USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 NoAdj-H: A 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -12.1! C(o=-25!,f=-30!) USER MOD Set 1.2: A 105 HEM CMC :methyl 150:sc= -12.6! (180deg=-9.47!) USER MOD Set 2.1: A 75 SER OG : rot -38:sc= -1.52 USER MOD Set 2.2: A 105 HEM CMB :methyl 150:sc= -3.78! (180deg=-2.94!) USER MOD Set 3.1: A 25 THR OG1 : rot -81:sc= 2.14 USER MOD Set 3.2: A 37 THR OG1 : rot 22:sc= -0.698 USER MOD Set 4.1: A 11 TYR OH : rot 150:sc= 0 USER MOD Set 4.2: A 19 HIS : no HD1:sc= -4.04! X(o=-4!,f=-4.2) USER MOD Set 5.1: A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 10 TYR OH : rot 165:sc= -0.592 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 54:sc= 1.1 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A 17 GLN : amide:sc= -0.325 K(o=-0.32,f=-2.3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -4.46! C(o=-5.8!,f=-4.5!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 37:sc= 0.102 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 17:sc= 0.848 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 25:sc= 0.49 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.00686 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -92:sc= 0.958 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -10.8! C(o=-13!,f=-11!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot -170:sc= 0.476 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -2.96 (180deg=-2.96) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.208) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 32.963 1.890 -31.271 1.00 0.00 N ATOM 2 CA ALA A 1 33.412 0.575 -30.847 1.00 0.00 C ATOM 3 C ALA A 1 32.234 -0.401 -30.888 1.00 0.00 C ATOM 4 O ALA A 1 32.289 -1.418 -31.576 1.00 0.00 O ATOM 5 CB ALA A 1 34.038 0.673 -29.455 1.00 0.00 C ATOM 0 H1 ALA A 1 33.762 2.555 -31.244 1.00 0.00 H new ATOM 0 H2 ALA A 1 32.592 1.834 -32.241 1.00 0.00 H new ATOM 0 H3 ALA A 1 32.213 2.224 -30.632 1.00 0.00 H new ATOM 0 HA ALA A 1 34.178 0.196 -31.524 1.00 0.00 H new ATOM 0 HB1 ALA A 1 34.375 -0.314 -29.137 1.00 0.00 H new ATOM 0 HB2 ALA A 1 34.888 1.354 -29.486 1.00 0.00 H new ATOM 0 HB3 ALA A 1 33.298 1.049 -28.749 1.00 0.00 H new ATOM 11 N GLU A 2 31.195 -0.055 -30.141 1.00 0.00 N ATOM 12 CA GLU A 2 30.006 -0.888 -30.082 1.00 0.00 C ATOM 13 C GLU A 2 29.028 -0.345 -29.038 1.00 0.00 C ATOM 14 O GLU A 2 29.426 0.387 -28.131 1.00 0.00 O ATOM 15 CB GLU A 2 30.368 -2.344 -29.788 1.00 0.00 C ATOM 16 CG GLU A 2 29.726 -3.286 -30.807 1.00 0.00 C ATOM 17 CD GLU A 2 30.494 -4.606 -30.897 1.00 0.00 C ATOM 18 OE1 GLU A 2 30.753 -5.186 -29.821 1.00 0.00 O ATOM 19 OE2 GLU A 2 30.807 -5.005 -32.040 1.00 0.00 O ATOM 0 H GLU A 2 31.152 0.790 -29.572 1.00 0.00 H new ATOM 0 HA GLU A 2 29.520 -0.860 -31.057 1.00 0.00 H new ATOM 0 HB2 GLU A 2 31.451 -2.464 -29.809 1.00 0.00 H new ATOM 0 HB3 GLU A 2 30.037 -2.609 -28.784 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.692 -3.482 -30.524 1.00 0.00 H new ATOM 0 HG3 GLU A 2 29.704 -2.807 -31.786 1.00 0.00 H new ATOM 26 N GLU A 3 27.769 -0.723 -29.199 1.00 0.00 N ATOM 27 CA GLU A 3 26.733 -0.283 -28.281 1.00 0.00 C ATOM 28 C GLU A 3 25.351 -0.658 -28.822 1.00 0.00 C ATOM 29 O GLU A 3 25.089 -0.520 -30.016 1.00 0.00 O ATOM 30 CB GLU A 3 26.831 1.222 -28.023 1.00 0.00 C ATOM 31 CG GLU A 3 27.035 1.511 -26.536 1.00 0.00 C ATOM 32 CD GLU A 3 26.435 2.866 -26.152 1.00 0.00 C ATOM 33 OE1 GLU A 3 25.420 3.234 -26.781 1.00 0.00 O ATOM 34 OE2 GLU A 3 27.007 3.502 -25.239 1.00 0.00 O ATOM 0 H GLU A 3 27.443 -1.329 -29.952 1.00 0.00 H new ATOM 0 HA GLU A 3 26.879 -0.791 -27.328 1.00 0.00 H new ATOM 0 HB2 GLU A 3 27.660 1.639 -28.595 1.00 0.00 H new ATOM 0 HB3 GLU A 3 25.923 1.714 -28.372 1.00 0.00 H new ATOM 0 HG2 GLU A 3 26.572 0.723 -25.942 1.00 0.00 H new ATOM 0 HG3 GLU A 3 28.100 1.502 -26.303 1.00 0.00 H new ATOM 41 N SER A 4 24.503 -1.124 -27.916 1.00 0.00 N ATOM 42 CA SER A 4 23.155 -1.518 -28.287 1.00 0.00 C ATOM 43 C SER A 4 22.388 -1.990 -27.050 1.00 0.00 C ATOM 44 O SER A 4 22.940 -2.695 -26.205 1.00 0.00 O ATOM 45 CB SER A 4 23.177 -2.620 -29.349 1.00 0.00 C ATOM 46 OG SER A 4 21.895 -2.817 -29.940 1.00 0.00 O ATOM 0 H SER A 4 24.724 -1.237 -26.927 1.00 0.00 H new ATOM 0 HA SER A 4 22.650 -0.650 -28.711 1.00 0.00 H new ATOM 0 HB2 SER A 4 23.898 -2.362 -30.125 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.515 -3.552 -28.897 1.00 0.00 H new ATOM 0 HG SER A 4 21.951 -3.527 -30.613 1.00 0.00 H new ATOM 52 N SER A 5 21.130 -1.583 -26.983 1.00 0.00 N ATOM 53 CA SER A 5 20.282 -1.953 -25.862 1.00 0.00 C ATOM 54 C SER A 5 19.116 -0.972 -25.740 1.00 0.00 C ATOM 55 O SER A 5 19.319 0.241 -25.746 1.00 0.00 O ATOM 56 CB SER A 5 21.080 -1.995 -24.557 1.00 0.00 C ATOM 57 OG SER A 5 21.583 -3.300 -24.282 1.00 0.00 O ATOM 0 H SER A 5 20.676 -1.000 -27.687 1.00 0.00 H new ATOM 0 HA SER A 5 19.888 -2.952 -26.048 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.910 -1.291 -24.617 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.445 -1.670 -23.733 1.00 0.00 H new ATOM 0 HG SER A 5 22.098 -3.621 -25.051 1.00 0.00 H new ATOM 63 N LYS A 6 17.920 -1.532 -25.631 1.00 0.00 N ATOM 64 CA LYS A 6 16.721 -0.720 -25.509 1.00 0.00 C ATOM 65 C LYS A 6 15.488 -1.624 -25.580 1.00 0.00 C ATOM 66 O LYS A 6 15.613 -2.837 -25.745 1.00 0.00 O ATOM 67 CB LYS A 6 16.724 0.401 -26.551 1.00 0.00 C ATOM 68 CG LYS A 6 16.619 1.772 -25.880 1.00 0.00 C ATOM 69 CD LYS A 6 16.118 2.828 -26.868 1.00 0.00 C ATOM 70 CE LYS A 6 15.538 4.036 -26.129 1.00 0.00 C ATOM 71 NZ LYS A 6 16.314 5.257 -26.444 1.00 0.00 N ATOM 0 H LYS A 6 17.756 -2.539 -25.625 1.00 0.00 H new ATOM 0 HA LYS A 6 16.695 -0.222 -24.540 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.638 0.350 -27.142 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.891 0.264 -27.240 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.940 1.714 -25.029 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.594 2.066 -25.491 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.938 3.149 -27.510 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.357 2.393 -27.516 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.495 4.177 -26.413 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.554 3.855 -25.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.908 6.068 -25.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.303 5.125 -26.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.277 5.437 -27.468 1.00 0.00 H new ATOM 85 N ALA A 7 14.327 -0.999 -25.456 1.00 0.00 N ATOM 86 CA ALA A 7 13.074 -1.731 -25.505 1.00 0.00 C ATOM 87 C ALA A 7 12.999 -2.686 -24.312 1.00 0.00 C ATOM 88 O ALA A 7 13.386 -3.848 -24.417 1.00 0.00 O ATOM 89 CB ALA A 7 12.961 -2.463 -26.844 1.00 0.00 C ATOM 0 H ALA A 7 14.228 0.007 -25.322 1.00 0.00 H new ATOM 0 HA ALA A 7 12.228 -1.047 -25.435 1.00 0.00 H new ATOM 0 HB1 ALA A 7 12.020 -3.012 -26.880 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.990 -1.739 -27.658 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.792 -3.160 -26.949 1.00 0.00 H new ATOM 95 N VAL A 8 12.498 -2.159 -23.204 1.00 0.00 N ATOM 96 CA VAL A 8 12.368 -2.950 -21.991 1.00 0.00 C ATOM 97 C VAL A 8 11.908 -4.362 -22.357 1.00 0.00 C ATOM 98 O VAL A 8 12.645 -5.329 -22.164 1.00 0.00 O ATOM 99 CB VAL A 8 11.427 -2.251 -21.008 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.463 -1.318 -21.743 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.666 -3.269 -20.158 1.00 0.00 C ATOM 0 H VAL A 8 12.177 -1.194 -23.121 1.00 0.00 H new ATOM 0 HA VAL A 8 13.331 -3.041 -21.489 1.00 0.00 H new ATOM 0 HB VAL A 8 12.034 -1.644 -20.337 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.805 -0.833 -21.022 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.031 -0.560 -22.283 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.866 -1.895 -22.449 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.005 -2.745 -19.468 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.075 -3.916 -20.807 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.375 -3.873 -19.592 1.00 0.00 H new ATOM 111 N LYS A 9 10.691 -4.438 -22.876 1.00 0.00 N ATOM 112 CA LYS A 9 10.124 -5.716 -23.270 1.00 0.00 C ATOM 113 C LYS A 9 9.653 -6.467 -22.023 1.00 0.00 C ATOM 114 O LYS A 9 8.488 -6.846 -21.924 1.00 0.00 O ATOM 115 CB LYS A 9 11.120 -6.505 -24.123 1.00 0.00 C ATOM 116 CG LYS A 9 10.576 -6.728 -25.536 1.00 0.00 C ATOM 117 CD LYS A 9 11.504 -7.639 -26.343 1.00 0.00 C ATOM 118 CE LYS A 9 12.183 -6.864 -27.474 1.00 0.00 C ATOM 119 NZ LYS A 9 13.629 -7.180 -27.521 1.00 0.00 N ATOM 0 H LYS A 9 10.082 -3.635 -23.033 1.00 0.00 H new ATOM 0 HA LYS A 9 9.249 -5.565 -23.901 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.066 -5.967 -24.175 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.325 -7.467 -23.653 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.582 -7.172 -25.481 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.469 -5.770 -26.044 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.260 -8.068 -25.686 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.934 -8.470 -26.758 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.718 -7.117 -28.427 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.043 -5.793 -27.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.076 -6.646 -28.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.071 -6.917 -26.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.756 -8.199 -27.685 1.00 0.00 H new ATOM 133 N TYR A 10 10.585 -6.659 -21.099 1.00 0.00 N ATOM 134 CA TYR A 10 10.280 -7.357 -19.862 1.00 0.00 C ATOM 135 C TYR A 10 10.898 -6.637 -18.661 1.00 0.00 C ATOM 136 O TYR A 10 12.119 -6.519 -18.563 1.00 0.00 O ATOM 137 CB TYR A 10 10.915 -8.743 -19.993 1.00 0.00 C ATOM 138 CG TYR A 10 11.675 -8.959 -21.304 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.975 -8.516 -21.428 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.058 -9.596 -22.362 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.691 -8.718 -22.661 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.773 -9.798 -23.595 1.00 0.00 C ATOM 143 CZ TYR A 10 13.055 -9.349 -23.684 1.00 0.00 C ATOM 144 OH TYR A 10 13.730 -9.541 -24.849 1.00 0.00 O ATOM 0 H TYR A 10 11.551 -6.343 -21.183 1.00 0.00 H new ATOM 0 HA TYR A 10 9.203 -7.404 -19.702 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.599 -8.898 -19.159 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.134 -9.499 -19.909 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.456 -8.017 -20.600 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.040 -9.943 -22.265 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.710 -8.376 -22.771 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.303 -10.295 -24.431 1.00 0.00 H new ATOM 0 HH TYR A 10 13.256 -10.201 -25.397 1.00 0.00 H new ATOM 154 N TYR A 11 10.027 -6.176 -17.777 1.00 0.00 N ATOM 155 CA TYR A 11 10.471 -5.472 -16.586 1.00 0.00 C ATOM 156 C TYR A 11 9.881 -6.103 -15.323 1.00 0.00 C ATOM 157 O TYR A 11 8.979 -6.934 -15.405 1.00 0.00 O ATOM 158 CB TYR A 11 9.944 -4.042 -16.719 1.00 0.00 C ATOM 159 CG TYR A 11 11.038 -2.993 -16.932 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.183 -3.321 -17.629 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.879 -1.718 -16.426 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.212 -2.334 -17.829 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.908 -0.732 -16.627 1.00 0.00 C ATOM 164 CZ TYR A 11 13.023 -1.088 -17.317 1.00 0.00 C ATOM 165 OH TYR A 11 13.996 -0.155 -17.506 1.00 0.00 O ATOM 0 H TYR A 11 9.015 -6.276 -17.861 1.00 0.00 H new ATOM 0 HA TYR A 11 11.557 -5.512 -16.501 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.246 -3.999 -17.555 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.381 -3.788 -15.821 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.307 -4.318 -18.025 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.983 -1.461 -15.880 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.113 -2.577 -18.373 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.796 0.269 -16.238 1.00 0.00 H new ATOM 0 HH TYR A 11 13.591 0.737 -17.544 1.00 0.00 H new ATOM 175 N THR A 12 10.416 -5.686 -14.186 1.00 0.00 N ATOM 176 CA THR A 12 9.954 -6.200 -12.907 1.00 0.00 C ATOM 177 C THR A 12 9.102 -5.153 -12.188 1.00 0.00 C ATOM 178 O THR A 12 9.303 -3.953 -12.370 1.00 0.00 O ATOM 179 CB THR A 12 11.180 -6.643 -12.105 1.00 0.00 C ATOM 180 OG1 THR A 12 11.864 -5.428 -11.816 1.00 0.00 O ATOM 181 CG2 THR A 12 12.175 -7.439 -12.950 1.00 0.00 C ATOM 0 H THR A 12 11.166 -4.997 -14.123 1.00 0.00 H new ATOM 0 HA THR A 12 9.305 -7.065 -13.039 1.00 0.00 H new ATOM 0 HB THR A 12 10.859 -7.247 -11.256 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.672 -5.623 -11.296 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.026 -7.729 -12.333 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.688 -8.333 -13.340 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.522 -6.823 -13.780 1.00 0.00 H new ATOM 189 N LEU A 13 8.170 -5.645 -11.384 1.00 0.00 N ATOM 190 CA LEU A 13 7.287 -4.767 -10.636 1.00 0.00 C ATOM 191 C LEU A 13 8.101 -3.610 -10.050 1.00 0.00 C ATOM 192 O LEU A 13 7.630 -2.476 -10.005 1.00 0.00 O ATOM 193 CB LEU A 13 6.505 -5.560 -9.588 1.00 0.00 C ATOM 194 CG LEU A 13 5.100 -6.005 -9.994 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.329 -6.555 -8.793 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.344 -4.871 -10.691 1.00 0.00 C ATOM 0 H LEU A 13 8.008 -6.641 -11.235 1.00 0.00 H new ATOM 0 HA LEU A 13 6.538 -4.329 -11.296 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.083 -6.446 -9.326 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.426 -4.953 -8.686 1.00 0.00 H new ATOM 0 HG LEU A 13 5.195 -6.818 -10.714 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.333 -6.864 -9.110 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.861 -7.413 -8.381 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.243 -5.781 -8.030 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.348 -5.215 -10.969 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.259 -4.021 -10.014 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.887 -4.569 -11.587 1.00 0.00 H new ATOM 208 N GLU A 14 9.310 -3.939 -9.620 1.00 0.00 N ATOM 209 CA GLU A 14 10.194 -2.941 -9.040 1.00 0.00 C ATOM 210 C GLU A 14 10.604 -1.915 -10.099 1.00 0.00 C ATOM 211 O GLU A 14 10.462 -0.712 -9.889 1.00 0.00 O ATOM 212 CB GLU A 14 11.423 -3.599 -8.409 1.00 0.00 C ATOM 213 CG GLU A 14 11.447 -3.377 -6.895 1.00 0.00 C ATOM 214 CD GLU A 14 10.386 -4.229 -6.200 1.00 0.00 C ATOM 215 OE1 GLU A 14 10.707 -5.398 -5.893 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.276 -3.694 -5.990 1.00 0.00 O ATOM 0 H GLU A 14 9.698 -4.881 -9.661 1.00 0.00 H new ATOM 0 HA GLU A 14 9.654 -2.421 -8.249 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.418 -4.668 -8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.329 -3.188 -8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.433 -3.626 -6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.274 -2.323 -6.675 1.00 0.00 H new ATOM 223 N GLU A 15 11.103 -2.428 -11.213 1.00 0.00 N ATOM 224 CA GLU A 15 11.533 -1.572 -12.304 1.00 0.00 C ATOM 225 C GLU A 15 10.431 -0.573 -12.661 1.00 0.00 C ATOM 226 O GLU A 15 10.715 0.577 -12.993 1.00 0.00 O ATOM 227 CB GLU A 15 11.937 -2.401 -13.525 1.00 0.00 C ATOM 228 CG GLU A 15 13.129 -3.305 -13.203 1.00 0.00 C ATOM 229 CD GLU A 15 14.453 -2.570 -13.432 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.690 -1.587 -12.699 1.00 0.00 O ATOM 231 OE2 GLU A 15 15.196 -3.009 -14.337 1.00 0.00 O ATOM 0 H GLU A 15 11.219 -3.427 -11.384 1.00 0.00 H new ATOM 0 HA GLU A 15 12.411 -1.014 -11.978 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.093 -3.008 -13.852 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.192 -1.738 -14.352 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.068 -3.638 -12.167 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.092 -4.198 -13.827 1.00 0.00 H new ATOM 238 N ILE A 16 9.197 -1.047 -12.582 1.00 0.00 N ATOM 239 CA ILE A 16 8.051 -0.210 -12.892 1.00 0.00 C ATOM 240 C ILE A 16 7.763 0.712 -11.706 1.00 0.00 C ATOM 241 O ILE A 16 7.334 1.851 -11.890 1.00 0.00 O ATOM 242 CB ILE A 16 6.856 -1.070 -13.307 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.293 -2.206 -14.233 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.754 -0.211 -13.934 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.678 -3.538 -13.795 1.00 0.00 C ATOM 0 H ILE A 16 8.965 -2.002 -12.307 1.00 0.00 H new ATOM 0 HA ILE A 16 8.266 0.429 -13.748 1.00 0.00 H new ATOM 0 HB ILE A 16 6.437 -1.528 -12.411 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.993 -1.982 -15.256 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.380 -2.285 -14.230 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.916 -0.846 -14.220 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.416 0.532 -13.211 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.145 0.294 -14.817 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.005 -4.329 -14.470 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.000 -3.771 -12.780 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.591 -3.463 -13.823 1.00 0.00 H new ATOM 257 N GLN A 17 8.008 0.185 -10.515 1.00 0.00 N ATOM 258 CA GLN A 17 7.780 0.948 -9.299 1.00 0.00 C ATOM 259 C GLN A 17 8.643 2.212 -9.295 1.00 0.00 C ATOM 260 O GLN A 17 8.214 3.259 -8.814 1.00 0.00 O ATOM 261 CB GLN A 17 8.052 0.095 -8.058 1.00 0.00 C ATOM 262 CG GLN A 17 7.103 0.469 -6.918 1.00 0.00 C ATOM 263 CD GLN A 17 7.872 1.069 -5.740 1.00 0.00 C ATOM 264 OE1 GLN A 17 9.034 1.427 -5.840 1.00 0.00 O ATOM 265 NE2 GLN A 17 7.161 1.159 -4.620 1.00 0.00 N ATOM 0 H GLN A 17 8.362 -0.760 -10.366 1.00 0.00 H new ATOM 0 HA GLN A 17 6.732 1.247 -9.272 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.933 -0.960 -8.304 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.084 0.233 -7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.363 1.184 -7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.558 -0.416 -6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.192 0.841 -4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.585 1.546 -3.777 1.00 0.00 H new ATOM 274 N LYS A 18 9.846 2.071 -9.834 1.00 0.00 N ATOM 275 CA LYS A 18 10.773 3.187 -9.898 1.00 0.00 C ATOM 276 C LYS A 18 10.254 4.218 -10.903 1.00 0.00 C ATOM 277 O LYS A 18 10.506 5.414 -10.759 1.00 0.00 O ATOM 278 CB LYS A 18 12.188 2.693 -10.201 1.00 0.00 C ATOM 279 CG LYS A 18 12.595 1.573 -9.240 1.00 0.00 C ATOM 280 CD LYS A 18 12.971 2.138 -7.869 1.00 0.00 C ATOM 281 CE LYS A 18 14.180 3.070 -7.973 1.00 0.00 C ATOM 282 NZ LYS A 18 14.930 3.093 -6.697 1.00 0.00 N ATOM 0 H LYS A 18 10.199 1.200 -10.230 1.00 0.00 H new ATOM 0 HA LYS A 18 10.835 3.686 -8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.239 2.332 -11.228 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.892 3.521 -10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.774 0.864 -9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.439 1.022 -9.654 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.124 2.681 -7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.195 1.320 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.834 2.738 -8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.849 4.077 -8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.747 3.730 -6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.308 3.431 -5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.262 2.134 -6.472 1.00 0.00 H new ATOM 296 N HIS A 19 9.537 3.718 -11.899 1.00 0.00 N ATOM 297 CA HIS A 19 8.981 4.579 -12.928 1.00 0.00 C ATOM 298 C HIS A 19 7.689 5.220 -12.417 1.00 0.00 C ATOM 299 O HIS A 19 6.603 4.677 -12.615 1.00 0.00 O ATOM 300 CB HIS A 19 8.784 3.809 -14.235 1.00 0.00 C ATOM 301 CG HIS A 19 10.065 3.545 -14.991 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.917 4.557 -15.398 1.00 0.00 N ATOM 303 CD2 HIS A 19 10.628 2.376 -15.410 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.943 4.009 -16.031 1.00 0.00 C ATOM 305 NE2 HIS A 19 11.763 2.658 -16.038 1.00 0.00 N ATOM 0 H HIS A 19 9.328 2.726 -12.015 1.00 0.00 H new ATOM 0 HA HIS A 19 9.682 5.383 -13.151 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.301 2.857 -14.015 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.104 4.370 -14.877 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.220 1.388 -15.257 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.777 4.540 -16.466 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.396 1.976 -16.457 1.00 0.00 H new ATOM 314 N ASN A 20 7.850 6.365 -11.771 1.00 0.00 N ATOM 315 CA ASN A 20 6.709 7.085 -11.230 1.00 0.00 C ATOM 316 C ASN A 20 6.798 8.556 -11.644 1.00 0.00 C ATOM 317 O ASN A 20 6.158 9.414 -11.037 1.00 0.00 O ATOM 318 CB ASN A 20 6.694 7.024 -9.702 1.00 0.00 C ATOM 319 CG ASN A 20 5.341 6.529 -9.186 1.00 0.00 C ATOM 320 OD1 ASN A 20 5.335 5.249 -8.825 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 4.366 7.259 -9.122 1.00 0.00 N flip ATOM 0 H ASN A 20 8.752 6.812 -11.610 1.00 0.00 H new ATOM 0 HA ASN A 20 5.802 6.622 -11.618 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.485 6.360 -9.353 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.904 8.012 -9.293 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.438 8.233 -9.415 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.478 6.895 -8.775 1.00 0.00 H new ATOM 328 N ASN A 21 7.595 8.802 -12.673 1.00 0.00 N ATOM 329 CA ASN A 21 7.775 10.154 -13.174 1.00 0.00 C ATOM 330 C ASN A 21 6.826 10.386 -14.351 1.00 0.00 C ATOM 331 O ASN A 21 6.579 9.479 -15.142 1.00 0.00 O ATOM 332 CB ASN A 21 9.206 10.370 -13.670 1.00 0.00 C ATOM 333 CG ASN A 21 10.223 10.024 -12.581 1.00 0.00 C ATOM 334 OD1 ASN A 21 10.835 8.968 -12.581 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.370 10.968 -11.657 1.00 0.00 N ATOM 0 H ASN A 21 8.124 8.088 -13.174 1.00 0.00 H new ATOM 0 HA ASN A 21 7.567 10.848 -12.359 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.386 9.753 -14.550 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.335 11.408 -13.977 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.027 10.831 -10.888 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.826 11.829 -11.717 1.00 0.00 H new ATOM 342 N SER A 22 6.320 11.609 -14.428 1.00 0.00 N ATOM 343 CA SER A 22 5.404 11.973 -15.495 1.00 0.00 C ATOM 344 C SER A 22 6.147 12.017 -16.832 1.00 0.00 C ATOM 345 O SER A 22 5.571 12.385 -17.856 1.00 0.00 O ATOM 346 CB SER A 22 4.739 13.322 -15.214 1.00 0.00 C ATOM 347 OG SER A 22 5.697 14.353 -14.986 1.00 0.00 O ATOM 0 H SER A 22 6.527 12.359 -13.769 1.00 0.00 H new ATOM 0 HA SER A 22 4.622 11.216 -15.546 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.105 13.596 -16.057 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.090 13.232 -14.343 1.00 0.00 H new ATOM 0 HG SER A 22 5.233 15.198 -14.812 1.00 0.00 H new ATOM 353 N LYS A 23 7.416 11.637 -16.780 1.00 0.00 N ATOM 354 CA LYS A 23 8.243 11.627 -17.974 1.00 0.00 C ATOM 355 C LYS A 23 8.686 10.194 -18.272 1.00 0.00 C ATOM 356 O LYS A 23 9.224 9.916 -19.343 1.00 0.00 O ATOM 357 CB LYS A 23 9.406 12.612 -17.827 1.00 0.00 C ATOM 358 CG LYS A 23 10.177 12.749 -19.141 1.00 0.00 C ATOM 359 CD LYS A 23 11.531 13.425 -18.914 1.00 0.00 C ATOM 360 CE LYS A 23 12.679 12.435 -19.123 1.00 0.00 C ATOM 361 NZ LYS A 23 13.962 13.030 -18.682 1.00 0.00 N ATOM 0 H LYS A 23 7.891 11.334 -15.930 1.00 0.00 H new ATOM 0 HA LYS A 23 7.671 11.969 -18.836 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.026 13.587 -17.521 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.079 12.271 -17.040 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.328 11.764 -19.583 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.591 13.331 -19.852 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.641 14.266 -19.599 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.575 13.830 -17.903 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.484 11.520 -18.564 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.742 12.159 -20.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.731 12.346 -18.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.153 13.891 -19.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.904 13.272 -17.672 1.00 0.00 H new ATOM 375 N SER A 24 8.442 9.320 -17.305 1.00 0.00 N ATOM 376 CA SER A 24 8.808 7.921 -17.450 1.00 0.00 C ATOM 377 C SER A 24 7.939 7.056 -16.538 1.00 0.00 C ATOM 378 O SER A 24 8.433 6.121 -15.910 1.00 0.00 O ATOM 379 CB SER A 24 10.290 7.705 -17.136 1.00 0.00 C ATOM 380 OG SER A 24 11.088 7.680 -18.315 1.00 0.00 O ATOM 0 H SER A 24 7.995 9.554 -16.418 1.00 0.00 H new ATOM 0 HA SER A 24 8.638 7.628 -18.486 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.641 8.500 -16.478 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.413 6.767 -16.595 1.00 0.00 H new ATOM 0 HG SER A 24 10.740 8.332 -18.959 1.00 0.00 H new ATOM 386 N THR A 25 6.660 7.396 -16.494 1.00 0.00 N ATOM 387 CA THR A 25 5.716 6.662 -15.668 1.00 0.00 C ATOM 388 C THR A 25 5.387 5.312 -16.307 1.00 0.00 C ATOM 389 O THR A 25 4.834 5.259 -17.405 1.00 0.00 O ATOM 390 CB THR A 25 4.487 7.547 -15.452 1.00 0.00 C ATOM 391 OG1 THR A 25 4.669 8.622 -16.367 1.00 0.00 O ATOM 392 CG2 THR A 25 4.487 8.222 -14.078 1.00 0.00 C ATOM 0 H THR A 25 6.254 8.171 -17.018 1.00 0.00 H new ATOM 0 HA THR A 25 6.142 6.430 -14.692 1.00 0.00 H new ATOM 0 HB THR A 25 3.583 6.948 -15.562 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.288 9.277 -15.983 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.594 8.838 -13.975 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.494 7.460 -13.298 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.374 8.849 -13.980 1.00 0.00 H new ATOM 400 N TRP A 26 5.742 4.253 -15.594 1.00 0.00 N ATOM 401 CA TRP A 26 5.491 2.906 -16.078 1.00 0.00 C ATOM 402 C TRP A 26 4.449 2.260 -15.162 1.00 0.00 C ATOM 403 O TRP A 26 4.430 2.516 -13.960 1.00 0.00 O ATOM 404 CB TRP A 26 6.790 2.102 -16.163 1.00 0.00 C ATOM 405 CG TRP A 26 7.816 2.682 -17.140 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.941 3.952 -17.549 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.863 1.954 -17.818 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.988 4.096 -18.437 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.565 2.843 -18.607 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.205 0.591 -17.767 1.00 0.00 C ATOM 411 CZ2 TRP A 26 10.653 2.466 -19.403 1.00 0.00 C ATOM 412 CZ3 TRP A 26 10.294 0.231 -18.569 1.00 0.00 C ATOM 413 CH2 TRP A 26 11.012 1.113 -19.368 1.00 0.00 C ATOM 0 H TRP A 26 6.202 4.301 -14.685 1.00 0.00 H new ATOM 0 HA TRP A 26 5.096 2.930 -17.094 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.238 2.048 -15.171 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.555 1.081 -16.462 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.303 4.761 -17.225 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.284 4.963 -18.886 1.00 0.00 H new ATOM 0 HE3 TRP A 26 8.670 -0.122 -17.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.187 3.181 -20.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 10.598 -0.805 -18.567 1.00 0.00 H new ATOM 0 HH2 TRP A 26 11.843 0.757 -19.959 1.00 0.00 H new ATOM 424 N LEU A 27 3.607 1.436 -15.766 1.00 0.00 N ATOM 425 CA LEU A 27 2.563 0.752 -15.021 1.00 0.00 C ATOM 426 C LEU A 27 2.263 -0.592 -15.688 1.00 0.00 C ATOM 427 O LEU A 27 2.722 -0.854 -16.798 1.00 0.00 O ATOM 428 CB LEU A 27 1.334 1.653 -14.869 1.00 0.00 C ATOM 429 CG LEU A 27 0.288 1.550 -15.980 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.954 1.474 -17.355 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.659 0.375 -15.736 1.00 0.00 C ATOM 0 H LEU A 27 3.626 1.226 -16.764 1.00 0.00 H new ATOM 0 HA LEU A 27 2.898 0.536 -14.006 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.852 1.420 -13.920 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.671 2.688 -14.809 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.316 2.457 -15.964 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.188 1.401 -18.127 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.551 2.371 -17.520 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.598 0.596 -17.399 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.392 0.325 -16.541 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.088 -0.553 -15.708 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.173 0.514 -14.785 1.00 0.00 H new ATOM 443 N ILE A 28 1.493 -1.407 -14.981 1.00 0.00 N ATOM 444 CA ILE A 28 1.126 -2.717 -15.491 1.00 0.00 C ATOM 445 C ILE A 28 -0.355 -2.715 -15.874 1.00 0.00 C ATOM 446 O ILE A 28 -1.193 -2.224 -15.119 1.00 0.00 O ATOM 447 CB ILE A 28 1.499 -3.808 -14.485 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.544 -3.302 -13.489 1.00 0.00 C ATOM 449 CG2 ILE A 28 1.959 -5.081 -15.200 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.942 -3.301 -14.112 1.00 0.00 C ATOM 0 H ILE A 28 1.114 -1.185 -14.060 1.00 0.00 H new ATOM 0 HA ILE A 28 1.689 -2.944 -16.396 1.00 0.00 H new ATOM 0 HB ILE A 28 0.607 -4.064 -13.914 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.285 -2.294 -13.166 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.539 -3.932 -12.600 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.218 -5.840 -14.462 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.155 -5.452 -15.835 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.832 -4.859 -15.813 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.665 -2.937 -13.382 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.208 -4.315 -14.411 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.950 -2.651 -14.987 1.00 0.00 H new ATOM 462 N LEU A 29 -0.632 -3.268 -17.046 1.00 0.00 N ATOM 463 CA LEU A 29 -1.998 -3.335 -17.537 1.00 0.00 C ATOM 464 C LEU A 29 -2.251 -4.718 -18.139 1.00 0.00 C ATOM 465 O LEU A 29 -1.656 -5.076 -19.153 1.00 0.00 O ATOM 466 CB LEU A 29 -2.276 -2.183 -18.505 1.00 0.00 C ATOM 467 CG LEU A 29 -3.638 -1.500 -18.361 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.104 -0.919 -19.697 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.670 -2.455 -17.758 1.00 0.00 C ATOM 0 H LEU A 29 0.066 -3.674 -17.669 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.705 -3.210 -16.717 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.499 -1.430 -18.375 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.187 -2.561 -19.524 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.530 -0.665 -17.668 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.074 -0.439 -19.567 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.380 -0.183 -20.046 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.191 -1.720 -20.431 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.629 -1.944 -17.667 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.782 -3.325 -18.405 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.335 -2.777 -16.772 1.00 0.00 H new ATOM 481 N HIS A 30 -3.137 -5.459 -17.487 1.00 0.00 N ATOM 482 CA HIS A 30 -3.476 -6.795 -17.946 1.00 0.00 C ATOM 483 C HIS A 30 -2.341 -7.761 -17.597 1.00 0.00 C ATOM 484 O HIS A 30 -2.590 -8.898 -17.201 1.00 0.00 O ATOM 485 CB HIS A 30 -3.811 -6.789 -19.439 1.00 0.00 C ATOM 486 CG HIS A 30 -4.471 -8.058 -19.924 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.761 -9.099 -20.498 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.778 -8.442 -19.917 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.615 -10.060 -20.818 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.864 -9.651 -20.457 1.00 0.00 N ATOM 0 H HIS A 30 -3.629 -5.159 -16.646 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.373 -7.142 -17.434 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.468 -5.946 -19.650 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.894 -6.628 -20.006 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.605 -7.861 -19.536 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.365 -11.002 -21.283 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.723 -10.186 -20.581 1.00 0.00 H new ATOM 499 N TYR A 31 -1.121 -7.271 -17.758 1.00 0.00 N ATOM 500 CA TYR A 31 0.054 -8.076 -17.466 1.00 0.00 C ATOM 501 C TYR A 31 1.299 -7.494 -18.136 1.00 0.00 C ATOM 502 O TYR A 31 2.416 -7.923 -17.855 1.00 0.00 O ATOM 503 CB TYR A 31 -0.228 -9.461 -18.055 1.00 0.00 C ATOM 504 CG TYR A 31 0.982 -10.104 -18.737 1.00 0.00 C ATOM 505 CD1 TYR A 31 2.105 -10.415 -17.998 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.948 -10.372 -20.091 1.00 0.00 C ATOM 507 CE1 TYR A 31 3.243 -11.021 -18.640 1.00 0.00 C ATOM 508 CE2 TYR A 31 2.086 -10.976 -20.732 1.00 0.00 C ATOM 509 CZ TYR A 31 3.177 -11.272 -19.975 1.00 0.00 C ATOM 510 OH TYR A 31 4.252 -11.843 -20.582 1.00 0.00 O ATOM 0 H TYR A 31 -0.920 -6.327 -18.087 1.00 0.00 H new ATOM 0 HA TYR A 31 0.241 -8.107 -16.393 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.576 -10.119 -17.259 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.039 -9.379 -18.778 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.131 -10.204 -16.939 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.068 -10.129 -20.668 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.128 -11.270 -18.074 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.074 -11.190 -21.791 1.00 0.00 H new ATOM 0 HH TYR A 31 4.063 -11.965 -21.536 1.00 0.00 H new ATOM 520 N LYS A 32 1.064 -6.525 -19.008 1.00 0.00 N ATOM 521 CA LYS A 32 2.153 -5.879 -19.719 1.00 0.00 C ATOM 522 C LYS A 32 2.485 -4.550 -19.039 1.00 0.00 C ATOM 523 O LYS A 32 1.795 -4.136 -18.108 1.00 0.00 O ATOM 524 CB LYS A 32 1.816 -5.741 -21.206 1.00 0.00 C ATOM 525 CG LYS A 32 1.574 -7.112 -21.843 1.00 0.00 C ATOM 526 CD LYS A 32 0.194 -7.177 -22.498 1.00 0.00 C ATOM 527 CE LYS A 32 0.230 -8.027 -23.771 1.00 0.00 C ATOM 528 NZ LYS A 32 -0.668 -7.456 -24.800 1.00 0.00 N ATOM 0 H LYS A 32 0.135 -6.172 -19.238 1.00 0.00 H new ATOM 0 HA LYS A 32 3.052 -6.493 -19.675 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.929 -5.119 -21.325 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.632 -5.235 -21.722 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.344 -7.311 -22.588 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.657 -7.889 -21.083 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.526 -7.597 -21.796 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.146 -6.170 -22.739 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.249 -8.075 -24.155 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.073 -9.049 -23.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.632 -8.044 -25.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.642 -7.433 -24.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.362 -6.489 -25.030 1.00 0.00 H new ATOM 542 N VAL A 33 3.540 -3.917 -19.530 1.00 0.00 N ATOM 543 CA VAL A 33 3.972 -2.643 -18.980 1.00 0.00 C ATOM 544 C VAL A 33 3.854 -1.561 -20.056 1.00 0.00 C ATOM 545 O VAL A 33 4.318 -1.746 -21.181 1.00 0.00 O ATOM 546 CB VAL A 33 5.386 -2.769 -18.412 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.797 -1.495 -17.673 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.503 -3.994 -17.501 1.00 0.00 C ATOM 0 H VAL A 33 4.109 -4.263 -20.303 1.00 0.00 H new ATOM 0 HA VAL A 33 3.329 -2.349 -18.151 1.00 0.00 H new ATOM 0 HB VAL A 33 6.072 -2.906 -19.248 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.807 -1.612 -17.279 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.772 -0.651 -18.362 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.106 -1.313 -16.850 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.518 -4.061 -17.110 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.801 -3.900 -16.673 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.274 -4.894 -18.071 1.00 0.00 H new ATOM 558 N TYR A 34 3.230 -0.457 -19.674 1.00 0.00 N ATOM 559 CA TYR A 34 3.046 0.654 -20.593 1.00 0.00 C ATOM 560 C TYR A 34 3.656 1.938 -20.029 1.00 0.00 C ATOM 561 O TYR A 34 3.757 2.101 -18.814 1.00 0.00 O ATOM 562 CB TYR A 34 1.533 0.839 -20.733 1.00 0.00 C ATOM 563 CG TYR A 34 0.770 -0.458 -21.009 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.718 -1.446 -20.048 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.135 -0.638 -22.221 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.000 -2.667 -20.309 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.583 -1.860 -22.482 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.616 -2.813 -21.513 1.00 0.00 C ATOM 569 OH TYR A 34 -1.295 -3.965 -21.759 1.00 0.00 O ATOM 0 H TYR A 34 2.845 -0.308 -18.741 1.00 0.00 H new ATOM 0 HA TYR A 34 3.532 0.448 -21.547 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.146 1.288 -19.818 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.337 1.543 -21.542 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.216 -1.304 -19.100 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.176 0.136 -22.973 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.048 -3.449 -19.566 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.084 -2.015 -23.426 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.470 -4.429 -20.913 1.00 0.00 H new ATOM 579 N ASP A 35 4.047 2.820 -20.939 1.00 0.00 N ATOM 580 CA ASP A 35 4.644 4.085 -20.547 1.00 0.00 C ATOM 581 C ASP A 35 3.543 5.134 -20.383 1.00 0.00 C ATOM 582 O ASP A 35 3.259 5.892 -21.309 1.00 0.00 O ATOM 583 CB ASP A 35 5.620 4.586 -21.613 1.00 0.00 C ATOM 584 CG ASP A 35 6.927 5.167 -21.073 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.737 4.361 -20.563 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.088 6.401 -21.178 1.00 0.00 O ATOM 0 H ASP A 35 3.962 2.683 -21.946 1.00 0.00 H new ATOM 0 HA ASP A 35 5.181 3.930 -19.611 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.857 3.760 -22.283 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.121 5.349 -22.211 1.00 0.00 H new ATOM 591 N LEU A 36 2.951 5.143 -19.198 1.00 0.00 N ATOM 592 CA LEU A 36 1.888 6.087 -18.900 1.00 0.00 C ATOM 593 C LEU A 36 2.323 7.491 -19.325 1.00 0.00 C ATOM 594 O LEU A 36 1.486 8.340 -19.627 1.00 0.00 O ATOM 595 CB LEU A 36 1.479 5.988 -17.429 1.00 0.00 C ATOM 596 CG LEU A 36 0.640 4.768 -17.045 1.00 0.00 C ATOM 597 CD1 LEU A 36 -0.071 4.989 -15.709 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.341 4.404 -18.163 1.00 0.00 C ATOM 0 H LEU A 36 3.187 4.511 -18.433 1.00 0.00 H new ATOM 0 HA LEU A 36 0.993 5.844 -19.472 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.383 5.988 -16.821 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.919 6.886 -17.167 1.00 0.00 H new ATOM 0 HG LEU A 36 1.311 3.919 -16.915 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.660 4.106 -15.460 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.669 5.164 -14.928 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.729 5.855 -15.786 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.925 3.533 -17.865 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.010 5.244 -18.348 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.213 4.175 -19.073 1.00 0.00 H new ATOM 610 N THR A 37 3.632 7.692 -19.331 1.00 0.00 N ATOM 611 CA THR A 37 4.191 8.979 -19.714 1.00 0.00 C ATOM 612 C THR A 37 3.628 9.424 -21.066 1.00 0.00 C ATOM 613 O THR A 37 3.466 10.618 -21.313 1.00 0.00 O ATOM 614 CB THR A 37 5.715 8.856 -19.701 1.00 0.00 C ATOM 615 OG1 THR A 37 6.093 9.363 -18.424 1.00 0.00 O ATOM 616 CG2 THR A 37 6.388 9.807 -20.694 1.00 0.00 C ATOM 0 H THR A 37 4.323 6.986 -19.077 1.00 0.00 H new ATOM 0 HA THR A 37 3.908 9.759 -19.007 1.00 0.00 H new ATOM 0 HB THR A 37 5.998 7.829 -19.933 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.331 9.306 -17.811 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.469 9.679 -20.644 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.042 9.584 -21.703 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.132 10.836 -20.442 1.00 0.00 H new ATOM 624 N LYS A 38 3.344 8.438 -21.905 1.00 0.00 N ATOM 625 CA LYS A 38 2.802 8.713 -23.226 1.00 0.00 C ATOM 626 C LYS A 38 1.283 8.865 -23.128 1.00 0.00 C ATOM 627 O LYS A 38 0.675 9.580 -23.922 1.00 0.00 O ATOM 628 CB LYS A 38 3.251 7.643 -24.222 1.00 0.00 C ATOM 629 CG LYS A 38 4.665 7.925 -24.730 1.00 0.00 C ATOM 630 CD LYS A 38 4.661 9.052 -25.767 1.00 0.00 C ATOM 631 CE LYS A 38 6.074 9.325 -26.287 1.00 0.00 C ATOM 632 NZ LYS A 38 6.064 10.449 -27.247 1.00 0.00 N ATOM 0 H LYS A 38 3.479 7.449 -21.696 1.00 0.00 H new ATOM 0 HA LYS A 38 3.192 9.656 -23.610 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.221 6.663 -23.746 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.558 7.611 -25.063 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.308 8.198 -23.893 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.084 7.021 -25.172 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.009 8.783 -26.598 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.252 9.959 -25.322 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.736 9.557 -25.453 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.470 8.431 -26.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.031 10.621 -27.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.448 10.213 -28.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.706 11.305 -26.776 1.00 0.00 H new ATOM 646 N PHE A 39 0.713 8.179 -22.147 1.00 0.00 N ATOM 647 CA PHE A 39 -0.723 8.229 -21.935 1.00 0.00 C ATOM 648 C PHE A 39 -1.135 9.548 -21.281 1.00 0.00 C ATOM 649 O PHE A 39 -2.254 10.021 -21.479 1.00 0.00 O ATOM 650 CB PHE A 39 -1.076 7.075 -20.995 1.00 0.00 C ATOM 651 CG PHE A 39 -0.808 5.689 -21.584 1.00 0.00 C ATOM 652 CD1 PHE A 39 0.459 5.195 -21.616 1.00 0.00 C ATOM 653 CD2 PHE A 39 -1.839 4.948 -22.075 1.00 0.00 C ATOM 654 CE1 PHE A 39 0.706 3.909 -22.164 1.00 0.00 C ATOM 655 CE2 PHE A 39 -1.591 3.661 -22.622 1.00 0.00 C ATOM 656 CZ PHE A 39 -0.323 3.169 -22.654 1.00 0.00 C ATOM 0 H PHE A 39 1.221 7.586 -21.491 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.243 8.150 -22.890 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.505 7.183 -20.073 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.130 7.147 -20.727 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.277 5.781 -21.224 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.845 5.339 -22.049 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.713 3.518 -22.192 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.409 3.073 -23.012 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.134 2.190 -23.069 1.00 0.00 H new ATOM 666 N LEU A 40 -0.210 10.107 -20.514 1.00 0.00 N ATOM 667 CA LEU A 40 -0.465 11.363 -19.829 1.00 0.00 C ATOM 668 C LEU A 40 -1.086 12.358 -20.810 1.00 0.00 C ATOM 669 O LEU A 40 -1.770 13.294 -20.403 1.00 0.00 O ATOM 670 CB LEU A 40 0.813 11.875 -19.159 1.00 0.00 C ATOM 671 CG LEU A 40 0.937 11.608 -17.658 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.091 10.111 -17.378 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.076 12.426 -17.047 1.00 0.00 C ATOM 0 H LEU A 40 0.717 9.713 -20.352 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.185 11.219 -19.024 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.669 11.422 -19.660 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.880 12.950 -19.323 1.00 0.00 H new ATOM 0 HG LEU A 40 0.015 11.932 -17.176 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.177 9.949 -16.304 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.219 9.578 -17.757 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.987 9.738 -17.874 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.142 12.217 -15.979 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.016 12.157 -17.528 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.883 13.488 -17.198 1.00 0.00 H new ATOM 685 N GLU A 41 -0.823 12.121 -22.088 1.00 0.00 N ATOM 686 CA GLU A 41 -1.349 12.985 -23.132 1.00 0.00 C ATOM 687 C GLU A 41 -2.762 12.549 -23.521 1.00 0.00 C ATOM 688 O GLU A 41 -3.628 13.388 -23.767 1.00 0.00 O ATOM 689 CB GLU A 41 -0.423 12.997 -24.351 1.00 0.00 C ATOM 690 CG GLU A 41 0.059 14.417 -24.660 1.00 0.00 C ATOM 691 CD GLU A 41 0.014 14.696 -26.162 1.00 0.00 C ATOM 692 OE1 GLU A 41 0.781 14.026 -26.888 1.00 0.00 O ATOM 693 OE2 GLU A 41 -0.788 15.573 -26.553 1.00 0.00 O ATOM 0 H GLU A 41 -0.253 11.344 -22.423 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.399 14.002 -22.744 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.435 12.350 -24.167 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.949 12.591 -25.215 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.565 15.139 -24.134 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.077 14.547 -24.293 1.00 0.00 H new ATOM 700 N GLU A 42 -2.951 11.239 -23.564 1.00 0.00 N ATOM 701 CA GLU A 42 -4.245 10.680 -23.921 1.00 0.00 C ATOM 702 C GLU A 42 -4.969 10.179 -22.669 1.00 0.00 C ATOM 703 O GLU A 42 -4.772 9.040 -22.249 1.00 0.00 O ATOM 704 CB GLU A 42 -4.095 9.562 -24.952 1.00 0.00 C ATOM 705 CG GLU A 42 -5.086 9.741 -26.105 1.00 0.00 C ATOM 706 CD GLU A 42 -4.373 9.678 -27.457 1.00 0.00 C ATOM 707 OE1 GLU A 42 -4.047 8.545 -27.874 1.00 0.00 O ATOM 708 OE2 GLU A 42 -4.169 10.763 -28.041 1.00 0.00 O ATOM 0 H GLU A 42 -2.230 10.548 -23.358 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.846 11.468 -24.375 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.077 9.556 -25.341 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.259 8.597 -24.473 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.850 8.965 -26.056 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.597 10.698 -26.004 1.00 0.00 H new ATOM 715 N HIS A 43 -5.790 11.055 -22.108 1.00 0.00 N ATOM 716 CA HIS A 43 -6.544 10.715 -20.913 1.00 0.00 C ATOM 717 C HIS A 43 -7.384 11.918 -20.478 1.00 0.00 C ATOM 718 O HIS A 43 -6.866 13.025 -20.341 1.00 0.00 O ATOM 719 CB HIS A 43 -5.613 10.210 -19.810 1.00 0.00 C ATOM 720 CG HIS A 43 -6.214 9.126 -18.946 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.059 9.396 -17.884 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.084 7.770 -19.002 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.414 8.246 -17.331 1.00 0.00 C ATOM 724 NE2 HIS A 43 -6.809 7.239 -18.024 1.00 0.00 N ATOM 0 H HIS A 43 -5.950 11.999 -22.459 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.231 9.897 -21.130 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.698 9.831 -20.266 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.329 11.050 -19.176 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.358 10.322 -17.579 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.492 7.221 -19.720 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.068 8.127 -16.480 1.00 0.00 H new ATOM 733 N PRO A 44 -8.700 11.651 -20.265 1.00 0.00 N ATOM 734 CA PRO A 44 -9.617 12.698 -19.848 1.00 0.00 C ATOM 735 C PRO A 44 -9.413 13.047 -18.371 1.00 0.00 C ATOM 736 O PRO A 44 -9.311 14.221 -18.016 1.00 0.00 O ATOM 737 CB PRO A 44 -11.003 12.148 -20.143 1.00 0.00 C ATOM 738 CG PRO A 44 -10.834 10.644 -20.279 1.00 0.00 C ATOM 739 CD PRO A 44 -9.349 10.351 -20.416 1.00 0.00 C ATOM 0 HA PRO A 44 -9.455 13.636 -20.379 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.699 12.392 -19.340 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.408 12.580 -21.058 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.245 10.134 -19.408 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.377 10.276 -21.149 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.012 9.649 -19.653 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.121 9.904 -21.384 1.00 0.00 H new ATOM 747 N GLY A 45 -9.363 12.008 -17.552 1.00 0.00 N ATOM 748 CA GLY A 45 -9.173 12.191 -16.122 1.00 0.00 C ATOM 749 C GLY A 45 -8.005 13.137 -15.840 1.00 0.00 C ATOM 750 O GLY A 45 -8.128 14.059 -15.036 1.00 0.00 O ATOM 0 H GLY A 45 -9.451 11.036 -17.850 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.085 12.591 -15.679 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.986 11.226 -15.650 1.00 0.00 H new ATOM 754 N GLY A 46 -6.897 12.876 -16.517 1.00 0.00 N ATOM 755 CA GLY A 46 -5.706 13.693 -16.350 1.00 0.00 C ATOM 756 C GLY A 46 -4.440 12.837 -16.418 1.00 0.00 C ATOM 757 O GLY A 46 -4.472 11.714 -16.918 1.00 0.00 O ATOM 0 H GLY A 46 -6.798 12.110 -17.183 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.674 14.458 -17.126 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.748 14.211 -15.392 1.00 0.00 H new ATOM 761 N GLU A 47 -3.356 13.401 -15.907 1.00 0.00 N ATOM 762 CA GLU A 47 -2.080 12.704 -15.904 1.00 0.00 C ATOM 763 C GLU A 47 -1.969 11.809 -14.668 1.00 0.00 C ATOM 764 O GLU A 47 -1.577 10.647 -14.772 1.00 0.00 O ATOM 765 CB GLU A 47 -0.915 13.692 -15.972 1.00 0.00 C ATOM 766 CG GLU A 47 -0.722 14.213 -17.397 1.00 0.00 C ATOM 767 CD GLU A 47 -0.894 15.733 -17.454 1.00 0.00 C ATOM 768 OE1 GLU A 47 -2.058 16.175 -17.357 1.00 0.00 O ATOM 769 OE2 GLU A 47 0.143 16.417 -17.593 1.00 0.00 O ATOM 0 H GLU A 47 -3.334 14.333 -15.492 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.030 12.074 -16.792 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.102 14.528 -15.298 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.001 13.206 -15.632 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.271 13.942 -17.755 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.442 13.737 -18.063 1.00 0.00 H new ATOM 776 N GLU A 48 -2.320 12.383 -13.527 1.00 0.00 N ATOM 777 CA GLU A 48 -2.265 11.651 -12.272 1.00 0.00 C ATOM 778 C GLU A 48 -2.972 10.301 -12.413 1.00 0.00 C ATOM 779 O GLU A 48 -2.441 9.272 -11.995 1.00 0.00 O ATOM 780 CB GLU A 48 -2.871 12.471 -11.132 1.00 0.00 C ATOM 781 CG GLU A 48 -1.940 12.496 -9.920 1.00 0.00 C ATOM 782 CD GLU A 48 -1.956 13.869 -9.244 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.072 14.411 -9.089 1.00 0.00 O ATOM 784 OE2 GLU A 48 -0.853 14.345 -8.897 1.00 0.00 O ATOM 0 H GLU A 48 -2.644 13.347 -13.445 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.219 11.467 -12.027 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.059 13.490 -11.472 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.834 12.048 -10.847 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.246 11.732 -9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.924 12.252 -10.232 1.00 0.00 H new ATOM 791 N VAL A 49 -4.156 10.348 -13.004 1.00 0.00 N ATOM 792 CA VAL A 49 -4.940 9.142 -13.205 1.00 0.00 C ATOM 793 C VAL A 49 -4.014 8.002 -13.631 1.00 0.00 C ATOM 794 O VAL A 49 -4.306 6.832 -13.380 1.00 0.00 O ATOM 795 CB VAL A 49 -6.061 9.408 -14.212 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.493 9.723 -15.596 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.034 8.229 -14.274 1.00 0.00 C ATOM 0 H VAL A 49 -4.592 11.203 -13.350 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.421 8.840 -12.275 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.615 10.282 -13.871 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.311 9.908 -16.292 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.860 10.609 -15.537 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.902 8.878 -15.948 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.821 8.444 -14.997 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.498 7.330 -14.578 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.478 8.072 -13.291 1.00 0.00 H new ATOM 807 N LEU A 50 -2.915 8.380 -14.267 1.00 0.00 N ATOM 808 CA LEU A 50 -1.943 7.404 -14.729 1.00 0.00 C ATOM 809 C LEU A 50 -0.695 7.475 -13.849 1.00 0.00 C ATOM 810 O LEU A 50 -0.121 6.446 -13.494 1.00 0.00 O ATOM 811 CB LEU A 50 -1.655 7.599 -16.221 1.00 0.00 C ATOM 812 CG LEU A 50 -2.875 7.610 -17.143 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.973 8.932 -17.907 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.862 6.404 -18.084 1.00 0.00 C ATOM 0 H LEU A 50 -2.676 9.350 -14.473 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.343 6.395 -14.633 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.120 8.540 -16.348 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.984 6.805 -16.548 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.770 7.527 -16.526 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.849 8.913 -18.555 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.063 9.756 -17.199 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.077 9.070 -18.512 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.740 6.436 -18.729 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.961 6.430 -18.697 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.875 5.485 -17.498 1.00 0.00 H new ATOM 826 N ARG A 51 -0.312 8.700 -13.519 1.00 0.00 N ATOM 827 CA ARG A 51 0.859 8.920 -12.685 1.00 0.00 C ATOM 828 C ARG A 51 0.629 8.344 -11.287 1.00 0.00 C ATOM 829 O ARG A 51 1.501 7.672 -10.736 1.00 0.00 O ATOM 830 CB ARG A 51 1.181 10.410 -12.568 1.00 0.00 C ATOM 831 CG ARG A 51 2.688 10.637 -12.433 1.00 0.00 C ATOM 832 CD ARG A 51 3.016 11.380 -11.136 1.00 0.00 C ATOM 833 NE ARG A 51 4.246 12.186 -11.312 1.00 0.00 N ATOM 834 CZ ARG A 51 4.604 13.194 -10.507 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.831 13.526 -9.464 1.00 0.00 N ATOM 836 NH2 ARG A 51 5.737 13.869 -10.741 1.00 0.00 N ATOM 0 H ARG A 51 -0.791 9.551 -13.814 1.00 0.00 H new ATOM 0 HA ARG A 51 1.702 8.415 -13.157 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.808 10.936 -13.447 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.668 10.830 -11.703 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.207 9.678 -12.448 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.051 11.210 -13.286 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.184 12.027 -10.857 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.152 10.667 -10.323 1.00 0.00 H new ATOM 0 HE ARG A 51 4.859 11.959 -12.095 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.970 13.011 -9.283 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.104 14.294 -8.851 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.328 13.615 -11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.009 14.637 -10.127 1.00 0.00 H new ATOM 850 N GLU A 52 -0.550 8.626 -10.751 1.00 0.00 N ATOM 851 CA GLU A 52 -0.905 8.145 -9.427 1.00 0.00 C ATOM 852 C GLU A 52 -0.886 6.616 -9.396 1.00 0.00 C ATOM 853 O GLU A 52 -0.814 6.014 -8.325 1.00 0.00 O ATOM 854 CB GLU A 52 -2.269 8.686 -8.995 1.00 0.00 C ATOM 855 CG GLU A 52 -2.157 9.482 -7.693 1.00 0.00 C ATOM 856 CD GLU A 52 -2.067 8.546 -6.485 1.00 0.00 C ATOM 857 OE1 GLU A 52 -3.128 8.004 -6.107 1.00 0.00 O ATOM 858 OE2 GLU A 52 -0.939 8.393 -5.967 1.00 0.00 O ATOM 0 H GLU A 52 -1.272 9.182 -11.210 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.164 8.512 -8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.677 9.322 -9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.966 7.859 -8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.275 10.122 -7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.022 10.137 -7.587 1.00 0.00 H new ATOM 865 N GLN A 53 -0.952 6.030 -10.582 1.00 0.00 N ATOM 866 CA GLN A 53 -0.943 4.583 -10.703 1.00 0.00 C ATOM 867 C GLN A 53 0.446 4.092 -11.119 1.00 0.00 C ATOM 868 O GLN A 53 0.821 2.958 -10.825 1.00 0.00 O ATOM 869 CB GLN A 53 -2.010 4.109 -11.694 1.00 0.00 C ATOM 870 CG GLN A 53 -1.756 4.683 -13.090 1.00 0.00 C ATOM 871 CD GLN A 53 -2.660 4.016 -14.129 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.340 2.984 -14.696 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.800 4.662 -14.348 1.00 0.00 N ATOM 0 H GLN A 53 -1.012 6.532 -11.468 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.181 4.156 -9.729 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.011 3.020 -11.739 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.997 4.414 -11.345 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.935 5.758 -13.083 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.711 4.536 -13.363 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.005 5.521 -13.838 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.470 4.299 -15.026 1.00 0.00 H new ATOM 882 N ALA A 54 1.170 4.972 -11.794 1.00 0.00 N ATOM 883 CA ALA A 54 2.509 4.643 -12.253 1.00 0.00 C ATOM 884 C ALA A 54 3.353 4.186 -11.061 1.00 0.00 C ATOM 885 O ALA A 54 3.354 4.830 -10.013 1.00 0.00 O ATOM 886 CB ALA A 54 3.115 5.852 -12.966 1.00 0.00 C ATOM 0 H ALA A 54 0.855 5.912 -12.034 1.00 0.00 H new ATOM 0 HA ALA A 54 2.479 3.823 -12.970 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.119 5.606 -13.310 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.494 6.119 -13.821 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.165 6.694 -12.276 1.00 0.00 H new ATOM 892 N GLY A 55 4.050 3.077 -11.260 1.00 0.00 N ATOM 893 CA GLY A 55 4.896 2.526 -10.216 1.00 0.00 C ATOM 894 C GLY A 55 4.373 1.167 -9.747 1.00 0.00 C ATOM 895 O GLY A 55 4.719 0.706 -8.660 1.00 0.00 O ATOM 0 H GLY A 55 4.046 2.545 -12.130 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.915 2.419 -10.587 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.935 3.216 -9.373 1.00 0.00 H new ATOM 899 N GLY A 56 3.548 0.563 -10.589 1.00 0.00 N ATOM 900 CA GLY A 56 2.974 -0.734 -10.274 1.00 0.00 C ATOM 901 C GLY A 56 1.811 -1.061 -11.214 1.00 0.00 C ATOM 902 O GLY A 56 1.535 -0.313 -12.150 1.00 0.00 O ATOM 0 H GLY A 56 3.263 0.948 -11.490 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.740 -1.505 -10.356 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.625 -0.740 -9.241 1.00 0.00 H new ATOM 906 N ASP A 57 1.162 -2.181 -10.932 1.00 0.00 N ATOM 907 CA ASP A 57 0.036 -2.618 -11.740 1.00 0.00 C ATOM 908 C ASP A 57 -1.153 -1.687 -11.494 1.00 0.00 C ATOM 909 O ASP A 57 -1.469 -1.365 -10.351 1.00 0.00 O ATOM 910 CB ASP A 57 -0.392 -4.038 -11.367 1.00 0.00 C ATOM 911 CG ASP A 57 -1.847 -4.177 -10.913 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.725 -3.710 -11.670 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.048 -4.748 -9.818 1.00 0.00 O ATOM 0 H ASP A 57 1.394 -2.799 -10.155 1.00 0.00 H new ATOM 0 HA ASP A 57 0.343 -2.597 -12.786 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.232 -4.687 -12.228 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.258 -4.400 -10.570 1.00 0.00 H new ATOM 918 N ALA A 58 -1.780 -1.279 -12.589 1.00 0.00 N ATOM 919 CA ALA A 58 -2.926 -0.390 -12.508 1.00 0.00 C ATOM 920 C ALA A 58 -4.177 -1.135 -12.976 1.00 0.00 C ATOM 921 O ALA A 58 -5.297 -0.699 -12.716 1.00 0.00 O ATOM 922 CB ALA A 58 -2.655 0.871 -13.332 1.00 0.00 C ATOM 0 H ALA A 58 -1.515 -1.548 -13.537 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.095 -0.075 -11.478 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.515 1.538 -13.271 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.774 1.379 -12.940 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.483 0.596 -14.372 1.00 0.00 H new ATOM 928 N THR A 59 -3.944 -2.246 -13.660 1.00 0.00 N ATOM 929 CA THR A 59 -5.039 -3.057 -14.167 1.00 0.00 C ATOM 930 C THR A 59 -6.097 -3.262 -13.082 1.00 0.00 C ATOM 931 O THR A 59 -7.287 -3.061 -13.325 1.00 0.00 O ATOM 932 CB THR A 59 -4.451 -4.366 -14.697 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.411 -4.817 -15.649 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.428 -5.470 -13.639 1.00 0.00 C ATOM 0 H THR A 59 -3.013 -2.604 -13.875 1.00 0.00 H new ATOM 0 HA THR A 59 -5.553 -2.558 -14.989 1.00 0.00 H new ATOM 0 HB THR A 59 -3.438 -4.189 -15.057 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.923 -4.052 -15.985 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.001 -6.376 -14.068 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.822 -5.149 -12.792 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.445 -5.672 -13.302 1.00 0.00 H new ATOM 942 N GLU A 60 -5.628 -3.659 -11.909 1.00 0.00 N ATOM 943 CA GLU A 60 -6.521 -3.893 -10.786 1.00 0.00 C ATOM 944 C GLU A 60 -7.529 -2.751 -10.662 1.00 0.00 C ATOM 945 O GLU A 60 -8.690 -2.975 -10.327 1.00 0.00 O ATOM 946 CB GLU A 60 -5.732 -4.074 -9.488 1.00 0.00 C ATOM 947 CG GLU A 60 -5.783 -5.527 -9.013 1.00 0.00 C ATOM 948 CD GLU A 60 -6.462 -5.635 -7.647 1.00 0.00 C ATOM 949 OE1 GLU A 60 -5.745 -5.453 -6.639 1.00 0.00 O ATOM 950 OE2 GLU A 60 -7.685 -5.894 -7.640 1.00 0.00 O ATOM 0 H GLU A 60 -4.641 -3.825 -11.711 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.071 -4.816 -10.970 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.695 -3.775 -9.644 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.140 -3.421 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.324 -6.132 -9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.772 -5.929 -8.953 1.00 0.00 H new ATOM 957 N ASN A 61 -7.047 -1.547 -10.937 1.00 0.00 N ATOM 958 CA ASN A 61 -7.891 -0.367 -10.861 1.00 0.00 C ATOM 959 C ASN A 61 -8.540 -0.120 -12.224 1.00 0.00 C ATOM 960 O ASN A 61 -9.759 0.021 -12.319 1.00 0.00 O ATOM 961 CB ASN A 61 -7.074 0.873 -10.495 1.00 0.00 C ATOM 962 CG ASN A 61 -7.648 1.563 -9.255 1.00 0.00 C ATOM 963 OD1 ASN A 61 -7.181 1.386 -8.142 1.00 0.00 O ATOM 964 ND2 ASN A 61 -8.685 2.356 -9.510 1.00 0.00 N ATOM 0 H ASN A 61 -6.082 -1.364 -11.213 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.645 -0.542 -10.093 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.038 0.589 -10.310 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.069 1.570 -11.333 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.140 2.861 -8.750 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.025 2.459 -10.466 1.00 0.00 H new ATOM 971 N PHE A 62 -7.698 -0.075 -13.245 1.00 0.00 N ATOM 972 CA PHE A 62 -8.174 0.154 -14.599 1.00 0.00 C ATOM 973 C PHE A 62 -9.306 -0.814 -14.952 1.00 0.00 C ATOM 974 O PHE A 62 -10.053 -0.581 -15.900 1.00 0.00 O ATOM 975 CB PHE A 62 -6.992 -0.098 -15.537 1.00 0.00 C ATOM 976 CG PHE A 62 -7.330 -0.980 -16.740 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.509 -2.318 -16.574 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.453 -0.427 -17.977 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.822 -3.137 -17.691 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.765 -1.246 -19.094 1.00 0.00 C ATOM 981 CZ PHE A 62 -7.944 -2.584 -18.927 1.00 0.00 C ATOM 0 H PHE A 62 -6.688 -0.193 -13.162 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.558 1.170 -14.693 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.616 0.860 -15.896 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.186 -0.566 -14.972 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.413 -2.758 -15.592 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.313 0.636 -18.109 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.963 -4.200 -17.559 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.860 -0.807 -20.076 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.183 -3.207 -19.776 1.00 0.00 H new ATOM 991 N GLU A 63 -9.397 -1.879 -14.170 1.00 0.00 N ATOM 992 CA GLU A 63 -10.423 -2.884 -14.388 1.00 0.00 C ATOM 993 C GLU A 63 -11.738 -2.447 -13.738 1.00 0.00 C ATOM 994 O GLU A 63 -12.817 -2.741 -14.252 1.00 0.00 O ATOM 995 CB GLU A 63 -9.977 -4.248 -13.860 1.00 0.00 C ATOM 996 CG GLU A 63 -9.380 -5.101 -14.981 1.00 0.00 C ATOM 997 CD GLU A 63 -10.078 -6.460 -15.068 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.315 -6.451 -15.254 1.00 0.00 O ATOM 999 OE2 GLU A 63 -9.361 -7.476 -14.947 1.00 0.00 O ATOM 0 H GLU A 63 -8.776 -2.068 -13.383 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.585 -2.984 -15.461 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.239 -4.112 -13.069 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.827 -4.766 -13.417 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.477 -4.577 -15.932 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.314 -5.246 -14.804 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.607 -1.752 -12.618 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.771 -1.272 -11.893 1.00 0.00 C ATOM 1008 C ASP A 64 -13.424 -0.136 -12.681 1.00 0.00 C ATOM 1009 O ASP A 64 -14.641 0.033 -12.640 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.377 -0.729 -10.518 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.353 0.285 -9.920 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -14.291 -0.169 -9.230 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -13.142 1.492 -10.167 1.00 0.00 O ATOM 0 H ASP A 64 -10.711 -1.510 -12.194 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.459 -2.108 -11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.279 -1.567 -9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.395 -0.263 -10.596 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.586 0.614 -13.382 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.068 1.730 -14.179 1.00 0.00 C ATOM 1020 C VAL A 65 -13.576 1.208 -15.525 1.00 0.00 C ATOM 1021 O VAL A 65 -13.992 1.987 -16.380 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.967 2.783 -14.323 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.587 2.171 -14.079 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -12.033 3.460 -15.693 1.00 0.00 C ATOM 0 H VAL A 65 -11.577 0.471 -13.415 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.906 2.220 -13.683 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.132 3.547 -13.563 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.823 2.941 -14.188 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.545 1.758 -13.071 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.408 1.377 -14.804 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.240 4.204 -15.770 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.905 2.712 -16.475 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.001 3.948 -15.812 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.523 -0.108 -15.671 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.974 -0.743 -16.898 1.00 0.00 C ATOM 1036 C GLY A 66 -13.664 0.133 -18.114 1.00 0.00 C ATOM 1037 O GLY A 66 -14.561 0.763 -18.673 1.00 0.00 O ATOM 0 H GLY A 66 -13.175 -0.752 -14.960 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.488 -1.712 -17.010 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.047 -0.929 -16.843 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.393 0.145 -18.486 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.955 0.934 -19.625 1.00 0.00 C ATOM 1043 C HIS A 67 -12.603 0.395 -20.902 1.00 0.00 C ATOM 1044 O HIS A 67 -13.377 -0.560 -20.854 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.427 0.968 -19.705 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.784 1.941 -18.745 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.422 1.593 -17.456 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.442 3.252 -18.901 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.887 2.654 -16.870 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.901 3.682 -17.767 1.00 0.00 N ATOM 0 H HIS A 67 -11.652 -0.379 -18.019 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.279 1.968 -19.503 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.041 -0.032 -19.507 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.132 1.228 -20.722 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.546 0.675 -17.029 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.587 3.841 -19.795 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.507 2.698 -15.860 1.00 0.00 H new ATOM 1059 N SER A 68 -12.263 1.031 -22.014 1.00 0.00 N ATOM 1060 CA SER A 68 -12.802 0.628 -23.301 1.00 0.00 C ATOM 1061 C SER A 68 -11.735 -0.115 -24.106 1.00 0.00 C ATOM 1062 O SER A 68 -10.540 0.088 -23.896 1.00 0.00 O ATOM 1063 CB SER A 68 -13.314 1.836 -24.087 1.00 0.00 C ATOM 1064 OG SER A 68 -12.276 2.465 -24.834 1.00 0.00 O ATOM 0 H SER A 68 -11.621 1.823 -22.050 1.00 0.00 H new ATOM 0 HA SER A 68 -13.645 -0.040 -23.124 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.107 1.518 -24.764 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.753 2.557 -23.398 1.00 0.00 H new ATOM 0 HG SER A 68 -12.643 3.231 -25.323 1.00 0.00 H new ATOM 1070 N THR A 69 -12.204 -0.962 -25.011 1.00 0.00 N ATOM 1071 CA THR A 69 -11.305 -1.737 -25.849 1.00 0.00 C ATOM 1072 C THR A 69 -10.342 -0.812 -26.596 1.00 0.00 C ATOM 1073 O THR A 69 -9.250 -1.227 -26.980 1.00 0.00 O ATOM 1074 CB THR A 69 -12.155 -2.606 -26.777 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.521 -3.722 -25.970 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.337 -3.221 -27.914 1.00 0.00 C ATOM 0 H THR A 69 -13.196 -1.128 -25.182 1.00 0.00 H new ATOM 0 HA THR A 69 -10.675 -2.395 -25.250 1.00 0.00 H new ATOM 0 HB THR A 69 -12.964 -2.007 -27.194 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.076 -4.337 -26.494 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.988 -3.828 -28.543 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.892 -2.427 -28.513 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.548 -3.847 -27.497 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.782 0.425 -26.777 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.973 1.412 -27.471 1.00 0.00 C ATOM 1086 C ASP A 70 -8.817 1.846 -26.567 1.00 0.00 C ATOM 1087 O ASP A 70 -7.667 1.895 -27.002 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.795 2.656 -27.815 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.067 3.698 -28.667 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.113 3.294 -29.365 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.482 4.875 -28.601 1.00 0.00 O ATOM 0 H ASP A 70 -11.688 0.766 -26.455 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.604 0.957 -28.390 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.696 2.343 -28.342 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.117 3.128 -26.887 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.163 2.149 -25.324 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.169 2.576 -24.354 1.00 0.00 C ATOM 1098 C ALA A 71 -7.063 1.523 -24.266 1.00 0.00 C ATOM 1099 O ALA A 71 -5.878 1.857 -24.303 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.845 2.824 -23.004 1.00 0.00 C ATOM 0 H ALA A 71 -10.117 2.107 -24.967 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.708 3.514 -24.665 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.099 3.144 -22.277 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.602 3.601 -23.113 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.317 1.904 -22.659 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.487 0.274 -24.150 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.546 -0.831 -24.058 1.00 0.00 C ATOM 1108 C ARG A 72 -5.687 -0.904 -25.321 1.00 0.00 C ATOM 1109 O ARG A 72 -4.474 -1.093 -25.240 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.278 -2.163 -23.869 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.307 -2.067 -22.741 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.026 -3.402 -22.541 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.889 -3.338 -21.341 1.00 0.00 N ATOM 1114 CZ ARG A 72 -10.467 -4.405 -20.774 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.279 -5.625 -21.293 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -11.235 -4.252 -19.686 1.00 0.00 N ATOM 0 H ARG A 72 -8.469 0.001 -24.118 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.909 -0.653 -23.192 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.776 -2.444 -24.797 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.558 -2.949 -23.643 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.811 -1.774 -21.815 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.034 -1.289 -22.973 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.628 -3.635 -23.419 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.296 -4.204 -22.432 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.054 -2.424 -20.919 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.695 -5.743 -22.121 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.720 -6.437 -20.860 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.379 -3.323 -19.290 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.675 -5.064 -19.254 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.349 -0.750 -26.458 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.660 -0.797 -27.738 1.00 0.00 C ATOM 1132 C GLU A 73 -4.600 0.303 -27.809 1.00 0.00 C ATOM 1133 O GLU A 73 -3.456 0.046 -28.181 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.650 -0.682 -28.898 1.00 0.00 C ATOM 1135 CG GLU A 73 -7.026 -2.063 -29.437 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.181 -1.966 -30.435 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.072 -1.122 -31.350 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -9.149 -2.739 -30.261 1.00 0.00 O ATOM 0 H GLU A 73 -7.355 -0.593 -26.520 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.161 -1.762 -27.826 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.548 -0.161 -28.564 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.212 -0.083 -29.696 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.161 -2.517 -29.920 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.308 -2.715 -28.611 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.018 1.508 -27.448 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.120 2.649 -27.467 1.00 0.00 C ATOM 1147 C LEU A 74 -2.880 2.330 -26.628 1.00 0.00 C ATOM 1148 O LEU A 74 -1.768 2.721 -26.982 1.00 0.00 O ATOM 1149 CB LEU A 74 -4.852 3.917 -27.025 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.494 4.449 -25.636 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.487 5.597 -25.732 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.750 4.852 -24.862 1.00 0.00 C ATOM 0 H LEU A 74 -5.968 1.718 -27.141 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.777 2.846 -28.483 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.652 4.701 -27.755 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.924 3.722 -27.052 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.015 3.646 -25.076 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.249 5.957 -24.731 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.577 5.243 -26.216 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.917 6.410 -26.317 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.467 5.227 -23.878 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.280 5.632 -25.409 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.400 3.985 -24.747 1.00 0.00 H new ATOM 1164 N SER A 75 -3.113 1.625 -25.531 1.00 0.00 N ATOM 1165 CA SER A 75 -2.028 1.250 -24.638 1.00 0.00 C ATOM 1166 C SER A 75 -1.068 0.300 -25.353 1.00 0.00 C ATOM 1167 O SER A 75 0.143 0.362 -25.145 1.00 0.00 O ATOM 1168 CB SER A 75 -2.568 0.601 -23.362 1.00 0.00 C ATOM 1169 OG SER A 75 -3.988 0.673 -23.284 1.00 0.00 O ATOM 0 H SER A 75 -4.036 1.303 -25.240 1.00 0.00 H new ATOM 0 HA SER A 75 -1.488 2.153 -24.354 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.256 -0.443 -23.327 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.132 1.094 -22.493 1.00 0.00 H new ATOM 0 HG SER A 75 -4.292 1.534 -23.640 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.643 -0.560 -26.182 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.851 -1.523 -26.929 1.00 0.00 C ATOM 1177 C LYS A 76 0.131 -0.777 -27.834 1.00 0.00 C ATOM 1178 O LYS A 76 1.110 -1.355 -28.305 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.761 -2.496 -27.681 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.750 -2.210 -29.183 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.676 -3.169 -29.931 1.00 0.00 C ATOM 1182 CE LYS A 76 -1.986 -3.742 -31.171 1.00 0.00 C ATOM 1183 NZ LYS A 76 -2.991 -4.212 -32.153 1.00 0.00 N ATOM 0 H LYS A 76 -2.647 -0.610 -26.353 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.258 -2.136 -26.250 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.433 -3.520 -27.500 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.779 -2.416 -27.300 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.064 -1.182 -29.363 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.735 -2.306 -29.567 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.976 -3.981 -29.269 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.586 -2.646 -30.226 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.352 -2.981 -31.626 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.336 -4.568 -30.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.506 -4.598 -32.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.579 -4.953 -31.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.595 -3.415 -32.440 1.00 0.00 H new ATOM 1197 N THR A 77 -0.164 0.497 -28.051 1.00 0.00 N ATOM 1198 CA THR A 77 0.680 1.328 -28.891 1.00 0.00 C ATOM 1199 C THR A 77 1.744 2.032 -28.047 1.00 0.00 C ATOM 1200 O THR A 77 2.801 2.405 -28.556 1.00 0.00 O ATOM 1201 CB THR A 77 -0.221 2.294 -29.660 1.00 0.00 C ATOM 1202 OG1 THR A 77 -0.379 3.400 -28.777 1.00 0.00 O ATOM 1203 CG2 THR A 77 -1.641 1.754 -29.838 1.00 0.00 C ATOM 0 H THR A 77 -0.976 0.973 -27.659 1.00 0.00 H new ATOM 0 HA THR A 77 1.229 0.727 -29.616 1.00 0.00 H new ATOM 0 HB THR A 77 0.216 2.496 -30.638 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.184 3.272 -28.232 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.239 2.479 -30.390 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.607 0.815 -30.391 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.090 1.583 -28.860 1.00 0.00 H new ATOM 1211 N PHE A 78 1.430 2.195 -26.770 1.00 0.00 N ATOM 1212 CA PHE A 78 2.346 2.847 -25.850 1.00 0.00 C ATOM 1213 C PHE A 78 3.065 1.820 -24.971 1.00 0.00 C ATOM 1214 O PHE A 78 3.823 2.188 -24.075 1.00 0.00 O ATOM 1215 CB PHE A 78 1.506 3.765 -24.959 1.00 0.00 C ATOM 1216 CG PHE A 78 1.090 5.075 -25.632 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.351 5.274 -26.953 1.00 0.00 C ATOM 1218 CD2 PHE A 78 0.461 6.041 -24.911 1.00 0.00 C ATOM 1219 CE1 PHE A 78 0.968 6.489 -27.576 1.00 0.00 C ATOM 1220 CE2 PHE A 78 0.076 7.255 -25.535 1.00 0.00 C ATOM 1221 CZ PHE A 78 0.336 7.455 -26.855 1.00 0.00 C ATOM 0 H PHE A 78 0.553 1.886 -26.351 1.00 0.00 H new ATOM 0 HA PHE A 78 3.102 3.401 -26.407 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.610 3.229 -24.645 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.072 3.996 -24.057 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.850 4.507 -27.527 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.254 5.884 -23.863 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.178 6.648 -28.623 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.424 8.021 -24.962 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.041 8.379 -27.330 1.00 0.00 H new ATOM 1231 N ILE A 79 2.799 0.556 -25.256 1.00 0.00 N ATOM 1232 CA ILE A 79 3.410 -0.527 -24.504 1.00 0.00 C ATOM 1233 C ILE A 79 4.932 -0.443 -24.643 1.00 0.00 C ATOM 1234 O ILE A 79 5.450 -0.280 -25.747 1.00 0.00 O ATOM 1235 CB ILE A 79 2.827 -1.874 -24.932 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.641 -2.265 -24.048 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.907 -2.958 -24.952 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.356 -3.764 -24.143 1.00 0.00 C ATOM 0 H ILE A 79 2.167 0.256 -25.999 1.00 0.00 H new ATOM 0 HA ILE A 79 3.180 -0.430 -23.443 1.00 0.00 H new ATOM 0 HB ILE A 79 2.451 -1.774 -25.950 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.851 -1.996 -23.013 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.757 -1.703 -24.350 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.465 -3.906 -25.260 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.691 -2.678 -25.655 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.335 -3.064 -23.955 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.508 -4.014 -23.505 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.123 -4.025 -25.175 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.233 -4.323 -23.817 1.00 0.00 H new ATOM 1250 N ILE A 80 5.604 -0.557 -23.507 1.00 0.00 N ATOM 1251 CA ILE A 80 7.056 -0.496 -23.489 1.00 0.00 C ATOM 1252 C ILE A 80 7.619 -1.905 -23.284 1.00 0.00 C ATOM 1253 O ILE A 80 8.674 -2.240 -23.823 1.00 0.00 O ATOM 1254 CB ILE A 80 7.536 0.515 -22.445 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.583 0.565 -21.250 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.742 1.895 -23.073 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.277 1.151 -20.020 1.00 0.00 C ATOM 0 H ILE A 80 5.171 -0.691 -22.593 1.00 0.00 H new ATOM 0 HA ILE A 80 7.434 -0.137 -24.446 1.00 0.00 H new ATOM 0 HB ILE A 80 8.504 0.184 -22.069 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.710 1.168 -21.501 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.223 -0.439 -21.025 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.083 2.595 -22.310 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.490 1.827 -23.863 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.800 2.248 -23.494 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.577 1.175 -19.185 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.135 0.532 -19.757 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.614 2.164 -20.240 1.00 0.00 H new ATOM 1269 N GLY A 81 6.890 -2.692 -22.507 1.00 0.00 N ATOM 1270 CA GLY A 81 7.304 -4.055 -22.225 1.00 0.00 C ATOM 1271 C GLY A 81 6.195 -4.827 -21.505 1.00 0.00 C ATOM 1272 O GLY A 81 5.012 -4.573 -21.728 1.00 0.00 O ATOM 0 H GLY A 81 6.015 -2.411 -22.064 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.559 -4.561 -23.156 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.204 -4.046 -21.610 1.00 0.00 H new ATOM 1276 N GLU A 82 6.618 -5.752 -20.655 1.00 0.00 N ATOM 1277 CA GLU A 82 5.675 -6.561 -19.901 1.00 0.00 C ATOM 1278 C GLU A 82 6.304 -7.015 -18.581 1.00 0.00 C ATOM 1279 O GLU A 82 7.524 -6.976 -18.425 1.00 0.00 O ATOM 1280 CB GLU A 82 5.201 -7.761 -20.724 1.00 0.00 C ATOM 1281 CG GLU A 82 5.281 -7.464 -22.222 1.00 0.00 C ATOM 1282 CD GLU A 82 4.826 -8.669 -23.046 1.00 0.00 C ATOM 1283 OE1 GLU A 82 3.686 -9.122 -22.808 1.00 0.00 O ATOM 1284 OE2 GLU A 82 5.631 -9.114 -23.894 1.00 0.00 O ATOM 0 H GLU A 82 7.600 -5.959 -20.472 1.00 0.00 H new ATOM 0 HA GLU A 82 4.801 -5.950 -19.674 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.813 -8.632 -20.489 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.175 -8.010 -20.453 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.658 -6.601 -22.459 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.304 -7.202 -22.490 1.00 0.00 H new ATOM 1291 N LEU A 83 5.443 -7.435 -17.666 1.00 0.00 N ATOM 1292 CA LEU A 83 5.898 -7.896 -16.366 1.00 0.00 C ATOM 1293 C LEU A 83 6.589 -9.252 -16.523 1.00 0.00 C ATOM 1294 O LEU A 83 5.965 -10.224 -16.947 1.00 0.00 O ATOM 1295 CB LEU A 83 4.739 -7.907 -15.366 1.00 0.00 C ATOM 1296 CG LEU A 83 5.121 -8.120 -13.900 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.630 -8.327 -13.750 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.611 -6.971 -13.028 1.00 0.00 C ATOM 0 H LEU A 83 4.432 -7.466 -17.800 1.00 0.00 H new ATOM 0 HA LEU A 83 6.637 -7.208 -15.955 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.205 -6.960 -15.448 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.041 -8.692 -15.657 1.00 0.00 H new ATOM 0 HG LEU A 83 4.635 -9.031 -13.550 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.874 -8.476 -12.698 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.936 -9.204 -14.321 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.157 -7.449 -14.124 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.896 -7.147 -11.991 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.048 -6.033 -13.370 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.525 -6.913 -13.101 1.00 0.00 H new ATOM 1310 N HIS A 84 7.866 -9.273 -16.174 1.00 0.00 N ATOM 1311 CA HIS A 84 8.648 -10.493 -16.270 1.00 0.00 C ATOM 1312 C HIS A 84 8.087 -11.541 -15.306 1.00 0.00 C ATOM 1313 O HIS A 84 7.057 -11.318 -14.672 1.00 0.00 O ATOM 1314 CB HIS A 84 10.132 -10.209 -16.035 1.00 0.00 C ATOM 1315 CG HIS A 84 11.034 -10.681 -17.152 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.737 -11.140 -18.402 1.00 0.00 N flip ATOM 1317 CD2 HIS A 84 12.413 -10.714 -17.041 1.00 0.00 C flip ATOM 1318 CE1 HIS A 84 11.873 -11.436 -19.020 1.00 0.00 C flip ATOM 1319 NE2 HIS A 84 12.913 -11.172 -18.178 1.00 0.00 N flip ATOM 0 H HIS A 84 8.379 -8.464 -15.824 1.00 0.00 H new ATOM 0 HA HIS A 84 8.570 -10.898 -17.279 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.269 -9.136 -15.900 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.440 -10.689 -15.106 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.984 -10.417 -16.174 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.960 -11.822 -20.025 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.902 -11.304 -18.388 1.00 0.00 H new ATOM 1328 N PRO A 85 8.807 -12.692 -15.225 1.00 0.00 N ATOM 1329 CA PRO A 85 8.391 -13.775 -14.350 1.00 0.00 C ATOM 1330 C PRO A 85 8.692 -13.442 -12.887 1.00 0.00 C ATOM 1331 O PRO A 85 8.697 -14.329 -12.034 1.00 0.00 O ATOM 1332 CB PRO A 85 9.146 -14.996 -14.849 1.00 0.00 C ATOM 1333 CG PRO A 85 10.301 -14.461 -15.681 1.00 0.00 C ATOM 1334 CD PRO A 85 10.031 -12.991 -15.963 1.00 0.00 C ATOM 0 HA PRO A 85 7.316 -13.950 -14.378 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.510 -15.597 -14.016 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.499 -15.638 -15.446 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.244 -14.580 -15.147 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.390 -15.018 -16.613 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.858 -12.365 -15.629 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.905 -12.809 -17.030 1.00 0.00 H new ATOM 1342 N ASP A 86 8.931 -12.163 -12.642 1.00 0.00 N ATOM 1343 CA ASP A 86 9.232 -11.703 -11.296 1.00 0.00 C ATOM 1344 C ASP A 86 7.923 -11.447 -10.545 1.00 0.00 C ATOM 1345 O ASP A 86 7.881 -11.530 -9.318 1.00 0.00 O ATOM 1346 CB ASP A 86 10.023 -10.393 -11.325 1.00 0.00 C ATOM 1347 CG ASP A 86 9.679 -9.404 -10.210 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.100 -9.672 -9.064 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.001 -8.403 -10.528 1.00 0.00 O ATOM 0 H ASP A 86 8.923 -11.430 -13.352 1.00 0.00 H new ATOM 0 HA ASP A 86 9.826 -12.472 -10.802 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.086 -10.627 -11.267 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.856 -9.906 -12.286 1.00 0.00 H new ATOM 1354 N ASP A 87 6.888 -11.142 -11.313 1.00 0.00 N ATOM 1355 CA ASP A 87 5.581 -10.874 -10.736 1.00 0.00 C ATOM 1356 C ASP A 87 4.506 -11.070 -11.806 1.00 0.00 C ATOM 1357 O ASP A 87 3.748 -10.147 -12.107 1.00 0.00 O ATOM 1358 CB ASP A 87 5.487 -9.434 -10.229 1.00 0.00 C ATOM 1359 CG ASP A 87 5.947 -9.225 -8.786 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.083 -9.351 -7.891 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.154 -8.945 -8.609 1.00 0.00 O ATOM 0 H ASP A 87 6.927 -11.074 -12.330 1.00 0.00 H new ATOM 0 HA ASP A 87 5.434 -11.560 -9.902 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.084 -8.796 -10.881 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.453 -9.101 -10.317 1.00 0.00 H new ATOM 1366 N ARG A 88 4.472 -12.276 -12.353 1.00 0.00 N ATOM 1367 CA ARG A 88 3.502 -12.604 -13.383 1.00 0.00 C ATOM 1368 C ARG A 88 2.134 -12.881 -12.757 1.00 0.00 C ATOM 1369 O ARG A 88 1.372 -11.955 -12.487 1.00 0.00 O ATOM 1370 CB ARG A 88 3.944 -13.830 -14.186 1.00 0.00 C ATOM 1371 CG ARG A 88 5.176 -13.512 -15.039 1.00 0.00 C ATOM 1372 CD ARG A 88 4.788 -12.716 -16.285 1.00 0.00 C ATOM 1373 NE ARG A 88 3.941 -13.543 -17.173 1.00 0.00 N ATOM 1374 CZ ARG A 88 2.602 -13.561 -17.130 1.00 0.00 C ATOM 1375 NH1 ARG A 88 1.949 -12.795 -16.245 1.00 0.00 N ATOM 1376 NH2 ARG A 88 1.915 -14.344 -17.975 1.00 0.00 N ATOM 0 H ARG A 88 5.101 -13.038 -12.102 1.00 0.00 H new ATOM 0 HA ARG A 88 3.431 -11.749 -14.055 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.170 -14.652 -13.507 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.128 -14.162 -14.828 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.895 -12.943 -14.449 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.668 -14.439 -15.334 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.252 -11.812 -15.996 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.685 -12.398 -16.817 1.00 0.00 H new ATOM 0 HE ARG A 88 4.405 -14.136 -17.861 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.471 -12.198 -15.604 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.930 -12.809 -16.213 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.412 -14.925 -18.650 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.896 -14.358 -17.943 1.00 0.00 H new ATOM 1390 N SER A 89 1.866 -14.161 -12.542 1.00 0.00 N ATOM 1391 CA SER A 89 0.602 -14.571 -11.950 1.00 0.00 C ATOM 1392 C SER A 89 0.371 -13.822 -10.637 1.00 0.00 C ATOM 1393 O SER A 89 -0.720 -13.873 -10.073 1.00 0.00 O ATOM 1394 CB SER A 89 0.572 -16.083 -11.712 1.00 0.00 C ATOM 1395 OG SER A 89 -0.759 -16.593 -11.691 1.00 0.00 O ATOM 0 H SER A 89 2.501 -14.927 -12.766 1.00 0.00 H new ATOM 0 HA SER A 89 -0.199 -14.323 -12.647 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.140 -16.585 -12.495 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.063 -16.311 -10.766 1.00 0.00 H new ATOM 0 HG SER A 89 -0.736 -17.561 -11.538 1.00 0.00 H new ATOM 1401 N LYS A 90 1.417 -13.143 -10.188 1.00 0.00 N ATOM 1402 CA LYS A 90 1.342 -12.385 -8.951 1.00 0.00 C ATOM 1403 C LYS A 90 0.376 -11.212 -9.135 1.00 0.00 C ATOM 1404 O LYS A 90 -0.355 -10.855 -8.212 1.00 0.00 O ATOM 1405 CB LYS A 90 2.740 -11.963 -8.494 1.00 0.00 C ATOM 1406 CG LYS A 90 3.037 -12.483 -7.086 1.00 0.00 C ATOM 1407 CD LYS A 90 4.545 -12.610 -6.855 1.00 0.00 C ATOM 1408 CE LYS A 90 4.880 -13.912 -6.125 1.00 0.00 C ATOM 1409 NZ LYS A 90 5.959 -13.689 -5.137 1.00 0.00 N ATOM 0 H LYS A 90 2.321 -13.102 -10.659 1.00 0.00 H new ATOM 0 HA LYS A 90 0.943 -13.006 -8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.485 -12.345 -9.191 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.818 -10.876 -8.508 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.608 -11.807 -6.347 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.561 -13.453 -6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.067 -12.581 -7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.900 -11.760 -6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.991 -14.293 -5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.189 -14.670 -6.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.174 -14.583 -4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.811 -13.347 -5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.651 -12.981 -4.440 1.00 0.00 H new ATOM 1423 N ILE A 91 0.403 -10.647 -10.333 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.462 -9.523 -10.649 1.00 0.00 C ATOM 1425 C ILE A 91 -1.306 -9.866 -11.878 1.00 0.00 C ATOM 1426 O ILE A 91 -2.412 -9.351 -12.039 1.00 0.00 O ATOM 1427 CB ILE A 91 0.361 -8.243 -10.806 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.577 -7.908 -12.283 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.683 -8.342 -10.040 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.222 -6.528 -12.443 1.00 0.00 C ATOM 0 H ILE A 91 1.010 -10.946 -11.096 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.154 -9.331 -9.829 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.202 -7.419 -10.368 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.212 -8.666 -12.743 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.378 -7.930 -12.808 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.248 -7.419 -10.169 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.479 -8.498 -8.981 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.264 -9.180 -10.425 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.365 -6.314 -13.502 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.573 -5.770 -12.004 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.187 -6.517 -11.937 1.00 0.00 H new ATOM 1442 N THR A 92 -0.753 -10.732 -12.715 1.00 0.00 N ATOM 1443 CA THR A 92 -1.443 -11.150 -13.923 1.00 0.00 C ATOM 1444 C THR A 92 -2.957 -11.052 -13.734 1.00 0.00 C ATOM 1445 O THR A 92 -3.663 -10.542 -14.602 1.00 0.00 O ATOM 1446 CB THR A 92 -0.964 -12.559 -14.278 1.00 0.00 C ATOM 1447 OG1 THR A 92 -0.997 -12.588 -15.703 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.962 -13.640 -13.860 1.00 0.00 C ATOM 0 H THR A 92 0.165 -11.155 -12.580 1.00 0.00 H new ATOM 0 HA THR A 92 -1.209 -10.492 -14.760 1.00 0.00 H new ATOM 0 HB THR A 92 -0.004 -12.747 -13.798 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.855 -13.506 -16.015 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.573 -14.620 -14.135 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.112 -13.599 -12.781 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.913 -13.472 -14.365 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.413 -11.550 -12.594 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.831 -11.525 -12.279 1.00 0.00 C ATOM 1458 C LYS A 93 -5.047 -12.091 -10.874 1.00 0.00 C ATOM 1459 O LYS A 93 -5.168 -13.301 -10.700 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.633 -12.248 -13.364 1.00 0.00 C ATOM 1461 CG LYS A 93 -7.063 -11.711 -13.440 1.00 0.00 C ATOM 1462 CD LYS A 93 -7.877 -12.464 -14.493 1.00 0.00 C ATOM 1463 CE LYS A 93 -8.763 -13.529 -13.844 1.00 0.00 C ATOM 1464 NZ LYS A 93 -8.775 -14.763 -14.661 1.00 0.00 N ATOM 0 H LYS A 93 -2.825 -11.974 -11.877 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.202 -10.500 -12.270 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.142 -12.122 -14.329 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.653 -13.317 -13.154 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.544 -11.808 -12.466 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.044 -10.648 -13.682 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.496 -11.761 -15.050 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.204 -12.934 -15.210 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.397 -13.753 -12.842 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.779 -13.148 -13.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.381 -15.475 -14.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.145 -14.548 -15.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.807 -15.134 -14.743 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.092 -11.161 -9.881 1.00 0.00 N ATOM 1479 CA PRO A 94 -5.291 -11.555 -8.497 1.00 0.00 C ATOM 1480 C PRO A 94 -6.749 -11.945 -8.244 1.00 0.00 C ATOM 1481 O PRO A 94 -7.537 -12.057 -9.181 1.00 0.00 O ATOM 1482 CB PRO A 94 -4.846 -10.353 -7.679 1.00 0.00 C ATOM 1483 CG PRO A 94 -4.855 -9.172 -8.636 1.00 0.00 C ATOM 1484 CD PRO A 94 -4.952 -9.719 -10.051 1.00 0.00 C ATOM 0 HA PRO A 94 -4.717 -12.440 -8.223 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.520 -10.181 -6.840 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.851 -10.511 -7.262 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -5.697 -8.514 -8.423 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.949 -8.578 -8.518 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.806 -9.298 -10.581 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.064 -9.473 -10.633 1.00 0.00 H new ATOM 1492 N SER A 95 -7.061 -12.142 -6.971 1.00 0.00 N ATOM 1493 CA SER A 95 -8.411 -12.518 -6.582 1.00 0.00 C ATOM 1494 C SER A 95 -9.245 -11.264 -6.311 1.00 0.00 C ATOM 1495 O SER A 95 -8.701 -10.171 -6.164 1.00 0.00 O ATOM 1496 CB SER A 95 -8.395 -13.422 -5.348 1.00 0.00 C ATOM 1497 OG SER A 95 -7.775 -12.791 -4.230 1.00 0.00 O ATOM 0 H SER A 95 -6.404 -12.049 -6.197 1.00 0.00 H new ATOM 0 HA SER A 95 -8.862 -13.076 -7.403 1.00 0.00 H new ATOM 0 HB2 SER A 95 -9.417 -13.698 -5.088 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.866 -14.346 -5.582 1.00 0.00 H new ATOM 0 HG SER A 95 -7.787 -13.400 -3.463 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.553 -11.465 -6.253 1.00 0.00 N ATOM 1504 CA GLU A 96 -11.469 -10.364 -6.003 1.00 0.00 C ATOM 1505 C GLU A 96 -12.362 -10.679 -4.801 1.00 0.00 C ATOM 1506 O GLU A 96 -12.303 -9.991 -3.783 1.00 0.00 O ATOM 1507 CB GLU A 96 -12.309 -10.057 -7.245 1.00 0.00 C ATOM 1508 CG GLU A 96 -12.838 -8.622 -7.207 1.00 0.00 C ATOM 1509 CD GLU A 96 -12.119 -7.745 -8.234 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -10.977 -7.335 -7.930 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -12.726 -7.504 -9.299 1.00 0.00 O ATOM 0 H GLU A 96 -11.001 -12.373 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.883 -9.474 -5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.706 -10.203 -8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.144 -10.755 -7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -13.909 -8.620 -7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.701 -8.206 -6.209 1.00 0.00 H new ATOM 1518 N SER A 97 -13.167 -11.719 -4.959 1.00 0.00 N ATOM 1519 CA SER A 97 -14.071 -12.134 -3.899 1.00 0.00 C ATOM 1520 C SER A 97 -13.310 -12.249 -2.578 1.00 0.00 C ATOM 1521 O SER A 97 -12.228 -12.833 -2.528 1.00 0.00 O ATOM 1522 CB SER A 97 -14.746 -13.464 -4.241 1.00 0.00 C ATOM 1523 OG SER A 97 -15.974 -13.276 -4.938 1.00 0.00 O ATOM 0 H SER A 97 -13.212 -12.287 -5.805 1.00 0.00 H new ATOM 0 HA SER A 97 -14.850 -11.378 -3.797 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.072 -14.066 -4.850 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.932 -14.023 -3.324 1.00 0.00 H new ATOM 0 HG SER A 97 -16.373 -14.148 -5.139 1.00 0.00 H new ATOM 1529 N ILE A 98 -13.902 -11.681 -1.538 1.00 0.00 N ATOM 1530 CA ILE A 98 -13.295 -11.712 -0.218 1.00 0.00 C ATOM 1531 C ILE A 98 -14.232 -11.040 0.787 1.00 0.00 C ATOM 1532 O ILE A 98 -14.488 -11.582 1.861 1.00 0.00 O ATOM 1533 CB ILE A 98 -11.895 -11.098 -0.261 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -11.280 -11.035 1.139 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -11.916 -9.726 -0.938 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -9.768 -11.255 1.086 1.00 0.00 C ATOM 0 H ILE A 98 -14.798 -11.195 -1.583 1.00 0.00 H new ATOM 0 HA ILE A 98 -13.158 -12.741 0.115 1.00 0.00 H new ATOM 0 HB ILE A 98 -11.259 -11.745 -0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -11.494 -10.066 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.739 -11.792 1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -10.907 -9.313 -0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -12.282 -9.830 -1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -12.573 -9.056 -0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.357 -11.205 2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -9.558 -12.235 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -9.309 -10.482 0.469 1.00 0.00 H new ATOM 1548 N ILE A 99 -14.717 -9.869 0.402 1.00 0.00 N ATOM 1549 CA ILE A 99 -15.621 -9.116 1.257 1.00 0.00 C ATOM 1550 C ILE A 99 -15.058 -9.080 2.680 1.00 0.00 C ATOM 1551 O ILE A 99 -13.876 -9.350 2.891 1.00 0.00 O ATOM 1552 CB ILE A 99 -17.038 -9.686 1.171 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -17.134 -11.029 1.897 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -17.501 -9.785 -0.282 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -18.592 -11.393 2.185 1.00 0.00 C ATOM 0 H ILE A 99 -14.502 -9.423 -0.490 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.696 -8.083 0.917 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.715 -8.998 1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -16.674 -11.809 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -16.576 -10.982 2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.511 -10.193 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -17.495 -8.793 -0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -16.827 -10.439 -0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -18.632 -12.352 2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -19.042 -10.624 2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -19.142 -11.463 1.246 1.00 0.00 H new ATOM 1567 N THR A 100 -15.929 -8.742 3.618 1.00 0.00 N ATOM 1568 CA THR A 100 -15.534 -8.668 5.014 1.00 0.00 C ATOM 1569 C THR A 100 -16.756 -8.423 5.902 1.00 0.00 C ATOM 1570 O THR A 100 -17.741 -7.832 5.459 1.00 0.00 O ATOM 1571 CB THR A 100 -14.461 -7.584 5.145 1.00 0.00 C ATOM 1572 OG1 THR A 100 -13.850 -7.850 6.404 1.00 0.00 O ATOM 1573 CG2 THR A 100 -15.059 -6.186 5.307 1.00 0.00 C ATOM 0 H THR A 100 -16.907 -8.516 3.439 1.00 0.00 H new ATOM 0 HA THR A 100 -15.107 -9.611 5.355 1.00 0.00 H new ATOM 0 HB THR A 100 -13.817 -7.603 4.266 1.00 0.00 H new ATOM 0 HG1 THR A 100 -13.141 -7.194 6.568 1.00 0.00 H new ATOM 0 HG21 THR A 100 -14.256 -5.455 5.396 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.671 -5.949 4.437 1.00 0.00 H new ATOM 0 HG23 THR A 100 -15.677 -6.156 6.204 1.00 0.00 H new ATOM 1581 N THR A 101 -16.653 -8.888 7.138 1.00 0.00 N ATOM 1582 CA THR A 101 -17.737 -8.727 8.092 1.00 0.00 C ATOM 1583 C THR A 101 -17.206 -8.817 9.523 1.00 0.00 C ATOM 1584 O THR A 101 -16.422 -9.710 9.844 1.00 0.00 O ATOM 1585 CB THR A 101 -18.807 -9.773 7.773 1.00 0.00 C ATOM 1586 OG1 THR A 101 -19.786 -9.589 8.792 1.00 0.00 O ATOM 1587 CG2 THR A 101 -18.309 -11.204 7.986 1.00 0.00 C ATOM 0 H THR A 101 -15.835 -9.377 7.501 1.00 0.00 H new ATOM 0 HA THR A 101 -18.193 -7.740 8.010 1.00 0.00 H new ATOM 0 HB THR A 101 -19.135 -9.654 6.740 1.00 0.00 H new ATOM 0 HG1 THR A 101 -20.519 -10.227 8.661 1.00 0.00 H new ATOM 0 HG21 THR A 101 -19.107 -11.907 7.746 1.00 0.00 H new ATOM 0 HG22 THR A 101 -17.453 -11.392 7.338 1.00 0.00 H new ATOM 0 HG23 THR A 101 -18.012 -11.335 9.027 1.00 0.00 H new ATOM 1595 N ILE A 102 -17.653 -7.883 10.348 1.00 0.00 N ATOM 1596 CA ILE A 102 -17.234 -7.846 11.739 1.00 0.00 C ATOM 1597 C ILE A 102 -18.365 -7.271 12.593 1.00 0.00 C ATOM 1598 O ILE A 102 -18.642 -7.774 13.681 1.00 0.00 O ATOM 1599 CB ILE A 102 -15.911 -7.090 11.879 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -16.088 -5.608 11.537 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -14.813 -7.744 11.038 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -16.070 -5.388 10.024 1.00 0.00 C ATOM 0 H ILE A 102 -18.303 -7.144 10.080 1.00 0.00 H new ATOM 0 HA ILE A 102 -17.039 -8.854 12.106 1.00 0.00 H new ATOM 0 HB ILE A 102 -15.595 -7.146 12.921 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -17.030 -5.246 11.949 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -15.292 -5.026 12.002 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -13.884 -7.187 11.156 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -14.664 -8.772 11.369 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -15.108 -7.740 9.989 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -16.198 -4.327 9.809 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.117 -5.728 9.618 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.882 -5.951 9.565 1.00 0.00 H new ATOM 1614 N ASP A 103 -18.987 -6.226 12.070 1.00 0.00 N ATOM 1615 CA ASP A 103 -20.081 -5.577 12.772 1.00 0.00 C ATOM 1616 C ASP A 103 -21.056 -6.641 13.283 1.00 0.00 C ATOM 1617 O ASP A 103 -21.141 -7.732 12.721 1.00 0.00 O ATOM 1618 CB ASP A 103 -20.853 -4.640 11.842 1.00 0.00 C ATOM 1619 CG ASP A 103 -20.607 -3.147 12.079 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -19.975 -2.833 13.110 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -21.057 -2.355 11.223 1.00 0.00 O ATOM 0 H ASP A 103 -18.754 -5.812 11.167 1.00 0.00 H new ATOM 0 HA ASP A 103 -19.658 -5.002 13.596 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -20.590 -4.877 10.811 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -21.919 -4.839 11.953 1.00 0.00 H new ATOM 1626 N SER A 104 -21.763 -6.287 14.346 1.00 0.00 N ATOM 1627 CA SER A 104 -22.727 -7.198 14.939 1.00 0.00 C ATOM 1628 C SER A 104 -24.117 -6.560 14.941 1.00 0.00 C ATOM 1629 O SER A 104 -24.547 -5.994 13.937 1.00 0.00 O ATOM 1630 CB SER A 104 -22.318 -7.581 16.363 1.00 0.00 C ATOM 1631 OG SER A 104 -21.092 -8.308 16.388 1.00 0.00 O ATOM 0 H SER A 104 -21.688 -5.383 14.812 1.00 0.00 H new ATOM 0 HA SER A 104 -22.752 -8.108 14.339 1.00 0.00 H new ATOM 0 HB2 SER A 104 -22.217 -6.679 16.966 1.00 0.00 H new ATOM 0 HB3 SER A 104 -23.106 -8.182 16.817 1.00 0.00 H new ATOM 0 HG SER A 104 -20.864 -8.533 17.314 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -7.991 5.347 -17.640 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.473 7.346 -18.788 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.856 4.902 -20.856 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.631 3.163 -16.486 1.00 0.00 C HETATM 1642 CHD HEM A 105 -8.970 5.940 -14.419 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.569 5.987 -19.434 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.669 6.732 -19.741 1.00 0.00 C HETATM 1645 C2A HEM A 105 -9.826 6.836 -21.204 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.762 6.211 -21.798 1.00 0.00 C HETATM 1647 C4A HEM A 105 -7.977 5.695 -20.701 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.462 6.074 -23.290 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.000 7.482 -21.913 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.280 6.686 -21.712 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.030 5.197 -21.598 1.00 0.00 C HETATM 1652 O1A HEM A 105 -10.954 4.737 -22.026 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.919 4.466 -21.125 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.547 4.295 -18.475 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.189 4.235 -19.832 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.060 3.340 -20.040 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.762 2.801 -18.804 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.660 3.424 -17.858 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.438 2.995 -21.392 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.955 1.691 -18.463 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.671 1.379 -18.849 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.422 4.688 -15.847 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.442 3.745 -15.557 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.356 3.456 -14.108 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.309 4.248 -13.535 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.940 5.029 -14.609 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.391 2.426 -13.472 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.644 4.339 -12.176 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.674 4.364 -11.187 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.452 6.395 -16.770 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.690 6.576 -15.402 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.749 7.524 -15.175 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.129 7.947 -16.395 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.369 7.208 -17.396 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.360 7.935 -13.843 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.089 9.071 -16.690 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.494 8.538 -16.828 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.165 9.024 -18.091 1.00 0.00 C HETATM 1679 O1D HEM A 105 -15.413 9.066 -18.108 1.00 0.00 O HETATM 1680 O2D HEM A 105 -13.450 9.381 -19.058 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.397 6.062 -23.850 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -7.921 5.145 -23.468 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -7.854 6.917 -23.618 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -3.377 2.781 -21.260 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.556 3.838 -22.073 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -4.936 2.120 -21.809 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.128 2.748 -12.464 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -4.487 2.352 -14.077 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -5.877 1.452 -13.426 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.301 7.101 -13.143 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.404 8.211 -13.991 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -10.813 8.787 -13.439 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.198 0.468 -18.483 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.127 2.043 -19.521 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.966 4.435 -10.139 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.619 4.312 -11.457 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -12.955 6.874 -22.547 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -12.783 7.036 -20.810 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -10.784 7.562 -22.978 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.139 8.496 -21.539 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.084 8.844 -15.964 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.469 7.448 -16.827 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -11.794 9.579 -17.608 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.050 9.810 -15.890 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.255 7.993 -19.156 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.464 4.790 -21.856 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.908 2.442 -16.133 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.232 6.172 -13.397 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.422 0.971 -17.791 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.695 4.391 -11.891 1.00 0.00 H new