USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 CYS SG : rot -30:sc= -0.502 USER MOD Set 1.2: A 70 CYS SG : rot -35:sc= -0.504 USER MOD Set 1.3: A 74 TYR OH : rot -130:sc= -3.37! USER MOD Set 1.4: A 83 HIS : no HD1:sc= -3.04! C(o=-9.9!,f=-16!) USER MOD Set 1.5: A 88 HIS : no HD1:sc= -2.48 K(o=-9.9,f=-14!) USER MOD Set 2.1: A 39 CYS SG : rot 173:sc= -0.663 USER MOD Set 2.2: A 42 CYS SG : rot -46:sc= -1.69 USER MOD Set 2.3: A 55 HIS : no HE2:sc= -0.724 K(o=-6.3,f=-9) USER MOD Set 2.4: A 60 HIS : no HD1:sc= -3.22 K(o=-6.3,f=-8.8!) USER MOD Set 3.1: A 17 TYR OH : rot 130:sc= -0.699 USER MOD Set 3.2: A 19 SER OG : rot 120:sc= 0.00825 USER MOD Set 3.3: A 24 ASN : amide:sc= -0.77 K(o=-1.5,f=-3.5) USER MOD Set 4.1: A 12 CYS SG : rot -163:sc= 0.491 USER MOD Set 4.2: A 14 GLN : amide:sc= -0.0537 K(o=-22,f=-23) USER MOD Set 4.3: A 15 CYS SG : rot 180:sc= -3.72! USER MOD Set 4.4: A 28 HIS : no HD1:sc= -18.7! C(o=-22!,f=-29!) USER MOD Set 4.5: A 32 HIS : no HE2:sc= -0.366 K(o=-22,f=-25) USER MOD Set 4.6: A 36 LYS NZ :NH3+ -166:sc= 0.2 (180deg=-0.205) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -54:sc= 0.199 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.14! K(o=-2.1!,f=-1.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -45:sc= 1.05 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 125:sc= -2.06 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.031) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -2.14 K(o=-2.1,f=-9!) USER MOD Single : A 66 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-0.59) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -127:sc= -1.56 (180deg=-2.28) USER MOD Single : A 75 SER OG : rot -49:sc= 0.315 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.85 K(o=-1.8,f=-3!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -28.841 5.674 -36.429 1.00 0.00 N ATOM 67 CA LYS A 8 -27.634 5.921 -37.210 1.00 0.00 C ATOM 68 C LYS A 8 -26.711 4.707 -37.183 1.00 0.00 C ATOM 69 O LYS A 8 -25.790 4.615 -36.371 1.00 0.00 O ATOM 70 CB LYS A 8 -26.896 7.148 -36.671 1.00 0.00 C ATOM 71 CG LYS A 8 -27.752 8.402 -36.625 1.00 0.00 C ATOM 72 CD LYS A 8 -27.145 9.459 -35.719 1.00 0.00 C ATOM 73 CE LYS A 8 -27.641 9.319 -34.288 1.00 0.00 C ATOM 74 NZ LYS A 8 -28.994 9.915 -34.109 1.00 0.00 N ATOM 0 HA LYS A 8 -27.930 6.107 -38.242 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -26.531 6.930 -35.667 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -26.022 7.338 -37.293 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -27.863 8.805 -37.632 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -28.751 8.149 -36.271 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -26.058 9.376 -35.738 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -27.395 10.450 -36.096 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -27.670 8.264 -34.015 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -26.938 9.804 -33.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -29.296 9.799 -33.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -28.961 10.927 -34.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -29.671 9.435 -34.736 1.00 0.00 H new ATOM 88 N PRO A 9 -26.960 3.753 -38.092 1.00 0.00 N ATOM 89 CA PRO A 9 -26.161 2.528 -38.194 1.00 0.00 C ATOM 90 C PRO A 9 -24.754 2.796 -38.718 1.00 0.00 C ATOM 91 O PRO A 9 -23.813 2.069 -38.399 1.00 0.00 O ATOM 92 CB PRO A 9 -26.948 1.673 -39.190 1.00 0.00 C ATOM 93 CG PRO A 9 -27.712 2.654 -40.011 1.00 0.00 C ATOM 94 CD PRO A 9 -28.042 3.796 -39.091 1.00 0.00 C ATOM 0 HA PRO A 9 -26.018 2.053 -37.223 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -26.282 1.072 -39.809 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -27.616 0.981 -38.677 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -27.121 2.996 -40.861 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -28.619 2.203 -40.414 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -28.061 4.748 -39.622 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -29.021 3.670 -38.629 1.00 0.00 H new ATOM 102 N TYR A 10 -24.617 3.845 -39.522 1.00 0.00 N ATOM 103 CA TYR A 10 -23.325 4.208 -40.091 1.00 0.00 C ATOM 104 C TYR A 10 -22.390 4.754 -39.016 1.00 0.00 C ATOM 105 O TYR A 10 -22.506 5.907 -38.602 1.00 0.00 O ATOM 106 CB TYR A 10 -23.506 5.245 -41.200 1.00 0.00 C ATOM 107 CG TYR A 10 -24.306 4.739 -42.379 1.00 0.00 C ATOM 108 CD1 TYR A 10 -25.103 3.606 -42.267 1.00 0.00 C ATOM 109 CD2 TYR A 10 -24.266 5.393 -43.604 1.00 0.00 C ATOM 110 CE1 TYR A 10 -25.836 3.139 -43.341 1.00 0.00 C ATOM 111 CE2 TYR A 10 -24.997 4.934 -44.683 1.00 0.00 C ATOM 112 CZ TYR A 10 -25.780 3.806 -44.546 1.00 0.00 C ATOM 113 OH TYR A 10 -26.508 3.345 -45.619 1.00 0.00 O ATOM 0 H TYR A 10 -25.385 4.459 -39.794 1.00 0.00 H new ATOM 0 HA TYR A 10 -22.877 3.309 -40.513 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -24.001 6.124 -40.787 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -22.525 5.566 -41.549 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -25.150 3.082 -41.324 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -23.653 6.275 -43.715 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -26.449 2.256 -43.237 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -24.956 5.455 -45.628 1.00 0.00 H new ATOM 0 HH TYR A 10 -26.358 3.929 -46.391 1.00 0.00 H new ATOM 123 N LYS A 11 -21.461 3.916 -38.568 1.00 0.00 N ATOM 124 CA LYS A 11 -20.503 4.312 -37.542 1.00 0.00 C ATOM 125 C LYS A 11 -19.220 4.842 -38.173 1.00 0.00 C ATOM 126 O LYS A 11 -18.783 4.358 -39.218 1.00 0.00 O ATOM 127 CB LYS A 11 -20.184 3.126 -36.629 1.00 0.00 C ATOM 128 CG LYS A 11 -20.038 3.508 -35.166 1.00 0.00 C ATOM 129 CD LYS A 11 -21.364 3.949 -34.570 1.00 0.00 C ATOM 130 CE LYS A 11 -22.103 2.782 -33.932 1.00 0.00 C ATOM 131 NZ LYS A 11 -22.952 3.222 -32.790 1.00 0.00 N ATOM 0 H LYS A 11 -21.351 2.958 -38.900 1.00 0.00 H new ATOM 0 HA LYS A 11 -20.951 5.109 -36.948 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -20.974 2.382 -36.725 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -19.261 2.656 -36.967 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -19.650 2.658 -34.604 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -19.309 4.313 -35.070 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -21.189 4.723 -33.823 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -21.985 4.392 -35.349 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -22.726 2.293 -34.681 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -21.382 2.042 -33.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -23.439 2.399 -32.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -22.354 3.666 -32.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -23.656 3.909 -33.126 1.00 0.00 H new ATOM 145 N CYS A 12 -18.618 5.838 -37.531 1.00 0.00 N ATOM 146 CA CYS A 12 -17.384 6.433 -38.027 1.00 0.00 C ATOM 147 C CYS A 12 -16.171 5.620 -37.584 1.00 0.00 C ATOM 148 O CYS A 12 -15.931 5.415 -36.394 1.00 0.00 O ATOM 149 CB CYS A 12 -17.253 7.875 -37.532 1.00 0.00 C ATOM 150 SG CYS A 12 -15.744 8.723 -38.100 1.00 0.00 S ATOM 0 H CYS A 12 -18.966 6.250 -36.665 1.00 0.00 H new ATOM 0 HA CYS A 12 -17.422 6.432 -39.116 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -18.122 8.442 -37.864 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -17.269 7.876 -36.442 1.00 0.00 H new ATOM 0 HG CYS A 12 -15.533 9.773 -37.363 1.00 0.00 H new ATOM 155 N PRO A 13 -15.387 5.146 -38.564 1.00 0.00 N ATOM 156 CA PRO A 13 -14.185 4.349 -38.300 1.00 0.00 C ATOM 157 C PRO A 13 -13.068 5.175 -37.672 1.00 0.00 C ATOM 158 O PRO A 13 -11.980 4.663 -37.406 1.00 0.00 O ATOM 159 CB PRO A 13 -13.771 3.860 -39.691 1.00 0.00 C ATOM 160 CG PRO A 13 -14.332 4.872 -40.630 1.00 0.00 C ATOM 161 CD PRO A 13 -15.612 5.353 -40.004 1.00 0.00 C ATOM 0 HA PRO A 13 -14.377 3.545 -37.590 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -12.687 3.794 -39.781 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -14.169 2.866 -39.896 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.635 5.697 -40.776 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -14.518 4.434 -41.611 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -15.803 6.401 -40.234 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -16.472 4.787 -40.362 1.00 0.00 H new ATOM 169 N GLN A 14 -13.344 6.453 -37.436 1.00 0.00 N ATOM 170 CA GLN A 14 -12.361 7.349 -36.839 1.00 0.00 C ATOM 171 C GLN A 14 -12.786 7.765 -35.434 1.00 0.00 C ATOM 172 O GLN A 14 -11.948 7.967 -34.555 1.00 0.00 O ATOM 173 CB GLN A 14 -12.170 8.589 -37.715 1.00 0.00 C ATOM 174 CG GLN A 14 -11.816 8.265 -39.157 1.00 0.00 C ATOM 175 CD GLN A 14 -11.121 9.415 -39.859 1.00 0.00 C ATOM 176 OE1 GLN A 14 -11.721 10.112 -40.677 1.00 0.00 O ATOM 177 NE2 GLN A 14 -9.847 9.619 -39.542 1.00 0.00 N ATOM 0 H GLN A 14 -14.240 6.891 -37.649 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.414 6.813 -36.769 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -13.086 9.180 -37.698 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -11.382 9.209 -37.286 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -11.171 7.387 -39.180 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.725 8.008 -39.701 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.389 9.017 -38.858 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.327 10.378 -39.982 1.00 0.00 H new ATOM 186 N CYS A 15 -14.093 7.891 -35.230 1.00 0.00 N ATOM 187 CA CYS A 15 -14.630 8.284 -33.933 1.00 0.00 C ATOM 188 C CYS A 15 -15.970 7.603 -33.671 1.00 0.00 C ATOM 189 O CYS A 15 -16.418 6.768 -34.456 1.00 0.00 O ATOM 190 CB CYS A 15 -14.796 9.804 -33.865 1.00 0.00 C ATOM 191 SG CYS A 15 -16.351 10.415 -34.591 1.00 0.00 S ATOM 0 H CYS A 15 -14.800 7.727 -35.947 1.00 0.00 H new ATOM 0 HA CYS A 15 -13.925 7.968 -33.165 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -14.746 10.118 -32.822 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -13.958 10.274 -34.380 1.00 0.00 H new ATOM 0 HG CYS A 15 -16.400 11.710 -34.485 1.00 0.00 H new ATOM 196 N SER A 16 -16.605 7.966 -32.561 1.00 0.00 N ATOM 197 CA SER A 16 -17.892 7.388 -32.192 1.00 0.00 C ATOM 198 C SER A 16 -19.039 8.157 -32.841 1.00 0.00 C ATOM 199 O SER A 16 -20.106 8.319 -32.249 1.00 0.00 O ATOM 200 CB SER A 16 -18.059 7.388 -30.671 1.00 0.00 C ATOM 201 OG SER A 16 -19.119 6.536 -30.274 1.00 0.00 O ATOM 0 H SER A 16 -16.249 8.658 -31.901 1.00 0.00 H new ATOM 0 HA SER A 16 -17.917 6.360 -32.553 1.00 0.00 H new ATOM 0 HB2 SER A 16 -17.131 7.063 -30.200 1.00 0.00 H new ATOM 0 HB3 SER A 16 -18.254 8.403 -30.324 1.00 0.00 H new ATOM 0 HG SER A 16 -19.938 6.789 -30.749 1.00 0.00 H new ATOM 207 N TYR A 17 -18.810 8.629 -34.061 1.00 0.00 N ATOM 208 CA TYR A 17 -19.822 9.384 -34.791 1.00 0.00 C ATOM 209 C TYR A 17 -20.766 8.447 -35.539 1.00 0.00 C ATOM 210 O TYR A 17 -20.395 7.330 -35.898 1.00 0.00 O ATOM 211 CB TYR A 17 -19.158 10.349 -35.775 1.00 0.00 C ATOM 212 CG TYR A 17 -20.120 10.956 -36.770 1.00 0.00 C ATOM 213 CD1 TYR A 17 -20.835 12.107 -36.462 1.00 0.00 C ATOM 214 CD2 TYR A 17 -20.316 10.379 -38.019 1.00 0.00 C ATOM 215 CE1 TYR A 17 -21.716 12.665 -37.367 1.00 0.00 C ATOM 216 CE2 TYR A 17 -21.194 10.931 -38.931 1.00 0.00 C ATOM 217 CZ TYR A 17 -21.892 12.074 -38.601 1.00 0.00 C ATOM 218 OH TYR A 17 -22.768 12.626 -39.507 1.00 0.00 O ATOM 0 H TYR A 17 -17.933 8.502 -34.566 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.404 9.956 -34.068 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -18.674 11.150 -35.215 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -18.374 9.820 -36.317 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -20.699 12.573 -35.497 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -19.772 9.483 -38.281 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -22.264 13.559 -37.110 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -21.333 10.470 -39.898 1.00 0.00 H new ATOM 0 HH TYR A 17 -22.323 12.724 -40.375 1.00 0.00 H new ATOM 228 N ALA A 18 -21.989 8.912 -35.771 1.00 0.00 N ATOM 229 CA ALA A 18 -22.987 8.119 -36.478 1.00 0.00 C ATOM 230 C ALA A 18 -23.920 9.009 -37.291 1.00 0.00 C ATOM 231 O ALA A 18 -24.146 10.168 -36.945 1.00 0.00 O ATOM 232 CB ALA A 18 -23.784 7.274 -35.494 1.00 0.00 C ATOM 0 H ALA A 18 -22.313 9.834 -35.479 1.00 0.00 H new ATOM 0 HA ALA A 18 -22.466 7.457 -37.169 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -24.526 6.687 -36.036 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -23.110 6.604 -34.961 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -24.288 7.925 -34.780 1.00 0.00 H new ATOM 238 N SER A 19 -24.459 8.459 -38.375 1.00 0.00 N ATOM 239 CA SER A 19 -25.365 9.205 -39.240 1.00 0.00 C ATOM 240 C SER A 19 -26.020 8.283 -40.264 1.00 0.00 C ATOM 241 O SER A 19 -25.342 7.676 -41.093 1.00 0.00 O ATOM 242 CB SER A 19 -24.611 10.327 -39.956 1.00 0.00 C ATOM 243 OG SER A 19 -25.452 11.447 -40.175 1.00 0.00 O ATOM 0 H SER A 19 -24.284 7.500 -38.675 1.00 0.00 H new ATOM 0 HA SER A 19 -26.146 9.641 -38.617 1.00 0.00 H new ATOM 0 HB2 SER A 19 -23.748 10.627 -39.361 1.00 0.00 H new ATOM 0 HB3 SER A 19 -24.230 9.962 -40.910 1.00 0.00 H new ATOM 0 HG SER A 19 -25.077 12.231 -39.722 1.00 0.00 H new ATOM 249 N ALA A 20 -27.344 8.184 -40.201 1.00 0.00 N ATOM 250 CA ALA A 20 -28.092 7.339 -41.123 1.00 0.00 C ATOM 251 C ALA A 20 -28.127 7.947 -42.520 1.00 0.00 C ATOM 252 O ALA A 20 -29.185 8.036 -43.143 1.00 0.00 O ATOM 253 CB ALA A 20 -29.506 7.117 -40.606 1.00 0.00 C ATOM 0 H ALA A 20 -27.921 8.679 -39.521 1.00 0.00 H new ATOM 0 HA ALA A 20 -27.585 6.376 -41.187 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -30.054 6.484 -41.304 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -29.465 6.631 -39.631 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -30.014 8.077 -40.511 1.00 0.00 H new ATOM 259 N ILE A 21 -26.963 8.364 -43.008 1.00 0.00 N ATOM 260 CA ILE A 21 -26.861 8.964 -44.332 1.00 0.00 C ATOM 261 C ILE A 21 -25.455 8.805 -44.901 1.00 0.00 C ATOM 262 O ILE A 21 -24.491 9.356 -44.368 1.00 0.00 O ATOM 263 CB ILE A 21 -27.224 10.460 -44.303 1.00 0.00 C ATOM 264 CG1 ILE A 21 -28.656 10.650 -43.797 1.00 0.00 C ATOM 265 CG2 ILE A 21 -27.060 11.073 -45.685 1.00 0.00 C ATOM 266 CD1 ILE A 21 -29.050 12.101 -43.630 1.00 0.00 C ATOM 0 H ILE A 21 -26.078 8.297 -42.506 1.00 0.00 H new ATOM 0 HA ILE A 21 -27.571 8.439 -44.971 1.00 0.00 H new ATOM 0 HB ILE A 21 -26.545 10.969 -43.619 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -29.345 10.173 -44.493 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -28.765 10.140 -42.840 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -27.321 12.131 -45.647 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -26.025 10.966 -46.010 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -27.717 10.563 -46.390 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -30.077 12.160 -43.269 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -28.384 12.578 -42.911 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -28.973 12.612 -44.590 1.00 0.00 H new ATOM 278 N LYS A 22 -25.344 8.048 -45.988 1.00 0.00 N ATOM 279 CA LYS A 22 -24.057 7.818 -46.632 1.00 0.00 C ATOM 280 C LYS A 22 -23.287 9.125 -46.793 1.00 0.00 C ATOM 281 O LYS A 22 -22.191 9.281 -46.256 1.00 0.00 O ATOM 282 CB LYS A 22 -24.258 7.161 -48.000 1.00 0.00 C ATOM 283 CG LYS A 22 -22.959 6.833 -48.714 1.00 0.00 C ATOM 284 CD LYS A 22 -22.221 5.692 -48.034 1.00 0.00 C ATOM 285 CE LYS A 22 -22.663 4.341 -48.575 1.00 0.00 C ATOM 286 NZ LYS A 22 -21.737 3.249 -48.165 1.00 0.00 N ATOM 0 H LYS A 22 -26.131 7.583 -46.441 1.00 0.00 H new ATOM 0 HA LYS A 22 -23.476 7.150 -45.996 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -24.834 6.244 -47.872 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -24.851 7.825 -48.629 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -23.170 6.565 -49.749 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -22.322 7.717 -48.737 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -21.148 5.811 -48.183 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -22.400 5.731 -46.959 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -23.668 4.118 -48.217 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -22.714 4.385 -49.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -22.073 2.345 -48.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.783 3.449 -48.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -21.708 3.190 -47.127 1.00 0.00 H new ATOM 300 N ALA A 23 -23.869 10.062 -47.535 1.00 0.00 N ATOM 301 CA ALA A 23 -23.239 11.356 -47.763 1.00 0.00 C ATOM 302 C ALA A 23 -22.688 11.935 -46.464 1.00 0.00 C ATOM 303 O ALA A 23 -21.545 12.386 -46.411 1.00 0.00 O ATOM 304 CB ALA A 23 -24.232 12.322 -48.393 1.00 0.00 C ATOM 0 H ALA A 23 -24.776 9.949 -47.988 1.00 0.00 H new ATOM 0 HA ALA A 23 -22.404 11.210 -48.449 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -23.748 13.285 -48.558 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -24.575 11.920 -49.346 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -25.084 12.454 -47.727 1.00 0.00 H new ATOM 310 N ASN A 24 -23.509 11.918 -45.419 1.00 0.00 N ATOM 311 CA ASN A 24 -23.103 12.443 -44.120 1.00 0.00 C ATOM 312 C ASN A 24 -21.780 11.827 -43.674 1.00 0.00 C ATOM 313 O ASN A 24 -20.758 12.510 -43.599 1.00 0.00 O ATOM 314 CB ASN A 24 -24.185 12.167 -43.074 1.00 0.00 C ATOM 315 CG ASN A 24 -25.284 13.212 -43.090 1.00 0.00 C ATOM 316 OD1 ASN A 24 -25.950 13.414 -44.106 1.00 0.00 O ATOM 317 ND2 ASN A 24 -25.479 13.883 -41.961 1.00 0.00 N ATOM 0 H ASN A 24 -24.459 11.547 -45.446 1.00 0.00 H new ATOM 0 HA ASN A 24 -22.968 13.520 -44.217 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.619 11.184 -43.255 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -23.730 12.137 -42.084 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -26.204 14.599 -41.912 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.904 13.683 -41.143 1.00 0.00 H new ATOM 324 N LEU A 25 -21.807 10.532 -43.379 1.00 0.00 N ATOM 325 CA LEU A 25 -20.610 9.822 -42.940 1.00 0.00 C ATOM 326 C LEU A 25 -19.383 10.295 -43.713 1.00 0.00 C ATOM 327 O LEU A 25 -18.306 10.467 -43.142 1.00 0.00 O ATOM 328 CB LEU A 25 -20.792 8.314 -43.123 1.00 0.00 C ATOM 329 CG LEU A 25 -19.726 7.427 -42.479 1.00 0.00 C ATOM 330 CD1 LEU A 25 -19.601 7.735 -40.995 1.00 0.00 C ATOM 331 CD2 LEU A 25 -20.055 5.957 -42.695 1.00 0.00 C ATOM 0 H LEU A 25 -22.644 9.952 -43.436 1.00 0.00 H new ATOM 0 HA LEU A 25 -20.456 10.038 -41.883 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -21.764 8.033 -42.717 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -20.819 8.098 -44.191 1.00 0.00 H new ATOM 0 HG LEU A 25 -18.768 7.638 -42.955 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -18.838 7.094 -40.553 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -19.319 8.779 -40.863 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -20.557 7.552 -40.504 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.286 5.340 -42.230 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -21.022 5.731 -42.246 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -20.093 5.746 -43.764 1.00 0.00 H new ATOM 343 N ASN A 26 -19.554 10.507 -45.014 1.00 0.00 N ATOM 344 CA ASN A 26 -18.460 10.963 -45.864 1.00 0.00 C ATOM 345 C ASN A 26 -17.992 12.354 -45.449 1.00 0.00 C ATOM 346 O ASN A 26 -16.810 12.568 -45.180 1.00 0.00 O ATOM 347 CB ASN A 26 -18.898 10.976 -47.330 1.00 0.00 C ATOM 348 CG ASN A 26 -19.143 9.581 -47.873 1.00 0.00 C ATOM 349 OD1 ASN A 26 -18.208 8.881 -48.261 1.00 0.00 O ATOM 350 ND2 ASN A 26 -20.406 9.171 -47.903 1.00 0.00 N ATOM 0 H ASN A 26 -20.439 10.370 -45.502 1.00 0.00 H new ATOM 0 HA ASN A 26 -17.628 10.269 -45.746 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -19.809 11.567 -47.429 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -18.133 11.467 -47.931 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -20.632 8.242 -48.258 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -21.150 9.785 -47.571 1.00 0.00 H new ATOM 357 N VAL A 27 -18.927 13.297 -45.398 1.00 0.00 N ATOM 358 CA VAL A 27 -18.611 14.667 -45.015 1.00 0.00 C ATOM 359 C VAL A 27 -18.051 14.726 -43.598 1.00 0.00 C ATOM 360 O VAL A 27 -17.155 15.518 -43.306 1.00 0.00 O ATOM 361 CB VAL A 27 -19.853 15.575 -45.102 1.00 0.00 C ATOM 362 CG1 VAL A 27 -20.546 15.663 -43.751 1.00 0.00 C ATOM 363 CG2 VAL A 27 -19.467 16.958 -45.603 1.00 0.00 C ATOM 0 H VAL A 27 -19.910 13.137 -45.617 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.858 15.026 -45.716 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.552 15.137 -45.814 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -21.421 16.308 -43.832 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -20.858 14.667 -43.436 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -19.857 16.077 -43.015 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -20.356 17.586 -45.658 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -18.748 17.406 -44.917 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -19.020 16.874 -46.593 1.00 0.00 H new ATOM 373 N HIS A 28 -18.584 13.882 -42.721 1.00 0.00 N ATOM 374 CA HIS A 28 -18.136 13.836 -41.334 1.00 0.00 C ATOM 375 C HIS A 28 -16.693 13.349 -41.244 1.00 0.00 C ATOM 376 O HIS A 28 -15.950 13.740 -40.343 1.00 0.00 O ATOM 377 CB HIS A 28 -19.047 12.924 -40.511 1.00 0.00 C ATOM 378 CG HIS A 28 -18.518 12.626 -39.142 1.00 0.00 C ATOM 379 ND1 HIS A 28 -18.775 13.422 -38.046 1.00 0.00 N ATOM 380 CD2 HIS A 28 -17.742 11.611 -38.694 1.00 0.00 C ATOM 381 CE1 HIS A 28 -18.180 12.911 -36.983 1.00 0.00 C ATOM 382 NE2 HIS A 28 -17.547 11.811 -37.349 1.00 0.00 N ATOM 0 H HIS A 28 -19.327 13.220 -42.946 1.00 0.00 H new ATOM 0 HA HIS A 28 -18.185 14.847 -40.929 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.027 13.391 -40.419 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -19.190 11.986 -41.048 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -17.349 10.796 -39.284 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -18.207 13.323 -35.985 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -17.002 11.208 -36.733 1.00 0.00 H new ATOM 390 N LEU A 29 -16.303 12.494 -42.183 1.00 0.00 N ATOM 391 CA LEU A 29 -14.949 11.953 -42.211 1.00 0.00 C ATOM 392 C LEU A 29 -13.956 12.996 -42.712 1.00 0.00 C ATOM 393 O LEU A 29 -12.770 12.947 -42.384 1.00 0.00 O ATOM 394 CB LEU A 29 -14.893 10.710 -43.100 1.00 0.00 C ATOM 395 CG LEU A 29 -15.641 9.480 -42.583 1.00 0.00 C ATOM 396 CD1 LEU A 29 -16.089 8.602 -43.740 1.00 0.00 C ATOM 397 CD2 LEU A 29 -14.767 8.691 -41.619 1.00 0.00 C ATOM 0 H LEU A 29 -16.906 12.160 -42.935 1.00 0.00 H new ATOM 0 HA LEU A 29 -14.674 11.676 -41.193 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.295 10.970 -44.079 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.847 10.439 -43.246 1.00 0.00 H new ATOM 0 HG LEU A 29 -16.528 9.817 -42.046 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -16.619 7.732 -43.353 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -16.752 9.170 -44.392 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -15.217 8.273 -44.306 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -15.315 7.819 -41.261 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -13.862 8.365 -42.132 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.497 9.323 -40.773 1.00 0.00 H new ATOM 409 N ARG A 30 -14.448 13.940 -43.508 1.00 0.00 N ATOM 410 CA ARG A 30 -13.604 14.995 -44.055 1.00 0.00 C ATOM 411 C ARG A 30 -13.085 15.905 -42.945 1.00 0.00 C ATOM 412 O ARG A 30 -11.925 16.319 -42.958 1.00 0.00 O ATOM 413 CB ARG A 30 -14.381 15.819 -45.083 1.00 0.00 C ATOM 414 CG ARG A 30 -14.922 14.995 -46.240 1.00 0.00 C ATOM 415 CD ARG A 30 -15.888 15.802 -47.094 1.00 0.00 C ATOM 416 NE ARG A 30 -15.191 16.661 -48.047 1.00 0.00 N ATOM 417 CZ ARG A 30 -14.756 16.244 -49.231 1.00 0.00 C ATOM 418 NH1 ARG A 30 -14.947 14.987 -49.606 1.00 0.00 N ATOM 419 NH2 ARG A 30 -14.130 17.086 -50.043 1.00 0.00 N ATOM 0 H ARG A 30 -15.427 13.995 -43.788 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.752 14.526 -44.546 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.212 16.318 -44.584 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.731 16.600 -45.477 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.095 14.645 -46.857 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -15.428 14.111 -45.853 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -16.548 15.123 -47.634 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.518 16.414 -46.448 1.00 0.00 H new ATOM 0 HE ARG A 30 -15.029 17.635 -47.790 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.429 14.337 -48.985 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.612 14.670 -50.516 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.982 18.054 -49.758 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.796 16.765 -50.952 1.00 0.00 H new ATOM 433 N LYS A 31 -13.951 16.214 -41.987 1.00 0.00 N ATOM 434 CA LYS A 31 -13.582 17.074 -40.869 1.00 0.00 C ATOM 435 C LYS A 31 -12.469 16.441 -40.040 1.00 0.00 C ATOM 436 O LYS A 31 -11.683 17.141 -39.401 1.00 0.00 O ATOM 437 CB LYS A 31 -14.801 17.346 -39.983 1.00 0.00 C ATOM 438 CG LYS A 31 -14.924 16.391 -38.809 1.00 0.00 C ATOM 439 CD LYS A 31 -16.030 16.816 -37.858 1.00 0.00 C ATOM 440 CE LYS A 31 -17.404 16.641 -38.486 1.00 0.00 C ATOM 441 NZ LYS A 31 -18.496 17.033 -37.552 1.00 0.00 N ATOM 0 H LYS A 31 -14.915 15.881 -41.962 1.00 0.00 H new ATOM 0 HA LYS A 31 -13.217 18.018 -41.274 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.745 18.367 -39.606 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -15.703 17.280 -40.591 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.126 15.385 -39.177 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.977 16.350 -38.272 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.970 16.228 -36.942 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.888 17.859 -37.576 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.468 17.243 -39.392 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -17.537 15.601 -38.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.416 16.899 -38.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.451 16.442 -36.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.384 18.033 -37.287 1.00 0.00 H new ATOM 455 N HIS A 32 -12.408 15.113 -40.055 1.00 0.00 N ATOM 456 CA HIS A 32 -11.389 14.387 -39.306 1.00 0.00 C ATOM 457 C HIS A 32 -9.996 14.683 -39.854 1.00 0.00 C ATOM 458 O HIS A 32 -9.019 14.727 -39.107 1.00 0.00 O ATOM 459 CB HIS A 32 -11.662 12.883 -39.360 1.00 0.00 C ATOM 460 CG HIS A 32 -12.583 12.402 -38.282 1.00 0.00 C ATOM 461 ND1 HIS A 32 -12.357 12.634 -36.941 1.00 0.00 N ATOM 462 CD2 HIS A 32 -13.738 11.700 -38.352 1.00 0.00 C ATOM 463 CE1 HIS A 32 -13.333 12.093 -36.233 1.00 0.00 C ATOM 464 NE2 HIS A 32 -14.184 11.521 -37.065 1.00 0.00 N ATOM 0 H HIS A 32 -13.052 14.519 -40.577 1.00 0.00 H new ATOM 0 HA HIS A 32 -11.430 14.720 -38.269 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.091 12.635 -40.331 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.716 12.347 -39.284 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -11.561 13.143 -36.556 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -14.219 11.346 -39.252 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.420 12.115 -35.157 1.00 0.00 H new ATOM 508 N LYS A 36 -3.810 14.495 -36.297 1.00 0.00 N ATOM 509 CA LYS A 36 -4.433 13.502 -35.430 1.00 0.00 C ATOM 510 C LYS A 36 -3.421 12.928 -34.444 1.00 0.00 C ATOM 511 O LYS A 36 -2.605 12.078 -34.801 1.00 0.00 O ATOM 512 CB LYS A 36 -5.042 12.374 -36.267 1.00 0.00 C ATOM 513 CG LYS A 36 -6.295 12.785 -37.021 1.00 0.00 C ATOM 514 CD LYS A 36 -7.250 11.616 -37.193 1.00 0.00 C ATOM 515 CE LYS A 36 -8.698 12.081 -37.230 1.00 0.00 C ATOM 516 NZ LYS A 36 -9.630 11.033 -36.729 1.00 0.00 N ATOM 0 HA LYS A 36 -5.224 13.995 -34.865 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.298 12.020 -36.981 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.280 11.535 -35.613 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.797 13.590 -36.484 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.020 13.178 -38.000 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.014 11.084 -38.115 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.114 10.910 -36.374 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.806 12.982 -36.626 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.968 12.348 -38.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.606 11.285 -36.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.385 10.117 -37.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.551 10.964 -35.694 1.00 0.00 H new ATOM 530 N PHE A 37 -3.481 13.396 -33.201 1.00 0.00 N ATOM 531 CA PHE A 37 -2.570 12.929 -32.163 1.00 0.00 C ATOM 532 C PHE A 37 -3.149 11.719 -31.436 1.00 0.00 C ATOM 533 O PHE A 37 -3.894 11.862 -30.467 1.00 0.00 O ATOM 534 CB PHE A 37 -2.284 14.051 -31.163 1.00 0.00 C ATOM 535 CG PHE A 37 -1.955 15.364 -31.814 1.00 0.00 C ATOM 536 CD1 PHE A 37 -0.661 15.644 -32.225 1.00 0.00 C ATOM 537 CD2 PHE A 37 -2.939 16.318 -32.015 1.00 0.00 C ATOM 538 CE1 PHE A 37 -0.356 16.852 -32.823 1.00 0.00 C ATOM 539 CE2 PHE A 37 -2.640 17.528 -32.613 1.00 0.00 C ATOM 540 CZ PHE A 37 -1.347 17.795 -33.018 1.00 0.00 C ATOM 0 H PHE A 37 -4.151 14.098 -32.889 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.636 12.631 -32.641 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.153 14.182 -30.518 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.453 13.754 -30.523 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.117 14.910 -32.076 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.952 16.114 -31.701 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.656 17.059 -33.138 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.416 18.263 -32.763 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.111 18.739 -33.486 1.00 0.00 H new ATOM 550 N ALA A 38 -2.801 10.528 -31.911 1.00 0.00 N ATOM 551 CA ALA A 38 -3.284 9.293 -31.306 1.00 0.00 C ATOM 552 C ALA A 38 -2.620 9.047 -29.955 1.00 0.00 C ATOM 553 O ALA A 38 -1.481 9.456 -29.728 1.00 0.00 O ATOM 554 CB ALA A 38 -3.039 8.116 -32.239 1.00 0.00 C ATOM 0 H ALA A 38 -2.186 10.392 -32.713 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.357 9.394 -31.141 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.405 7.201 -31.774 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.566 8.281 -33.179 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.971 8.022 -32.434 1.00 0.00 H new ATOM 560 N CYS A 39 -3.339 8.377 -29.061 1.00 0.00 N ATOM 561 CA CYS A 39 -2.821 8.077 -27.732 1.00 0.00 C ATOM 562 C CYS A 39 -1.694 7.050 -27.806 1.00 0.00 C ATOM 563 O CYS A 39 -1.794 6.055 -28.524 1.00 0.00 O ATOM 564 CB CYS A 39 -3.942 7.556 -26.830 1.00 0.00 C ATOM 565 SG CYS A 39 -3.415 7.192 -25.124 1.00 0.00 S ATOM 0 H CYS A 39 -4.283 8.031 -29.233 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.422 8.999 -27.309 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.744 8.294 -26.802 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.358 6.650 -27.272 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.456 6.901 -24.401 1.00 0.00 H new ATOM 570 N ASP A 40 -0.624 7.299 -27.059 1.00 0.00 N ATOM 571 CA ASP A 40 0.521 6.397 -27.039 1.00 0.00 C ATOM 572 C ASP A 40 0.284 5.240 -26.073 1.00 0.00 C ATOM 573 O ASP A 40 1.225 4.567 -25.652 1.00 0.00 O ATOM 574 CB ASP A 40 1.789 7.156 -26.644 1.00 0.00 C ATOM 575 CG ASP A 40 2.534 7.702 -27.845 1.00 0.00 C ATOM 576 OD1 ASP A 40 2.170 8.797 -28.322 1.00 0.00 O ATOM 577 OD2 ASP A 40 3.483 7.035 -28.308 1.00 0.00 O ATOM 0 H ASP A 40 -0.526 8.118 -26.459 1.00 0.00 H new ATOM 0 HA ASP A 40 0.649 5.989 -28.042 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.525 7.978 -25.979 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.447 6.492 -26.083 1.00 0.00 H new ATOM 582 N TYR A 41 -0.978 5.016 -25.725 1.00 0.00 N ATOM 583 CA TYR A 41 -1.339 3.943 -24.806 1.00 0.00 C ATOM 584 C TYR A 41 -2.419 3.050 -25.408 1.00 0.00 C ATOM 585 O TYR A 41 -2.440 1.840 -25.180 1.00 0.00 O ATOM 586 CB TYR A 41 -1.824 4.523 -23.476 1.00 0.00 C ATOM 587 CG TYR A 41 -0.797 5.391 -22.784 1.00 0.00 C ATOM 588 CD1 TYR A 41 -0.329 6.557 -23.377 1.00 0.00 C ATOM 589 CD2 TYR A 41 -0.295 5.045 -21.535 1.00 0.00 C ATOM 590 CE1 TYR A 41 0.609 7.352 -22.749 1.00 0.00 C ATOM 591 CE2 TYR A 41 0.643 5.834 -20.898 1.00 0.00 C ATOM 592 CZ TYR A 41 1.092 6.987 -21.509 1.00 0.00 C ATOM 593 OH TYR A 41 2.026 7.776 -20.879 1.00 0.00 O ATOM 0 H TYR A 41 -1.769 5.563 -26.065 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.450 3.338 -24.628 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.725 5.111 -23.652 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.102 3.705 -22.812 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.706 6.847 -24.347 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.644 4.143 -21.054 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.963 8.254 -23.226 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.023 5.550 -19.928 1.00 0.00 H new ATOM 0 HH TYR A 41 2.260 7.379 -20.014 1.00 0.00 H new ATOM 603 N CYS A 42 -3.316 3.655 -26.179 1.00 0.00 N ATOM 604 CA CYS A 42 -4.401 2.918 -26.815 1.00 0.00 C ATOM 605 C CYS A 42 -4.658 3.438 -28.226 1.00 0.00 C ATOM 606 O CYS A 42 -3.955 4.326 -28.709 1.00 0.00 O ATOM 607 CB CYS A 42 -5.678 3.025 -25.980 1.00 0.00 C ATOM 608 SG CYS A 42 -6.362 4.711 -25.881 1.00 0.00 S ATOM 0 H CYS A 42 -3.313 4.655 -26.379 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.105 1.871 -26.881 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.433 2.362 -26.403 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.471 2.669 -24.971 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.405 5.554 -25.629 1.00 0.00 H new ATOM 613 N SER A 43 -5.669 2.878 -28.883 1.00 0.00 N ATOM 614 CA SER A 43 -6.017 3.282 -30.240 1.00 0.00 C ATOM 615 C SER A 43 -6.931 4.504 -30.225 1.00 0.00 C ATOM 616 O SER A 43 -7.841 4.622 -31.046 1.00 0.00 O ATOM 617 CB SER A 43 -6.699 2.130 -30.979 1.00 0.00 C ATOM 618 OG SER A 43 -7.038 2.502 -32.303 1.00 0.00 O ATOM 0 H SER A 43 -6.262 2.143 -28.497 1.00 0.00 H new ATOM 0 HA SER A 43 -5.097 3.544 -30.762 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.037 1.265 -31.000 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.598 1.830 -30.441 1.00 0.00 H new ATOM 0 HG SER A 43 -7.444 3.394 -32.298 1.00 0.00 H new ATOM 624 N PHE A 44 -6.681 5.410 -29.286 1.00 0.00 N ATOM 625 CA PHE A 44 -7.481 6.623 -29.162 1.00 0.00 C ATOM 626 C PHE A 44 -6.883 7.756 -29.991 1.00 0.00 C ATOM 627 O PHE A 44 -5.693 7.748 -30.309 1.00 0.00 O ATOM 628 CB PHE A 44 -7.581 7.047 -27.696 1.00 0.00 C ATOM 629 CG PHE A 44 -8.105 8.442 -27.509 1.00 0.00 C ATOM 630 CD1 PHE A 44 -7.252 9.531 -27.577 1.00 0.00 C ATOM 631 CD2 PHE A 44 -9.451 8.663 -27.264 1.00 0.00 C ATOM 632 CE1 PHE A 44 -7.731 10.817 -27.406 1.00 0.00 C ATOM 633 CE2 PHE A 44 -9.936 9.946 -27.092 1.00 0.00 C ATOM 634 CZ PHE A 44 -9.075 11.024 -27.162 1.00 0.00 C ATOM 0 H PHE A 44 -5.931 5.327 -28.600 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.481 6.408 -29.539 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.231 6.350 -27.168 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.595 6.973 -27.237 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.200 9.374 -27.766 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -10.128 7.824 -27.207 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.056 11.658 -27.463 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -10.987 10.105 -26.903 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.452 12.027 -27.026 1.00 0.00 H new ATOM 644 N THR A 45 -7.717 8.731 -30.339 1.00 0.00 N ATOM 645 CA THR A 45 -7.273 9.871 -31.132 1.00 0.00 C ATOM 646 C THR A 45 -8.056 11.128 -30.775 1.00 0.00 C ATOM 647 O THR A 45 -9.176 11.050 -30.268 1.00 0.00 O ATOM 648 CB THR A 45 -7.422 9.598 -32.641 1.00 0.00 C ATOM 649 OG1 THR A 45 -8.725 9.072 -32.917 1.00 0.00 O ATOM 650 CG2 THR A 45 -6.362 8.618 -33.121 1.00 0.00 C ATOM 0 H THR A 45 -8.704 8.754 -30.084 1.00 0.00 H new ATOM 0 HA THR A 45 -6.219 10.025 -30.900 1.00 0.00 H new ATOM 0 HB THR A 45 -7.291 10.540 -33.173 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.813 8.903 -33.878 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.487 8.441 -34.189 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.372 9.034 -32.936 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.467 7.676 -32.582 1.00 0.00 H new ATOM 658 N CYS A 46 -7.462 12.286 -31.042 1.00 0.00 N ATOM 659 CA CYS A 46 -8.106 13.561 -30.749 1.00 0.00 C ATOM 660 C CYS A 46 -7.639 14.642 -31.719 1.00 0.00 C ATOM 661 O CYS A 46 -6.535 14.571 -32.260 1.00 0.00 O ATOM 662 CB CYS A 46 -7.808 13.987 -29.310 1.00 0.00 C ATOM 663 SG CYS A 46 -9.050 15.088 -28.594 1.00 0.00 S ATOM 0 H CYS A 46 -6.536 12.368 -31.461 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.182 13.432 -30.867 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -7.726 13.096 -28.688 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.838 14.484 -29.283 1.00 0.00 H new ATOM 0 HG CYS A 46 -9.492 14.579 -27.483 1.00 0.00 H new ATOM 669 N LEU A 47 -8.487 15.641 -31.936 1.00 0.00 N ATOM 670 CA LEU A 47 -8.163 16.736 -32.843 1.00 0.00 C ATOM 671 C LEU A 47 -7.611 17.933 -32.075 1.00 0.00 C ATOM 672 O LEU A 47 -7.880 19.083 -32.421 1.00 0.00 O ATOM 673 CB LEU A 47 -9.403 17.153 -33.635 1.00 0.00 C ATOM 674 CG LEU A 47 -9.782 16.251 -34.811 1.00 0.00 C ATOM 675 CD1 LEU A 47 -8.779 16.403 -35.944 1.00 0.00 C ATOM 676 CD2 LEU A 47 -9.869 14.799 -34.364 1.00 0.00 C ATOM 0 H LEU A 47 -9.404 15.715 -31.496 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.398 16.387 -33.536 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.249 17.198 -32.950 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.245 18.163 -34.013 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.762 16.556 -35.177 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.064 15.754 -36.772 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.767 17.439 -36.282 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.786 16.125 -35.591 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.140 14.172 -35.214 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.903 14.481 -33.971 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.627 14.703 -33.586 1.00 0.00 H new ATOM 688 N SER A 48 -6.835 17.654 -31.032 1.00 0.00 N ATOM 689 CA SER A 48 -6.246 18.708 -30.214 1.00 0.00 C ATOM 690 C SER A 48 -5.209 18.134 -29.254 1.00 0.00 C ATOM 691 O SER A 48 -5.551 17.467 -28.278 1.00 0.00 O ATOM 692 CB SER A 48 -7.335 19.442 -29.428 1.00 0.00 C ATOM 693 OG SER A 48 -6.977 20.794 -29.203 1.00 0.00 O ATOM 0 H SER A 48 -6.600 16.707 -30.734 1.00 0.00 H new ATOM 0 HA SER A 48 -5.749 19.415 -30.878 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.276 19.398 -29.976 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.499 18.942 -28.473 1.00 0.00 H new ATOM 0 HG SER A 48 -7.689 21.242 -28.701 1.00 0.00 H new ATOM 699 N LYS A 49 -3.938 18.399 -29.539 1.00 0.00 N ATOM 700 CA LYS A 49 -2.848 17.912 -28.702 1.00 0.00 C ATOM 701 C LYS A 49 -3.219 17.994 -27.224 1.00 0.00 C ATOM 702 O LYS A 49 -3.077 17.021 -26.484 1.00 0.00 O ATOM 703 CB LYS A 49 -1.575 18.719 -28.965 1.00 0.00 C ATOM 704 CG LYS A 49 -1.841 20.156 -29.381 1.00 0.00 C ATOM 705 CD LYS A 49 -1.802 20.315 -30.891 1.00 0.00 C ATOM 706 CE LYS A 49 -2.706 21.447 -31.356 1.00 0.00 C ATOM 707 NZ LYS A 49 -2.325 21.942 -32.708 1.00 0.00 N ATOM 0 H LYS A 49 -3.638 18.949 -30.344 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.667 16.868 -28.956 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.962 18.718 -28.064 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.996 18.225 -29.745 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.815 20.470 -29.006 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.098 20.811 -28.926 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.779 20.510 -31.211 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.111 19.383 -31.364 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.740 21.102 -31.374 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.656 22.268 -30.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.965 22.713 -32.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.347 22.295 -32.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.397 21.165 -33.395 1.00 0.00 H new ATOM 721 N GLY A 50 -3.695 19.161 -26.802 1.00 0.00 N ATOM 722 CA GLY A 50 -4.079 19.348 -25.415 1.00 0.00 C ATOM 723 C GLY A 50 -5.037 18.278 -24.930 1.00 0.00 C ATOM 724 O GLY A 50 -4.741 17.552 -23.981 1.00 0.00 O ATOM 0 H GLY A 50 -3.822 19.981 -27.396 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.186 19.342 -24.790 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.543 20.327 -25.299 1.00 0.00 H new ATOM 728 N HIS A 51 -6.192 18.180 -25.582 1.00 0.00 N ATOM 729 CA HIS A 51 -7.198 17.192 -25.211 1.00 0.00 C ATOM 730 C HIS A 51 -6.571 15.810 -25.056 1.00 0.00 C ATOM 731 O HIS A 51 -6.803 15.119 -24.063 1.00 0.00 O ATOM 732 CB HIS A 51 -8.309 17.146 -26.260 1.00 0.00 C ATOM 733 CG HIS A 51 -9.356 18.200 -26.071 1.00 0.00 C ATOM 734 ND1 HIS A 51 -10.165 18.650 -27.093 1.00 0.00 N ATOM 735 CD2 HIS A 51 -9.725 18.893 -24.968 1.00 0.00 C ATOM 736 CE1 HIS A 51 -10.985 19.575 -26.627 1.00 0.00 C ATOM 737 NE2 HIS A 51 -10.739 19.741 -25.340 1.00 0.00 N ATOM 0 H HIS A 51 -6.454 18.773 -26.370 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.625 17.487 -24.253 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.867 17.258 -27.250 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -8.784 16.165 -26.232 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.301 18.797 -23.979 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -11.730 20.106 -27.201 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -11.223 20.393 -24.723 1.00 0.00 H new ATOM 745 N LEU A 52 -5.776 15.412 -26.044 1.00 0.00 N ATOM 746 CA LEU A 52 -5.116 14.112 -26.018 1.00 0.00 C ATOM 747 C LEU A 52 -4.457 13.863 -24.665 1.00 0.00 C ATOM 748 O LEU A 52 -4.572 12.776 -24.096 1.00 0.00 O ATOM 749 CB LEU A 52 -4.069 14.027 -27.130 1.00 0.00 C ATOM 750 CG LEU A 52 -3.093 12.854 -27.045 1.00 0.00 C ATOM 751 CD1 LEU A 52 -3.844 11.531 -27.061 1.00 0.00 C ATOM 752 CD2 LEU A 52 -2.088 12.912 -28.187 1.00 0.00 C ATOM 0 H LEU A 52 -5.573 15.971 -26.873 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.873 13.345 -26.180 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.588 13.973 -28.087 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.494 14.953 -27.131 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.549 12.928 -26.104 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.132 10.708 -27.000 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.523 11.488 -26.209 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.416 11.448 -27.985 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.401 12.069 -28.110 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.616 12.864 -29.139 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.526 13.844 -28.130 1.00 0.00 H new ATOM 764 N LYS A 53 -3.767 14.876 -24.153 1.00 0.00 N ATOM 765 CA LYS A 53 -3.092 14.770 -22.864 1.00 0.00 C ATOM 766 C LYS A 53 -4.079 14.398 -21.762 1.00 0.00 C ATOM 767 O LYS A 53 -3.837 13.474 -20.985 1.00 0.00 O ATOM 768 CB LYS A 53 -2.399 16.090 -22.518 1.00 0.00 C ATOM 769 CG LYS A 53 -1.895 16.155 -21.087 1.00 0.00 C ATOM 770 CD LYS A 53 -0.990 17.356 -20.868 1.00 0.00 C ATOM 771 CE LYS A 53 0.409 17.105 -21.410 1.00 0.00 C ATOM 772 NZ LYS A 53 1.108 18.376 -21.749 1.00 0.00 N ATOM 0 H LYS A 53 -3.660 15.781 -24.611 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.343 13.982 -22.938 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.560 16.239 -23.197 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.095 16.911 -22.687 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.743 16.208 -20.404 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.351 15.241 -20.850 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.419 18.231 -21.357 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.934 17.581 -19.803 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.992 16.556 -20.671 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.347 16.476 -22.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.058 18.163 -22.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.565 18.888 -22.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.190 18.965 -20.896 1.00 0.00 H new ATOM 786 N VAL A 54 -5.192 15.121 -21.701 1.00 0.00 N ATOM 787 CA VAL A 54 -6.217 14.865 -20.696 1.00 0.00 C ATOM 788 C VAL A 54 -6.660 13.407 -20.723 1.00 0.00 C ATOM 789 O VAL A 54 -6.818 12.775 -19.678 1.00 0.00 O ATOM 790 CB VAL A 54 -7.447 15.768 -20.905 1.00 0.00 C ATOM 791 CG1 VAL A 54 -8.524 15.449 -19.880 1.00 0.00 C ATOM 792 CG2 VAL A 54 -7.049 17.235 -20.834 1.00 0.00 C ATOM 0 H VAL A 54 -5.407 15.889 -22.336 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.772 15.089 -19.726 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.855 15.573 -21.897 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.385 16.097 -20.043 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.828 14.408 -19.984 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.131 15.614 -18.877 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.930 17.859 -20.984 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.616 17.448 -19.857 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.315 17.451 -21.611 1.00 0.00 H new ATOM 802 N HIS A 55 -6.860 12.877 -21.926 1.00 0.00 N ATOM 803 CA HIS A 55 -7.285 11.491 -22.089 1.00 0.00 C ATOM 804 C HIS A 55 -6.388 10.550 -21.290 1.00 0.00 C ATOM 805 O HIS A 55 -6.867 9.606 -20.661 1.00 0.00 O ATOM 806 CB HIS A 55 -7.265 11.101 -23.567 1.00 0.00 C ATOM 807 CG HIS A 55 -7.173 9.623 -23.796 1.00 0.00 C ATOM 808 ND1 HIS A 55 -8.278 8.801 -23.859 1.00 0.00 N ATOM 809 CD2 HIS A 55 -6.098 8.821 -23.978 1.00 0.00 C ATOM 810 CE1 HIS A 55 -7.887 7.557 -24.068 1.00 0.00 C ATOM 811 NE2 HIS A 55 -6.568 7.542 -24.145 1.00 0.00 N ATOM 0 H HIS A 55 -6.735 13.386 -22.801 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.303 11.402 -21.711 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.168 11.479 -24.046 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.419 11.589 -24.051 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -9.246 9.106 -23.760 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.063 9.130 -23.990 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.535 6.698 -24.160 1.00 0.00 H new ATOM 819 N ILE A 56 -5.086 10.813 -21.321 1.00 0.00 N ATOM 820 CA ILE A 56 -4.124 9.990 -20.600 1.00 0.00 C ATOM 821 C ILE A 56 -4.121 10.324 -19.112 1.00 0.00 C ATOM 822 O ILE A 56 -3.965 9.441 -18.268 1.00 0.00 O ATOM 823 CB ILE A 56 -2.700 10.170 -21.157 1.00 0.00 C ATOM 824 CG1 ILE A 56 -2.664 9.823 -22.647 1.00 0.00 C ATOM 825 CG2 ILE A 56 -1.715 9.306 -20.383 1.00 0.00 C ATOM 826 CD1 ILE A 56 -1.466 10.396 -23.372 1.00 0.00 C ATOM 0 H ILE A 56 -4.673 11.590 -21.838 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.431 8.953 -20.737 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.409 11.214 -21.039 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.662 8.739 -22.759 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.575 10.191 -23.120 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.713 9.444 -20.789 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.724 9.596 -19.332 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.001 8.258 -20.473 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.506 10.110 -24.423 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.477 11.483 -23.291 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.551 10.008 -22.925 1.00 0.00 H new ATOM 838 N GLU A 57 -4.297 11.603 -18.797 1.00 0.00 N ATOM 839 CA GLU A 57 -4.315 12.053 -17.410 1.00 0.00 C ATOM 840 C GLU A 57 -5.602 11.617 -16.715 1.00 0.00 C ATOM 841 O GLU A 57 -5.737 11.749 -15.498 1.00 0.00 O ATOM 842 CB GLU A 57 -4.176 13.575 -17.342 1.00 0.00 C ATOM 843 CG GLU A 57 -2.916 14.102 -18.008 1.00 0.00 C ATOM 844 CD GLU A 57 -2.434 15.404 -17.399 1.00 0.00 C ATOM 845 OE1 GLU A 57 -3.020 16.460 -17.718 1.00 0.00 O ATOM 846 OE2 GLU A 57 -1.473 15.367 -16.603 1.00 0.00 O ATOM 0 H GLU A 57 -4.429 12.346 -19.483 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.470 11.596 -16.895 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.045 14.032 -17.815 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.182 13.886 -16.297 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.127 13.354 -17.928 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.107 14.251 -19.071 1.00 0.00 H new ATOM 853 N ARG A 58 -6.543 11.098 -17.496 1.00 0.00 N ATOM 854 CA ARG A 58 -7.819 10.645 -16.956 1.00 0.00 C ATOM 855 C ARG A 58 -8.000 9.145 -17.174 1.00 0.00 C ATOM 856 O ARG A 58 -8.614 8.458 -16.358 1.00 0.00 O ATOM 857 CB ARG A 58 -8.974 11.408 -17.608 1.00 0.00 C ATOM 858 CG ARG A 58 -9.482 10.767 -18.888 1.00 0.00 C ATOM 859 CD ARG A 58 -10.374 11.717 -19.672 1.00 0.00 C ATOM 860 NE ARG A 58 -11.779 11.585 -19.296 1.00 0.00 N ATOM 861 CZ ARG A 58 -12.773 12.171 -19.953 1.00 0.00 C ATOM 862 NH1 ARG A 58 -12.518 12.925 -21.014 1.00 0.00 N ATOM 863 NH2 ARG A 58 -14.026 12.003 -19.550 1.00 0.00 N ATOM 0 H ARG A 58 -6.446 10.981 -18.505 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.821 10.843 -15.884 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.797 11.481 -16.897 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.649 12.425 -17.825 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.636 10.467 -19.506 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.037 9.861 -18.647 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.048 12.743 -19.502 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.264 11.520 -20.738 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.009 11.011 -18.485 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.556 13.056 -21.327 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.284 13.374 -21.517 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.226 11.423 -18.735 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.789 12.454 -20.055 1.00 0.00 H new ATOM 877 N VAL A 59 -7.461 8.644 -18.281 1.00 0.00 N ATOM 878 CA VAL A 59 -7.562 7.227 -18.607 1.00 0.00 C ATOM 879 C VAL A 59 -6.320 6.469 -18.152 1.00 0.00 C ATOM 880 O VAL A 59 -6.397 5.586 -17.296 1.00 0.00 O ATOM 881 CB VAL A 59 -7.757 7.011 -20.119 1.00 0.00 C ATOM 882 CG1 VAL A 59 -7.857 5.527 -20.438 1.00 0.00 C ATOM 883 CG2 VAL A 59 -8.991 7.754 -20.609 1.00 0.00 C ATOM 0 H VAL A 59 -6.950 9.199 -18.967 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.434 6.842 -18.078 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.888 7.413 -20.640 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.995 5.394 -21.511 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.942 5.025 -20.125 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.707 5.097 -19.907 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.113 7.590 -21.680 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.871 7.385 -20.083 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.874 8.820 -20.416 1.00 0.00 H new ATOM 893 N HIS A 60 -5.175 6.819 -18.730 1.00 0.00 N ATOM 894 CA HIS A 60 -3.915 6.172 -18.383 1.00 0.00 C ATOM 895 C HIS A 60 -3.185 6.952 -17.293 1.00 0.00 C ATOM 896 O HIS A 60 -1.970 7.138 -17.356 1.00 0.00 O ATOM 897 CB HIS A 60 -3.024 6.046 -19.620 1.00 0.00 C ATOM 898 CG HIS A 60 -3.741 5.512 -20.821 1.00 0.00 C ATOM 899 ND1 HIS A 60 -3.931 4.165 -21.047 1.00 0.00 N ATOM 900 CD2 HIS A 60 -4.316 6.152 -21.866 1.00 0.00 C ATOM 901 CE1 HIS A 60 -4.590 3.999 -22.180 1.00 0.00 C ATOM 902 NE2 HIS A 60 -4.836 5.190 -22.696 1.00 0.00 N ATOM 0 H HIS A 60 -5.094 7.547 -19.440 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.140 5.175 -18.003 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.609 7.025 -19.860 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.184 5.392 -19.388 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.358 7.220 -22.018 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.878 3.052 -22.611 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.332 5.366 -23.570 1.00 0.00 H new ATOM 910 N LYS A 61 -3.935 7.408 -16.296 1.00 0.00 N ATOM 911 CA LYS A 61 -3.362 8.168 -15.192 1.00 0.00 C ATOM 912 C LYS A 61 -2.729 7.237 -14.162 1.00 0.00 C ATOM 913 O LYS A 61 -3.262 6.168 -13.865 1.00 0.00 O ATOM 914 CB LYS A 61 -4.437 9.028 -14.524 1.00 0.00 C ATOM 915 CG LYS A 61 -4.068 9.484 -13.123 1.00 0.00 C ATOM 916 CD LYS A 61 -2.852 10.395 -13.135 1.00 0.00 C ATOM 917 CE LYS A 61 -3.252 11.857 -13.262 1.00 0.00 C ATOM 918 NZ LYS A 61 -2.108 12.710 -13.687 1.00 0.00 N ATOM 0 H LYS A 61 -4.943 7.264 -16.230 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.585 8.818 -15.596 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.626 9.904 -15.144 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.367 8.462 -14.479 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.912 10.009 -12.676 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.866 8.614 -12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.280 10.252 -12.219 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.200 10.122 -13.964 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.063 11.950 -13.985 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.635 12.213 -12.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.421 13.699 -13.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.344 12.641 -12.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.758 12.387 -14.612 1.00 0.00 H new ATOM 995 N GLN A 65 5.231 3.378 -15.890 1.00 0.00 N ATOM 996 CA GLN A 65 6.045 3.356 -17.099 1.00 0.00 C ATOM 997 C GLN A 65 7.314 2.537 -16.885 1.00 0.00 C ATOM 998 O GLN A 65 8.217 2.952 -16.157 1.00 0.00 O ATOM 999 CB GLN A 65 6.408 4.780 -17.522 1.00 0.00 C ATOM 1000 CG GLN A 65 6.387 4.992 -19.027 1.00 0.00 C ATOM 1001 CD GLN A 65 5.995 6.405 -19.412 1.00 0.00 C ATOM 1002 OE1 GLN A 65 5.423 7.144 -18.610 1.00 0.00 O ATOM 1003 NE2 GLN A 65 6.301 6.789 -20.646 1.00 0.00 N ATOM 0 HA GLN A 65 5.461 2.888 -17.891 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.712 5.477 -17.056 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.402 5.020 -17.143 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.373 4.768 -19.435 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.688 4.289 -19.479 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.775 6.144 -21.278 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.062 7.729 -20.962 1.00 0.00 H new ATOM 1012 N HIS A 66 7.377 1.373 -17.524 1.00 0.00 N ATOM 1013 CA HIS A 66 8.537 0.497 -17.404 1.00 0.00 C ATOM 1014 C HIS A 66 9.465 0.656 -18.604 1.00 0.00 C ATOM 1015 O HIS A 66 9.094 0.342 -19.735 1.00 0.00 O ATOM 1016 CB HIS A 66 8.090 -0.960 -17.280 1.00 0.00 C ATOM 1017 CG HIS A 66 7.108 -1.377 -18.332 1.00 0.00 C ATOM 1018 ND1 HIS A 66 5.743 -1.359 -18.137 1.00 0.00 N ATOM 1019 CD2 HIS A 66 7.301 -1.824 -19.595 1.00 0.00 C ATOM 1020 CE1 HIS A 66 5.139 -1.778 -19.234 1.00 0.00 C ATOM 1021 NE2 HIS A 66 6.061 -2.066 -20.134 1.00 0.00 N ATOM 0 H HIS A 66 6.639 1.015 -18.130 1.00 0.00 H new ATOM 0 HA HIS A 66 9.084 0.780 -16.505 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.966 -1.606 -17.336 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.644 -1.112 -16.297 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.252 -1.964 -20.087 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.072 -1.870 -19.372 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.882 -2.412 -21.077 1.00 0.00 H new ATOM 1029 N CYS A 67 10.674 1.147 -18.350 1.00 0.00 N ATOM 1030 CA CYS A 67 11.655 1.350 -19.408 1.00 0.00 C ATOM 1031 C CYS A 67 11.785 0.102 -20.276 1.00 0.00 C ATOM 1032 O CYS A 67 12.134 -0.973 -19.787 1.00 0.00 O ATOM 1033 CB CYS A 67 13.016 1.712 -18.808 1.00 0.00 C ATOM 1034 SG CYS A 67 14.080 2.691 -19.915 1.00 0.00 S ATOM 0 H CYS A 67 10.997 1.412 -17.419 1.00 0.00 H new ATOM 0 HA CYS A 67 11.311 2.173 -20.035 1.00 0.00 H new ATOM 0 HB2 CYS A 67 12.857 2.271 -17.886 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.538 0.794 -18.538 1.00 0.00 H new ATOM 0 HG CYS A 67 13.817 2.387 -21.151 1.00 0.00 H new ATOM 1039 N ARG A 68 11.503 0.253 -21.566 1.00 0.00 N ATOM 1040 CA ARG A 68 11.587 -0.862 -22.502 1.00 0.00 C ATOM 1041 C ARG A 68 13.030 -1.098 -22.937 1.00 0.00 C ATOM 1042 O ARG A 68 13.290 -1.835 -23.889 1.00 0.00 O ATOM 1043 CB ARG A 68 10.711 -0.594 -23.727 1.00 0.00 C ATOM 1044 CG ARG A 68 11.384 0.272 -24.779 1.00 0.00 C ATOM 1045 CD ARG A 68 11.569 1.700 -24.290 1.00 0.00 C ATOM 1046 NE ARG A 68 10.299 2.325 -23.932 1.00 0.00 N ATOM 1047 CZ ARG A 68 9.414 2.756 -24.824 1.00 0.00 C ATOM 1048 NH1 ARG A 68 9.661 2.630 -26.121 1.00 0.00 N ATOM 1049 NH2 ARG A 68 8.281 3.315 -24.420 1.00 0.00 N ATOM 0 H ARG A 68 11.214 1.136 -21.987 1.00 0.00 H new ATOM 0 HA ARG A 68 11.227 -1.758 -21.995 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.430 -1.546 -24.178 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.789 -0.109 -23.405 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.354 -0.154 -25.037 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.784 0.273 -25.689 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.231 1.704 -23.424 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.056 2.289 -25.067 1.00 0.00 H new ATOM 0 HE ARG A 68 10.079 2.437 -22.942 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.532 2.202 -26.435 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.980 2.962 -26.804 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.088 3.414 -23.423 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.602 3.646 -25.106 1.00 0.00 H new ATOM 1063 N PHE A 69 13.965 -0.467 -22.235 1.00 0.00 N ATOM 1064 CA PHE A 69 15.382 -0.608 -22.549 1.00 0.00 C ATOM 1065 C PHE A 69 16.107 -1.392 -21.459 1.00 0.00 C ATOM 1066 O PHE A 69 16.848 -2.333 -21.744 1.00 0.00 O ATOM 1067 CB PHE A 69 16.028 0.769 -22.717 1.00 0.00 C ATOM 1068 CG PHE A 69 15.723 1.418 -24.037 1.00 0.00 C ATOM 1069 CD1 PHE A 69 16.188 0.866 -25.219 1.00 0.00 C ATOM 1070 CD2 PHE A 69 14.970 2.580 -24.095 1.00 0.00 C ATOM 1071 CE1 PHE A 69 15.910 1.461 -26.435 1.00 0.00 C ATOM 1072 CE2 PHE A 69 14.688 3.180 -25.308 1.00 0.00 C ATOM 1073 CZ PHE A 69 15.157 2.619 -26.479 1.00 0.00 C ATOM 0 H PHE A 69 13.767 0.147 -21.445 1.00 0.00 H new ATOM 0 HA PHE A 69 15.467 -1.159 -23.485 1.00 0.00 H new ATOM 0 HB2 PHE A 69 15.687 1.422 -21.913 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.108 0.670 -22.611 1.00 0.00 H new ATOM 0 HD1 PHE A 69 16.775 -0.040 -25.190 1.00 0.00 H new ATOM 0 HD2 PHE A 69 14.599 3.022 -23.182 1.00 0.00 H new ATOM 0 HE1 PHE A 69 16.281 1.022 -27.349 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.102 4.086 -25.340 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.936 3.084 -27.428 1.00 0.00 H new ATOM 1083 N CYS A 70 15.886 -0.998 -20.209 1.00 0.00 N ATOM 1084 CA CYS A 70 16.517 -1.662 -19.075 1.00 0.00 C ATOM 1085 C CYS A 70 15.467 -2.215 -18.116 1.00 0.00 C ATOM 1086 O CYS A 70 15.735 -2.414 -16.931 1.00 0.00 O ATOM 1087 CB CYS A 70 17.437 -0.689 -18.335 1.00 0.00 C ATOM 1088 SG CYS A 70 16.617 0.846 -17.796 1.00 0.00 S ATOM 0 H CYS A 70 15.274 -0.222 -19.956 1.00 0.00 H new ATOM 0 HA CYS A 70 17.110 -2.493 -19.456 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.853 -1.192 -17.462 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.274 -0.432 -18.984 1.00 0.00 H new ATOM 0 HG CYS A 70 15.726 1.194 -18.676 1.00 0.00 H new ATOM 1093 N LYS A 71 14.270 -2.464 -18.637 1.00 0.00 N ATOM 1094 CA LYS A 71 13.179 -2.996 -17.830 1.00 0.00 C ATOM 1095 C LYS A 71 13.174 -2.367 -16.440 1.00 0.00 C ATOM 1096 O LYS A 71 13.099 -3.067 -15.430 1.00 0.00 O ATOM 1097 CB LYS A 71 13.300 -4.517 -17.712 1.00 0.00 C ATOM 1098 CG LYS A 71 12.675 -5.269 -18.875 1.00 0.00 C ATOM 1099 CD LYS A 71 11.158 -5.180 -18.845 1.00 0.00 C ATOM 1100 CE LYS A 71 10.558 -5.430 -20.220 1.00 0.00 C ATOM 1101 NZ LYS A 71 9.078 -5.264 -20.219 1.00 0.00 N ATOM 0 H LYS A 71 14.031 -2.305 -19.616 1.00 0.00 H new ATOM 0 HA LYS A 71 12.240 -2.749 -18.325 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.354 -4.785 -17.642 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.826 -4.840 -16.785 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.046 -4.861 -19.815 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.980 -6.315 -18.839 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.764 -5.909 -18.137 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.857 -4.195 -18.489 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.000 -4.741 -20.940 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.810 -6.438 -20.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.708 -5.443 -21.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.653 -5.939 -19.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.838 -4.294 -19.931 1.00 0.00 H new ATOM 1115 N LYS A 72 13.252 -1.041 -16.396 1.00 0.00 N ATOM 1116 CA LYS A 72 13.253 -0.317 -15.130 1.00 0.00 C ATOM 1117 C LYS A 72 11.869 0.247 -14.825 1.00 0.00 C ATOM 1118 O LYS A 72 10.959 0.170 -15.651 1.00 0.00 O ATOM 1119 CB LYS A 72 14.279 0.818 -15.170 1.00 0.00 C ATOM 1120 CG LYS A 72 14.698 1.307 -13.794 1.00 0.00 C ATOM 1121 CD LYS A 72 16.068 1.962 -13.828 1.00 0.00 C ATOM 1122 CE LYS A 72 17.182 0.928 -13.756 1.00 0.00 C ATOM 1123 NZ LYS A 72 18.437 1.502 -13.198 1.00 0.00 N ATOM 0 H LYS A 72 13.315 -0.446 -17.222 1.00 0.00 H new ATOM 0 HA LYS A 72 13.524 -1.017 -14.340 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.163 0.479 -15.711 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.862 1.654 -15.732 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.962 2.019 -13.421 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.712 0.469 -13.098 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.171 2.546 -14.743 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.161 2.657 -12.994 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.860 0.090 -13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.376 0.533 -14.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 19.171 0.766 -13.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 18.759 2.285 -13.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 18.259 1.856 -12.236 1.00 0.00 H new ATOM 1137 N LYS A 73 11.715 0.814 -13.633 1.00 0.00 N ATOM 1138 CA LYS A 73 10.443 1.393 -13.219 1.00 0.00 C ATOM 1139 C LYS A 73 10.606 2.869 -12.868 1.00 0.00 C ATOM 1140 O LYS A 73 11.454 3.234 -12.054 1.00 0.00 O ATOM 1141 CB LYS A 73 9.880 0.631 -12.016 1.00 0.00 C ATOM 1142 CG LYS A 73 8.363 0.560 -11.998 1.00 0.00 C ATOM 1143 CD LYS A 73 7.840 0.172 -10.625 1.00 0.00 C ATOM 1144 CE LYS A 73 6.373 0.540 -10.463 1.00 0.00 C ATOM 1145 NZ LYS A 73 6.152 2.007 -10.587 1.00 0.00 N ATOM 0 H LYS A 73 12.457 0.885 -12.936 1.00 0.00 H new ATOM 0 HA LYS A 73 9.746 1.310 -14.053 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.283 -0.382 -12.017 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.224 1.110 -11.099 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.949 1.526 -12.287 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.023 -0.166 -12.737 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.966 -0.900 -10.476 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.429 0.672 -9.856 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.783 0.019 -11.217 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.019 0.200 -9.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.628 2.351 -9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.070 2.493 -10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.603 2.204 -11.448 1.00 0.00 H new ATOM 1159 N TYR A 74 9.786 3.712 -13.486 1.00 0.00 N ATOM 1160 CA TYR A 74 9.840 5.148 -13.240 1.00 0.00 C ATOM 1161 C TYR A 74 8.463 5.689 -12.868 1.00 0.00 C ATOM 1162 O TYR A 74 8.347 6.673 -12.138 1.00 0.00 O ATOM 1163 CB TYR A 74 10.371 5.879 -14.475 1.00 0.00 C ATOM 1164 CG TYR A 74 11.870 5.775 -14.642 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.489 4.539 -14.781 1.00 0.00 C ATOM 1166 CD2 TYR A 74 12.667 6.913 -14.661 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.859 4.440 -14.933 1.00 0.00 C ATOM 1168 CE2 TYR A 74 14.037 6.823 -14.814 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.628 5.584 -14.950 1.00 0.00 C ATOM 1170 OH TYR A 74 15.992 5.490 -15.101 1.00 0.00 O ATOM 0 H TYR A 74 9.076 3.426 -14.161 1.00 0.00 H new ATOM 0 HA TYR A 74 10.517 5.322 -12.404 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.886 5.474 -15.363 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.093 6.931 -14.412 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.890 3.641 -14.770 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.208 7.885 -14.554 1.00 0.00 H new ATOM 0 HE1 TYR A 74 14.325 3.471 -15.038 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.642 7.718 -14.827 1.00 0.00 H new ATOM 0 HH TYR A 74 16.435 6.020 -14.406 1.00 0.00 H new ATOM 1180 N SER A 75 7.422 5.037 -13.375 1.00 0.00 N ATOM 1181 CA SER A 75 6.051 5.453 -13.099 1.00 0.00 C ATOM 1182 C SER A 75 5.859 6.933 -13.416 1.00 0.00 C ATOM 1183 O SER A 75 4.979 7.589 -12.858 1.00 0.00 O ATOM 1184 CB SER A 75 5.699 5.183 -11.636 1.00 0.00 C ATOM 1185 OG SER A 75 4.299 5.263 -11.425 1.00 0.00 O ATOM 0 H SER A 75 7.501 4.219 -13.979 1.00 0.00 H new ATOM 0 HA SER A 75 5.385 4.873 -13.738 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.057 4.194 -11.349 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.208 5.905 -10.997 1.00 0.00 H new ATOM 0 HG SER A 75 3.955 6.089 -11.825 1.00 0.00 H new ATOM 1191 N ASP A 76 6.689 7.452 -14.314 1.00 0.00 N ATOM 1192 CA ASP A 76 6.611 8.855 -14.706 1.00 0.00 C ATOM 1193 C ASP A 76 7.387 9.102 -15.996 1.00 0.00 C ATOM 1194 O ASP A 76 8.618 9.135 -15.995 1.00 0.00 O ATOM 1195 CB ASP A 76 7.152 9.750 -13.590 1.00 0.00 C ATOM 1196 CG ASP A 76 6.473 9.491 -12.260 1.00 0.00 C ATOM 1197 OD1 ASP A 76 5.341 9.981 -12.066 1.00 0.00 O ATOM 1198 OD2 ASP A 76 7.074 8.798 -11.413 1.00 0.00 O ATOM 0 H ASP A 76 7.423 6.923 -14.784 1.00 0.00 H new ATOM 0 HA ASP A 76 5.563 9.100 -14.881 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.225 9.587 -13.485 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.014 10.795 -13.867 1.00 0.00 H new ATOM 1203 N VAL A 77 6.660 9.275 -17.095 1.00 0.00 N ATOM 1204 CA VAL A 77 7.280 9.520 -18.391 1.00 0.00 C ATOM 1205 C VAL A 77 8.331 10.620 -18.299 1.00 0.00 C ATOM 1206 O VAL A 77 9.487 10.423 -18.674 1.00 0.00 O ATOM 1207 CB VAL A 77 6.232 9.913 -19.450 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.428 11.117 -18.983 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.904 10.195 -20.785 1.00 0.00 C ATOM 0 H VAL A 77 5.640 9.250 -17.113 1.00 0.00 H new ATOM 0 HA VAL A 77 7.759 8.589 -18.693 1.00 0.00 H new ATOM 0 HB VAL A 77 5.545 9.077 -19.585 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.693 11.381 -19.743 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.916 10.874 -18.052 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.098 11.961 -18.819 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.149 10.471 -21.521 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.614 11.014 -20.669 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.431 9.303 -21.123 1.00 0.00 H new ATOM 1219 N LYS A 78 7.922 11.781 -17.797 1.00 0.00 N ATOM 1220 CA LYS A 78 8.828 12.914 -17.653 1.00 0.00 C ATOM 1221 C LYS A 78 10.232 12.445 -17.287 1.00 0.00 C ATOM 1222 O LYS A 78 11.190 12.693 -18.019 1.00 0.00 O ATOM 1223 CB LYS A 78 8.306 13.878 -16.585 1.00 0.00 C ATOM 1224 CG LYS A 78 7.242 14.834 -17.096 1.00 0.00 C ATOM 1225 CD LYS A 78 6.830 15.832 -16.027 1.00 0.00 C ATOM 1226 CE LYS A 78 6.219 17.083 -16.639 1.00 0.00 C ATOM 1227 NZ LYS A 78 7.260 18.074 -17.032 1.00 0.00 N ATOM 0 H LYS A 78 6.968 11.961 -17.483 1.00 0.00 H new ATOM 0 HA LYS A 78 8.876 13.433 -18.610 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.896 13.301 -15.756 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.141 14.455 -16.189 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.620 15.368 -17.968 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.370 14.268 -17.423 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.111 15.368 -15.352 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.699 16.105 -15.429 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.630 16.809 -17.514 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.534 17.540 -15.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.803 18.912 -17.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.806 18.355 -16.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.899 17.647 -17.733 1.00 0.00 H new ATOM 1241 N ASN A 79 10.347 11.765 -16.151 1.00 0.00 N ATOM 1242 CA ASN A 79 11.635 11.260 -15.690 1.00 0.00 C ATOM 1243 C ASN A 79 12.202 10.238 -16.670 1.00 0.00 C ATOM 1244 O ASN A 79 13.359 10.331 -17.082 1.00 0.00 O ATOM 1245 CB ASN A 79 11.491 10.629 -14.303 1.00 0.00 C ATOM 1246 CG ASN A 79 10.578 11.429 -13.395 1.00 0.00 C ATOM 1247 OD1 ASN A 79 9.783 10.865 -12.643 1.00 0.00 O ATOM 1248 ND2 ASN A 79 10.687 12.751 -13.462 1.00 0.00 N ATOM 0 H ASN A 79 9.564 11.551 -15.533 1.00 0.00 H new ATOM 0 HA ASN A 79 12.327 12.100 -15.630 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.100 9.617 -14.406 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.475 10.545 -13.841 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.098 13.342 -12.875 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.360 13.176 -14.100 1.00 0.00 H new ATOM 1255 N LEU A 80 11.380 9.262 -17.040 1.00 0.00 N ATOM 1256 CA LEU A 80 11.798 8.221 -17.973 1.00 0.00 C ATOM 1257 C LEU A 80 12.516 8.825 -19.176 1.00 0.00 C ATOM 1258 O LEU A 80 13.470 8.246 -19.697 1.00 0.00 O ATOM 1259 CB LEU A 80 10.587 7.412 -18.441 1.00 0.00 C ATOM 1260 CG LEU A 80 10.880 6.268 -19.413 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.872 5.290 -18.803 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.593 5.554 -19.798 1.00 0.00 C ATOM 0 H LEU A 80 10.420 9.170 -16.708 1.00 0.00 H new ATOM 0 HA LEU A 80 12.491 7.559 -17.454 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.090 6.998 -17.563 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.881 8.094 -18.915 1.00 0.00 H new ATOM 0 HG LEU A 80 11.324 6.688 -20.316 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.068 4.483 -19.509 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.803 5.809 -18.578 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.456 4.876 -17.885 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.820 4.743 -20.490 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.121 5.147 -18.904 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.914 6.260 -20.277 1.00 0.00 H new ATOM 1274 N ILE A 81 12.054 9.993 -19.610 1.00 0.00 N ATOM 1275 CA ILE A 81 12.654 10.676 -20.748 1.00 0.00 C ATOM 1276 C ILE A 81 14.124 10.991 -20.488 1.00 0.00 C ATOM 1277 O ILE A 81 15.010 10.488 -21.180 1.00 0.00 O ATOM 1278 CB ILE A 81 11.911 11.985 -21.076 1.00 0.00 C ATOM 1279 CG1 ILE A 81 10.450 11.693 -21.427 1.00 0.00 C ATOM 1280 CG2 ILE A 81 12.601 12.714 -22.219 1.00 0.00 C ATOM 1281 CD1 ILE A 81 10.286 10.838 -22.664 1.00 0.00 C ATOM 0 H ILE A 81 11.266 10.486 -19.190 1.00 0.00 H new ATOM 0 HA ILE A 81 12.574 10.000 -21.599 1.00 0.00 H new ATOM 0 HB ILE A 81 11.932 12.628 -20.196 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.975 11.192 -20.583 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.925 12.636 -21.575 1.00 0.00 H new ATOM 0 HG21 ILE A 81 12.064 13.637 -22.439 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.626 12.950 -21.934 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.608 12.078 -23.105 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.226 10.671 -22.853 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.731 11.346 -23.519 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.783 9.880 -22.512 1.00 0.00 H new ATOM 1293 N LYS A 82 14.376 11.825 -19.485 1.00 0.00 N ATOM 1294 CA LYS A 82 15.738 12.206 -19.129 1.00 0.00 C ATOM 1295 C LYS A 82 16.625 10.974 -18.981 1.00 0.00 C ATOM 1296 O LYS A 82 17.771 10.964 -19.434 1.00 0.00 O ATOM 1297 CB LYS A 82 15.741 13.010 -17.827 1.00 0.00 C ATOM 1298 CG LYS A 82 16.854 14.041 -17.752 1.00 0.00 C ATOM 1299 CD LYS A 82 16.576 15.083 -16.682 1.00 0.00 C ATOM 1300 CE LYS A 82 17.184 16.430 -17.045 1.00 0.00 C ATOM 1301 NZ LYS A 82 16.983 17.438 -15.967 1.00 0.00 N ATOM 0 H LYS A 82 13.654 12.251 -18.904 1.00 0.00 H new ATOM 0 HA LYS A 82 16.138 12.826 -19.932 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.781 13.515 -17.719 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.836 12.323 -16.986 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.800 13.542 -17.539 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.963 14.531 -18.719 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.500 15.192 -16.550 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.982 14.744 -15.729 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.251 16.308 -17.234 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.736 16.793 -17.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.411 18.342 -16.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.965 17.574 -15.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.432 17.103 -15.091 1.00 0.00 H new ATOM 1315 N HIS A 83 16.090 9.937 -18.346 1.00 0.00 N ATOM 1316 CA HIS A 83 16.834 8.699 -18.140 1.00 0.00 C ATOM 1317 C HIS A 83 17.305 8.121 -19.471 1.00 0.00 C ATOM 1318 O HIS A 83 18.505 7.960 -19.698 1.00 0.00 O ATOM 1319 CB HIS A 83 15.969 7.676 -17.404 1.00 0.00 C ATOM 1320 CG HIS A 83 16.429 6.262 -17.584 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.603 5.778 -17.046 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.865 5.225 -18.247 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.742 4.505 -17.371 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.701 4.145 -18.099 1.00 0.00 N ATOM 0 H HIS A 83 15.144 9.929 -17.965 1.00 0.00 H new ATOM 0 HA HIS A 83 17.710 8.927 -17.532 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.964 7.915 -16.341 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.941 7.762 -17.755 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.932 5.243 -18.791 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.567 3.867 -17.089 1.00 0.00 H new ATOM 0 HE2 HIS A 83 16.543 3.216 -18.488 1.00 0.00 H new ATOM 1332 N ILE A 84 16.354 7.811 -20.346 1.00 0.00 N ATOM 1333 CA ILE A 84 16.673 7.252 -21.653 1.00 0.00 C ATOM 1334 C ILE A 84 17.687 8.120 -22.391 1.00 0.00 C ATOM 1335 O ILE A 84 18.646 7.613 -22.973 1.00 0.00 O ATOM 1336 CB ILE A 84 15.412 7.103 -22.525 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.458 6.077 -21.909 1.00 0.00 C ATOM 1338 CG2 ILE A 84 15.791 6.697 -23.941 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.068 6.110 -22.504 1.00 0.00 C ATOM 0 H ILE A 84 15.357 7.938 -20.173 1.00 0.00 H new ATOM 0 HA ILE A 84 17.102 6.266 -21.477 1.00 0.00 H new ATOM 0 HB ILE A 84 14.903 8.066 -22.568 1.00 0.00 H new ATOM 0 HG12 ILE A 84 14.877 5.079 -22.040 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.389 6.255 -20.836 1.00 0.00 H new ATOM 0 HG21 ILE A 84 14.889 6.596 -24.544 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.436 7.459 -24.378 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.320 5.744 -23.917 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.447 5.357 -22.020 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.629 7.096 -22.350 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.124 5.901 -23.572 1.00 0.00 H new ATOM 1351 N ARG A 85 17.469 9.430 -22.359 1.00 0.00 N ATOM 1352 CA ARG A 85 18.364 10.370 -23.024 1.00 0.00 C ATOM 1353 C ARG A 85 19.723 10.409 -22.331 1.00 0.00 C ATOM 1354 O ARG A 85 20.702 10.903 -22.891 1.00 0.00 O ATOM 1355 CB ARG A 85 17.747 11.770 -23.041 1.00 0.00 C ATOM 1356 CG ARG A 85 16.348 11.811 -23.634 1.00 0.00 C ATOM 1357 CD ARG A 85 15.679 13.154 -23.387 1.00 0.00 C ATOM 1358 NE ARG A 85 16.376 14.246 -24.061 1.00 0.00 N ATOM 1359 CZ ARG A 85 15.880 15.472 -24.182 1.00 0.00 C ATOM 1360 NH1 ARG A 85 14.689 15.761 -23.676 1.00 0.00 N ATOM 1361 NH2 ARG A 85 16.575 16.412 -24.809 1.00 0.00 N ATOM 0 H ARG A 85 16.681 9.865 -21.880 1.00 0.00 H new ATOM 0 HA ARG A 85 18.508 10.032 -24.050 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.712 12.155 -22.022 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.394 12.436 -23.611 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.400 11.621 -24.706 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.743 11.016 -23.198 1.00 0.00 H new ATOM 0 HD2 ARG A 85 14.647 13.114 -23.735 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.647 13.351 -22.315 1.00 0.00 H new ATOM 0 HE ARG A 85 17.295 14.057 -24.461 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.152 15.041 -23.193 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.310 16.703 -23.770 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.492 16.194 -25.199 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.193 17.353 -24.901 1.00 0.00 H new ATOM 1375 N ASP A 86 19.774 9.887 -21.111 1.00 0.00 N ATOM 1376 CA ASP A 86 21.012 9.862 -20.341 1.00 0.00 C ATOM 1377 C ASP A 86 21.724 8.522 -20.500 1.00 0.00 C ATOM 1378 O ASP A 86 22.808 8.449 -21.077 1.00 0.00 O ATOM 1379 CB ASP A 86 20.724 10.129 -18.863 1.00 0.00 C ATOM 1380 CG ASP A 86 20.689 11.609 -18.537 1.00 0.00 C ATOM 1381 OD1 ASP A 86 19.713 12.281 -18.933 1.00 0.00 O ATOM 1382 OD2 ASP A 86 21.637 12.096 -17.887 1.00 0.00 O ATOM 0 H ASP A 86 18.972 9.475 -20.634 1.00 0.00 H new ATOM 0 HA ASP A 86 21.665 10.647 -20.723 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.768 9.678 -18.595 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.487 9.644 -18.254 1.00 0.00 H new ATOM 1387 N ALA A 87 21.106 7.465 -19.982 1.00 0.00 N ATOM 1388 CA ALA A 87 21.680 6.128 -20.067 1.00 0.00 C ATOM 1389 C ALA A 87 21.559 5.568 -21.481 1.00 0.00 C ATOM 1390 O ALA A 87 22.545 5.121 -22.068 1.00 0.00 O ATOM 1391 CB ALA A 87 21.004 5.199 -19.070 1.00 0.00 C ATOM 0 H ALA A 87 20.208 7.509 -19.499 1.00 0.00 H new ATOM 0 HA ALA A 87 22.740 6.198 -19.821 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.443 4.204 -19.145 1.00 0.00 H new ATOM 0 HB2 ALA A 87 21.146 5.584 -18.060 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.938 5.143 -19.290 1.00 0.00 H new ATOM 1397 N HIS A 88 20.345 5.594 -22.021 1.00 0.00 N ATOM 1398 CA HIS A 88 20.096 5.088 -23.366 1.00 0.00 C ATOM 1399 C HIS A 88 20.225 6.204 -24.399 1.00 0.00 C ATOM 1400 O HIS A 88 19.507 6.224 -25.398 1.00 0.00 O ATOM 1401 CB HIS A 88 18.705 4.460 -23.448 1.00 0.00 C ATOM 1402 CG HIS A 88 18.427 3.474 -22.355 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.256 2.409 -22.074 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.406 3.398 -21.470 1.00 0.00 C ATOM 1405 CE1 HIS A 88 18.756 1.719 -21.064 1.00 0.00 C ATOM 1406 NE2 HIS A 88 17.633 2.299 -20.679 1.00 0.00 N ATOM 0 H HIS A 88 19.519 5.960 -21.548 1.00 0.00 H new ATOM 0 HA HIS A 88 20.844 4.326 -23.585 1.00 0.00 H new ATOM 0 HB2 HIS A 88 17.956 5.251 -23.412 1.00 0.00 H new ATOM 0 HB3 HIS A 88 18.597 3.962 -24.411 1.00 0.00 H new ATOM 0 HD2 HIS A 88 16.568 4.076 -21.399 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.191 0.832 -20.628 1.00 0.00 H new ATOM 0 HE2 HIS A 88 17.032 1.982 -19.918 1.00 0.00 H new ATOM 1414 N ASP A 89 21.143 7.131 -24.149 1.00 0.00 N ATOM 1415 CA ASP A 89 21.366 8.250 -25.057 1.00 0.00 C ATOM 1416 C ASP A 89 21.697 7.754 -26.461 1.00 0.00 C ATOM 1417 O ASP A 89 22.757 7.177 -26.708 1.00 0.00 O ATOM 1418 CB ASP A 89 22.497 9.139 -24.537 1.00 0.00 C ATOM 1419 CG ASP A 89 23.825 8.410 -24.476 1.00 0.00 C ATOM 1420 OD1 ASP A 89 24.513 8.343 -25.515 1.00 0.00 O ATOM 1421 OD2 ASP A 89 24.176 7.906 -23.388 1.00 0.00 O ATOM 0 H ASP A 89 21.745 7.130 -23.325 1.00 0.00 H new ATOM 0 HA ASP A 89 20.447 8.835 -25.105 1.00 0.00 H new ATOM 0 HB2 ASP A 89 22.595 10.012 -25.182 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.240 9.504 -23.543 1.00 0.00 H new