USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 713 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.022) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -49:sc= 1.25 USER MOD Single : A 24 MET CE :methyl 161:sc= -7.72! (180deg=-9.44!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -152:sc= -0.0672 (180deg=-0.464) USER MOD Single : A 34 GLN : amide:sc= -4 K(o=-4,f=-8.6!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00714 USER MOD Single : A 44 TYR OH : rot 30:sc=-0.00427 USER MOD Single : A 48 SER OG : rot 180:sc= -0.621 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-4.3!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0677 X(o=-0.068,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.0308 X(o=-0.031,f=-0.056) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0146 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.113 -0.671 -0.254 1.00 41.12 N ATOM 2 CA GLY A 1 0.976 -0.240 -1.339 1.00 14.44 C ATOM 3 C GLY A 1 0.194 0.202 -2.560 1.00 43.31 C ATOM 4 O GLY A 1 -0.348 1.307 -2.592 1.00 64.34 O ATOM 0 H1 GLY A 1 0.695 -0.963 0.557 1.00 41.12 H new ATOM 0 H2 GLY A 1 -0.507 0.114 0.029 1.00 41.12 H new ATOM 0 H3 GLY A 1 -0.468 -1.474 -0.570 1.00 41.12 H new ATOM 0 HA2 GLY A 1 1.603 0.583 -0.996 1.00 14.44 H new ATOM 0 HA3 GLY A 1 1.644 -1.056 -1.615 1.00 14.44 H new ATOM 8 N ALA A 2 0.137 -0.661 -3.569 1.00 24.45 N ATOM 9 CA ALA A 2 -0.583 -0.354 -4.798 1.00 34.33 C ATOM 10 C ALA A 2 -0.011 0.887 -5.474 1.00 62.54 C ATOM 11 O ALA A 2 0.970 1.463 -5.006 1.00 43.22 O ATOM 12 CB ALA A 2 -2.065 -0.163 -4.507 1.00 63.32 C ATOM 0 H ALA A 2 0.581 -1.579 -3.559 1.00 24.45 H new ATOM 0 HA ALA A 2 -0.463 -1.195 -5.481 1.00 34.33 H new ATOM 0 HB1 ALA A 2 -2.591 0.066 -5.434 1.00 63.32 H new ATOM 0 HB2 ALA A 2 -2.472 -1.077 -4.075 1.00 63.32 H new ATOM 0 HB3 ALA A 2 -2.195 0.659 -3.804 1.00 63.32 H new ATOM 18 N MET A 3 -0.630 1.291 -6.579 1.00 3.55 N ATOM 19 CA MET A 3 -0.181 2.465 -7.319 1.00 61.11 C ATOM 20 C MET A 3 -0.490 3.745 -6.549 1.00 23.21 C ATOM 21 O MET A 3 -1.489 3.825 -5.835 1.00 24.44 O ATOM 22 CB MET A 3 -0.847 2.511 -8.696 1.00 23.02 C ATOM 23 CG MET A 3 -0.386 1.405 -9.631 1.00 31.41 C ATOM 24 SD MET A 3 0.555 2.030 -11.036 1.00 23.21 S ATOM 25 CE MET A 3 -0.369 1.330 -12.401 1.00 53.32 C ATOM 0 H MET A 3 -1.443 0.824 -6.981 1.00 3.55 H new ATOM 0 HA MET A 3 0.899 2.392 -7.447 1.00 61.11 H new ATOM 0 HB2 MET A 3 -1.928 2.442 -8.570 1.00 23.02 H new ATOM 0 HB3 MET A 3 -0.640 3.476 -9.158 1.00 23.02 H new ATOM 0 HG2 MET A 3 0.227 0.696 -9.074 1.00 31.41 H new ATOM 0 HG3 MET A 3 -1.255 0.857 -9.996 1.00 31.41 H new ATOM 0 HE1 MET A 3 0.092 1.628 -13.343 1.00 53.32 H new ATOM 0 HE2 MET A 3 -0.365 0.243 -12.323 1.00 53.32 H new ATOM 0 HE3 MET A 3 -1.396 1.693 -12.369 1.00 53.32 H new ATOM 35 N ALA A 4 0.374 4.743 -6.699 1.00 2.51 N ATOM 36 CA ALA A 4 0.192 6.020 -6.019 1.00 22.33 C ATOM 37 C ALA A 4 0.157 7.173 -7.016 1.00 34.03 C ATOM 38 O ALA A 4 0.084 6.958 -8.226 1.00 30.13 O ATOM 39 CB ALA A 4 1.299 6.236 -4.998 1.00 2.24 C ATOM 0 H ALA A 4 1.207 4.692 -7.285 1.00 2.51 H new ATOM 0 HA ALA A 4 -0.766 5.994 -5.500 1.00 22.33 H new ATOM 0 HB1 ALA A 4 1.151 7.193 -4.498 1.00 2.24 H new ATOM 0 HB2 ALA A 4 1.276 5.434 -4.261 1.00 2.24 H new ATOM 0 HB3 ALA A 4 2.265 6.236 -5.503 1.00 2.24 H new ATOM 45 N ARG A 5 0.207 8.397 -6.500 1.00 24.21 N ATOM 46 CA ARG A 5 0.179 9.584 -7.345 1.00 50.15 C ATOM 47 C ARG A 5 1.591 10.000 -7.746 1.00 43.12 C ATOM 48 O ARG A 5 1.841 10.356 -8.898 1.00 21.35 O ATOM 49 CB ARG A 5 -0.517 10.737 -6.619 1.00 70.24 C ATOM 50 CG ARG A 5 -1.816 10.333 -5.941 1.00 3.34 C ATOM 51 CD ARG A 5 -2.779 9.683 -6.922 1.00 4.32 C ATOM 52 NE ARG A 5 -4.171 9.995 -6.610 1.00 40.14 N ATOM 53 CZ ARG A 5 -5.202 9.526 -7.304 1.00 51.01 C ATOM 54 NH1 ARG A 5 -4.998 8.728 -8.343 1.00 32.31 N ATOM 55 NH2 ARG A 5 -6.440 9.855 -6.959 1.00 33.01 N ATOM 0 H ARG A 5 0.267 8.592 -5.501 1.00 24.21 H new ATOM 0 HA ARG A 5 -0.380 9.342 -8.249 1.00 50.15 H new ATOM 0 HB2 ARG A 5 0.162 11.147 -5.871 1.00 70.24 H new ATOM 0 HB3 ARG A 5 -0.722 11.534 -7.334 1.00 70.24 H new ATOM 0 HG2 ARG A 5 -1.602 9.641 -5.127 1.00 3.34 H new ATOM 0 HG3 ARG A 5 -2.285 11.212 -5.498 1.00 3.34 H new ATOM 0 HD2 ARG A 5 -2.550 10.020 -7.933 1.00 4.32 H new ATOM 0 HD3 ARG A 5 -2.637 8.602 -6.907 1.00 4.32 H new ATOM 0 HE ARG A 5 -4.362 10.606 -5.816 1.00 40.14 H new ATOM 0 HH11 ARG A 5 -4.048 8.473 -8.611 1.00 32.31 H new ATOM 0 HH12 ARG A 5 -5.792 8.369 -8.874 1.00 32.31 H new ATOM 0 HH21 ARG A 5 -6.601 10.469 -6.160 1.00 33.01 H new ATOM 0 HH22 ARG A 5 -7.231 9.494 -7.493 1.00 33.01 H new ATOM 69 N ALA A 6 2.511 9.953 -6.788 1.00 12.12 N ATOM 70 CA ALA A 6 3.898 10.323 -7.041 1.00 13.40 C ATOM 71 C ALA A 6 3.988 11.692 -7.708 1.00 75.44 C ATOM 72 O ALA A 6 4.778 11.891 -8.630 1.00 3.53 O ATOM 73 CB ALA A 6 4.577 9.269 -7.902 1.00 30.53 C ATOM 0 H ALA A 6 2.321 9.662 -5.829 1.00 12.12 H new ATOM 0 HA ALA A 6 4.413 10.380 -6.082 1.00 13.40 H new ATOM 0 HB1 ALA A 6 5.612 9.559 -8.083 1.00 30.53 H new ATOM 0 HB2 ALA A 6 4.553 8.308 -7.387 1.00 30.53 H new ATOM 0 HB3 ALA A 6 4.053 9.184 -8.854 1.00 30.53 H new ATOM 79 N GLU A 7 3.172 12.629 -7.238 1.00 15.55 N ATOM 80 CA GLU A 7 3.159 13.978 -7.791 1.00 40.42 C ATOM 81 C GLU A 7 4.555 14.594 -7.757 1.00 21.43 C ATOM 82 O GLU A 7 4.921 15.376 -8.633 1.00 60.11 O ATOM 83 CB GLU A 7 2.181 14.863 -7.016 1.00 33.14 C ATOM 84 CG GLU A 7 2.712 15.321 -5.668 1.00 12.52 C ATOM 85 CD GLU A 7 3.007 14.165 -4.733 1.00 35.23 C ATOM 86 OE1 GLU A 7 2.221 13.193 -4.726 1.00 5.41 O ATOM 87 OE2 GLU A 7 4.021 14.231 -4.008 1.00 21.31 O ATOM 0 H GLU A 7 2.511 12.479 -6.476 1.00 15.55 H new ATOM 0 HA GLU A 7 2.834 13.913 -8.829 1.00 40.42 H new ATOM 0 HB2 GLU A 7 1.940 15.739 -7.619 1.00 33.14 H new ATOM 0 HB3 GLU A 7 1.251 14.315 -6.864 1.00 33.14 H new ATOM 0 HG2 GLU A 7 3.622 15.902 -5.819 1.00 12.52 H new ATOM 0 HG3 GLU A 7 1.984 15.984 -5.201 1.00 12.52 H new ATOM 94 N GLU A 8 5.329 14.234 -6.737 1.00 70.24 N ATOM 95 CA GLU A 8 6.684 14.752 -6.588 1.00 31.41 C ATOM 96 C GLU A 8 7.645 14.043 -7.538 1.00 21.32 C ATOM 97 O GLU A 8 8.703 14.573 -7.879 1.00 13.40 O ATOM 98 CB GLU A 8 7.161 14.585 -5.144 1.00 21.43 C ATOM 99 CG GLU A 8 7.321 13.134 -4.719 1.00 53.52 C ATOM 100 CD GLU A 8 8.772 12.741 -4.519 1.00 55.44 C ATOM 101 OE1 GLU A 8 9.403 12.290 -5.498 1.00 4.51 O ATOM 102 OE2 GLU A 8 9.275 12.884 -3.386 1.00 12.13 O ATOM 0 H GLU A 8 5.041 13.587 -6.003 1.00 70.24 H new ATOM 0 HA GLU A 8 6.670 15.813 -6.838 1.00 31.41 H new ATOM 0 HB2 GLU A 8 8.116 15.097 -5.024 1.00 21.43 H new ATOM 0 HB3 GLU A 8 6.451 15.074 -4.477 1.00 21.43 H new ATOM 0 HG2 GLU A 8 6.773 12.968 -3.792 1.00 53.52 H new ATOM 0 HG3 GLU A 8 6.874 12.487 -5.474 1.00 53.52 H new ATOM 109 N HIS A 9 7.270 12.840 -7.961 1.00 71.21 N ATOM 110 CA HIS A 9 8.098 12.057 -8.872 1.00 10.22 C ATOM 111 C HIS A 9 7.885 12.500 -10.316 1.00 44.41 C ATOM 112 O HIS A 9 8.476 11.940 -11.240 1.00 54.24 O ATOM 113 CB HIS A 9 7.781 10.568 -8.731 1.00 53.10 C ATOM 114 CG HIS A 9 8.882 9.673 -9.210 1.00 51.23 C ATOM 115 ND1 HIS A 9 8.718 8.318 -9.409 1.00 3.54 N ATOM 116 CD2 HIS A 9 10.168 9.947 -9.533 1.00 32.50 C ATOM 117 CE1 HIS A 9 9.856 7.797 -9.831 1.00 23.13 C ATOM 118 NE2 HIS A 9 10.752 8.764 -9.915 1.00 51.01 N ATOM 0 H HIS A 9 6.398 12.386 -7.688 1.00 71.21 H new ATOM 0 HA HIS A 9 9.142 12.225 -8.609 1.00 10.22 H new ATOM 0 HB2 HIS A 9 7.574 10.347 -7.684 1.00 53.10 H new ATOM 0 HB3 HIS A 9 6.873 10.344 -9.290 1.00 53.10 H new ATOM 0 HD2 HIS A 9 10.645 10.915 -9.497 1.00 32.50 H new ATOM 0 HE1 HIS A 9 10.025 6.757 -10.067 1.00 23.13 H new ATOM 0 HE2 HIS A 9 11.720 8.651 -10.215 1.00 51.01 H new ATOM 126 N ILE A 10 7.039 13.508 -10.502 1.00 62.33 N ATOM 127 CA ILE A 10 6.750 14.025 -11.834 1.00 13.42 C ATOM 128 C ILE A 10 7.758 15.095 -12.239 1.00 0.21 C ATOM 129 O ILE A 10 8.373 15.012 -13.302 1.00 43.41 O ATOM 130 CB ILE A 10 5.330 14.618 -11.911 1.00 43.10 C ATOM 131 CG1 ILE A 10 4.296 13.579 -11.473 1.00 12.40 C ATOM 132 CG2 ILE A 10 5.036 15.105 -13.322 1.00 73.31 C ATOM 133 CD1 ILE A 10 2.881 14.113 -11.440 1.00 33.23 C ATOM 0 H ILE A 10 6.542 13.982 -9.748 1.00 62.33 H new ATOM 0 HA ILE A 10 6.822 13.183 -12.522 1.00 13.42 H new ATOM 0 HB ILE A 10 5.270 15.470 -11.234 1.00 43.10 H new ATOM 0 HG12 ILE A 10 4.339 12.727 -12.152 1.00 12.40 H new ATOM 0 HG13 ILE A 10 4.560 13.211 -10.482 1.00 12.40 H new ATOM 0 HG21 ILE A 10 4.029 15.521 -13.361 1.00 73.31 H new ATOM 0 HG22 ILE A 10 5.757 15.874 -13.599 1.00 73.31 H new ATOM 0 HG23 ILE A 10 5.110 14.270 -14.018 1.00 73.31 H new ATOM 0 HD11 ILE A 10 2.201 13.323 -11.121 1.00 33.23 H new ATOM 0 HD12 ILE A 10 2.823 14.946 -10.740 1.00 33.23 H new ATOM 0 HD13 ILE A 10 2.598 14.455 -12.435 1.00 33.23 H new ATOM 145 N TYR A 11 7.924 16.098 -11.384 1.00 15.22 N ATOM 146 CA TYR A 11 8.857 17.185 -11.653 1.00 1.45 C ATOM 147 C TYR A 11 9.828 17.370 -10.490 1.00 71.31 C ATOM 148 O TYR A 11 9.422 17.685 -9.372 1.00 13.24 O ATOM 149 CB TYR A 11 8.096 18.488 -11.907 1.00 63.34 C ATOM 150 CG TYR A 11 7.348 18.505 -13.221 1.00 62.43 C ATOM 151 CD1 TYR A 11 8.028 18.607 -14.429 1.00 10.12 C ATOM 152 CD2 TYR A 11 5.962 18.419 -13.255 1.00 51.23 C ATOM 153 CE1 TYR A 11 7.349 18.624 -15.632 1.00 33.33 C ATOM 154 CE2 TYR A 11 5.275 18.433 -14.453 1.00 55.54 C ATOM 155 CZ TYR A 11 5.972 18.536 -15.639 1.00 2.12 C ATOM 156 OH TYR A 11 5.291 18.552 -16.834 1.00 41.14 O ATOM 0 H TYR A 11 7.424 16.181 -10.499 1.00 15.22 H new ATOM 0 HA TYR A 11 9.429 16.926 -12.544 1.00 1.45 H new ATOM 0 HB2 TYR A 11 7.389 18.651 -11.094 1.00 63.34 H new ATOM 0 HB3 TYR A 11 8.800 19.320 -11.888 1.00 63.34 H new ATOM 0 HD1 TYR A 11 9.106 18.674 -14.427 1.00 10.12 H new ATOM 0 HD2 TYR A 11 5.412 18.340 -12.329 1.00 51.23 H new ATOM 0 HE1 TYR A 11 7.893 18.706 -16.562 1.00 33.33 H new ATOM 0 HE2 TYR A 11 4.197 18.364 -14.461 1.00 55.54 H new ATOM 0 HH TYR A 11 4.329 18.481 -16.663 1.00 41.14 H new ATOM 166 N ARG A 12 11.113 17.171 -10.764 1.00 21.21 N ATOM 167 CA ARG A 12 12.143 17.314 -9.742 1.00 41.01 C ATOM 168 C ARG A 12 12.297 18.774 -9.326 1.00 52.10 C ATOM 169 O ARG A 12 12.470 19.078 -8.146 1.00 70.33 O ATOM 170 CB ARG A 12 13.480 16.776 -10.256 1.00 34.41 C ATOM 171 CG ARG A 12 13.962 17.455 -11.527 1.00 74.24 C ATOM 172 CD ARG A 12 14.711 16.485 -12.427 1.00 72.35 C ATOM 173 NE ARG A 12 14.261 16.566 -13.814 1.00 51.25 N ATOM 174 CZ ARG A 12 14.578 17.563 -14.633 1.00 3.43 C ATOM 175 NH1 ARG A 12 15.344 18.558 -14.205 1.00 73.02 N ATOM 176 NH2 ARG A 12 14.130 17.567 -15.882 1.00 22.44 N ATOM 0 H ARG A 12 11.466 16.910 -11.685 1.00 21.21 H new ATOM 0 HA ARG A 12 11.837 16.736 -8.870 1.00 41.01 H new ATOM 0 HB2 ARG A 12 14.235 16.900 -9.479 1.00 34.41 H new ATOM 0 HB3 ARG A 12 13.385 15.706 -10.440 1.00 34.41 H new ATOM 0 HG2 ARG A 12 13.109 17.868 -12.066 1.00 74.24 H new ATOM 0 HG3 ARG A 12 14.613 18.291 -11.270 1.00 74.24 H new ATOM 0 HD2 ARG A 12 15.779 16.698 -12.379 1.00 72.35 H new ATOM 0 HD3 ARG A 12 14.572 15.468 -12.060 1.00 72.35 H new ATOM 0 HE ARG A 12 13.671 15.816 -14.174 1.00 51.25 H new ATOM 0 HH11 ARG A 12 15.691 18.558 -13.246 1.00 73.02 H new ATOM 0 HH12 ARG A 12 15.586 19.323 -14.835 1.00 73.02 H new ATOM 0 HH21 ARG A 12 13.541 16.804 -16.215 1.00 22.44 H new ATOM 0 HH22 ARG A 12 14.375 18.333 -16.509 1.00 22.44 H new ATOM 190 N GLU A 13 12.233 19.673 -10.304 1.00 35.44 N ATOM 191 CA GLU A 13 12.366 21.100 -10.038 1.00 41.21 C ATOM 192 C GLU A 13 11.300 21.572 -9.053 1.00 43.43 C ATOM 193 O GLU A 13 11.576 22.379 -8.164 1.00 75.14 O ATOM 194 CB GLU A 13 12.261 21.896 -11.341 1.00 32.12 C ATOM 195 CG GLU A 13 13.282 21.486 -12.389 1.00 31.14 C ATOM 196 CD GLU A 13 12.772 21.673 -13.804 1.00 62.15 C ATOM 197 OE1 GLU A 13 11.686 21.144 -14.119 1.00 71.23 O ATOM 198 OE2 GLU A 13 13.460 22.349 -14.598 1.00 3.24 O ATOM 0 H GLU A 13 12.090 19.438 -11.286 1.00 35.44 H new ATOM 0 HA GLU A 13 13.347 21.271 -9.594 1.00 41.21 H new ATOM 0 HB2 GLU A 13 11.260 21.771 -11.753 1.00 32.12 H new ATOM 0 HB3 GLU A 13 12.385 22.956 -11.120 1.00 32.12 H new ATOM 0 HG2 GLU A 13 14.191 22.072 -12.254 1.00 31.14 H new ATOM 0 HG3 GLU A 13 13.551 20.441 -12.239 1.00 31.14 H new ATOM 205 N ILE A 14 10.084 21.065 -9.219 1.00 73.20 N ATOM 206 CA ILE A 14 8.977 21.434 -8.345 1.00 70.22 C ATOM 207 C ILE A 14 9.300 21.123 -6.888 1.00 21.03 C ATOM 208 O ILE A 14 8.699 21.687 -5.974 1.00 51.32 O ATOM 209 CB ILE A 14 7.680 20.702 -8.739 1.00 64.11 C ATOM 210 CG1 ILE A 14 7.285 21.056 -10.174 1.00 62.43 C ATOM 211 CG2 ILE A 14 6.559 21.054 -7.773 1.00 50.11 C ATOM 212 CD1 ILE A 14 6.914 22.511 -10.358 1.00 24.41 C ATOM 0 H ILE A 14 9.840 20.397 -9.951 1.00 73.20 H new ATOM 0 HA ILE A 14 8.828 22.508 -8.461 1.00 70.22 H new ATOM 0 HB ILE A 14 7.856 19.628 -8.685 1.00 64.11 H new ATOM 0 HG12 ILE A 14 8.113 20.814 -10.840 1.00 62.43 H new ATOM 0 HG13 ILE A 14 6.442 20.434 -10.474 1.00 62.43 H new ATOM 0 HG21 ILE A 14 5.649 20.529 -8.065 1.00 50.11 H new ATOM 0 HG22 ILE A 14 6.842 20.756 -6.763 1.00 50.11 H new ATOM 0 HG23 ILE A 14 6.381 22.129 -7.798 1.00 50.11 H new ATOM 0 HD11 ILE A 14 6.645 22.689 -11.399 1.00 24.41 H new ATOM 0 HD12 ILE A 14 6.066 22.754 -9.718 1.00 24.41 H new ATOM 0 HD13 ILE A 14 7.763 23.140 -10.090 1.00 24.41 H new ATOM 224 N MET A 15 10.255 20.223 -6.678 1.00 61.20 N ATOM 225 CA MET A 15 10.661 19.839 -5.331 1.00 13.22 C ATOM 226 C MET A 15 11.001 21.069 -4.495 1.00 33.24 C ATOM 227 O MET A 15 10.913 21.039 -3.268 1.00 32.04 O ATOM 228 CB MET A 15 11.865 18.897 -5.386 1.00 52.05 C ATOM 229 CG MET A 15 12.183 18.238 -4.054 1.00 72.02 C ATOM 230 SD MET A 15 12.613 16.495 -4.226 1.00 55.33 S ATOM 231 CE MET A 15 13.960 16.361 -3.054 1.00 1.50 C ATOM 0 H MET A 15 10.762 19.746 -7.423 1.00 61.20 H new ATOM 0 HA MET A 15 9.825 19.321 -4.861 1.00 13.22 H new ATOM 0 HB2 MET A 15 11.676 18.122 -6.129 1.00 52.05 H new ATOM 0 HB3 MET A 15 12.738 19.456 -5.723 1.00 52.05 H new ATOM 0 HG2 MET A 15 13.010 18.767 -3.580 1.00 72.02 H new ATOM 0 HG3 MET A 15 11.322 18.332 -3.392 1.00 72.02 H new ATOM 0 HE1 MET A 15 14.334 15.337 -3.045 1.00 1.50 H new ATOM 0 HE2 MET A 15 14.763 17.039 -3.344 1.00 1.50 H new ATOM 0 HE3 MET A 15 13.604 16.626 -2.058 1.00 1.50 H new ATOM 241 N GLU A 16 11.389 22.148 -5.167 1.00 62.42 N ATOM 242 CA GLU A 16 11.743 23.386 -4.484 1.00 43.43 C ATOM 243 C GLU A 16 10.609 23.850 -3.575 1.00 74.03 C ATOM 244 O GLU A 16 10.809 24.081 -2.382 1.00 35.51 O ATOM 245 CB GLU A 16 12.075 24.479 -5.502 1.00 53.45 C ATOM 246 CG GLU A 16 13.435 24.309 -6.157 1.00 43.10 C ATOM 247 CD GLU A 16 14.552 24.139 -5.146 1.00 21.35 C ATOM 248 OE1 GLU A 16 14.545 24.859 -4.126 1.00 35.15 O ATOM 249 OE2 GLU A 16 15.434 23.284 -5.375 1.00 12.35 O ATOM 0 H GLU A 16 11.466 22.190 -6.183 1.00 62.42 H new ATOM 0 HA GLU A 16 12.622 23.193 -3.869 1.00 43.43 H new ATOM 0 HB2 GLU A 16 11.307 24.488 -6.276 1.00 53.45 H new ATOM 0 HB3 GLU A 16 12.039 25.449 -5.006 1.00 53.45 H new ATOM 0 HG2 GLU A 16 13.411 23.441 -6.816 1.00 43.10 H new ATOM 0 HG3 GLU A 16 13.644 25.177 -6.782 1.00 43.10 H new ATOM 256 N LEU A 17 9.418 23.985 -4.148 1.00 34.01 N ATOM 257 CA LEU A 17 8.250 24.422 -3.391 1.00 34.44 C ATOM 258 C LEU A 17 7.605 23.248 -2.660 1.00 13.32 C ATOM 259 O LEU A 17 7.272 23.347 -1.478 1.00 52.51 O ATOM 260 CB LEU A 17 7.230 25.080 -4.322 1.00 22.30 C ATOM 261 CG LEU A 17 6.358 26.170 -3.699 1.00 41.42 C ATOM 262 CD1 LEU A 17 6.892 27.549 -4.056 1.00 54.12 C ATOM 263 CD2 LEU A 17 4.913 26.022 -4.153 1.00 22.23 C ATOM 0 H LEU A 17 9.236 23.798 -5.134 1.00 34.01 H new ATOM 0 HA LEU A 17 8.580 25.151 -2.651 1.00 34.44 H new ATOM 0 HB2 LEU A 17 7.765 25.510 -5.168 1.00 22.30 H new ATOM 0 HB3 LEU A 17 6.577 24.303 -4.720 1.00 22.30 H new ATOM 0 HG LEU A 17 6.390 26.059 -2.615 1.00 41.42 H new ATOM 0 HD11 LEU A 17 6.259 28.313 -3.604 1.00 54.12 H new ATOM 0 HD12 LEU A 17 7.910 27.653 -3.681 1.00 54.12 H new ATOM 0 HD13 LEU A 17 6.890 27.671 -5.139 1.00 54.12 H new ATOM 0 HD21 LEU A 17 4.307 26.806 -3.700 1.00 22.23 H new ATOM 0 HD22 LEU A 17 4.862 26.106 -5.239 1.00 22.23 H new ATOM 0 HD23 LEU A 17 4.533 25.047 -3.846 1.00 22.23 H new ATOM 275 N CYS A 18 7.433 22.138 -3.369 1.00 43.52 N ATOM 276 CA CYS A 18 6.829 20.945 -2.788 1.00 25.24 C ATOM 277 C CYS A 18 7.462 20.618 -1.439 1.00 33.13 C ATOM 278 O CYS A 18 6.776 20.202 -0.504 1.00 42.14 O ATOM 279 CB CYS A 18 6.982 19.756 -3.738 1.00 2.23 C ATOM 280 SG CYS A 18 6.421 18.182 -3.047 1.00 3.21 S ATOM 0 H CYS A 18 7.704 22.040 -4.348 1.00 43.52 H new ATOM 0 HA CYS A 18 5.768 21.143 -2.634 1.00 25.24 H new ATOM 0 HB2 CYS A 18 6.422 19.960 -4.651 1.00 2.23 H new ATOM 0 HB3 CYS A 18 8.031 19.663 -4.021 1.00 2.23 H new ATOM 0 HG CYS A 18 6.589 17.238 -3.925 1.00 3.21 H new ATOM 286 N PHE A 19 8.774 20.807 -1.345 1.00 33.03 N ATOM 287 CA PHE A 19 9.500 20.530 -0.111 1.00 33.42 C ATOM 288 C PHE A 19 8.875 21.272 1.067 1.00 53.44 C ATOM 289 O PHE A 19 8.735 20.722 2.159 1.00 70.01 O ATOM 290 CB PHE A 19 10.969 20.929 -0.258 1.00 64.20 C ATOM 291 CG PHE A 19 11.755 20.803 1.016 1.00 63.12 C ATOM 292 CD1 PHE A 19 11.683 19.649 1.779 1.00 34.20 C ATOM 293 CD2 PHE A 19 12.566 21.839 1.450 1.00 22.02 C ATOM 294 CE1 PHE A 19 12.405 19.530 2.952 1.00 72.55 C ATOM 295 CE2 PHE A 19 13.291 21.725 2.622 1.00 51.35 C ATOM 296 CZ PHE A 19 13.209 20.570 3.374 1.00 62.32 C ATOM 0 H PHE A 19 9.356 21.151 -2.109 1.00 33.03 H new ATOM 0 HA PHE A 19 9.439 19.459 0.084 1.00 33.42 H new ATOM 0 HB2 PHE A 19 11.431 20.306 -1.024 1.00 64.20 H new ATOM 0 HB3 PHE A 19 11.024 21.959 -0.609 1.00 64.20 H new ATOM 0 HD1 PHE A 19 11.055 18.833 1.454 1.00 34.20 H new ATOM 0 HD2 PHE A 19 12.633 22.745 0.867 1.00 22.02 H new ATOM 0 HE1 PHE A 19 12.340 18.625 3.537 1.00 72.55 H new ATOM 0 HE2 PHE A 19 13.921 22.539 2.949 1.00 51.35 H new ATOM 0 HZ PHE A 19 13.773 20.480 4.291 1.00 62.32 H new ATOM 306 N VAL A 20 8.501 22.527 0.836 1.00 72.02 N ATOM 307 CA VAL A 20 7.890 23.346 1.876 1.00 43.31 C ATOM 308 C VAL A 20 6.437 22.948 2.107 1.00 21.12 C ATOM 309 O VAL A 20 5.955 22.950 3.240 1.00 1.33 O ATOM 310 CB VAL A 20 7.950 24.843 1.519 1.00 41.35 C ATOM 311 CG1 VAL A 20 7.177 25.667 2.537 1.00 24.04 C ATOM 312 CG2 VAL A 20 9.395 25.312 1.427 1.00 34.42 C ATOM 0 H VAL A 20 8.611 22.998 -0.062 1.00 72.02 H new ATOM 0 HA VAL A 20 8.460 23.174 2.789 1.00 43.31 H new ATOM 0 HB VAL A 20 7.484 24.984 0.544 1.00 41.35 H new ATOM 0 HG11 VAL A 20 7.231 26.722 2.268 1.00 24.04 H new ATOM 0 HG12 VAL A 20 6.135 25.348 2.547 1.00 24.04 H new ATOM 0 HG13 VAL A 20 7.610 25.522 3.527 1.00 24.04 H new ATOM 0 HG21 VAL A 20 9.418 26.372 1.174 1.00 34.42 H new ATOM 0 HG22 VAL A 20 9.890 25.157 2.386 1.00 34.42 H new ATOM 0 HG23 VAL A 20 9.914 24.743 0.655 1.00 34.42 H new ATOM 322 N ILE A 21 5.744 22.606 1.026 1.00 21.44 N ATOM 323 CA ILE A 21 4.346 22.203 1.112 1.00 72.01 C ATOM 324 C ILE A 21 4.196 20.897 1.885 1.00 0.33 C ATOM 325 O ILE A 21 3.212 20.695 2.597 1.00 1.11 O ATOM 326 CB ILE A 21 3.722 22.033 -0.286 1.00 64.11 C ATOM 327 CG1 ILE A 21 3.985 23.275 -1.140 1.00 64.23 C ATOM 328 CG2 ILE A 21 2.229 21.769 -0.171 1.00 75.13 C ATOM 329 CD1 ILE A 21 3.600 24.569 -0.459 1.00 40.32 C ATOM 0 H ILE A 21 6.128 22.600 0.081 1.00 21.44 H new ATOM 0 HA ILE A 21 3.821 22.998 1.642 1.00 72.01 H new ATOM 0 HB ILE A 21 4.186 21.175 -0.773 1.00 64.11 H new ATOM 0 HG12 ILE A 21 5.043 23.311 -1.398 1.00 64.23 H new ATOM 0 HG13 ILE A 21 3.431 23.187 -2.075 1.00 64.23 H new ATOM 0 HG21 ILE A 21 1.803 21.651 -1.167 1.00 75.13 H new ATOM 0 HG22 ILE A 21 2.064 20.858 0.405 1.00 75.13 H new ATOM 0 HG23 ILE A 21 1.749 22.608 0.332 1.00 75.13 H new ATOM 0 HD11 ILE A 21 3.814 25.407 -1.122 1.00 40.32 H new ATOM 0 HD12 ILE A 21 2.536 24.554 -0.225 1.00 40.32 H new ATOM 0 HD13 ILE A 21 4.173 24.680 0.462 1.00 40.32 H new ATOM 341 N ARG A 22 5.179 20.015 1.742 1.00 64.11 N ATOM 342 CA ARG A 22 5.158 18.728 2.428 1.00 55.54 C ATOM 343 C ARG A 22 5.272 18.915 3.938 1.00 42.33 C ATOM 344 O ARG A 22 4.793 18.089 4.715 1.00 11.11 O ATOM 345 CB ARG A 22 6.296 17.839 1.925 1.00 3.20 C ATOM 346 CG ARG A 22 6.280 16.438 2.514 1.00 42.02 C ATOM 347 CD ARG A 22 7.141 16.349 3.764 1.00 10.22 C ATOM 348 NE ARG A 22 8.081 15.233 3.703 1.00 2.43 N ATOM 349 CZ ARG A 22 9.080 15.067 4.563 1.00 65.35 C ATOM 350 NH1 ARG A 22 9.268 15.939 5.543 1.00 22.35 N ATOM 351 NH2 ARG A 22 9.894 14.026 4.442 1.00 62.43 N ATOM 0 H ARG A 22 6.001 20.168 1.157 1.00 64.11 H new ATOM 0 HA ARG A 22 4.206 18.244 2.210 1.00 55.54 H new ATOM 0 HB2 ARG A 22 6.237 17.768 0.839 1.00 3.20 H new ATOM 0 HB3 ARG A 22 7.248 18.313 2.163 1.00 3.20 H new ATOM 0 HG2 ARG A 22 5.255 16.156 2.756 1.00 42.02 H new ATOM 0 HG3 ARG A 22 6.640 15.726 1.771 1.00 42.02 H new ATOM 0 HD2 ARG A 22 7.692 17.281 3.891 1.00 10.22 H new ATOM 0 HD3 ARG A 22 6.500 16.236 4.638 1.00 10.22 H new ATOM 0 HE ARG A 22 7.964 14.544 2.960 1.00 2.43 H new ATOM 0 HH11 ARG A 22 8.645 16.741 5.639 1.00 22.35 H new ATOM 0 HH12 ARG A 22 10.036 15.808 6.201 1.00 22.35 H new ATOM 0 HH21 ARG A 22 9.753 13.353 3.689 1.00 62.43 H new ATOM 0 HH22 ARG A 22 10.661 13.899 5.102 1.00 62.43 H new ATOM 365 N THR A 23 5.911 20.007 4.347 1.00 24.21 N ATOM 366 CA THR A 23 6.091 20.302 5.763 1.00 71.40 C ATOM 367 C THR A 23 4.778 20.733 6.406 1.00 54.05 C ATOM 368 O THR A 23 4.584 20.574 7.610 1.00 12.13 O ATOM 369 CB THR A 23 7.142 21.407 5.978 1.00 70.11 C ATOM 370 OG1 THR A 23 6.558 22.692 5.736 1.00 30.24 O ATOM 371 CG2 THR A 23 8.335 21.205 5.056 1.00 4.33 C ATOM 0 H THR A 23 6.312 20.702 3.717 1.00 24.21 H new ATOM 0 HA THR A 23 6.439 19.383 6.235 1.00 71.40 H new ATOM 0 HB THR A 23 7.487 21.354 7.010 1.00 70.11 H new ATOM 0 HG1 THR A 23 6.081 22.678 4.880 1.00 30.24 H new ATOM 0 HG21 THR A 23 9.064 21.997 5.226 1.00 4.33 H new ATOM 0 HG22 THR A 23 8.795 20.238 5.262 1.00 4.33 H new ATOM 0 HG23 THR A 23 8.002 21.234 4.018 1.00 4.33 H new ATOM 379 N MET A 24 3.878 21.279 5.594 1.00 62.15 N ATOM 380 CA MET A 24 2.582 21.732 6.084 1.00 74.50 C ATOM 381 C MET A 24 1.558 20.601 6.038 1.00 41.44 C ATOM 382 O MET A 24 0.964 20.247 7.056 1.00 45.23 O ATOM 383 CB MET A 24 2.085 22.919 5.256 1.00 25.24 C ATOM 384 CG MET A 24 3.049 24.095 5.243 1.00 75.23 C ATOM 385 SD MET A 24 2.212 25.674 5.004 1.00 5.41 S ATOM 386 CE MET A 24 1.826 25.593 3.257 1.00 22.41 C ATOM 0 H MET A 24 4.023 21.418 4.594 1.00 62.15 H new ATOM 0 HA MET A 24 2.704 22.047 7.120 1.00 74.50 H new ATOM 0 HB2 MET A 24 1.912 22.590 4.231 1.00 25.24 H new ATOM 0 HB3 MET A 24 1.125 23.251 5.651 1.00 25.24 H new ATOM 0 HG2 MET A 24 3.600 24.119 6.183 1.00 75.23 H new ATOM 0 HG3 MET A 24 3.781 23.952 4.448 1.00 75.23 H new ATOM 0 HE1 MET A 24 1.036 26.307 3.026 1.00 22.41 H new ATOM 0 HE2 MET A 24 2.716 25.836 2.676 1.00 22.41 H new ATOM 0 HE3 MET A 24 1.491 24.587 3.005 1.00 22.41 H new ATOM 396 N ALA A 25 1.357 20.040 4.850 1.00 32.31 N ATOM 397 CA ALA A 25 0.406 18.949 4.672 1.00 25.13 C ATOM 398 C ALA A 25 0.985 17.630 5.173 1.00 60.33 C ATOM 399 O ALA A 25 2.192 17.401 5.095 1.00 42.15 O ATOM 400 CB ALA A 25 0.006 18.831 3.209 1.00 24.31 C ATOM 0 H ALA A 25 1.840 20.323 3.997 1.00 32.31 H new ATOM 0 HA ALA A 25 -0.482 19.173 5.263 1.00 25.13 H new ATOM 0 HB1 ALA A 25 -0.704 18.013 3.091 1.00 24.31 H new ATOM 0 HB2 ALA A 25 -0.456 19.762 2.882 1.00 24.31 H new ATOM 0 HB3 ALA A 25 0.891 18.633 2.605 1.00 24.31 H new ATOM 406 N ARG A 26 0.117 16.765 5.687 1.00 14.33 N ATOM 407 CA ARG A 26 0.542 15.470 6.202 1.00 23.53 C ATOM 408 C ARG A 26 -0.062 14.333 5.383 1.00 54.44 C ATOM 409 O ARG A 26 0.622 13.704 4.575 1.00 52.12 O ATOM 410 CB ARG A 26 0.140 15.323 7.671 1.00 52.40 C ATOM 411 CG ARG A 26 0.867 16.281 8.600 1.00 3.41 C ATOM 412 CD ARG A 26 2.196 15.706 9.064 1.00 21.13 C ATOM 413 NE ARG A 26 2.477 16.034 10.459 1.00 4.33 N ATOM 414 CZ ARG A 26 2.838 17.245 10.871 1.00 34.30 C ATOM 415 NH1 ARG A 26 2.959 18.236 9.999 1.00 3.23 N ATOM 416 NH2 ARG A 26 3.076 17.465 12.158 1.00 44.45 N ATOM 0 H ARG A 26 -0.886 16.938 5.758 1.00 14.33 H new ATOM 0 HA ARG A 26 1.628 15.416 6.122 1.00 23.53 H new ATOM 0 HB2 ARG A 26 -0.934 15.486 7.763 1.00 52.40 H new ATOM 0 HB3 ARG A 26 0.336 14.300 7.992 1.00 52.40 H new ATOM 0 HG2 ARG A 26 1.038 17.227 8.087 1.00 3.41 H new ATOM 0 HG3 ARG A 26 0.240 16.496 9.466 1.00 3.41 H new ATOM 0 HD2 ARG A 26 2.185 14.623 8.941 1.00 21.13 H new ATOM 0 HD3 ARG A 26 2.997 16.090 8.433 1.00 21.13 H new ATOM 0 HE ARG A 26 2.392 15.293 11.155 1.00 4.33 H new ATOM 0 HH11 ARG A 26 2.775 18.070 9.010 1.00 3.23 H new ATOM 0 HH12 ARG A 26 3.236 19.165 10.317 1.00 3.23 H new ATOM 0 HH21 ARG A 26 2.982 16.705 12.831 1.00 44.45 H new ATOM 0 HH22 ARG A 26 3.353 18.394 12.474 1.00 44.45 H new ATOM 430 N HIS A 27 -1.349 14.076 5.597 1.00 62.44 N ATOM 431 CA HIS A 27 -2.046 13.015 4.878 1.00 41.24 C ATOM 432 C HIS A 27 -1.894 13.191 3.370 1.00 71.44 C ATOM 433 O HIS A 27 -1.971 12.223 2.612 1.00 54.53 O ATOM 434 CB HIS A 27 -3.528 13.003 5.255 1.00 65.02 C ATOM 435 CG HIS A 27 -3.796 12.418 6.607 1.00 15.32 C ATOM 436 ND1 HIS A 27 -3.730 11.066 6.869 1.00 15.12 N ATOM 437 CD2 HIS A 27 -4.132 13.011 7.777 1.00 20.21 C ATOM 438 CE1 HIS A 27 -4.015 10.852 8.141 1.00 35.03 C ATOM 439 NE2 HIS A 27 -4.262 12.016 8.715 1.00 75.14 N ATOM 0 H HIS A 27 -1.930 14.587 6.262 1.00 62.44 H new ATOM 0 HA HIS A 27 -1.599 12.062 5.162 1.00 41.24 H new ATOM 0 HB2 HIS A 27 -3.910 14.023 5.227 1.00 65.02 H new ATOM 0 HB3 HIS A 27 -4.081 12.435 4.506 1.00 65.02 H new ATOM 0 HD2 HIS A 27 -4.272 14.069 7.942 1.00 20.21 H new ATOM 0 HE1 HIS A 27 -4.042 9.889 8.629 1.00 35.03 H new ATOM 0 HE2 HIS A 27 -4.509 12.153 9.695 1.00 75.14 H new ATOM 447 N ARG A 28 -1.679 14.430 2.942 1.00 42.24 N ATOM 448 CA ARG A 28 -1.518 14.732 1.524 1.00 14.14 C ATOM 449 C ARG A 28 -0.419 13.873 0.907 1.00 42.34 C ATOM 450 O ARG A 28 -0.435 13.594 -0.292 1.00 54.24 O ATOM 451 CB ARG A 28 -1.192 16.214 1.331 1.00 54.15 C ATOM 452 CG ARG A 28 -2.419 17.112 1.325 1.00 22.12 C ATOM 453 CD ARG A 28 -3.126 17.097 2.671 1.00 2.34 C ATOM 454 NE ARG A 28 -4.111 16.023 2.761 1.00 70.15 N ATOM 455 CZ ARG A 28 -5.279 16.043 2.129 1.00 73.23 C ATOM 456 NH1 ARG A 28 -5.606 17.076 1.365 1.00 14.33 N ATOM 457 NH2 ARG A 28 -6.123 15.027 2.259 1.00 10.04 N ATOM 0 H ARG A 28 -1.612 15.242 3.556 1.00 42.24 H new ATOM 0 HA ARG A 28 -2.458 14.505 1.020 1.00 14.14 H new ATOM 0 HB2 ARG A 28 -0.520 16.536 2.127 1.00 54.15 H new ATOM 0 HB3 ARG A 28 -0.656 16.340 0.391 1.00 54.15 H new ATOM 0 HG2 ARG A 28 -2.124 18.132 1.079 1.00 22.12 H new ATOM 0 HG3 ARG A 28 -3.108 16.783 0.547 1.00 22.12 H new ATOM 0 HD2 ARG A 28 -2.389 16.980 3.466 1.00 2.34 H new ATOM 0 HD3 ARG A 28 -3.619 18.056 2.832 1.00 2.34 H new ATOM 0 HE ARG A 28 -3.890 15.213 3.341 1.00 70.15 H new ATOM 0 HH11 ARG A 28 -4.960 17.858 1.261 1.00 14.33 H new ATOM 0 HH12 ARG A 28 -6.504 17.088 0.881 1.00 14.33 H new ATOM 0 HH21 ARG A 28 -5.875 14.230 2.845 1.00 10.04 H new ATOM 0 HH22 ARG A 28 -7.020 15.044 1.773 1.00 10.04 H new ATOM 471 N ARG A 29 0.535 13.458 1.733 1.00 4.23 N ATOM 472 CA ARG A 29 1.644 12.633 1.268 1.00 74.00 C ATOM 473 C ARG A 29 1.132 11.425 0.489 1.00 20.53 C ATOM 474 O ARG A 29 1.807 10.921 -0.409 1.00 11.30 O ATOM 475 CB ARG A 29 2.493 12.168 2.452 1.00 22.21 C ATOM 476 CG ARG A 29 3.767 11.447 2.042 1.00 41.32 C ATOM 477 CD ARG A 29 4.503 10.886 3.248 1.00 32.15 C ATOM 478 NE ARG A 29 5.893 10.562 2.940 1.00 41.20 N ATOM 479 CZ ARG A 29 6.260 9.507 2.221 1.00 51.43 C ATOM 480 NH1 ARG A 29 5.344 8.679 1.738 1.00 1.01 N ATOM 481 NH2 ARG A 29 7.545 9.280 1.983 1.00 63.25 N ATOM 0 H ARG A 29 0.563 13.679 2.728 1.00 4.23 H new ATOM 0 HA ARG A 29 2.261 13.238 0.603 1.00 74.00 H new ATOM 0 HB2 ARG A 29 2.755 13.032 3.062 1.00 22.21 H new ATOM 0 HB3 ARG A 29 1.896 11.505 3.078 1.00 22.21 H new ATOM 0 HG2 ARG A 29 3.523 10.637 1.355 1.00 41.32 H new ATOM 0 HG3 ARG A 29 4.419 12.136 1.505 1.00 41.32 H new ATOM 0 HD2 ARG A 29 4.472 11.611 4.061 1.00 32.15 H new ATOM 0 HD3 ARG A 29 3.992 9.990 3.600 1.00 32.15 H new ATOM 0 HE ARG A 29 6.622 11.180 3.296 1.00 41.20 H new ATOM 0 HH11 ARG A 29 4.355 8.851 1.918 1.00 1.01 H new ATOM 0 HH12 ARG A 29 5.628 7.870 1.186 1.00 1.01 H new ATOM 0 HH21 ARG A 29 8.252 9.916 2.352 1.00 63.25 H new ATOM 0 HH22 ARG A 29 7.826 8.470 1.431 1.00 63.25 H new ATOM 495 N ASP A 30 -0.064 10.964 0.840 1.00 5.05 N ATOM 496 CA ASP A 30 -0.666 9.815 0.175 1.00 51.04 C ATOM 497 C ASP A 30 -0.882 10.098 -1.309 1.00 15.53 C ATOM 498 O ASP A 30 -0.807 9.196 -2.141 1.00 61.31 O ATOM 499 CB ASP A 30 -1.997 9.455 0.837 1.00 23.41 C ATOM 500 CG ASP A 30 -2.726 8.345 0.106 1.00 62.24 C ATOM 501 OD1 ASP A 30 -2.156 7.240 -0.018 1.00 4.44 O ATOM 502 OD2 ASP A 30 -3.867 8.580 -0.343 1.00 40.40 O ATOM 0 H ASP A 30 -0.635 11.369 1.582 1.00 5.05 H new ATOM 0 HA ASP A 30 0.018 8.972 0.270 1.00 51.04 H new ATOM 0 HB2 ASP A 30 -1.816 9.150 1.868 1.00 23.41 H new ATOM 0 HB3 ASP A 30 -2.632 10.340 0.874 1.00 23.41 H new ATOM 507 N GLY A 31 -1.153 11.360 -1.632 1.00 33.51 N ATOM 508 CA GLY A 31 -1.378 11.739 -3.014 1.00 41.15 C ATOM 509 C GLY A 31 -0.941 13.161 -3.304 1.00 3.45 C ATOM 510 O GLY A 31 0.222 13.514 -3.106 1.00 43.11 O ATOM 0 H GLY A 31 -1.220 12.125 -0.961 1.00 33.51 H new ATOM 0 HA2 GLY A 31 -0.836 11.055 -3.668 1.00 41.15 H new ATOM 0 HA3 GLY A 31 -2.437 11.633 -3.249 1.00 41.15 H new ATOM 514 N LYS A 32 -1.874 13.981 -3.775 1.00 11.45 N ATOM 515 CA LYS A 32 -1.580 15.374 -4.092 1.00 73.24 C ATOM 516 C LYS A 32 -1.582 16.232 -2.831 1.00 70.23 C ATOM 517 O LYS A 32 -2.256 15.911 -1.852 1.00 71.21 O ATOM 518 CB LYS A 32 -2.603 15.917 -5.093 1.00 32.31 C ATOM 519 CG LYS A 32 -3.020 14.905 -6.146 1.00 71.11 C ATOM 520 CD LYS A 32 -1.815 14.305 -6.851 1.00 31.33 C ATOM 521 CE LYS A 32 -0.996 15.372 -7.560 1.00 25.20 C ATOM 522 NZ LYS A 32 -1.851 16.274 -8.380 1.00 65.01 N ATOM 0 H LYS A 32 -2.841 13.705 -3.946 1.00 11.45 H new ATOM 0 HA LYS A 32 -0.586 15.417 -4.537 1.00 73.24 H new ATOM 0 HB2 LYS A 32 -3.488 16.250 -4.551 1.00 32.31 H new ATOM 0 HB3 LYS A 32 -2.184 16.793 -5.589 1.00 32.31 H new ATOM 0 HG2 LYS A 32 -3.602 14.111 -5.678 1.00 71.11 H new ATOM 0 HG3 LYS A 32 -3.668 15.386 -6.878 1.00 71.11 H new ATOM 0 HD2 LYS A 32 -1.189 13.786 -6.125 1.00 31.33 H new ATOM 0 HD3 LYS A 32 -2.148 13.561 -7.574 1.00 31.33 H new ATOM 0 HE2 LYS A 32 -0.450 15.960 -6.823 1.00 25.20 H new ATOM 0 HE3 LYS A 32 -0.254 14.895 -8.200 1.00 25.20 H new ATOM 0 HZ1 LYS A 32 -1.297 16.648 -9.176 1.00 65.01 H new ATOM 0 HZ2 LYS A 32 -2.666 15.742 -8.745 1.00 65.01 H new ATOM 0 HZ3 LYS A 32 -2.188 17.063 -7.792 1.00 65.01 H new ATOM 536 N ILE A 33 -0.825 17.324 -2.863 1.00 33.50 N ATOM 537 CA ILE A 33 -0.742 18.228 -1.723 1.00 54.32 C ATOM 538 C ILE A 33 -1.437 19.553 -2.021 1.00 71.30 C ATOM 539 O ILE A 33 -1.450 20.015 -3.162 1.00 22.34 O ATOM 540 CB ILE A 33 0.721 18.506 -1.330 1.00 35.11 C ATOM 541 CG1 ILE A 33 1.582 17.266 -1.576 1.00 71.45 C ATOM 542 CG2 ILE A 33 0.805 18.935 0.127 1.00 31.13 C ATOM 543 CD1 ILE A 33 3.023 17.437 -1.151 1.00 23.30 C ATOM 0 H ILE A 33 -0.261 17.604 -3.666 1.00 33.50 H new ATOM 0 HA ILE A 33 -1.245 17.735 -0.892 1.00 54.32 H new ATOM 0 HB ILE A 33 1.101 19.318 -1.950 1.00 35.11 H new ATOM 0 HG12 ILE A 33 1.151 16.422 -1.038 1.00 71.45 H new ATOM 0 HG13 ILE A 33 1.552 17.017 -2.637 1.00 71.45 H new ATOM 0 HG21 ILE A 33 1.845 19.128 0.390 1.00 31.13 H new ATOM 0 HG22 ILE A 33 0.219 19.843 0.273 1.00 31.13 H new ATOM 0 HG23 ILE A 33 0.411 18.142 0.763 1.00 31.13 H new ATOM 0 HD11 ILE A 33 3.574 16.519 -1.355 1.00 23.30 H new ATOM 0 HD12 ILE A 33 3.471 18.260 -1.707 1.00 23.30 H new ATOM 0 HD13 ILE A 33 3.064 17.655 -0.084 1.00 23.30 H new ATOM 555 N GLN A 34 -2.012 20.159 -0.987 1.00 60.32 N ATOM 556 CA GLN A 34 -2.708 21.431 -1.139 1.00 4.25 C ATOM 557 C GLN A 34 -2.610 22.260 0.138 1.00 45.43 C ATOM 558 O GLN A 34 -2.702 21.729 1.244 1.00 32.03 O ATOM 559 CB GLN A 34 -4.176 21.194 -1.495 1.00 51.54 C ATOM 560 CG GLN A 34 -4.371 20.433 -2.797 1.00 1.41 C ATOM 561 CD GLN A 34 -4.305 18.931 -2.610 1.00 31.55 C ATOM 562 OE1 GLN A 34 -3.558 18.239 -3.303 1.00 12.05 O ATOM 563 NE2 GLN A 34 -5.089 18.416 -1.669 1.00 5.11 N ATOM 0 H GLN A 34 -2.010 19.790 -0.036 1.00 60.32 H new ATOM 0 HA GLN A 34 -2.230 21.984 -1.948 1.00 4.25 H new ATOM 0 HB2 GLN A 34 -4.653 20.641 -0.686 1.00 51.54 H new ATOM 0 HB3 GLN A 34 -4.684 22.156 -1.566 1.00 51.54 H new ATOM 0 HG2 GLN A 34 -5.336 20.700 -3.228 1.00 1.41 H new ATOM 0 HG3 GLN A 34 -3.607 20.740 -3.511 1.00 1.41 H new ATOM 0 HE21 GLN A 34 -5.693 19.026 -1.118 1.00 5.11 H new ATOM 0 HE22 GLN A 34 -5.087 17.410 -1.498 1.00 5.11 H new ATOM 572 N VAL A 35 -2.421 23.566 -0.024 1.00 0.32 N ATOM 573 CA VAL A 35 -2.311 24.470 1.115 1.00 21.54 C ATOM 574 C VAL A 35 -2.735 25.884 0.738 1.00 42.41 C ATOM 575 O VAL A 35 -2.598 26.300 -0.413 1.00 63.13 O ATOM 576 CB VAL A 35 -0.873 24.506 1.666 1.00 61.11 C ATOM 577 CG1 VAL A 35 -0.578 23.250 2.472 1.00 44.11 C ATOM 578 CG2 VAL A 35 0.127 24.669 0.532 1.00 65.14 C ATOM 0 H VAL A 35 -2.341 24.022 -0.933 1.00 0.32 H new ATOM 0 HA VAL A 35 -2.979 24.088 1.887 1.00 21.54 H new ATOM 0 HB VAL A 35 -0.778 25.365 2.330 1.00 61.11 H new ATOM 0 HG11 VAL A 35 0.442 23.293 2.853 1.00 44.11 H new ATOM 0 HG12 VAL A 35 -1.275 23.182 3.307 1.00 44.11 H new ATOM 0 HG13 VAL A 35 -0.690 22.373 1.834 1.00 44.11 H new ATOM 0 HG21 VAL A 35 1.138 24.693 0.939 1.00 65.14 H new ATOM 0 HG22 VAL A 35 0.033 23.831 -0.159 1.00 65.14 H new ATOM 0 HG23 VAL A 35 -0.073 25.600 0.002 1.00 65.14 H new ATOM 588 N THR A 36 -3.251 26.623 1.716 1.00 62.42 N ATOM 589 CA THR A 36 -3.696 27.991 1.487 1.00 42.42 C ATOM 590 C THR A 36 -2.530 28.970 1.568 1.00 25.44 C ATOM 591 O THR A 36 -1.512 28.687 2.202 1.00 72.14 O ATOM 592 CB THR A 36 -4.774 28.409 2.505 1.00 42.44 C ATOM 593 OG1 THR A 36 -4.336 28.106 3.834 1.00 74.11 O ATOM 594 CG2 THR A 36 -6.089 27.698 2.223 1.00 4.11 C ATOM 0 H THR A 36 -3.371 26.296 2.675 1.00 62.42 H new ATOM 0 HA THR A 36 -4.122 28.021 0.484 1.00 42.42 H new ATOM 0 HB THR A 36 -4.934 29.483 2.412 1.00 42.44 H new ATOM 0 HG1 THR A 36 -5.026 28.376 4.475 1.00 74.11 H new ATOM 0 HG21 THR A 36 -6.835 28.009 2.954 1.00 4.11 H new ATOM 0 HG22 THR A 36 -6.434 27.955 1.221 1.00 4.11 H new ATOM 0 HG23 THR A 36 -5.942 26.620 2.291 1.00 4.11 H new ATOM 602 N PHE A 37 -2.684 30.122 0.924 1.00 24.15 N ATOM 603 CA PHE A 37 -1.642 31.143 0.924 1.00 32.32 C ATOM 604 C PHE A 37 -1.254 31.524 2.350 1.00 64.52 C ATOM 605 O PHE A 37 -0.072 31.616 2.679 1.00 41.50 O ATOM 606 CB PHE A 37 -2.115 32.383 0.164 1.00 41.43 C ATOM 607 CG PHE A 37 -1.293 33.609 0.446 1.00 60.55 C ATOM 608 CD1 PHE A 37 0.089 33.567 0.357 1.00 1.14 C ATOM 609 CD2 PHE A 37 -1.903 34.802 0.799 1.00 25.52 C ATOM 610 CE1 PHE A 37 0.848 34.693 0.616 1.00 65.23 C ATOM 611 CE2 PHE A 37 -1.149 35.930 1.058 1.00 5.43 C ATOM 612 CZ PHE A 37 0.229 35.876 0.968 1.00 73.24 C ATOM 0 H PHE A 37 -3.520 30.372 0.396 1.00 24.15 H new ATOM 0 HA PHE A 37 -0.764 30.732 0.425 1.00 32.32 H new ATOM 0 HB2 PHE A 37 -2.089 32.176 -0.906 1.00 41.43 H new ATOM 0 HB3 PHE A 37 -3.154 32.584 0.424 1.00 41.43 H new ATOM 0 HD1 PHE A 37 0.579 32.644 0.082 1.00 1.14 H new ATOM 0 HD2 PHE A 37 -2.979 34.850 0.872 1.00 25.52 H new ATOM 0 HE1 PHE A 37 1.925 34.647 0.543 1.00 65.23 H new ATOM 0 HE2 PHE A 37 -1.636 36.854 1.331 1.00 5.43 H new ATOM 0 HZ PHE A 37 0.820 36.757 1.172 1.00 73.24 H new ATOM 622 N GLY A 38 -2.259 31.744 3.192 1.00 24.42 N ATOM 623 CA GLY A 38 -2.003 32.113 4.572 1.00 25.42 C ATOM 624 C GLY A 38 -1.027 31.172 5.252 1.00 12.43 C ATOM 625 O GLY A 38 -0.100 31.614 5.930 1.00 41.44 O ATOM 0 H GLY A 38 -3.246 31.673 2.943 1.00 24.42 H new ATOM 0 HA2 GLY A 38 -1.608 33.128 4.606 1.00 25.42 H new ATOM 0 HA3 GLY A 38 -2.943 32.118 5.124 1.00 25.42 H new ATOM 629 N GLU A 39 -1.238 29.872 5.073 1.00 50.21 N ATOM 630 CA GLU A 39 -0.371 28.868 5.677 1.00 23.24 C ATOM 631 C GLU A 39 1.016 28.893 5.041 1.00 21.41 C ATOM 632 O GLU A 39 2.031 28.940 5.738 1.00 13.20 O ATOM 633 CB GLU A 39 -0.987 27.475 5.530 1.00 25.12 C ATOM 634 CG GLU A 39 -2.213 27.257 6.400 1.00 72.31 C ATOM 635 CD GLU A 39 -2.737 25.836 6.323 1.00 33.25 C ATOM 636 OE1 GLU A 39 -2.087 24.933 6.891 1.00 13.14 O ATOM 637 OE2 GLU A 39 -3.796 25.626 5.696 1.00 14.41 O ATOM 0 H GLU A 39 -2.001 29.490 4.515 1.00 50.21 H new ATOM 0 HA GLU A 39 -0.270 29.102 6.737 1.00 23.24 H new ATOM 0 HB2 GLU A 39 -1.259 27.316 4.487 1.00 25.12 H new ATOM 0 HB3 GLU A 39 -0.236 26.726 5.781 1.00 25.12 H new ATOM 0 HG2 GLU A 39 -1.966 27.494 7.435 1.00 72.31 H new ATOM 0 HG3 GLU A 39 -2.999 27.947 6.094 1.00 72.31 H new ATOM 644 N LEU A 40 1.052 28.860 3.714 1.00 70.54 N ATOM 645 CA LEU A 40 2.314 28.878 2.982 1.00 72.43 C ATOM 646 C LEU A 40 3.171 30.067 3.403 1.00 53.10 C ATOM 647 O LEU A 40 4.369 29.927 3.648 1.00 61.43 O ATOM 648 CB LEU A 40 2.052 28.931 1.476 1.00 54.34 C ATOM 649 CG LEU A 40 2.487 27.704 0.674 1.00 32.24 C ATOM 650 CD1 LEU A 40 2.217 27.911 -0.808 1.00 22.11 C ATOM 651 CD2 LEU A 40 3.960 27.405 0.914 1.00 54.21 C ATOM 0 H LEU A 40 0.222 28.821 3.122 1.00 70.54 H new ATOM 0 HA LEU A 40 2.856 27.962 3.218 1.00 72.43 H new ATOM 0 HB2 LEU A 40 0.984 29.083 1.319 1.00 54.34 H new ATOM 0 HB3 LEU A 40 2.561 29.805 1.070 1.00 54.34 H new ATOM 0 HG LEU A 40 1.903 26.848 1.012 1.00 32.24 H new ATOM 0 HD11 LEU A 40 2.533 27.027 -1.362 1.00 22.11 H new ATOM 0 HD12 LEU A 40 1.151 28.075 -0.964 1.00 22.11 H new ATOM 0 HD13 LEU A 40 2.773 28.779 -1.161 1.00 22.11 H new ATOM 0 HD21 LEU A 40 4.252 26.529 0.335 1.00 54.21 H new ATOM 0 HD22 LEU A 40 4.560 28.261 0.605 1.00 54.21 H new ATOM 0 HD23 LEU A 40 4.124 27.211 1.974 1.00 54.21 H new ATOM 663 N PHE A 41 2.548 31.238 3.488 1.00 72.03 N ATOM 664 CA PHE A 41 3.253 32.452 3.881 1.00 51.31 C ATOM 665 C PHE A 41 3.745 32.353 5.322 1.00 63.03 C ATOM 666 O PHE A 41 4.926 32.560 5.601 1.00 24.51 O ATOM 667 CB PHE A 41 2.340 33.671 3.725 1.00 64.43 C ATOM 668 CG PHE A 41 3.079 34.978 3.734 1.00 3.24 C ATOM 669 CD1 PHE A 41 3.654 35.473 2.575 1.00 61.23 C ATOM 670 CD2 PHE A 41 3.199 35.713 4.903 1.00 54.01 C ATOM 671 CE1 PHE A 41 4.335 36.675 2.581 1.00 3.32 C ATOM 672 CE2 PHE A 41 3.878 36.917 4.915 1.00 23.44 C ATOM 673 CZ PHE A 41 4.446 37.399 3.753 1.00 64.34 C ATOM 0 H PHE A 41 1.556 31.372 3.290 1.00 72.03 H new ATOM 0 HA PHE A 41 4.117 32.568 3.227 1.00 51.31 H new ATOM 0 HB2 PHE A 41 1.786 33.583 2.791 1.00 64.43 H new ATOM 0 HB3 PHE A 41 1.607 33.672 4.532 1.00 64.43 H new ATOM 0 HD1 PHE A 41 3.569 34.913 1.656 1.00 61.23 H new ATOM 0 HD2 PHE A 41 2.757 35.341 5.815 1.00 54.01 H new ATOM 0 HE1 PHE A 41 4.780 37.049 1.671 1.00 3.32 H new ATOM 0 HE2 PHE A 41 3.964 37.480 5.833 1.00 23.44 H new ATOM 0 HZ PHE A 41 4.976 38.340 3.760 1.00 64.34 H new ATOM 683 N ASP A 42 2.831 32.036 6.232 1.00 24.02 N ATOM 684 CA ASP A 42 3.171 31.908 7.645 1.00 43.44 C ATOM 685 C ASP A 42 4.242 30.842 7.852 1.00 60.33 C ATOM 686 O ASP A 42 4.897 30.800 8.893 1.00 23.01 O ATOM 687 CB ASP A 42 1.925 31.563 8.462 1.00 43.52 C ATOM 688 CG ASP A 42 1.363 32.765 9.195 1.00 54.42 C ATOM 689 OD1 ASP A 42 0.753 33.632 8.534 1.00 50.14 O ATOM 690 OD2 ASP A 42 1.531 32.839 10.430 1.00 61.12 O ATOM 0 H ASP A 42 1.849 31.863 6.017 1.00 24.02 H new ATOM 0 HA ASP A 42 3.566 32.865 7.986 1.00 43.44 H new ATOM 0 HB2 ASP A 42 1.161 31.155 7.800 1.00 43.52 H new ATOM 0 HB3 ASP A 42 2.171 30.784 9.183 1.00 43.52 H new ATOM 695 N ARG A 43 4.413 29.981 6.854 1.00 61.22 N ATOM 696 CA ARG A 43 5.402 28.912 6.928 1.00 45.54 C ATOM 697 C ARG A 43 6.723 29.350 6.299 1.00 35.35 C ATOM 698 O ARG A 43 7.798 28.962 6.757 1.00 11.31 O ATOM 699 CB ARG A 43 4.882 27.657 6.225 1.00 1.11 C ATOM 700 CG ARG A 43 5.958 26.616 5.962 1.00 41.43 C ATOM 701 CD ARG A 43 6.640 26.182 7.249 1.00 5.35 C ATOM 702 NE ARG A 43 7.764 25.284 6.998 1.00 44.44 N ATOM 703 CZ ARG A 43 8.612 24.886 7.940 1.00 72.44 C ATOM 704 NH1 ARG A 43 8.463 25.303 9.189 1.00 22.53 N ATOM 705 NH2 ARG A 43 9.610 24.067 7.632 1.00 3.43 N ATOM 0 H ARG A 43 3.880 30.003 5.985 1.00 61.22 H new ATOM 0 HA ARG A 43 5.577 28.685 7.980 1.00 45.54 H new ATOM 0 HB2 ARG A 43 4.096 27.209 6.833 1.00 1.11 H new ATOM 0 HB3 ARG A 43 4.427 27.944 5.277 1.00 1.11 H new ATOM 0 HG2 ARG A 43 5.515 25.748 5.474 1.00 41.43 H new ATOM 0 HG3 ARG A 43 6.700 27.024 5.275 1.00 41.43 H new ATOM 0 HD2 ARG A 43 6.993 27.062 7.787 1.00 5.35 H new ATOM 0 HD3 ARG A 43 5.915 25.684 7.893 1.00 5.35 H new ATOM 0 HE ARG A 43 7.906 24.944 6.047 1.00 44.44 H new ATOM 0 HH11 ARG A 43 7.696 25.931 9.429 1.00 22.53 H new ATOM 0 HH12 ARG A 43 9.115 24.996 9.910 1.00 22.53 H new ATOM 0 HH21 ARG A 43 9.726 23.743 6.672 1.00 3.43 H new ATOM 0 HH22 ARG A 43 10.261 23.762 8.355 1.00 3.43 H new ATOM 719 N TYR A 44 6.633 30.158 5.249 1.00 32.21 N ATOM 720 CA TYR A 44 7.819 30.645 4.556 1.00 4.32 C ATOM 721 C TYR A 44 8.464 31.796 5.323 1.00 54.32 C ATOM 722 O TYR A 44 9.670 32.024 5.227 1.00 73.13 O ATOM 723 CB TYR A 44 7.459 31.099 3.141 1.00 53.23 C ATOM 724 CG TYR A 44 8.003 30.195 2.058 1.00 42.43 C ATOM 725 CD1 TYR A 44 7.348 29.020 1.713 1.00 72.35 C ATOM 726 CD2 TYR A 44 9.173 30.516 1.381 1.00 40.25 C ATOM 727 CE1 TYR A 44 7.842 28.190 0.724 1.00 12.32 C ATOM 728 CE2 TYR A 44 9.673 29.694 0.390 1.00 65.41 C ATOM 729 CZ TYR A 44 9.004 28.532 0.066 1.00 65.24 C ATOM 730 OH TYR A 44 9.501 27.709 -0.920 1.00 15.14 O ATOM 0 H TYR A 44 5.751 30.490 4.859 1.00 32.21 H new ATOM 0 HA TYR A 44 8.535 29.826 4.496 1.00 4.32 H new ATOM 0 HB2 TYR A 44 6.374 31.149 3.050 1.00 53.23 H new ATOM 0 HB3 TYR A 44 7.839 32.109 2.985 1.00 53.23 H new ATOM 0 HD1 TYR A 44 6.437 28.750 2.226 1.00 72.35 H new ATOM 0 HD2 TYR A 44 9.701 31.424 1.634 1.00 40.25 H new ATOM 0 HE1 TYR A 44 7.321 27.279 0.468 1.00 12.32 H new ATOM 0 HE2 TYR A 44 10.583 29.960 -0.128 1.00 65.41 H new ATOM 0 HH TYR A 44 8.761 27.239 -1.358 1.00 15.14 H new ATOM 740 N VAL A 45 7.650 32.520 6.085 1.00 32.33 N ATOM 741 CA VAL A 45 8.139 33.646 6.871 1.00 54.51 C ATOM 742 C VAL A 45 9.262 33.217 7.808 1.00 51.02 C ATOM 743 O VAL A 45 10.130 34.016 8.160 1.00 61.13 O ATOM 744 CB VAL A 45 7.009 34.285 7.701 1.00 74.55 C ATOM 745 CG1 VAL A 45 5.964 34.910 6.789 1.00 60.24 C ATOM 746 CG2 VAL A 45 6.375 33.252 8.621 1.00 64.33 C ATOM 0 H VAL A 45 6.649 32.346 6.174 1.00 32.33 H new ATOM 0 HA VAL A 45 8.521 34.382 6.164 1.00 54.51 H new ATOM 0 HB VAL A 45 7.437 35.075 8.318 1.00 74.55 H new ATOM 0 HG11 VAL A 45 5.174 35.356 7.393 1.00 60.24 H new ATOM 0 HG12 VAL A 45 6.431 35.681 6.175 1.00 60.24 H new ATOM 0 HG13 VAL A 45 5.538 34.142 6.144 1.00 60.24 H new ATOM 0 HG21 VAL A 45 5.579 33.720 9.200 1.00 64.33 H new ATOM 0 HG22 VAL A 45 5.960 32.439 8.025 1.00 64.33 H new ATOM 0 HG23 VAL A 45 7.131 32.855 9.299 1.00 64.33 H new ATOM 756 N ARG A 46 9.239 31.950 8.208 1.00 21.03 N ATOM 757 CA ARG A 46 10.256 31.414 9.105 1.00 35.15 C ATOM 758 C ARG A 46 11.432 30.846 8.317 1.00 72.22 C ATOM 759 O ARG A 46 12.299 30.174 8.875 1.00 24.34 O ATOM 760 CB ARG A 46 9.655 30.328 10.000 1.00 61.42 C ATOM 761 CG ARG A 46 9.270 30.822 11.384 1.00 3.54 C ATOM 762 CD ARG A 46 9.113 29.670 12.364 1.00 11.10 C ATOM 763 NE ARG A 46 8.194 29.997 13.451 1.00 40.30 N ATOM 764 CZ ARG A 46 8.096 29.288 14.570 1.00 65.34 C ATOM 765 NH1 ARG A 46 8.858 28.217 14.748 1.00 72.11 N ATOM 766 NH2 ARG A 46 7.236 29.649 15.513 1.00 3.01 N ATOM 0 H ARG A 46 8.528 31.276 7.925 1.00 21.03 H new ATOM 0 HA ARG A 46 10.620 32.230 9.729 1.00 35.15 H new ATOM 0 HB2 ARG A 46 8.772 29.915 9.512 1.00 61.42 H new ATOM 0 HB3 ARG A 46 10.373 29.514 10.101 1.00 61.42 H new ATOM 0 HG2 ARG A 46 10.031 31.511 11.750 1.00 3.54 H new ATOM 0 HG3 ARG A 46 8.336 31.381 11.325 1.00 3.54 H new ATOM 0 HD2 ARG A 46 8.749 28.790 11.834 1.00 11.10 H new ATOM 0 HD3 ARG A 46 10.087 29.411 12.779 1.00 11.10 H new ATOM 0 HE ARG A 46 7.594 30.815 13.345 1.00 40.30 H new ATOM 0 HH11 ARG A 46 9.521 27.937 14.025 1.00 72.11 H new ATOM 0 HH12 ARG A 46 8.781 27.674 15.608 1.00 72.11 H new ATOM 0 HH21 ARG A 46 6.649 30.472 15.380 1.00 3.01 H new ATOM 0 HH22 ARG A 46 7.162 29.103 16.372 1.00 3.01 H new ATOM 780 N ILE A 47 11.453 31.120 7.017 1.00 45.01 N ATOM 781 CA ILE A 47 12.523 30.637 6.152 1.00 20.25 C ATOM 782 C ILE A 47 13.072 31.759 5.278 1.00 23.20 C ATOM 783 O ILE A 47 14.192 32.228 5.483 1.00 71.24 O ATOM 784 CB ILE A 47 12.041 29.487 5.249 1.00 35.52 C ATOM 785 CG1 ILE A 47 11.537 28.318 6.099 1.00 14.43 C ATOM 786 CG2 ILE A 47 13.161 29.032 4.326 1.00 3.21 C ATOM 787 CD1 ILE A 47 10.679 27.338 5.331 1.00 72.32 C ATOM 0 H ILE A 47 10.742 31.674 6.539 1.00 45.01 H new ATOM 0 HA ILE A 47 13.314 30.268 6.805 1.00 20.25 H new ATOM 0 HB ILE A 47 11.216 29.849 4.636 1.00 35.52 H new ATOM 0 HG12 ILE A 47 12.393 27.789 6.518 1.00 14.43 H new ATOM 0 HG13 ILE A 47 10.963 28.711 6.938 1.00 14.43 H new ATOM 0 HG21 ILE A 47 12.804 28.219 3.694 1.00 3.21 H new ATOM 0 HG22 ILE A 47 13.478 29.866 3.700 1.00 3.21 H new ATOM 0 HG23 ILE A 47 14.005 28.685 4.922 1.00 3.21 H new ATOM 0 HD11 ILE A 47 10.358 26.537 5.996 1.00 72.32 H new ATOM 0 HD12 ILE A 47 9.804 27.853 4.935 1.00 72.32 H new ATOM 0 HD13 ILE A 47 11.256 26.917 4.508 1.00 72.32 H new ATOM 799 N SER A 48 12.276 32.186 4.303 1.00 12.15 N ATOM 800 CA SER A 48 12.683 33.252 3.396 1.00 54.42 C ATOM 801 C SER A 48 11.628 34.354 3.344 1.00 21.22 C ATOM 802 O SER A 48 11.952 35.532 3.198 1.00 3.54 O ATOM 803 CB SER A 48 12.921 32.693 1.992 1.00 21.21 C ATOM 804 OG SER A 48 13.624 31.463 2.046 1.00 55.22 O ATOM 0 H SER A 48 11.345 31.810 4.121 1.00 12.15 H new ATOM 0 HA SER A 48 13.612 33.680 3.772 1.00 54.42 H new ATOM 0 HB2 SER A 48 11.965 32.548 1.488 1.00 21.21 H new ATOM 0 HB3 SER A 48 13.487 33.413 1.401 1.00 21.21 H new ATOM 0 HG SER A 48 13.762 31.125 1.137 1.00 55.22 H new ATOM 810 N ASP A 49 10.365 33.961 3.465 1.00 70.54 N ATOM 811 CA ASP A 49 9.261 34.913 3.433 1.00 43.11 C ATOM 812 C ASP A 49 9.095 35.506 2.037 1.00 30.11 C ATOM 813 O ASP A 49 9.321 36.697 1.826 1.00 45.44 O ATOM 814 CB ASP A 49 9.495 36.031 4.451 1.00 73.34 C ATOM 815 CG ASP A 49 8.199 36.642 4.947 1.00 60.22 C ATOM 816 OD1 ASP A 49 7.208 36.632 4.186 1.00 23.43 O ATOM 817 OD2 ASP A 49 8.175 37.130 6.096 1.00 64.50 O ATOM 0 H ASP A 49 10.080 32.989 3.586 1.00 70.54 H new ATOM 0 HA ASP A 49 8.346 34.380 3.693 1.00 43.11 H new ATOM 0 HB2 ASP A 49 10.055 35.636 5.299 1.00 73.34 H new ATOM 0 HB3 ASP A 49 10.110 36.808 3.998 1.00 73.34 H new ATOM 822 N LYS A 50 8.699 34.666 1.087 1.00 52.13 N ATOM 823 CA LYS A 50 8.502 35.105 -0.290 1.00 14.54 C ATOM 824 C LYS A 50 7.926 33.980 -1.143 1.00 22.31 C ATOM 825 O LYS A 50 8.232 33.869 -2.330 1.00 55.14 O ATOM 826 CB LYS A 50 9.825 35.587 -0.887 1.00 44.44 C ATOM 827 CG LYS A 50 10.827 34.471 -1.126 1.00 61.03 C ATOM 828 CD LYS A 50 12.115 34.703 -0.354 1.00 62.13 C ATOM 829 CE LYS A 50 12.826 35.963 -0.823 1.00 4.25 C ATOM 830 NZ LYS A 50 14.256 35.980 -0.407 1.00 3.22 N ATOM 0 H LYS A 50 8.508 33.677 1.245 1.00 52.13 H new ATOM 0 HA LYS A 50 7.791 35.931 -0.283 1.00 14.54 H new ATOM 0 HB2 LYS A 50 9.625 36.093 -1.832 1.00 44.44 H new ATOM 0 HB3 LYS A 50 10.268 36.325 -0.218 1.00 44.44 H new ATOM 0 HG2 LYS A 50 10.390 33.518 -0.828 1.00 61.03 H new ATOM 0 HG3 LYS A 50 11.048 34.401 -2.191 1.00 61.03 H new ATOM 0 HD2 LYS A 50 11.893 34.784 0.710 1.00 62.13 H new ATOM 0 HD3 LYS A 50 12.775 33.844 -0.478 1.00 62.13 H new ATOM 0 HE2 LYS A 50 12.763 36.033 -1.909 1.00 4.25 H new ATOM 0 HE3 LYS A 50 12.319 36.839 -0.417 1.00 4.25 H new ATOM 0 HZ1 LYS A 50 14.706 36.855 -0.746 1.00 3.22 H new ATOM 0 HZ2 LYS A 50 14.316 35.939 0.630 1.00 3.22 H new ATOM 0 HZ3 LYS A 50 14.746 35.158 -0.815 1.00 3.22 H new ATOM 844 N VAL A 51 7.091 33.147 -0.530 1.00 72.45 N ATOM 845 CA VAL A 51 6.471 32.031 -1.235 1.00 35.11 C ATOM 846 C VAL A 51 5.749 32.507 -2.491 1.00 22.21 C ATOM 847 O VAL A 51 5.879 31.909 -3.559 1.00 23.50 O ATOM 848 CB VAL A 51 5.470 31.285 -0.333 1.00 74.50 C ATOM 849 CG1 VAL A 51 4.458 32.254 0.259 1.00 1.10 C ATOM 850 CG2 VAL A 51 4.770 30.182 -1.113 1.00 20.30 C ATOM 0 H VAL A 51 6.828 33.224 0.453 1.00 72.45 H new ATOM 0 HA VAL A 51 7.274 31.349 -1.517 1.00 35.11 H new ATOM 0 HB VAL A 51 6.021 30.826 0.488 1.00 74.50 H new ATOM 0 HG11 VAL A 51 3.759 31.708 0.893 1.00 1.10 H new ATOM 0 HG12 VAL A 51 4.978 33.005 0.854 1.00 1.10 H new ATOM 0 HG13 VAL A 51 3.910 32.745 -0.546 1.00 1.10 H new ATOM 0 HG21 VAL A 51 4.066 29.665 -0.460 1.00 20.30 H new ATOM 0 HG22 VAL A 51 4.232 30.617 -1.955 1.00 20.30 H new ATOM 0 HG23 VAL A 51 5.510 29.472 -1.483 1.00 20.30 H new ATOM 860 N VAL A 52 4.988 33.588 -2.356 1.00 10.12 N ATOM 861 CA VAL A 52 4.246 34.146 -3.480 1.00 44.32 C ATOM 862 C VAL A 52 5.167 34.421 -4.664 1.00 3.24 C ATOM 863 O VAL A 52 4.771 34.274 -5.819 1.00 43.31 O ATOM 864 CB VAL A 52 3.530 35.452 -3.087 1.00 70.02 C ATOM 865 CG1 VAL A 52 3.006 36.166 -4.323 1.00 53.44 C ATOM 866 CG2 VAL A 52 2.402 35.166 -2.108 1.00 13.12 C ATOM 0 H VAL A 52 4.869 34.095 -1.479 1.00 10.12 H new ATOM 0 HA VAL A 52 3.501 33.404 -3.767 1.00 44.32 H new ATOM 0 HB VAL A 52 4.249 36.107 -2.596 1.00 70.02 H new ATOM 0 HG11 VAL A 52 2.503 37.086 -4.026 1.00 53.44 H new ATOM 0 HG12 VAL A 52 3.838 36.405 -4.985 1.00 53.44 H new ATOM 0 HG13 VAL A 52 2.301 35.520 -4.845 1.00 53.44 H new ATOM 0 HG21 VAL A 52 1.907 36.099 -1.841 1.00 13.12 H new ATOM 0 HG22 VAL A 52 1.681 34.492 -2.571 1.00 13.12 H new ATOM 0 HG23 VAL A 52 2.809 34.701 -1.210 1.00 13.12 H new ATOM 876 N GLY A 53 6.400 34.821 -4.367 1.00 3.01 N ATOM 877 CA GLY A 53 7.359 35.110 -5.417 1.00 63.11 C ATOM 878 C GLY A 53 7.835 33.859 -6.128 1.00 24.53 C ATOM 879 O GLY A 53 8.119 33.887 -7.326 1.00 5.24 O ATOM 0 H GLY A 53 6.751 34.950 -3.418 1.00 3.01 H new ATOM 0 HA2 GLY A 53 6.906 35.786 -6.142 1.00 63.11 H new ATOM 0 HA3 GLY A 53 8.216 35.629 -4.989 1.00 63.11 H new ATOM 883 N ILE A 54 7.925 32.758 -5.389 1.00 35.04 N ATOM 884 CA ILE A 54 8.370 31.491 -5.956 1.00 3.42 C ATOM 885 C ILE A 54 7.263 30.836 -6.775 1.00 24.14 C ATOM 886 O ILE A 54 7.529 30.157 -7.767 1.00 64.42 O ATOM 887 CB ILE A 54 8.829 30.514 -4.858 1.00 64.52 C ATOM 888 CG1 ILE A 54 9.981 31.120 -4.054 1.00 22.42 C ATOM 889 CG2 ILE A 54 9.246 29.186 -5.472 1.00 63.45 C ATOM 890 CD1 ILE A 54 9.977 30.718 -2.595 1.00 53.14 C ATOM 0 H ILE A 54 7.696 32.718 -4.396 1.00 35.04 H new ATOM 0 HA ILE A 54 9.215 31.716 -6.607 1.00 3.42 H new ATOM 0 HB ILE A 54 7.994 30.333 -4.181 1.00 64.52 H new ATOM 0 HG12 ILE A 54 10.926 30.816 -4.504 1.00 22.42 H new ATOM 0 HG13 ILE A 54 9.930 32.207 -4.123 1.00 22.42 H new ATOM 0 HG21 ILE A 54 9.568 28.506 -4.684 1.00 63.45 H new ATOM 0 HG22 ILE A 54 8.401 28.750 -6.005 1.00 63.45 H new ATOM 0 HG23 ILE A 54 10.068 29.349 -6.168 1.00 63.45 H new ATOM 0 HD11 ILE A 54 10.821 31.184 -2.087 1.00 53.14 H new ATOM 0 HD12 ILE A 54 9.047 31.046 -2.130 1.00 53.14 H new ATOM 0 HD13 ILE A 54 10.060 29.634 -2.516 1.00 53.14 H new ATOM 902 N LEU A 55 6.021 31.045 -6.354 1.00 30.13 N ATOM 903 CA LEU A 55 4.872 30.476 -7.049 1.00 34.10 C ATOM 904 C LEU A 55 4.920 30.803 -8.538 1.00 73.51 C ATOM 905 O LEU A 55 4.451 30.026 -9.369 1.00 74.33 O ATOM 906 CB LEU A 55 3.571 31.003 -6.441 1.00 53.22 C ATOM 907 CG LEU A 55 3.262 30.545 -5.015 1.00 50.43 C ATOM 908 CD1 LEU A 55 1.883 31.023 -4.588 1.00 51.31 C ATOM 909 CD2 LEU A 55 3.360 29.031 -4.909 1.00 24.45 C ATOM 0 H LEU A 55 5.784 31.604 -5.535 1.00 30.13 H new ATOM 0 HA LEU A 55 4.908 29.393 -6.932 1.00 34.10 H new ATOM 0 HB2 LEU A 55 3.603 32.092 -6.452 1.00 53.22 H new ATOM 0 HB3 LEU A 55 2.745 30.702 -7.085 1.00 53.22 H new ATOM 0 HG LEU A 55 4.000 30.985 -4.344 1.00 50.43 H new ATOM 0 HD11 LEU A 55 1.681 30.688 -3.571 1.00 51.31 H new ATOM 0 HD12 LEU A 55 1.848 32.112 -4.625 1.00 51.31 H new ATOM 0 HD13 LEU A 55 1.131 30.613 -5.262 1.00 51.31 H new ATOM 0 HD21 LEU A 55 3.137 28.723 -3.888 1.00 24.45 H new ATOM 0 HD22 LEU A 55 2.645 28.571 -5.591 1.00 24.45 H new ATOM 0 HD23 LEU A 55 4.369 28.712 -5.172 1.00 24.45 H new ATOM 921 N MET A 56 5.492 31.956 -8.868 1.00 13.05 N ATOM 922 CA MET A 56 5.604 32.383 -10.257 1.00 41.42 C ATOM 923 C MET A 56 6.420 31.383 -11.069 1.00 60.35 C ATOM 924 O MET A 56 6.151 31.161 -12.250 1.00 53.42 O ATOM 925 CB MET A 56 6.249 33.769 -10.337 1.00 32.44 C ATOM 926 CG MET A 56 5.532 34.821 -9.506 1.00 50.04 C ATOM 927 SD MET A 56 6.079 36.497 -9.886 1.00 61.44 S ATOM 928 CE MET A 56 4.818 37.461 -9.057 1.00 30.31 C ATOM 0 H MET A 56 5.885 32.611 -8.192 1.00 13.05 H new ATOM 0 HA MET A 56 4.600 32.433 -10.677 1.00 41.42 H new ATOM 0 HB2 MET A 56 7.285 33.699 -10.004 1.00 32.44 H new ATOM 0 HB3 MET A 56 6.270 34.092 -11.378 1.00 32.44 H new ATOM 0 HG2 MET A 56 4.458 34.745 -9.679 1.00 50.04 H new ATOM 0 HG3 MET A 56 5.700 34.619 -8.448 1.00 50.04 H new ATOM 0 HE1 MET A 56 5.019 38.523 -9.201 1.00 30.31 H new ATOM 0 HE2 MET A 56 3.841 37.217 -9.473 1.00 30.31 H new ATOM 0 HE3 MET A 56 4.826 37.231 -7.992 1.00 30.31 H new ATOM 938 N ARG A 57 7.418 30.781 -10.430 1.00 14.44 N ATOM 939 CA ARG A 57 8.273 29.806 -11.094 1.00 23.43 C ATOM 940 C ARG A 57 7.520 28.502 -11.342 1.00 22.12 C ATOM 941 O ARG A 57 7.444 28.023 -12.473 1.00 11.21 O ATOM 942 CB ARG A 57 9.522 29.534 -10.252 1.00 74.22 C ATOM 943 CG ARG A 57 10.352 28.364 -10.754 1.00 75.42 C ATOM 944 CD ARG A 57 11.533 28.086 -9.839 1.00 25.43 C ATOM 945 NE ARG A 57 12.705 27.629 -10.581 1.00 63.10 N ATOM 946 CZ ARG A 57 12.774 26.453 -11.194 1.00 62.52 C ATOM 947 NH1 ARG A 57 11.744 25.619 -11.154 1.00 60.11 N ATOM 948 NH2 ARG A 57 13.875 26.108 -11.850 1.00 3.22 N ATOM 0 H ARG A 57 7.654 30.952 -9.453 1.00 14.44 H new ATOM 0 HA ARG A 57 8.575 30.220 -12.056 1.00 23.43 H new ATOM 0 HB2 ARG A 57 10.143 30.430 -10.239 1.00 74.22 H new ATOM 0 HB3 ARG A 57 9.221 29.340 -9.223 1.00 74.22 H new ATOM 0 HG2 ARG A 57 9.726 27.475 -10.822 1.00 75.42 H new ATOM 0 HG3 ARG A 57 10.712 28.577 -11.760 1.00 75.42 H new ATOM 0 HD2 ARG A 57 11.784 28.991 -9.286 1.00 25.43 H new ATOM 0 HD3 ARG A 57 11.252 27.331 -9.104 1.00 25.43 H new ATOM 0 HE ARG A 57 13.515 28.247 -10.631 1.00 63.10 H new ATOM 0 HH11 ARG A 57 10.896 25.880 -10.651 1.00 60.11 H new ATOM 0 HH12 ARG A 57 11.800 24.716 -11.626 1.00 60.11 H new ATOM 0 HH21 ARG A 57 14.670 26.746 -11.884 1.00 3.22 H new ATOM 0 HH22 ARG A 57 13.926 25.204 -12.320 1.00 3.22 H new ATOM 962 N ALA A 58 6.966 27.933 -10.276 1.00 62.33 N ATOM 963 CA ALA A 58 6.218 26.686 -10.379 1.00 22.25 C ATOM 964 C ALA A 58 5.044 26.827 -11.341 1.00 41.22 C ATOM 965 O ALA A 58 4.650 25.865 -12.000 1.00 31.21 O ATOM 966 CB ALA A 58 5.728 26.250 -9.006 1.00 0.34 C ATOM 0 H ALA A 58 7.021 28.316 -9.332 1.00 62.33 H new ATOM 0 HA ALA A 58 6.887 25.922 -10.774 1.00 22.25 H new ATOM 0 HB1 ALA A 58 5.171 25.318 -9.098 1.00 0.34 H new ATOM 0 HB2 ALA A 58 6.582 26.099 -8.346 1.00 0.34 H new ATOM 0 HB3 ALA A 58 5.079 27.021 -8.590 1.00 0.34 H new ATOM 972 N ARG A 59 4.489 28.032 -11.417 1.00 40.41 N ATOM 973 CA ARG A 59 3.358 28.299 -12.298 1.00 64.31 C ATOM 974 C ARG A 59 3.762 28.146 -13.762 1.00 11.32 C ATOM 975 O ARG A 59 2.935 27.824 -14.615 1.00 52.51 O ATOM 976 CB ARG A 59 2.813 29.707 -12.052 1.00 64.22 C ATOM 977 CG ARG A 59 1.438 29.941 -12.654 1.00 53.24 C ATOM 978 CD ARG A 59 1.136 31.425 -12.794 1.00 42.13 C ATOM 979 NE ARG A 59 -0.299 31.689 -12.849 1.00 50.32 N ATOM 980 CZ ARG A 59 -0.820 32.910 -12.900 1.00 51.14 C ATOM 981 NH1 ARG A 59 -0.028 33.973 -12.904 1.00 42.12 N ATOM 982 NH2 ARG A 59 -2.137 33.069 -12.949 1.00 4.44 N ATOM 0 H ARG A 59 4.804 28.839 -10.879 1.00 40.41 H new ATOM 0 HA ARG A 59 2.577 27.572 -12.076 1.00 64.31 H new ATOM 0 HB2 ARG A 59 2.765 29.887 -10.978 1.00 64.22 H new ATOM 0 HB3 ARG A 59 3.510 30.435 -12.466 1.00 64.22 H new ATOM 0 HG2 ARG A 59 1.382 29.463 -13.632 1.00 53.24 H new ATOM 0 HG3 ARG A 59 0.680 29.472 -12.026 1.00 53.24 H new ATOM 0 HD2 ARG A 59 1.572 31.964 -11.953 1.00 42.13 H new ATOM 0 HD3 ARG A 59 1.610 31.808 -13.698 1.00 42.13 H new ATOM 0 HE ARG A 59 -0.936 30.893 -12.848 1.00 50.32 H new ATOM 0 HH11 ARG A 59 0.984 33.855 -12.868 1.00 42.12 H new ATOM 0 HH12 ARG A 59 -0.431 34.909 -12.943 1.00 42.12 H new ATOM 0 HH21 ARG A 59 -2.750 32.253 -12.947 1.00 4.44 H new ATOM 0 HH22 ARG A 59 -2.536 34.007 -12.988 1.00 4.44 H new ATOM 996 N LYS A 60 5.039 28.380 -14.045 1.00 53.35 N ATOM 997 CA LYS A 60 5.554 28.269 -15.405 1.00 32.20 C ATOM 998 C LYS A 60 5.182 26.923 -16.019 1.00 23.10 C ATOM 999 O LYS A 60 4.950 26.822 -17.224 1.00 61.11 O ATOM 1000 CB LYS A 60 7.074 28.442 -15.412 1.00 43.31 C ATOM 1001 CG LYS A 60 7.535 29.795 -14.897 1.00 54.13 C ATOM 1002 CD LYS A 60 7.765 30.776 -16.035 1.00 34.21 C ATOM 1003 CE LYS A 60 7.311 32.179 -15.662 1.00 32.34 C ATOM 1004 NZ LYS A 60 8.454 33.130 -15.588 1.00 52.32 N ATOM 0 H LYS A 60 5.737 28.648 -13.351 1.00 53.35 H new ATOM 0 HA LYS A 60 5.102 29.059 -16.004 1.00 32.20 H new ATOM 0 HB2 LYS A 60 7.523 27.658 -14.802 1.00 43.31 H new ATOM 0 HB3 LYS A 60 7.442 28.305 -16.429 1.00 43.31 H new ATOM 0 HG2 LYS A 60 6.789 30.199 -14.213 1.00 54.13 H new ATOM 0 HG3 LYS A 60 8.457 29.674 -14.328 1.00 54.13 H new ATOM 0 HD2 LYS A 60 8.824 30.792 -16.295 1.00 34.21 H new ATOM 0 HD3 LYS A 60 7.225 30.441 -16.920 1.00 34.21 H new ATOM 0 HE2 LYS A 60 6.589 32.535 -16.397 1.00 32.34 H new ATOM 0 HE3 LYS A 60 6.799 32.151 -14.700 1.00 32.34 H new ATOM 0 HZ1 LYS A 60 8.103 34.075 -15.331 1.00 52.32 H new ATOM 0 HZ2 LYS A 60 9.130 32.804 -14.868 1.00 52.32 H new ATOM 0 HZ3 LYS A 60 8.928 33.176 -16.513 1.00 52.32 H new ATOM 1018 N HIS A 61 5.126 25.891 -15.183 1.00 3.24 N ATOM 1019 CA HIS A 61 4.780 24.551 -15.644 1.00 5.24 C ATOM 1020 C HIS A 61 3.449 24.100 -15.052 1.00 15.11 C ATOM 1021 O HIS A 61 3.240 22.914 -14.800 1.00 11.25 O ATOM 1022 CB HIS A 61 5.881 23.559 -15.267 1.00 3.44 C ATOM 1023 CG HIS A 61 7.195 23.842 -15.929 1.00 34.01 C ATOM 1024 ND1 HIS A 61 8.356 23.167 -15.616 1.00 51.50 N ATOM 1025 CD2 HIS A 61 7.526 24.731 -16.894 1.00 2.31 C ATOM 1026 CE1 HIS A 61 9.345 23.631 -16.359 1.00 23.15 C ATOM 1027 NE2 HIS A 61 8.868 24.580 -17.143 1.00 2.50 N ATOM 0 H HIS A 61 5.316 25.957 -14.183 1.00 3.24 H new ATOM 0 HA HIS A 61 4.684 24.581 -16.729 1.00 5.24 H new ATOM 0 HB2 HIS A 61 6.018 23.574 -14.186 1.00 3.44 H new ATOM 0 HB3 HIS A 61 5.559 22.552 -15.533 1.00 3.44 H new ATOM 0 HD2 HIS A 61 6.859 25.429 -17.378 1.00 2.31 H new ATOM 0 HE1 HIS A 61 10.370 23.292 -16.330 1.00 23.15 H new ATOM 0 HE2 HIS A 61 9.408 25.114 -17.823 1.00 2.50 H new ATOM 1035 N GLY A 62 2.550 25.055 -14.832 1.00 51.31 N ATOM 1036 CA GLY A 62 1.250 24.736 -14.271 1.00 2.20 C ATOM 1037 C GLY A 62 1.353 23.918 -12.999 1.00 11.21 C ATOM 1038 O GLY A 62 0.969 22.748 -12.971 1.00 53.24 O ATOM 0 H GLY A 62 2.699 26.044 -15.032 1.00 51.31 H new ATOM 0 HA2 GLY A 62 0.711 25.660 -14.062 1.00 2.20 H new ATOM 0 HA3 GLY A 62 0.665 24.185 -15.007 1.00 2.20 H new ATOM 1042 N LEU A 63 1.874 24.533 -11.943 1.00 31.12 N ATOM 1043 CA LEU A 63 2.028 23.854 -10.661 1.00 71.40 C ATOM 1044 C LEU A 63 1.127 24.480 -9.601 1.00 63.31 C ATOM 1045 O LEU A 63 0.757 23.830 -8.623 1.00 70.13 O ATOM 1046 CB LEU A 63 3.487 23.909 -10.204 1.00 72.23 C ATOM 1047 CG LEU A 63 3.807 23.189 -8.894 1.00 5.22 C ATOM 1048 CD1 LEU A 63 3.471 24.073 -7.703 1.00 52.41 C ATOM 1049 CD2 LEU A 63 3.053 21.870 -8.811 1.00 41.21 C ATOM 0 H LEU A 63 2.197 25.501 -11.949 1.00 31.12 H new ATOM 0 HA LEU A 63 1.734 22.813 -10.792 1.00 71.40 H new ATOM 0 HB2 LEU A 63 4.110 23.483 -10.991 1.00 72.23 H new ATOM 0 HB3 LEU A 63 3.775 24.955 -10.100 1.00 72.23 H new ATOM 0 HG LEU A 63 4.876 22.975 -8.872 1.00 5.22 H new ATOM 0 HD11 LEU A 63 3.705 23.544 -6.779 1.00 52.41 H new ATOM 0 HD12 LEU A 63 4.057 24.991 -7.754 1.00 52.41 H new ATOM 0 HD13 LEU A 63 2.409 24.319 -7.721 1.00 52.41 H new ATOM 0 HD21 LEU A 63 3.293 21.372 -7.872 1.00 41.21 H new ATOM 0 HD22 LEU A 63 1.981 22.060 -8.857 1.00 41.21 H new ATOM 0 HD23 LEU A 63 3.344 21.231 -9.645 1.00 41.21 H new ATOM 1061 N VAL A 64 0.776 25.746 -9.803 1.00 63.10 N ATOM 1062 CA VAL A 64 -0.084 26.459 -8.867 1.00 0.43 C ATOM 1063 C VAL A 64 -1.361 26.937 -9.549 1.00 10.34 C ATOM 1064 O VAL A 64 -1.316 27.736 -10.485 1.00 72.42 O ATOM 1065 CB VAL A 64 0.640 27.671 -8.251 1.00 3.04 C ATOM 1066 CG1 VAL A 64 1.736 27.212 -7.301 1.00 31.15 C ATOM 1067 CG2 VAL A 64 1.210 28.563 -9.343 1.00 71.13 C ATOM 0 H VAL A 64 1.074 26.299 -10.607 1.00 63.10 H new ATOM 0 HA VAL A 64 -0.340 25.756 -8.074 1.00 0.43 H new ATOM 0 HB VAL A 64 -0.084 28.252 -7.680 1.00 3.04 H new ATOM 0 HG11 VAL A 64 2.236 28.082 -6.875 1.00 31.15 H new ATOM 0 HG12 VAL A 64 1.297 26.618 -6.500 1.00 31.15 H new ATOM 0 HG13 VAL A 64 2.461 26.607 -7.846 1.00 31.15 H new ATOM 0 HG21 VAL A 64 1.718 29.414 -8.889 1.00 71.13 H new ATOM 0 HG22 VAL A 64 1.920 27.994 -9.943 1.00 71.13 H new ATOM 0 HG23 VAL A 64 0.401 28.921 -9.980 1.00 71.13 H new ATOM 1077 N HIS A 65 -2.500 26.444 -9.072 1.00 41.14 N ATOM 1078 CA HIS A 65 -3.791 26.822 -9.636 1.00 33.25 C ATOM 1079 C HIS A 65 -4.335 28.074 -8.955 1.00 14.20 C ATOM 1080 O HIS A 65 -5.480 28.469 -9.181 1.00 24.41 O ATOM 1081 CB HIS A 65 -4.790 25.673 -9.490 1.00 53.53 C ATOM 1082 CG HIS A 65 -5.655 25.475 -10.697 1.00 44.23 C ATOM 1083 ND1 HIS A 65 -5.174 25.548 -11.988 1.00 3.45 N ATOM 1084 CD2 HIS A 65 -6.976 25.203 -10.805 1.00 11.02 C ATOM 1085 CE1 HIS A 65 -6.162 25.332 -12.837 1.00 33.35 C ATOM 1086 NE2 HIS A 65 -7.267 25.119 -12.144 1.00 61.12 N ATOM 0 H HIS A 65 -2.555 25.783 -8.297 1.00 41.14 H new ATOM 0 HA HIS A 65 -3.649 27.038 -10.695 1.00 33.25 H new ATOM 0 HB2 HIS A 65 -4.244 24.751 -9.289 1.00 53.53 H new ATOM 0 HB3 HIS A 65 -5.425 25.862 -8.625 1.00 53.53 H new ATOM 0 HD2 HIS A 65 -7.672 25.076 -9.989 1.00 11.02 H new ATOM 0 HE1 HIS A 65 -6.081 25.330 -13.914 1.00 33.35 H new ATOM 0 HE2 HIS A 65 -8.187 24.924 -12.540 1.00 61.12 H new ATOM 1094 N PHE A 66 -3.508 28.695 -8.120 1.00 73.13 N ATOM 1095 CA PHE A 66 -3.907 29.902 -7.405 1.00 71.33 C ATOM 1096 C PHE A 66 -4.327 30.998 -8.380 1.00 73.33 C ATOM 1097 O PHE A 66 -3.991 30.952 -9.563 1.00 51.20 O ATOM 1098 CB PHE A 66 -2.760 30.400 -6.524 1.00 12.05 C ATOM 1099 CG PHE A 66 -1.746 31.222 -7.267 1.00 32.03 C ATOM 1100 CD1 PHE A 66 -1.135 30.727 -8.408 1.00 34.05 C ATOM 1101 CD2 PHE A 66 -1.404 32.489 -6.824 1.00 5.40 C ATOM 1102 CE1 PHE A 66 -0.202 31.481 -9.094 1.00 31.10 C ATOM 1103 CE2 PHE A 66 -0.471 33.248 -7.506 1.00 74.05 C ATOM 1104 CZ PHE A 66 0.131 32.743 -8.642 1.00 70.31 C ATOM 0 H PHE A 66 -2.558 28.382 -7.922 1.00 73.13 H new ATOM 0 HA PHE A 66 -4.761 29.655 -6.774 1.00 71.33 H new ATOM 0 HB2 PHE A 66 -3.171 30.995 -5.708 1.00 12.05 H new ATOM 0 HB3 PHE A 66 -2.261 29.543 -6.073 1.00 12.05 H new ATOM 0 HD1 PHE A 66 -1.391 29.740 -8.765 1.00 34.05 H new ATOM 0 HD2 PHE A 66 -1.871 32.888 -5.936 1.00 5.40 H new ATOM 0 HE1 PHE A 66 0.266 31.084 -9.983 1.00 31.10 H new ATOM 0 HE2 PHE A 66 -0.213 34.235 -7.151 1.00 74.05 H new ATOM 0 HZ PHE A 66 0.861 33.334 -9.176 1.00 70.31 H new ATOM 1114 N GLU A 67 -5.065 31.981 -7.874 1.00 2.01 N ATOM 1115 CA GLU A 67 -5.532 33.088 -8.700 1.00 72.23 C ATOM 1116 C GLU A 67 -4.763 34.367 -8.382 1.00 72.12 C ATOM 1117 O GLU A 67 -4.154 34.490 -7.320 1.00 52.24 O ATOM 1118 CB GLU A 67 -7.031 33.314 -8.488 1.00 44.43 C ATOM 1119 CG GLU A 67 -7.410 33.557 -7.037 1.00 72.31 C ATOM 1120 CD GLU A 67 -8.470 34.630 -6.883 1.00 4.53 C ATOM 1121 OE1 GLU A 67 -9.462 34.598 -7.639 1.00 55.31 O ATOM 1122 OE2 GLU A 67 -8.305 35.503 -6.004 1.00 52.14 O ATOM 0 H GLU A 67 -5.352 32.033 -6.897 1.00 2.01 H new ATOM 0 HA GLU A 67 -5.355 32.829 -9.744 1.00 72.23 H new ATOM 0 HB2 GLU A 67 -7.349 34.168 -9.086 1.00 44.43 H new ATOM 0 HB3 GLU A 67 -7.577 32.445 -8.857 1.00 44.43 H new ATOM 0 HG2 GLU A 67 -7.773 32.627 -6.600 1.00 72.31 H new ATOM 0 HG3 GLU A 67 -6.521 33.847 -6.477 1.00 72.31 H new ATOM 1129 N GLY A 68 -4.796 35.317 -9.312 1.00 0.02 N ATOM 1130 CA GLY A 68 -4.098 36.574 -9.113 1.00 32.21 C ATOM 1131 C GLY A 68 -2.599 36.439 -9.290 1.00 22.13 C ATOM 1132 O GLY A 68 -2.022 35.398 -8.976 1.00 11.34 O ATOM 0 H GLY A 68 -5.293 35.239 -10.199 1.00 0.02 H new ATOM 0 HA2 GLY A 68 -4.479 37.313 -9.818 1.00 32.21 H new ATOM 0 HA3 GLY A 68 -4.310 36.949 -8.112 1.00 32.21 H new ATOM 1136 N GLU A 69 -1.967 37.493 -9.796 1.00 3.34 N ATOM 1137 CA GLU A 69 -0.525 37.486 -10.016 1.00 33.22 C ATOM 1138 C GLU A 69 0.228 37.564 -8.691 1.00 11.20 C ATOM 1139 O GLU A 69 1.411 37.233 -8.617 1.00 73.30 O ATOM 1140 CB GLU A 69 -0.118 38.654 -10.916 1.00 55.13 C ATOM 1141 CG GLU A 69 -0.476 38.448 -12.379 1.00 5.42 C ATOM 1142 CD GLU A 69 -0.412 39.733 -13.181 1.00 43.52 C ATOM 1143 OE1 GLU A 69 -0.643 40.812 -12.595 1.00 61.43 O ATOM 1144 OE2 GLU A 69 -0.130 39.660 -14.396 1.00 0.32 O ATOM 0 H GLU A 69 -2.430 38.362 -10.061 1.00 3.34 H new ATOM 0 HA GLU A 69 -0.263 36.549 -10.508 1.00 33.22 H new ATOM 0 HB2 GLU A 69 -0.600 39.563 -10.557 1.00 55.13 H new ATOM 0 HB3 GLU A 69 0.958 38.809 -10.832 1.00 55.13 H new ATOM 0 HG2 GLU A 69 0.204 37.717 -12.816 1.00 5.42 H new ATOM 0 HG3 GLU A 69 -1.480 38.030 -12.448 1.00 5.42 H new ATOM 1151 N MET A 70 -0.467 38.006 -7.647 1.00 64.35 N ATOM 1152 CA MET A 70 0.136 38.127 -6.325 1.00 40.31 C ATOM 1153 C MET A 70 -0.915 37.963 -5.232 1.00 22.04 C ATOM 1154 O MET A 70 -2.108 38.154 -5.469 1.00 51.45 O ATOM 1155 CB MET A 70 0.832 39.482 -6.181 1.00 15.33 C ATOM 1156 CG MET A 70 1.893 39.736 -7.238 1.00 45.03 C ATOM 1157 SD MET A 70 3.000 41.091 -6.801 1.00 20.35 S ATOM 1158 CE MET A 70 2.935 42.077 -8.294 1.00 63.13 C ATOM 0 H MET A 70 -1.447 38.286 -7.691 1.00 64.35 H new ATOM 0 HA MET A 70 0.875 37.334 -6.216 1.00 40.31 H new ATOM 0 HB2 MET A 70 0.084 40.273 -6.232 1.00 15.33 H new ATOM 0 HB3 MET A 70 1.292 39.542 -5.195 1.00 15.33 H new ATOM 0 HG2 MET A 70 2.478 38.828 -7.386 1.00 45.03 H new ATOM 0 HG3 MET A 70 1.408 39.961 -8.188 1.00 45.03 H new ATOM 0 HE1 MET A 70 3.571 42.954 -8.179 1.00 63.13 H new ATOM 0 HE2 MET A 70 3.286 41.483 -9.138 1.00 63.13 H new ATOM 0 HE3 MET A 70 1.908 42.395 -8.476 1.00 63.13 H new ATOM 1168 N LEU A 71 -0.465 37.607 -4.034 1.00 4.25 N ATOM 1169 CA LEU A 71 -1.366 37.417 -2.903 1.00 35.31 C ATOM 1170 C LEU A 71 -0.923 38.251 -1.706 1.00 2.43 C ATOM 1171 O LEU A 71 0.199 38.108 -1.218 1.00 55.13 O ATOM 1172 CB LEU A 71 -1.425 35.938 -2.515 1.00 5.22 C ATOM 1173 CG LEU A 71 -1.741 34.959 -3.646 1.00 51.30 C ATOM 1174 CD1 LEU A 71 -1.933 33.554 -3.098 1.00 30.13 C ATOM 1175 CD2 LEU A 71 -2.978 35.409 -4.410 1.00 42.21 C ATOM 0 H LEU A 71 0.519 37.444 -3.821 1.00 4.25 H new ATOM 0 HA LEU A 71 -2.360 37.748 -3.204 1.00 35.31 H new ATOM 0 HB2 LEU A 71 -0.466 35.659 -2.078 1.00 5.22 H new ATOM 0 HB3 LEU A 71 -2.178 35.817 -1.736 1.00 5.22 H new ATOM 0 HG LEU A 71 -0.897 34.945 -4.336 1.00 51.30 H new ATOM 0 HD11 LEU A 71 -2.157 32.871 -3.918 1.00 30.13 H new ATOM 0 HD12 LEU A 71 -1.021 33.231 -2.596 1.00 30.13 H new ATOM 0 HD13 LEU A 71 -2.759 33.551 -2.387 1.00 30.13 H new ATOM 0 HD21 LEU A 71 -3.188 34.701 -5.211 1.00 42.21 H new ATOM 0 HD22 LEU A 71 -3.829 35.452 -3.731 1.00 42.21 H new ATOM 0 HD23 LEU A 71 -2.803 36.397 -4.836 1.00 42.21 H new ATOM 1187 N TRP A 72 -1.810 39.121 -1.236 1.00 60.22 N ATOM 1188 CA TRP A 72 -1.510 39.977 -0.094 1.00 52.11 C ATOM 1189 C TRP A 72 -1.958 39.324 1.209 1.00 73.45 C ATOM 1190 O TRP A 72 -3.136 39.010 1.382 1.00 4.33 O ATOM 1191 CB TRP A 72 -2.191 41.337 -0.257 1.00 70.05 C ATOM 1192 CG TRP A 72 -1.671 42.126 -1.421 1.00 60.40 C ATOM 1193 CD1 TRP A 72 -2.407 42.692 -2.422 1.00 15.00 C ATOM 1194 CD2 TRP A 72 -0.302 42.433 -1.704 1.00 63.05 C ATOM 1195 NE1 TRP A 72 -1.578 43.333 -3.311 1.00 14.03 N ATOM 1196 CE2 TRP A 72 -0.282 43.190 -2.893 1.00 21.44 C ATOM 1197 CE3 TRP A 72 0.909 42.145 -1.070 1.00 23.35 C ATOM 1198 CZ2 TRP A 72 0.902 43.659 -3.456 1.00 74.43 C ATOM 1199 CZ3 TRP A 72 2.083 42.611 -1.631 1.00 20.35 C ATOM 1200 CH2 TRP A 72 2.073 43.361 -2.814 1.00 14.44 C ATOM 0 H TRP A 72 -2.742 39.252 -1.628 1.00 60.22 H new ATOM 0 HA TRP A 72 -0.430 40.121 -0.054 1.00 52.11 H new ATOM 0 HB2 TRP A 72 -3.263 41.186 -0.380 1.00 70.05 H new ATOM 0 HB3 TRP A 72 -2.053 41.916 0.656 1.00 70.05 H new ATOM 0 HD1 TRP A 72 -3.483 42.643 -2.503 1.00 15.00 H new ATOM 0 HE1 TRP A 72 -1.879 43.834 -4.147 1.00 14.03 H new ATOM 0 HE3 TRP A 72 0.928 41.568 -0.157 1.00 23.35 H new ATOM 0 HZ2 TRP A 72 0.896 44.238 -4.368 1.00 74.43 H new ATOM 0 HZ3 TRP A 72 3.025 42.393 -1.149 1.00 20.35 H new ATOM 0 HH2 TRP A 72 3.007 43.711 -3.227 1.00 14.44 H new ATOM 1211 N GLN A 73 -1.012 39.121 2.120 1.00 14.51 N ATOM 1212 CA GLN A 73 -1.312 38.504 3.407 1.00 42.51 C ATOM 1213 C GLN A 73 -2.472 39.216 4.095 1.00 75.43 C ATOM 1214 O GLN A 73 -2.462 40.436 4.250 1.00 64.01 O ATOM 1215 CB GLN A 73 -0.076 38.530 4.308 1.00 12.14 C ATOM 1216 CG GLN A 73 0.074 37.287 5.170 1.00 63.31 C ATOM 1217 CD GLN A 73 -0.761 37.348 6.434 1.00 63.23 C ATOM 1218 OE1 GLN A 73 -1.657 36.529 6.640 1.00 64.42 O ATOM 1219 NE2 GLN A 73 -0.471 38.322 7.289 1.00 62.34 N ATOM 0 H GLN A 73 -0.032 39.374 1.991 1.00 14.51 H new ATOM 0 HA GLN A 73 -1.601 37.469 3.227 1.00 42.51 H new ATOM 0 HB2 GLN A 73 0.813 38.641 3.688 1.00 12.14 H new ATOM 0 HB3 GLN A 73 -0.126 39.406 4.954 1.00 12.14 H new ATOM 0 HG2 GLN A 73 -0.215 36.411 4.590 1.00 63.31 H new ATOM 0 HG3 GLN A 73 1.123 37.160 5.438 1.00 63.31 H new ATOM 0 HE21 GLN A 73 0.280 38.979 7.078 1.00 62.34 H new ATOM 0 HE22 GLN A 73 -0.999 38.413 8.157 1.00 62.34 H new ATOM 1228 N GLY A 74 -3.474 38.443 4.505 1.00 1.22 N ATOM 1229 CA GLY A 74 -4.629 39.017 5.171 1.00 4.12 C ATOM 1230 C GLY A 74 -5.705 39.449 4.196 1.00 51.45 C ATOM 1231 O GLY A 74 -6.805 39.827 4.600 1.00 42.52 O ATOM 0 H GLY A 74 -3.506 37.430 4.388 1.00 1.22 H new ATOM 0 HA2 GLY A 74 -5.044 38.287 5.865 1.00 4.12 H new ATOM 0 HA3 GLY A 74 -4.313 39.876 5.763 1.00 4.12 H new ATOM 1235 N LYS A 75 -5.389 39.396 2.906 1.00 21.41 N ATOM 1236 CA LYS A 75 -6.337 39.785 1.869 1.00 65.14 C ATOM 1237 C LYS A 75 -6.580 38.636 0.895 1.00 33.15 C ATOM 1238 O LYS A 75 -7.708 38.412 0.455 1.00 62.13 O ATOM 1239 CB LYS A 75 -5.819 41.009 1.110 1.00 60.03 C ATOM 1240 CG LYS A 75 -6.631 41.344 -0.130 1.00 3.24 C ATOM 1241 CD LYS A 75 -8.099 41.549 0.204 1.00 61.21 C ATOM 1242 CE LYS A 75 -8.660 42.784 -0.484 1.00 60.34 C ATOM 1243 NZ LYS A 75 -8.994 42.520 -1.911 1.00 74.43 N ATOM 0 H LYS A 75 -4.483 39.087 2.554 1.00 21.41 H new ATOM 0 HA LYS A 75 -7.282 40.036 2.351 1.00 65.14 H new ATOM 0 HB2 LYS A 75 -5.822 41.869 1.779 1.00 60.03 H new ATOM 0 HB3 LYS A 75 -4.783 40.834 0.820 1.00 60.03 H new ATOM 0 HG2 LYS A 75 -6.233 42.246 -0.594 1.00 3.24 H new ATOM 0 HG3 LYS A 75 -6.532 40.540 -0.859 1.00 3.24 H new ATOM 0 HD2 LYS A 75 -8.669 40.671 -0.101 1.00 61.21 H new ATOM 0 HD3 LYS A 75 -8.217 41.647 1.283 1.00 61.21 H new ATOM 0 HE2 LYS A 75 -9.554 43.118 0.042 1.00 60.34 H new ATOM 0 HE3 LYS A 75 -7.933 43.594 -0.425 1.00 60.34 H new ATOM 0 HZ1 LYS A 75 -9.373 43.386 -2.345 1.00 74.43 H new ATOM 0 HZ2 LYS A 75 -8.136 42.225 -2.420 1.00 74.43 H new ATOM 0 HZ3 LYS A 75 -9.706 41.764 -1.967 1.00 74.43 H new ATOM 1257 N ASP A 76 -5.517 37.910 0.566 1.00 54.42 N ATOM 1258 CA ASP A 76 -5.617 36.783 -0.353 1.00 62.52 C ATOM 1259 C ASP A 76 -5.334 35.468 0.367 1.00 5.01 C ATOM 1260 O ASP A 76 -5.111 34.437 -0.267 1.00 60.51 O ATOM 1261 CB ASP A 76 -4.643 36.960 -1.519 1.00 63.20 C ATOM 1262 CG ASP A 76 -5.330 37.450 -2.778 1.00 41.42 C ATOM 1263 OD1 ASP A 76 -6.309 36.806 -3.210 1.00 0.03 O ATOM 1264 OD2 ASP A 76 -4.889 38.479 -3.332 1.00 11.24 O ATOM 0 H ASP A 76 -4.577 38.082 0.922 1.00 54.42 H new ATOM 0 HA ASP A 76 -6.635 36.752 -0.742 1.00 62.52 H new ATOM 0 HB2 ASP A 76 -3.865 37.668 -1.234 1.00 63.20 H new ATOM 0 HB3 ASP A 76 -4.150 36.010 -1.724 1.00 63.20 H new ATOM 1269 N ASP A 77 -5.342 35.513 1.695 1.00 54.23 N ATOM 1270 CA ASP A 77 -5.086 34.326 2.502 1.00 75.11 C ATOM 1271 C ASP A 77 -6.061 33.207 2.147 1.00 12.34 C ATOM 1272 O ASP A 77 -5.759 32.027 2.324 1.00 64.32 O ATOM 1273 CB ASP A 77 -5.195 34.662 3.990 1.00 35.41 C ATOM 1274 CG ASP A 77 -6.587 35.118 4.380 1.00 15.22 C ATOM 1275 OD1 ASP A 77 -7.061 36.128 3.817 1.00 24.23 O ATOM 1276 OD2 ASP A 77 -7.204 34.465 5.248 1.00 52.43 O ATOM 0 H ASP A 77 -5.523 36.359 2.235 1.00 54.23 H new ATOM 0 HA ASP A 77 -4.074 33.983 2.288 1.00 75.11 H new ATOM 0 HB2 ASP A 77 -4.925 33.785 4.578 1.00 35.41 H new ATOM 0 HB3 ASP A 77 -4.477 35.444 4.236 1.00 35.41 H new ATOM 1281 N HIS A 78 -7.233 33.587 1.647 1.00 31.44 N ATOM 1282 CA HIS A 78 -8.253 32.615 1.268 1.00 11.35 C ATOM 1283 C HIS A 78 -7.819 31.824 0.039 1.00 71.35 C ATOM 1284 O HIS A 78 -8.327 30.733 -0.222 1.00 33.15 O ATOM 1285 CB HIS A 78 -9.582 33.320 0.993 1.00 5.40 C ATOM 1286 CG HIS A 78 -9.584 34.119 -0.274 1.00 74.32 C ATOM 1287 ND1 HIS A 78 -9.157 35.428 -0.340 1.00 14.24 N ATOM 1288 CD2 HIS A 78 -9.964 33.785 -1.530 1.00 11.22 C ATOM 1289 CE1 HIS A 78 -9.276 35.866 -1.580 1.00 50.23 C ATOM 1290 NE2 HIS A 78 -9.763 34.888 -2.323 1.00 1.23 N ATOM 0 H HIS A 78 -7.500 34.560 1.495 1.00 31.44 H new ATOM 0 HA HIS A 78 -8.384 31.920 2.097 1.00 11.35 H new ATOM 0 HB2 HIS A 78 -10.376 32.575 0.944 1.00 5.40 H new ATOM 0 HB3 HIS A 78 -9.814 33.979 1.829 1.00 5.40 H new ATOM 0 HD2 HIS A 78 -10.353 32.829 -1.849 1.00 11.22 H new ATOM 0 HE1 HIS A 78 -9.019 36.856 -1.928 1.00 50.23 H new ATOM 0 HE2 HIS A 78 -9.958 34.943 -3.323 1.00 1.23 H new ATOM 1298 N VAL A 79 -6.877 32.381 -0.716 1.00 21.32 N ATOM 1299 CA VAL A 79 -6.374 31.727 -1.918 1.00 74.22 C ATOM 1300 C VAL A 79 -5.858 30.326 -1.607 1.00 52.43 C ATOM 1301 O VAL A 79 -4.877 30.161 -0.883 1.00 4.41 O ATOM 1302 CB VAL A 79 -5.245 32.545 -2.572 1.00 2.04 C ATOM 1303 CG1 VAL A 79 -4.645 31.785 -3.745 1.00 3.23 C ATOM 1304 CG2 VAL A 79 -5.761 33.906 -3.015 1.00 70.41 C ATOM 0 H VAL A 79 -6.447 33.284 -0.516 1.00 21.32 H new ATOM 0 HA VAL A 79 -7.211 31.657 -2.613 1.00 74.22 H new ATOM 0 HB VAL A 79 -4.459 32.703 -1.833 1.00 2.04 H new ATOM 0 HG11 VAL A 79 -3.849 32.379 -4.194 1.00 3.23 H new ATOM 0 HG12 VAL A 79 -4.237 30.837 -3.394 1.00 3.23 H new ATOM 0 HG13 VAL A 79 -5.419 31.594 -4.489 1.00 3.23 H new ATOM 0 HG21 VAL A 79 -4.950 34.471 -3.475 1.00 70.41 H new ATOM 0 HG22 VAL A 79 -6.566 33.772 -3.738 1.00 70.41 H new ATOM 0 HG23 VAL A 79 -6.138 34.452 -2.150 1.00 70.41 H new ATOM 1314 N VAL A 80 -6.526 29.319 -2.160 1.00 52.05 N ATOM 1315 CA VAL A 80 -6.134 27.931 -1.944 1.00 13.50 C ATOM 1316 C VAL A 80 -5.175 27.456 -3.029 1.00 24.22 C ATOM 1317 O VAL A 80 -5.532 27.396 -4.206 1.00 15.15 O ATOM 1318 CB VAL A 80 -7.361 27.000 -1.914 1.00 43.04 C ATOM 1319 CG1 VAL A 80 -6.924 25.544 -1.854 1.00 53.15 C ATOM 1320 CG2 VAL A 80 -8.262 27.344 -0.738 1.00 70.12 C ATOM 0 H VAL A 80 -7.341 29.438 -2.761 1.00 52.05 H new ATOM 0 HA VAL A 80 -5.632 27.890 -0.977 1.00 13.50 H new ATOM 0 HB VAL A 80 -7.930 27.146 -2.832 1.00 43.04 H new ATOM 0 HG11 VAL A 80 -7.804 24.901 -1.833 1.00 53.15 H new ATOM 0 HG12 VAL A 80 -6.322 25.308 -2.732 1.00 53.15 H new ATOM 0 HG13 VAL A 80 -6.332 25.379 -0.954 1.00 53.15 H new ATOM 0 HG21 VAL A 80 -9.124 26.676 -0.732 1.00 70.12 H new ATOM 0 HG22 VAL A 80 -7.706 27.227 0.192 1.00 70.12 H new ATOM 0 HG23 VAL A 80 -8.603 28.375 -0.830 1.00 70.12 H new ATOM 1330 N ILE A 81 -3.955 27.118 -2.625 1.00 63.20 N ATOM 1331 CA ILE A 81 -2.944 26.646 -3.563 1.00 23.42 C ATOM 1332 C ILE A 81 -2.887 25.122 -3.589 1.00 73.11 C ATOM 1333 O ILE A 81 -2.433 24.489 -2.635 1.00 53.11 O ATOM 1334 CB ILE A 81 -1.548 27.194 -3.210 1.00 34.35 C ATOM 1335 CG1 ILE A 81 -1.562 28.724 -3.212 1.00 62.33 C ATOM 1336 CG2 ILE A 81 -0.509 26.666 -4.187 1.00 60.11 C ATOM 1337 CD1 ILE A 81 -1.636 29.330 -1.828 1.00 70.24 C ATOM 0 H ILE A 81 -3.643 27.162 -1.655 1.00 63.20 H new ATOM 0 HA ILE A 81 -3.232 27.014 -4.548 1.00 23.42 H new ATOM 0 HB ILE A 81 -1.282 26.853 -2.209 1.00 34.35 H new ATOM 0 HG12 ILE A 81 -0.663 29.087 -3.711 1.00 62.33 H new ATOM 0 HG13 ILE A 81 -2.414 29.071 -3.797 1.00 62.33 H new ATOM 0 HG21 ILE A 81 0.472 27.062 -3.924 1.00 60.11 H new ATOM 0 HG22 ILE A 81 -0.485 25.577 -4.140 1.00 60.11 H new ATOM 0 HG23 ILE A 81 -0.768 26.980 -5.198 1.00 60.11 H new ATOM 0 HD11 ILE A 81 -1.642 30.417 -1.907 1.00 70.24 H new ATOM 0 HD12 ILE A 81 -2.548 28.997 -1.333 1.00 70.24 H new ATOM 0 HD13 ILE A 81 -0.771 29.013 -1.245 1.00 70.24 H new ATOM 1349 N THR A 82 -3.350 24.537 -4.690 1.00 32.14 N ATOM 1350 CA THR A 82 -3.352 23.087 -4.842 1.00 12.44 C ATOM 1351 C THR A 82 -2.206 22.627 -5.735 1.00 21.35 C ATOM 1352 O THR A 82 -2.199 22.888 -6.938 1.00 51.22 O ATOM 1353 CB THR A 82 -4.683 22.587 -5.434 1.00 62.52 C ATOM 1354 OG1 THR A 82 -4.566 21.208 -5.805 1.00 41.42 O ATOM 1355 CG2 THR A 82 -5.079 23.412 -6.649 1.00 10.11 C ATOM 0 H THR A 82 -3.728 25.045 -5.489 1.00 32.14 H new ATOM 0 HA THR A 82 -3.225 22.664 -3.846 1.00 12.44 H new ATOM 0 HB THR A 82 -5.457 22.695 -4.674 1.00 62.52 H new ATOM 0 HG1 THR A 82 -5.417 20.897 -6.179 1.00 41.42 H new ATOM 0 HG21 THR A 82 -6.022 23.040 -7.050 1.00 10.11 H new ATOM 0 HG22 THR A 82 -5.195 24.456 -6.358 1.00 10.11 H new ATOM 0 HG23 THR A 82 -4.304 23.332 -7.411 1.00 10.11 H new ATOM 1363 N LEU A 83 -1.238 21.939 -5.139 1.00 2.22 N ATOM 1364 CA LEU A 83 -0.085 21.441 -5.881 1.00 72.52 C ATOM 1365 C LEU A 83 -0.527 20.697 -7.137 1.00 70.44 C ATOM 1366 O LEU A 83 -1.011 19.566 -7.065 1.00 13.33 O ATOM 1367 CB LEU A 83 0.755 20.518 -4.997 1.00 62.51 C ATOM 1368 CG LEU A 83 2.268 20.582 -5.207 1.00 5.32 C ATOM 1369 CD1 LEU A 83 2.800 21.959 -4.838 1.00 21.53 C ATOM 1370 CD2 LEU A 83 2.966 19.503 -4.392 1.00 65.12 C ATOM 0 H LEU A 83 -1.229 21.713 -4.144 1.00 2.22 H new ATOM 0 HA LEU A 83 0.520 22.296 -6.181 1.00 72.52 H new ATOM 0 HB2 LEU A 83 0.543 20.754 -3.954 1.00 62.51 H new ATOM 0 HB3 LEU A 83 0.428 19.492 -5.164 1.00 62.51 H new ATOM 0 HG LEU A 83 2.477 20.404 -6.262 1.00 5.32 H new ATOM 0 HD11 LEU A 83 3.878 21.986 -4.994 1.00 21.53 H new ATOM 0 HD12 LEU A 83 2.324 22.713 -5.465 1.00 21.53 H new ATOM 0 HD13 LEU A 83 2.579 22.166 -3.791 1.00 21.53 H new ATOM 0 HD21 LEU A 83 4.042 19.564 -4.554 1.00 65.12 H new ATOM 0 HD22 LEU A 83 2.749 19.649 -3.334 1.00 65.12 H new ATOM 0 HD23 LEU A 83 2.607 18.522 -4.704 1.00 65.12 H new ATOM 1382 N LEU A 84 -0.355 21.337 -8.289 1.00 32.42 N ATOM 1383 CA LEU A 84 -0.734 20.735 -9.563 1.00 20.24 C ATOM 1384 C LEU A 84 0.459 20.043 -10.214 1.00 42.23 C ATOM 1385 O LEU A 84 1.148 20.629 -11.049 1.00 74.11 O ATOM 1386 CB LEU A 84 -1.298 21.800 -10.505 1.00 23.13 C ATOM 1387 CG LEU A 84 -2.622 22.437 -10.082 1.00 20.11 C ATOM 1388 CD1 LEU A 84 -3.151 23.346 -11.180 1.00 13.52 C ATOM 1389 CD2 LEU A 84 -3.644 21.363 -9.737 1.00 50.52 C ATOM 0 H LEU A 84 0.044 22.272 -8.367 1.00 32.42 H new ATOM 0 HA LEU A 84 -1.503 19.987 -9.369 1.00 20.24 H new ATOM 0 HB2 LEU A 84 -0.556 22.591 -10.613 1.00 23.13 H new ATOM 0 HB3 LEU A 84 -1.432 21.352 -11.489 1.00 23.13 H new ATOM 0 HG LEU A 84 -2.445 23.041 -9.192 1.00 20.11 H new ATOM 0 HD11 LEU A 84 -4.094 23.791 -10.861 1.00 13.52 H new ATOM 0 HD12 LEU A 84 -2.426 24.136 -11.379 1.00 13.52 H new ATOM 0 HD13 LEU A 84 -3.313 22.764 -12.088 1.00 13.52 H new ATOM 0 HD21 LEU A 84 -4.580 21.834 -9.438 1.00 50.52 H new ATOM 0 HD22 LEU A 84 -3.817 20.732 -10.609 1.00 50.52 H new ATOM 0 HD23 LEU A 84 -3.267 20.752 -8.917 1.00 50.52 H new ATOM 1401 N GLU A 85 0.696 18.793 -9.828 1.00 52.40 N ATOM 1402 CA GLU A 85 1.805 18.022 -10.376 1.00 42.15 C ATOM 1403 C GLU A 85 1.302 16.751 -11.054 1.00 54.02 C ATOM 1404 O GLU A 85 0.102 16.476 -11.066 1.00 43.25 O ATOM 1405 CB GLU A 85 2.802 17.664 -9.272 1.00 34.21 C ATOM 1406 CG GLU A 85 3.899 18.698 -9.084 1.00 22.45 C ATOM 1407 CD GLU A 85 5.288 18.094 -9.159 1.00 2.03 C ATOM 1408 OE1 GLU A 85 5.614 17.485 -10.199 1.00 43.45 O ATOM 1409 OE2 GLU A 85 6.049 18.230 -8.178 1.00 34.33 O ATOM 0 H GLU A 85 0.135 18.293 -9.138 1.00 52.40 H new ATOM 0 HA GLU A 85 2.307 18.637 -11.123 1.00 42.15 H new ATOM 0 HB2 GLU A 85 2.263 17.544 -8.332 1.00 34.21 H new ATOM 0 HB3 GLU A 85 3.258 16.701 -9.504 1.00 34.21 H new ATOM 0 HG2 GLU A 85 3.801 19.470 -9.847 1.00 22.45 H new ATOM 0 HG3 GLU A 85 3.771 19.187 -8.118 1.00 22.45 H new TER 1416 GLU A 85