD2 LEU A 65 4.680 1.888 -1.189 1.00 0.00 C ATOM 0 H LEU A 65 8.255 1.929 -3.543 1.00 0.00 H new ATOM 0 HA LEU A 65 6.286 3.912 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.092 1.917 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.862 2.923 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 65 6.131 1.055 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.574 -0.665 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.316 -0.305 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.266 0.366 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.927 1.131 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.620 2.161 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.500 2.770 -1.803 1.00 0.00 H new ATOM 1009 N GLU A 66 8.047 5.511 -1.555 1.00 0.00 N ATOM 1010 CA GLU A 66 9.103 6.525 -1.267 1.00 0.00 C ATOM 1011 C GLU A 66 9.124 6.822 0.232 1.00 0.00 C ATOM 1012 O GLU A 66 8.528 7.775 0.692 1.00 0.00 O ATOM 1013 CB GLU A 66 8.799 7.811 -2.039 1.00 0.00 C ATOM 1014 CG GLU A 66 9.998 8.756 -1.951 1.00 0.00 C ATOM 1015 CD GLU A 66 10.916 8.532 -3.154 1.00 0.00 C ATOM 1016 OE1 GLU A 66 10.399 8.335 -4.240 1.00 0.00 O ATOM 1017 OE2 GLU A 66 12.122 8.560 -2.966 1.00 0.00 O ATOM 0 H GLU A 66 7.099 5.793 -1.305 1.00 0.00 H new ATOM 0 HA GLU A 66 10.074 6.139 -1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.582 7.579 -3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.912 8.293 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.657 9.791 -1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.545 8.580 -1.025 1.00 0.00 H new ATOM 1024 N VAL A 67 9.813 6.011 1.002 1.00 0.00 N ATOM 1025 CA VAL A 67 9.882 6.234 2.484 1.00 0.00 C ATOM 1026 C VAL A 67 10.302 7.681 2.780 1.00 0.00 C ATOM 1027 O VAL A 67 11.472 8.014 2.761 1.00 0.00 O ATOM 1028 CB VAL A 67 10.902 5.265 3.096 1.00 0.00 C ATOM 1029 CG1 VAL A 67 10.923 5.428 4.619 1.00 0.00 C ATOM 1030 CG2 VAL A 67 10.516 3.821 2.744 1.00 0.00 C ATOM 0 H VAL A 67 10.333 5.200 0.666 1.00 0.00 H new ATOM 0 HA VAL A 67 8.899 6.055 2.920 1.00 0.00 H new ATOM 0 HB VAL A 67 11.891 5.487 2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.649 4.738 5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.201 6.451 4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.934 5.211 5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.242 3.134 3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.525 3.602 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.507 3.701 1.661 1.00 0.00 H new ATOM 1040 N VAL A 68 9.349 8.538 3.049 1.00 0.00 N ATOM 1041 CA VAL A 68 9.675 9.964 3.343 1.00 0.00 C ATOM 1042 C VAL A 68 9.717 10.179 4.858 1.00 0.00 C ATOM 1043 O VAL A 68 9.322 11.217 5.355 1.00 0.00 O ATOM 1044 CB VAL A 68 8.602 10.867 2.728 1.00 0.00 C ATOM 1045 CG1 VAL A 68 8.648 10.754 1.202 1.00 0.00 C ATOM 1046 CG2 VAL A 68 7.221 10.433 3.227 1.00 0.00 C ATOM 0 H VAL A 68 8.356 8.309 3.077 1.00 0.00 H new ATOM 0 HA VAL A 68 10.647 10.210 2.917 1.00 0.00 H new ATOM 0 HB VAL A 68 8.789 11.900 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.884 11.397 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.630 11.063 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.463 9.721 0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.457 11.076 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.037 9.399 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.185 10.514 4.313 1.00 0.00 H new ATOM 1056 N GLY A 69 10.193 9.205 5.592 1.00 0.00 N ATOM 1057 CA GLY A 69 10.265 9.345 7.077 1.00 0.00 C ATOM 1058 C GLY A 69 11.485 10.185 7.454 1.00 0.00 C ATOM 1059 O GLY A 69 11.301 11.210 8.091 1.00 0.00 O ATOM 1060 OXT GLY A 69 12.584 9.792 7.099 1.00 0.00 O ATOM 0 H GLY A 69 10.535 8.317 5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.357 9.816 7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.330 8.362 7.542 1.00 0.00 H new TER 1064 GLY A 69