USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=25 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 -16:sc= -0.908 USER MOD Set 1.2: A 70 CYS SG : rot -50:sc= -1.11 USER MOD Set 1.3: A 74 TYR OH : rot 27:sc= 0.208 USER MOD Set 1.4: A 83 HIS : no HE2:sc= 0.0281 K(o=-1.7,f=-3.9) USER MOD Set 1.5: A 88 HIS : no HD1:sc= 0.0929 K(o=-1.7,f=-2.8) USER MOD Set 2.1: A 46 CYS SG : rot 180:sc= 0.206 USER MOD Set 2.2: A 48 SER OG : rot 151:sc= 0.336 USER MOD Set 2.3: A 51 HIS : no HD1:sc= 0.502 K(o=1,f=-1.8) USER MOD Set 3.1: A 36 LYS NZ :NH3+ 169:sc= -1.09 (180deg=-1.26) USER MOD Set 3.2: A 45 THR OG1 : rot -170:sc= 0 USER MOD Set 4.1: A 39 CYS SG : rot 173:sc= -0.364 USER MOD Set 4.2: A 42 CYS SG : rot -37:sc= -1.75 USER MOD Set 4.3: A 55 HIS : no HE2:sc= -0.136 K(o=-2.4,f=-6.5) USER MOD Set 4.4: A 60 HIS : no HD1:sc= -0.179 K(o=-2.4,f=-7.1!) USER MOD Set 5.1: A 17 TYR OH : rot 180:sc= -0.183 USER MOD Set 5.2: A 19 SER OG : rot 120:sc= -0.383 USER MOD Set 5.3: A 24 ASN : amide:sc= 0 X(o=-0.57,f=-0.57) USER MOD Set 6.1: A 12 CYS SG : rot -159:sc= 0.297 USER MOD Set 6.2: A 15 CYS SG : rot -161:sc= -4.35! USER MOD Set 6.3: A 28 HIS : no HD1:sc= -18.4! C(o=-25!,f=-32!) USER MOD Set 6.4: A 32 HIS : no HE2:sc= -2.54! K(o=-25!,f=-26) USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.061) 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 14 GLN : amide:sc= -3.73! C(o=-3.7!,f=-4.9!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.15) 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 -51:sc= 0.931 USER MOD Single : A 49 LYS NZ :NH3+ -118:sc= 1.21 (180deg=-0.0319) USER MOD Single : A 53 LYS NZ :NH3+ -141:sc= -0.0578 (180deg=-0.763) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.21 K(o=-1.2,f=-5.1!) USER MOD Single : A 66 HIS : no HD1:sc= -0.0403 K(o=-0.04,f=-1.4) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0297) USER MOD Single : A 79 ASN : amide:sc= -6.81! C(o=-6.8!,f=-21!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -1.579 -8.154 -56.608 1.00 0.00 N ATOM 67 CA LYS A 8 -2.222 -6.924 -56.163 1.00 0.00 C ATOM 68 C LYS A 8 -2.761 -6.131 -57.350 1.00 0.00 C ATOM 69 O LYS A 8 -2.214 -5.099 -57.739 1.00 0.00 O ATOM 70 CB LYS A 8 -1.234 -6.065 -55.370 1.00 0.00 C ATOM 71 CG LYS A 8 -0.661 -6.767 -54.151 1.00 0.00 C ATOM 72 CD LYS A 8 0.698 -6.203 -53.771 1.00 0.00 C ATOM 73 CE LYS A 8 1.371 -7.046 -52.699 1.00 0.00 C ATOM 74 NZ LYS A 8 0.568 -7.094 -51.445 1.00 0.00 N ATOM 0 HA LYS A 8 -3.058 -7.194 -55.518 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.416 -5.768 -56.026 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.735 -5.151 -55.051 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.348 -6.660 -53.312 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.569 -7.834 -54.354 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.335 -6.159 -54.654 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.581 -5.181 -53.411 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.520 -8.059 -53.074 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.358 -6.638 -52.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.099 -7.607 -50.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.375 -6.125 -51.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.331 -7.584 -51.627 1.00 0.00 H new ATOM 88 N PRO A 9 -3.861 -6.623 -57.941 1.00 0.00 N ATOM 89 CA PRO A 9 -4.498 -5.975 -59.091 1.00 0.00 C ATOM 90 C PRO A 9 -5.169 -4.658 -58.716 1.00 0.00 C ATOM 91 O PRO A 9 -5.186 -3.712 -59.504 1.00 0.00 O ATOM 92 CB PRO A 9 -5.544 -6.999 -59.540 1.00 0.00 C ATOM 93 CG PRO A 9 -5.847 -7.792 -58.316 1.00 0.00 C ATOM 94 CD PRO A 9 -4.566 -7.849 -57.531 1.00 0.00 C ATOM 0 HA PRO A 9 -3.775 -5.716 -59.865 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.438 -6.509 -59.926 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.159 -7.634 -60.338 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.641 -7.323 -57.734 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.191 -8.793 -58.575 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.753 -7.865 -56.457 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.989 -8.743 -57.768 1.00 0.00 H new ATOM 102 N TYR A 10 -5.721 -4.604 -57.508 1.00 0.00 N ATOM 103 CA TYR A 10 -6.395 -3.403 -57.030 1.00 0.00 C ATOM 104 C TYR A 10 -5.402 -2.262 -56.833 1.00 0.00 C ATOM 105 O TYR A 10 -4.455 -2.374 -56.055 1.00 0.00 O ATOM 106 CB TYR A 10 -7.124 -3.691 -55.716 1.00 0.00 C ATOM 107 CG TYR A 10 -8.111 -4.833 -55.809 1.00 0.00 C ATOM 108 CD1 TYR A 10 -7.680 -6.153 -55.782 1.00 0.00 C ATOM 109 CD2 TYR A 10 -9.474 -4.591 -55.925 1.00 0.00 C ATOM 110 CE1 TYR A 10 -8.577 -7.200 -55.868 1.00 0.00 C ATOM 111 CE2 TYR A 10 -10.379 -5.632 -56.010 1.00 0.00 C ATOM 112 CZ TYR A 10 -9.926 -6.934 -55.981 1.00 0.00 C ATOM 113 OH TYR A 10 -10.824 -7.973 -56.066 1.00 0.00 O ATOM 0 H TYR A 10 -5.715 -5.377 -56.843 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.122 -3.101 -57.784 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -6.389 -3.919 -54.945 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.651 -2.791 -55.398 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.625 -6.365 -55.692 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.832 -3.572 -55.949 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.224 -8.221 -55.847 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.436 -5.427 -56.099 1.00 0.00 H new ATOM 0 HH TYR A 10 -11.733 -7.614 -56.140 1.00 0.00 H new ATOM 123 N LYS A 11 -5.625 -1.162 -57.545 1.00 0.00 N ATOM 124 CA LYS A 11 -4.753 0.002 -57.450 1.00 0.00 C ATOM 125 C LYS A 11 -5.473 1.169 -56.782 1.00 0.00 C ATOM 126 O LYS A 11 -6.696 1.288 -56.869 1.00 0.00 O ATOM 127 CB LYS A 11 -4.268 0.417 -58.841 1.00 0.00 C ATOM 128 CG LYS A 11 -3.634 -0.717 -59.628 1.00 0.00 C ATOM 129 CD LYS A 11 -2.277 -1.098 -59.061 1.00 0.00 C ATOM 130 CE LYS A 11 -1.348 -1.623 -60.146 1.00 0.00 C ATOM 131 NZ LYS A 11 0.081 -1.340 -59.836 1.00 0.00 N ATOM 0 H LYS A 11 -6.404 -1.053 -58.195 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.893 -0.269 -56.838 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.111 0.814 -59.407 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.544 1.225 -58.738 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.293 -1.585 -59.612 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.523 -0.420 -60.671 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.825 -0.230 -58.582 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.404 -1.858 -58.290 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.490 -2.698 -60.257 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.610 -1.167 -61.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.682 -1.713 -60.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.222 -0.313 -59.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.338 -1.796 -58.938 1.00 0.00 H new ATOM 145 N CYS A 12 -4.708 2.028 -56.116 1.00 0.00 N ATOM 146 CA CYS A 12 -5.273 3.186 -55.434 1.00 0.00 C ATOM 147 C CYS A 12 -5.415 4.365 -56.392 1.00 0.00 C ATOM 148 O CYS A 12 -4.445 4.828 -56.994 1.00 0.00 O ATOM 149 CB CYS A 12 -4.395 3.582 -54.246 1.00 0.00 C ATOM 150 SG CYS A 12 -5.029 4.999 -53.293 1.00 0.00 S ATOM 0 H CYS A 12 -3.695 1.944 -56.034 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.264 2.915 -55.070 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.296 2.725 -53.580 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.396 3.820 -54.610 1.00 0.00 H new ATOM 0 HG CYS A 12 -4.057 5.540 -52.621 1.00 0.00 H new ATOM 155 N PRO A 13 -6.651 4.864 -56.537 1.00 0.00 N ATOM 156 CA PRO A 13 -6.949 5.996 -57.419 1.00 0.00 C ATOM 157 C PRO A 13 -6.376 7.308 -56.893 1.00 0.00 C ATOM 158 O PRO A 13 -6.552 8.361 -57.505 1.00 0.00 O ATOM 159 CB PRO A 13 -8.479 6.047 -57.427 1.00 0.00 C ATOM 160 CG PRO A 13 -8.886 5.416 -56.140 1.00 0.00 C ATOM 161 CD PRO A 13 -7.853 4.362 -55.851 1.00 0.00 C ATOM 0 HA PRO A 13 -6.508 5.869 -58.407 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.841 7.073 -57.497 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.889 5.506 -58.280 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.925 6.154 -55.339 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.881 4.977 -56.218 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.686 4.247 -54.780 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.156 3.387 -56.233 1.00 0.00 H new ATOM 169 N GLN A 14 -5.691 7.235 -55.757 1.00 0.00 N ATOM 170 CA GLN A 14 -5.092 8.418 -55.149 1.00 0.00 C ATOM 171 C GLN A 14 -3.570 8.344 -55.200 1.00 0.00 C ATOM 172 O GLN A 14 -2.891 9.368 -55.287 1.00 0.00 O ATOM 173 CB GLN A 14 -5.560 8.565 -53.700 1.00 0.00 C ATOM 174 CG GLN A 14 -7.072 8.598 -53.549 1.00 0.00 C ATOM 175 CD GLN A 14 -7.516 9.273 -52.266 1.00 0.00 C ATOM 176 OE1 GLN A 14 -8.113 8.642 -51.394 1.00 0.00 O ATOM 177 NE2 GLN A 14 -7.226 10.563 -52.145 1.00 0.00 N ATOM 0 H GLN A 14 -5.537 6.370 -55.239 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.414 9.291 -55.717 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.163 7.737 -53.113 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.142 9.481 -53.283 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.507 9.122 -54.400 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.458 7.579 -53.571 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.729 11.046 -52.893 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.500 11.071 -51.304 1.00 0.00 H new ATOM 186 N CYS A 15 -3.039 7.128 -55.143 1.00 0.00 N ATOM 187 CA CYS A 15 -1.597 6.920 -55.181 1.00 0.00 C ATOM 188 C CYS A 15 -1.254 5.615 -55.895 1.00 0.00 C ATOM 189 O CYS A 15 -2.133 4.937 -56.428 1.00 0.00 O ATOM 190 CB CYS A 15 -1.025 6.903 -53.763 1.00 0.00 C ATOM 191 SG CYS A 15 -1.090 5.273 -52.953 1.00 0.00 S ATOM 0 H CYS A 15 -3.587 6.270 -55.070 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.151 7.746 -55.735 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.012 7.239 -53.797 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.573 7.622 -53.153 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.971 5.422 -51.667 1.00 0.00 H new ATOM 196 N SER A 16 0.029 5.269 -55.900 1.00 0.00 N ATOM 197 CA SER A 16 0.489 4.047 -56.550 1.00 0.00 C ATOM 198 C SER A 16 0.411 2.861 -55.594 1.00 0.00 C ATOM 199 O SER A 16 1.260 1.969 -55.623 1.00 0.00 O ATOM 200 CB SER A 16 1.925 4.220 -57.050 1.00 0.00 C ATOM 201 OG SER A 16 2.034 5.343 -57.908 1.00 0.00 O ATOM 0 H SER A 16 0.769 5.817 -55.461 1.00 0.00 H new ATOM 0 HA SER A 16 -0.163 3.849 -57.401 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.597 4.341 -56.201 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.240 3.321 -57.580 1.00 0.00 H new ATOM 0 HG SER A 16 2.961 5.433 -58.213 1.00 0.00 H new ATOM 207 N TYR A 17 -0.613 2.857 -54.748 1.00 0.00 N ATOM 208 CA TYR A 17 -0.802 1.782 -53.781 1.00 0.00 C ATOM 209 C TYR A 17 -1.638 0.654 -54.378 1.00 0.00 C ATOM 210 O TYR A 17 -2.439 0.873 -55.286 1.00 0.00 O ATOM 211 CB TYR A 17 -1.476 2.318 -52.517 1.00 0.00 C ATOM 212 CG TYR A 17 -2.004 1.232 -51.606 1.00 0.00 C ATOM 213 CD1 TYR A 17 -3.270 0.693 -51.797 1.00 0.00 C ATOM 214 CD2 TYR A 17 -1.236 0.746 -50.555 1.00 0.00 C ATOM 215 CE1 TYR A 17 -3.756 -0.298 -50.967 1.00 0.00 C ATOM 216 CE2 TYR A 17 -1.714 -0.246 -49.721 1.00 0.00 C ATOM 217 CZ TYR A 17 -2.975 -0.764 -49.930 1.00 0.00 C ATOM 218 OH TYR A 17 -3.455 -1.752 -49.102 1.00 0.00 O ATOM 0 H TYR A 17 -1.325 3.586 -54.712 1.00 0.00 H new ATOM 0 HA TYR A 17 0.179 1.384 -53.521 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.761 2.928 -51.965 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.299 2.972 -52.804 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.884 1.055 -52.608 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.249 1.151 -50.387 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.743 -0.706 -51.129 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.104 -0.614 -48.910 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.781 -1.967 -48.424 1.00 0.00 H new ATOM 228 N ALA A 18 -1.445 -0.555 -53.859 1.00 0.00 N ATOM 229 CA ALA A 18 -2.182 -1.718 -54.337 1.00 0.00 C ATOM 230 C ALA A 18 -2.271 -2.792 -53.259 1.00 0.00 C ATOM 231 O ALA A 18 -1.464 -2.821 -52.329 1.00 0.00 O ATOM 232 CB ALA A 18 -1.528 -2.278 -55.591 1.00 0.00 C ATOM 0 H ALA A 18 -0.784 -0.754 -53.108 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.196 -1.400 -54.581 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.089 -3.146 -55.937 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.522 -1.516 -56.370 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.503 -2.574 -55.366 1.00 0.00 H new ATOM 238 N SER A 19 -3.257 -3.674 -53.388 1.00 0.00 N ATOM 239 CA SER A 19 -3.454 -4.748 -52.422 1.00 0.00 C ATOM 240 C SER A 19 -4.239 -5.900 -53.043 1.00 0.00 C ATOM 241 O SER A 19 -5.270 -5.690 -53.681 1.00 0.00 O ATOM 242 CB SER A 19 -4.189 -4.223 -51.187 1.00 0.00 C ATOM 243 OG SER A 19 -3.853 -4.978 -50.035 1.00 0.00 O ATOM 0 H SER A 19 -3.932 -3.666 -54.153 1.00 0.00 H new ATOM 0 HA SER A 19 -2.474 -5.119 -52.123 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.934 -3.175 -51.026 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.265 -4.268 -51.354 1.00 0.00 H new ATOM 0 HG SER A 19 -3.446 -4.389 -49.365 1.00 0.00 H new ATOM 249 N ALA A 20 -3.742 -7.117 -52.850 1.00 0.00 N ATOM 250 CA ALA A 20 -4.396 -8.304 -53.389 1.00 0.00 C ATOM 251 C ALA A 20 -5.848 -8.387 -52.928 1.00 0.00 C ATOM 252 O ALA A 20 -6.674 -9.042 -53.564 1.00 0.00 O ATOM 253 CB ALA A 20 -3.638 -9.557 -52.978 1.00 0.00 C ATOM 0 H ALA A 20 -2.889 -7.307 -52.325 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.390 -8.230 -54.476 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.137 -10.435 -53.387 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.619 -9.508 -53.361 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.614 -9.627 -51.891 1.00 0.00 H new ATOM 259 N ILE A 21 -6.151 -7.720 -51.820 1.00 0.00 N ATOM 260 CA ILE A 21 -7.503 -7.718 -51.275 1.00 0.00 C ATOM 261 C ILE A 21 -8.236 -6.428 -51.626 1.00 0.00 C ATOM 262 O ILE A 21 -7.625 -5.365 -51.738 1.00 0.00 O ATOM 263 CB ILE A 21 -7.494 -7.890 -49.745 1.00 0.00 C ATOM 264 CG1 ILE A 21 -6.794 -9.196 -49.361 1.00 0.00 C ATOM 265 CG2 ILE A 21 -8.914 -7.864 -49.200 1.00 0.00 C ATOM 266 CD1 ILE A 21 -5.319 -9.027 -49.069 1.00 0.00 C ATOM 0 H ILE A 21 -5.478 -7.174 -51.282 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.025 -8.563 -51.724 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.942 -7.060 -49.304 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.284 -9.617 -48.483 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.916 -9.916 -50.170 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.890 -7.987 -48.117 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.381 -6.911 -49.447 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -9.489 -8.676 -49.645 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.888 -9.992 -48.804 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.816 -8.635 -49.953 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.190 -8.332 -48.240 1.00 0.00 H new ATOM 278 N LYS A 22 -9.550 -6.528 -51.798 1.00 0.00 N ATOM 279 CA LYS A 22 -10.368 -5.369 -52.133 1.00 0.00 C ATOM 280 C LYS A 22 -10.547 -4.461 -50.921 1.00 0.00 C ATOM 281 O LYS A 22 -10.464 -3.238 -51.032 1.00 0.00 O ATOM 282 CB LYS A 22 -11.736 -5.818 -52.653 1.00 0.00 C ATOM 283 CG LYS A 22 -12.795 -4.732 -52.595 1.00 0.00 C ATOM 284 CD LYS A 22 -12.629 -3.730 -53.725 1.00 0.00 C ATOM 285 CE LYS A 22 -13.453 -4.121 -54.942 1.00 0.00 C ATOM 286 NZ LYS A 22 -13.200 -3.216 -56.098 1.00 0.00 N ATOM 0 H LYS A 22 -10.071 -7.401 -51.711 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.855 -4.807 -52.914 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.630 -6.156 -53.684 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.074 -6.675 -52.070 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.785 -5.185 -52.651 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.735 -4.215 -51.637 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.931 -2.740 -53.382 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.577 -3.664 -54.002 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.217 -5.147 -55.226 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.512 -4.096 -54.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.780 -3.516 -56.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.449 -2.241 -55.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.194 -3.259 -56.359 1.00 0.00 H new ATOM 300 N ALA A 23 -10.792 -5.067 -49.763 1.00 0.00 N ATOM 301 CA ALA A 23 -10.979 -4.312 -48.531 1.00 0.00 C ATOM 302 C ALA A 23 -9.785 -3.404 -48.256 1.00 0.00 C ATOM 303 O ALA A 23 -9.946 -2.211 -48.004 1.00 0.00 O ATOM 304 CB ALA A 23 -11.204 -5.259 -47.361 1.00 0.00 C ATOM 0 H ALA A 23 -10.865 -6.078 -49.653 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.861 -3.682 -48.651 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.342 -4.682 -46.447 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.093 -5.862 -47.547 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.339 -5.912 -47.250 1.00 0.00 H new ATOM 310 N ASN A 24 -8.587 -3.978 -48.307 1.00 0.00 N ATOM 311 CA ASN A 24 -7.365 -3.220 -48.063 1.00 0.00 C ATOM 312 C ASN A 24 -7.388 -1.894 -48.817 1.00 0.00 C ATOM 313 O ASN A 24 -6.961 -0.863 -48.295 1.00 0.00 O ATOM 314 CB ASN A 24 -6.141 -4.037 -48.481 1.00 0.00 C ATOM 315 CG ASN A 24 -5.571 -4.851 -47.337 1.00 0.00 C ATOM 316 OD1 ASN A 24 -4.471 -4.580 -46.854 1.00 0.00 O ATOM 317 ND2 ASN A 24 -6.318 -5.857 -46.897 1.00 0.00 N ATOM 0 H ASN A 24 -8.437 -4.965 -48.515 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.305 -3.009 -46.995 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.415 -4.705 -49.297 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.373 -3.365 -48.863 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.986 -6.441 -46.129 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.224 -6.046 -47.327 1.00 0.00 H new ATOM 324 N LEU A 25 -7.889 -1.928 -50.047 1.00 0.00 N ATOM 325 CA LEU A 25 -7.968 -0.728 -50.874 1.00 0.00 C ATOM 326 C LEU A 25 -8.885 0.311 -50.239 1.00 0.00 C ATOM 327 O LEU A 25 -8.633 1.512 -50.326 1.00 0.00 O ATOM 328 CB LEU A 25 -8.473 -1.083 -52.274 1.00 0.00 C ATOM 329 CG LEU A 25 -8.530 0.068 -53.278 1.00 0.00 C ATOM 330 CD1 LEU A 25 -7.159 0.708 -53.436 1.00 0.00 C ATOM 331 CD2 LEU A 25 -9.049 -0.421 -54.622 1.00 0.00 C ATOM 0 H LEU A 25 -8.246 -2.772 -50.494 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.967 -0.303 -50.952 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.832 -1.864 -52.683 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.473 -1.508 -52.181 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.219 0.822 -52.897 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.220 1.525 -54.155 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.825 1.095 -52.473 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.449 -0.037 -53.793 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.083 0.412 -55.324 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.386 -1.195 -55.009 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.051 -0.831 -54.498 1.00 0.00 H new ATOM 343 N ASN A 26 -9.950 -0.159 -49.597 1.00 0.00 N ATOM 344 CA ASN A 26 -10.905 0.730 -48.945 1.00 0.00 C ATOM 345 C ASN A 26 -10.279 1.398 -47.725 1.00 0.00 C ATOM 346 O ASN A 26 -10.423 2.604 -47.521 1.00 0.00 O ATOM 347 CB ASN A 26 -12.156 -0.046 -48.530 1.00 0.00 C ATOM 348 CG ASN A 26 -12.947 -0.547 -49.723 1.00 0.00 C ATOM 349 OD1 ASN A 26 -13.952 0.049 -50.110 1.00 0.00 O ATOM 350 ND2 ASN A 26 -12.496 -1.649 -50.312 1.00 0.00 N ATOM 0 H ASN A 26 -10.173 -1.151 -49.514 1.00 0.00 H new ATOM 0 HA ASN A 26 -11.187 1.505 -49.658 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -11.865 -0.893 -47.908 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -12.792 0.595 -47.919 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -12.987 -2.034 -51.119 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -11.658 -2.111 -49.957 1.00 0.00 H new ATOM 357 N VAL A 27 -9.584 0.606 -46.915 1.00 0.00 N ATOM 358 CA VAL A 27 -8.934 1.121 -45.715 1.00 0.00 C ATOM 359 C VAL A 27 -7.739 1.998 -46.070 1.00 0.00 C ATOM 360 O VAL A 27 -7.511 3.036 -45.447 1.00 0.00 O ATOM 361 CB VAL A 27 -8.462 -0.023 -44.798 1.00 0.00 C ATOM 362 CG1 VAL A 27 -7.009 -0.372 -45.083 1.00 0.00 C ATOM 363 CG2 VAL A 27 -8.652 0.353 -43.336 1.00 0.00 C ATOM 0 H VAL A 27 -9.456 -0.394 -47.068 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.676 1.719 -45.186 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.069 -0.904 -45.005 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.694 -1.182 -44.425 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.907 -0.687 -46.121 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.383 0.503 -44.907 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.313 -0.467 -42.702 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.072 1.248 -43.112 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.707 0.547 -43.144 1.00 0.00 H new ATOM 373 N HIS A 28 -6.979 1.576 -47.075 1.00 0.00 N ATOM 374 CA HIS A 28 -5.807 2.324 -47.515 1.00 0.00 C ATOM 375 C HIS A 28 -6.197 3.730 -47.962 1.00 0.00 C ATOM 376 O HIS A 28 -5.442 4.685 -47.770 1.00 0.00 O ATOM 377 CB HIS A 28 -5.105 1.589 -48.657 1.00 0.00 C ATOM 378 CG HIS A 28 -4.054 2.409 -49.340 1.00 0.00 C ATOM 379 ND1 HIS A 28 -2.735 2.425 -48.940 1.00 0.00 N ATOM 380 CD2 HIS A 28 -4.133 3.242 -50.403 1.00 0.00 C ATOM 381 CE1 HIS A 28 -2.048 3.234 -49.726 1.00 0.00 C ATOM 382 NE2 HIS A 28 -2.873 3.743 -50.623 1.00 0.00 N ATOM 0 H HIS A 28 -7.154 0.719 -47.600 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.121 2.407 -46.672 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.648 0.680 -48.266 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.849 1.281 -49.392 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.022 3.471 -50.973 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -0.991 3.444 -49.648 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -2.616 4.401 -51.359 1.00 0.00 H new ATOM 390 N LEU A 29 -7.377 3.850 -48.558 1.00 0.00 N ATOM 391 CA LEU A 29 -7.867 5.140 -49.033 1.00 0.00 C ATOM 392 C LEU A 29 -8.178 6.069 -47.864 1.00 0.00 C ATOM 393 O LEU A 29 -8.097 7.290 -47.991 1.00 0.00 O ATOM 394 CB LEU A 29 -9.118 4.947 -49.893 1.00 0.00 C ATOM 395 CG LEU A 29 -8.902 4.278 -51.251 1.00 0.00 C ATOM 396 CD1 LEU A 29 -10.194 3.647 -51.746 1.00 0.00 C ATOM 397 CD2 LEU A 29 -8.376 5.284 -52.264 1.00 0.00 C ATOM 0 H LEU A 29 -8.013 3.070 -48.724 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.084 5.598 -49.638 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.835 4.352 -49.327 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.574 5.923 -50.060 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.158 3.490 -51.132 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.021 3.176 -52.714 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.529 2.896 -51.031 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.959 4.417 -51.849 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.228 4.790 -53.224 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.096 6.094 -52.380 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.426 5.689 -51.915 1.00 0.00 H new ATOM 409 N ARG A 30 -8.531 5.481 -46.726 1.00 0.00 N ATOM 410 CA ARG A 30 -8.852 6.256 -45.533 1.00 0.00 C ATOM 411 C ARG A 30 -7.713 7.207 -45.180 1.00 0.00 C ATOM 412 O ARG A 30 -7.944 8.347 -44.774 1.00 0.00 O ATOM 413 CB ARG A 30 -9.137 5.323 -44.354 1.00 0.00 C ATOM 414 CG ARG A 30 -10.376 4.463 -44.544 1.00 0.00 C ATOM 415 CD ARG A 30 -10.545 3.472 -43.403 1.00 0.00 C ATOM 416 NE ARG A 30 -11.714 2.617 -43.590 1.00 0.00 N ATOM 417 CZ ARG A 30 -12.950 2.981 -43.268 1.00 0.00 C ATOM 418 NH1 ARG A 30 -13.177 4.179 -42.745 1.00 0.00 N ATOM 419 NH2 ARG A 30 -13.963 2.147 -43.468 1.00 0.00 N ATOM 0 H ARG A 30 -8.602 4.471 -46.605 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.743 6.847 -45.743 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.275 4.674 -44.198 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.254 5.920 -43.449 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.257 5.101 -44.607 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.305 3.924 -45.489 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.651 2.853 -43.325 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.639 4.015 -42.462 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.574 1.689 -43.990 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.401 4.823 -42.589 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.127 4.456 -42.499 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.793 1.225 -43.870 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.912 2.428 -43.220 1.00 0.00 H new ATOM 433 N LYS A 31 -6.482 6.731 -45.335 1.00 0.00 N ATOM 434 CA LYS A 31 -5.305 7.538 -45.033 1.00 0.00 C ATOM 435 C LYS A 31 -5.268 8.791 -45.901 1.00 0.00 C ATOM 436 O LYS A 31 -4.861 9.861 -45.447 1.00 0.00 O ATOM 437 CB LYS A 31 -4.031 6.718 -45.247 1.00 0.00 C ATOM 438 CG LYS A 31 -4.076 5.345 -44.600 1.00 0.00 C ATOM 439 CD LYS A 31 -2.735 4.636 -44.701 1.00 0.00 C ATOM 440 CE LYS A 31 -2.902 3.125 -44.701 1.00 0.00 C ATOM 441 NZ LYS A 31 -1.616 2.425 -44.972 1.00 0.00 N ATOM 0 H LYS A 31 -6.273 5.790 -45.668 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.362 7.843 -43.988 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.860 6.601 -46.317 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.181 7.271 -44.847 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.358 5.445 -43.552 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.845 4.740 -45.081 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.226 4.947 -45.613 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.101 4.933 -43.865 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.295 2.803 -43.736 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.636 2.841 -45.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.772 1.397 -44.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.254 2.713 -45.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.923 2.676 -44.238 1.00 0.00 H new ATOM 455 N HIS A 32 -5.696 8.652 -47.152 1.00 0.00 N ATOM 456 CA HIS A 32 -5.714 9.775 -48.083 1.00 0.00 C ATOM 457 C HIS A 32 -6.715 10.836 -47.637 1.00 0.00 C ATOM 458 O HIS A 32 -6.640 11.992 -48.056 1.00 0.00 O ATOM 459 CB HIS A 32 -6.060 9.291 -49.492 1.00 0.00 C ATOM 460 CG HIS A 32 -4.929 8.588 -50.178 1.00 0.00 C ATOM 461 ND1 HIS A 32 -3.669 9.133 -50.305 1.00 0.00 N ATOM 462 CD2 HIS A 32 -4.874 7.375 -50.776 1.00 0.00 C ATOM 463 CE1 HIS A 32 -2.888 8.287 -50.952 1.00 0.00 C ATOM 464 NE2 HIS A 32 -3.595 7.212 -51.249 1.00 0.00 N ATOM 0 H HIS A 32 -6.035 7.773 -47.544 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.720 10.221 -48.094 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.915 8.618 -49.436 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.366 10.145 -50.096 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -3.384 10.047 -49.954 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.685 6.667 -50.865 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -1.848 8.447 -51.196 1.00 0.00 H new ATOM 508 N LYS A 36 -4.980 8.033 -39.350 1.00 0.00 N ATOM 509 CA LYS A 36 -5.209 7.048 -38.299 1.00 0.00 C ATOM 510 C LYS A 36 -4.157 7.168 -37.202 1.00 0.00 C ATOM 511 O LYS A 36 -3.073 6.592 -37.302 1.00 0.00 O ATOM 512 CB LYS A 36 -5.193 5.634 -38.885 1.00 0.00 C ATOM 513 CG LYS A 36 -6.499 5.236 -39.551 1.00 0.00 C ATOM 514 CD LYS A 36 -7.346 4.363 -38.640 1.00 0.00 C ATOM 515 CE LYS A 36 -7.804 5.126 -37.406 1.00 0.00 C ATOM 516 NZ LYS A 36 -8.871 4.395 -36.668 1.00 0.00 N ATOM 0 HA LYS A 36 -6.188 7.242 -37.861 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.386 5.561 -39.614 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.969 4.923 -38.090 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.058 6.132 -39.821 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.288 4.700 -40.477 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.215 3.999 -39.188 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.772 3.488 -38.336 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.953 5.292 -36.745 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.174 6.108 -37.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.026 4.846 -35.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.753 4.421 -37.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.580 3.407 -36.526 1.00 0.00 H new ATOM 530 N PHE A 37 -4.483 7.918 -36.155 1.00 0.00 N ATOM 531 CA PHE A 37 -3.565 8.112 -35.038 1.00 0.00 C ATOM 532 C PHE A 37 -3.734 7.010 -33.997 1.00 0.00 C ATOM 533 O PHE A 37 -4.551 7.124 -33.084 1.00 0.00 O ATOM 534 CB PHE A 37 -3.796 9.480 -34.392 1.00 0.00 C ATOM 535 CG PHE A 37 -3.973 10.591 -35.388 1.00 0.00 C ATOM 536 CD1 PHE A 37 -5.191 10.789 -36.016 1.00 0.00 C ATOM 537 CD2 PHE A 37 -2.919 11.437 -35.695 1.00 0.00 C ATOM 538 CE1 PHE A 37 -5.357 11.810 -36.932 1.00 0.00 C ATOM 539 CE2 PHE A 37 -3.079 12.460 -36.610 1.00 0.00 C ATOM 540 CZ PHE A 37 -4.299 12.647 -37.230 1.00 0.00 C ATOM 0 H PHE A 37 -5.376 8.402 -36.056 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.547 8.068 -35.425 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.680 9.428 -33.756 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.951 9.714 -33.744 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.021 10.137 -35.787 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.962 11.295 -35.214 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.313 11.954 -37.414 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.250 13.113 -36.840 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.426 13.446 -37.946 1.00 0.00 H new ATOM 550 N ALA A 38 -2.955 5.943 -34.142 1.00 0.00 N ATOM 551 CA ALA A 38 -3.017 4.820 -33.214 1.00 0.00 C ATOM 552 C ALA A 38 -2.366 5.173 -31.881 1.00 0.00 C ATOM 553 O ALA A 38 -1.446 5.989 -31.825 1.00 0.00 O ATOM 554 CB ALA A 38 -2.350 3.596 -33.821 1.00 0.00 C ATOM 0 H ALA A 38 -2.274 5.833 -34.893 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.067 4.593 -33.027 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.404 2.766 -33.117 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.862 3.323 -34.744 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.306 3.821 -34.038 1.00 0.00 H new ATOM 560 N CYS A 39 -2.850 4.555 -30.809 1.00 0.00 N ATOM 561 CA CYS A 39 -2.317 4.804 -29.475 1.00 0.00 C ATOM 562 C CYS A 39 -1.009 4.048 -29.263 1.00 0.00 C ATOM 563 O CYS A 39 -0.878 2.890 -29.659 1.00 0.00 O ATOM 564 CB CYS A 39 -3.335 4.393 -28.411 1.00 0.00 C ATOM 565 SG CYS A 39 -2.782 4.686 -26.700 1.00 0.00 S ATOM 0 H CYS A 39 -3.612 3.877 -30.838 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.118 5.872 -29.384 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.262 4.940 -28.580 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.563 3.334 -28.531 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.760 4.441 -25.880 1.00 0.00 H new ATOM 570 N ASP A 40 -0.044 4.711 -28.634 1.00 0.00 N ATOM 571 CA ASP A 40 1.254 4.101 -28.367 1.00 0.00 C ATOM 572 C ASP A 40 1.230 3.326 -27.053 1.00 0.00 C ATOM 573 O ASP A 40 2.276 3.027 -26.478 1.00 0.00 O ATOM 574 CB ASP A 40 2.344 5.173 -28.321 1.00 0.00 C ATOM 575 CG ASP A 40 3.716 4.617 -28.651 1.00 0.00 C ATOM 576 OD1 ASP A 40 3.969 3.437 -28.333 1.00 0.00 O ATOM 577 OD2 ASP A 40 4.536 5.363 -29.227 1.00 0.00 O ATOM 0 H ASP A 40 -0.136 5.670 -28.300 1.00 0.00 H new ATOM 0 HA ASP A 40 1.474 3.404 -29.175 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.098 5.968 -29.025 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.366 5.622 -27.328 1.00 0.00 H new ATOM 582 N TYR A 41 0.029 3.005 -26.584 1.00 0.00 N ATOM 583 CA TYR A 41 -0.131 2.267 -25.336 1.00 0.00 C ATOM 584 C TYR A 41 -1.014 1.040 -25.539 1.00 0.00 C ATOM 585 O TYR A 41 -0.803 -0.001 -24.915 1.00 0.00 O ATOM 586 CB TYR A 41 -0.734 3.171 -24.259 1.00 0.00 C ATOM 587 CG TYR A 41 0.099 4.397 -23.961 1.00 0.00 C ATOM 588 CD1 TYR A 41 0.380 5.328 -24.953 1.00 0.00 C ATOM 589 CD2 TYR A 41 0.604 4.625 -22.687 1.00 0.00 C ATOM 590 CE1 TYR A 41 1.142 6.449 -24.686 1.00 0.00 C ATOM 591 CE2 TYR A 41 1.366 5.744 -22.410 1.00 0.00 C ATOM 592 CZ TYR A 41 1.632 6.653 -23.413 1.00 0.00 C ATOM 593 OH TYR A 41 2.390 7.769 -23.142 1.00 0.00 O ATOM 0 H TYR A 41 -0.847 3.244 -27.049 1.00 0.00 H new ATOM 0 HA TYR A 41 0.854 1.933 -25.011 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.728 3.486 -24.576 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.859 2.595 -23.342 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.004 5.173 -25.950 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.397 3.915 -21.899 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.353 7.162 -25.470 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.751 5.906 -21.414 1.00 0.00 H new ATOM 0 HH TYR A 41 2.656 7.763 -22.199 1.00 0.00 H new ATOM 603 N CYS A 42 -2.003 1.169 -26.416 1.00 0.00 N ATOM 604 CA CYS A 42 -2.919 0.072 -26.703 1.00 0.00 C ATOM 605 C CYS A 42 -3.270 0.030 -28.188 1.00 0.00 C ATOM 606 O CYS A 42 -2.728 0.795 -28.986 1.00 0.00 O ATOM 607 CB CYS A 42 -4.195 0.214 -25.870 1.00 0.00 C ATOM 608 SG CYS A 42 -5.224 1.647 -26.324 1.00 0.00 S ATOM 0 H CYS A 42 -2.191 2.023 -26.941 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.422 -0.861 -26.439 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.788 -0.694 -25.976 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.922 0.295 -24.818 1.00 0.00 H new ATOM 0 HG CYS A 42 -4.458 2.652 -26.629 1.00 0.00 H new ATOM 613 N SER A 43 -4.181 -0.867 -28.550 1.00 0.00 N ATOM 614 CA SER A 43 -4.602 -1.011 -29.939 1.00 0.00 C ATOM 615 C SER A 43 -5.681 0.009 -30.288 1.00 0.00 C ATOM 616 O SER A 43 -6.563 -0.258 -31.105 1.00 0.00 O ATOM 617 CB SER A 43 -5.123 -2.428 -30.191 1.00 0.00 C ATOM 618 OG SER A 43 -5.464 -2.610 -31.555 1.00 0.00 O ATOM 0 H SER A 43 -4.642 -1.505 -27.901 1.00 0.00 H new ATOM 0 HA SER A 43 -3.736 -0.830 -30.576 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.364 -3.155 -29.902 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.997 -2.614 -29.566 1.00 0.00 H new ATOM 0 HG SER A 43 -6.055 -1.884 -31.844 1.00 0.00 H new ATOM 624 N PHE A 44 -5.605 1.179 -29.662 1.00 0.00 N ATOM 625 CA PHE A 44 -6.576 2.240 -29.904 1.00 0.00 C ATOM 626 C PHE A 44 -6.210 3.035 -31.154 1.00 0.00 C ATOM 627 O PHE A 44 -5.048 3.081 -31.558 1.00 0.00 O ATOM 628 CB PHE A 44 -6.653 3.175 -28.696 1.00 0.00 C ATOM 629 CG PHE A 44 -7.465 4.414 -28.947 1.00 0.00 C ATOM 630 CD1 PHE A 44 -6.885 5.534 -29.520 1.00 0.00 C ATOM 631 CD2 PHE A 44 -8.808 4.458 -28.609 1.00 0.00 C ATOM 632 CE1 PHE A 44 -7.629 6.675 -29.753 1.00 0.00 C ATOM 633 CE2 PHE A 44 -9.557 5.596 -28.840 1.00 0.00 C ATOM 634 CZ PHE A 44 -8.967 6.706 -29.412 1.00 0.00 C ATOM 0 H PHE A 44 -4.881 1.416 -28.984 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.551 1.778 -30.060 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.083 2.633 -27.854 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.643 3.465 -28.406 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.839 5.515 -29.788 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.274 3.594 -28.160 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.165 7.541 -30.201 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -10.603 5.617 -28.573 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.551 7.597 -29.592 1.00 0.00 H new ATOM 644 N THR A 45 -7.212 3.661 -31.764 1.00 0.00 N ATOM 645 CA THR A 45 -6.999 4.453 -32.968 1.00 0.00 C ATOM 646 C THR A 45 -8.039 5.562 -33.089 1.00 0.00 C ATOM 647 O THR A 45 -9.140 5.454 -32.549 1.00 0.00 O ATOM 648 CB THR A 45 -7.050 3.576 -34.234 1.00 0.00 C ATOM 649 OG1 THR A 45 -8.185 2.705 -34.180 1.00 0.00 O ATOM 650 CG2 THR A 45 -5.779 2.754 -34.374 1.00 0.00 C ATOM 0 H THR A 45 -8.180 3.634 -31.443 1.00 0.00 H new ATOM 0 HA THR A 45 -6.007 4.897 -32.882 1.00 0.00 H new ATOM 0 HB THR A 45 -7.136 4.231 -35.101 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.126 2.046 -34.903 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.838 2.143 -35.275 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.920 3.421 -34.444 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.666 2.107 -33.504 1.00 0.00 H new ATOM 658 N CYS A 46 -7.683 6.625 -33.801 1.00 0.00 N ATOM 659 CA CYS A 46 -8.586 7.754 -33.992 1.00 0.00 C ATOM 660 C CYS A 46 -8.260 8.499 -35.283 1.00 0.00 C ATOM 661 O CYS A 46 -7.323 8.142 -35.998 1.00 0.00 O ATOM 662 CB CYS A 46 -8.501 8.710 -32.802 1.00 0.00 C ATOM 663 SG CYS A 46 -10.025 9.627 -32.480 1.00 0.00 S ATOM 0 H CYS A 46 -6.776 6.729 -34.255 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.602 7.366 -34.064 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -8.237 8.141 -31.911 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -7.693 9.420 -32.977 1.00 0.00 H new ATOM 0 HG CYS A 46 -9.854 10.407 -31.454 1.00 0.00 H new ATOM 669 N LEU A 47 -9.039 9.534 -35.576 1.00 0.00 N ATOM 670 CA LEU A 47 -8.834 10.329 -36.781 1.00 0.00 C ATOM 671 C LEU A 47 -8.458 11.765 -36.430 1.00 0.00 C ATOM 672 O LEU A 47 -8.740 12.694 -37.186 1.00 0.00 O ATOM 673 CB LEU A 47 -10.097 10.317 -37.645 1.00 0.00 C ATOM 674 CG LEU A 47 -10.101 9.333 -38.815 1.00 0.00 C ATOM 675 CD1 LEU A 47 -9.734 7.936 -38.338 1.00 0.00 C ATOM 676 CD2 LEU A 47 -11.459 9.326 -39.500 1.00 0.00 C ATOM 0 H LEU A 47 -9.819 9.842 -34.995 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.012 9.885 -37.343 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.949 10.092 -37.004 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.252 11.321 -38.040 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.353 9.655 -39.539 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.742 7.249 -39.184 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.739 7.953 -37.894 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.458 7.604 -37.594 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.444 8.620 -40.330 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.226 9.029 -38.785 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.682 10.324 -39.876 1.00 0.00 H new ATOM 688 N SER A 48 -7.818 11.938 -35.278 1.00 0.00 N ATOM 689 CA SER A 48 -7.404 13.261 -34.825 1.00 0.00 C ATOM 690 C SER A 48 -6.409 13.155 -33.673 1.00 0.00 C ATOM 691 O SER A 48 -6.779 12.832 -32.544 1.00 0.00 O ATOM 692 CB SER A 48 -8.622 14.078 -34.387 1.00 0.00 C ATOM 693 OG SER A 48 -9.452 13.329 -33.516 1.00 0.00 O ATOM 0 H SER A 48 -7.575 11.179 -34.641 1.00 0.00 H new ATOM 0 HA SER A 48 -6.916 13.766 -35.659 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.292 14.989 -33.887 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.192 14.385 -35.264 1.00 0.00 H new ATOM 0 HG SER A 48 -9.924 13.938 -32.910 1.00 0.00 H new ATOM 699 N LYS A 49 -5.142 13.428 -33.967 1.00 0.00 N ATOM 700 CA LYS A 49 -4.091 13.365 -32.959 1.00 0.00 C ATOM 701 C LYS A 49 -4.543 14.027 -31.661 1.00 0.00 C ATOM 702 O LYS A 49 -4.426 13.445 -30.583 1.00 0.00 O ATOM 703 CB LYS A 49 -2.820 14.044 -33.474 1.00 0.00 C ATOM 704 CG LYS A 49 -3.077 15.371 -34.167 1.00 0.00 C ATOM 705 CD LYS A 49 -2.044 15.646 -35.246 1.00 0.00 C ATOM 706 CE LYS A 49 -2.613 16.521 -36.352 1.00 0.00 C ATOM 707 NZ LYS A 49 -3.387 15.727 -37.346 1.00 0.00 N ATOM 0 H LYS A 49 -4.818 13.695 -34.897 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.878 12.315 -32.757 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.140 14.206 -32.637 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.316 13.373 -34.169 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.073 15.365 -34.609 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.060 16.176 -33.432 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.176 16.135 -34.804 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.698 14.703 -35.669 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.258 17.284 -35.916 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.800 17.042 -36.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.937 15.806 -38.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.406 14.729 -37.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.360 16.091 -37.399 1.00 0.00 H new ATOM 721 N GLY A 50 -5.061 15.246 -31.771 1.00 0.00 N ATOM 722 CA GLY A 50 -5.523 15.965 -30.599 1.00 0.00 C ATOM 723 C GLY A 50 -6.332 15.089 -29.663 1.00 0.00 C ATOM 724 O GLY A 50 -6.111 15.092 -28.452 1.00 0.00 O ATOM 0 H GLY A 50 -5.169 15.749 -32.652 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.664 16.369 -30.062 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.130 16.814 -30.913 1.00 0.00 H new ATOM 728 N HIS A 51 -7.274 14.338 -30.225 1.00 0.00 N ATOM 729 CA HIS A 51 -8.120 13.453 -29.431 1.00 0.00 C ATOM 730 C HIS A 51 -7.316 12.275 -28.889 1.00 0.00 C ATOM 731 O HIS A 51 -7.416 11.933 -27.710 1.00 0.00 O ATOM 732 CB HIS A 51 -9.290 12.943 -30.272 1.00 0.00 C ATOM 733 CG HIS A 51 -10.463 13.874 -30.294 1.00 0.00 C ATOM 734 ND1 HIS A 51 -11.311 13.993 -31.375 1.00 0.00 N ATOM 735 CD2 HIS A 51 -10.929 14.733 -29.357 1.00 0.00 C ATOM 736 CE1 HIS A 51 -12.246 14.885 -31.103 1.00 0.00 C ATOM 737 NE2 HIS A 51 -12.037 15.349 -29.884 1.00 0.00 N ATOM 0 H HIS A 51 -7.471 14.324 -31.226 1.00 0.00 H new ATOM 0 HA HIS A 51 -8.510 14.023 -28.587 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.948 12.779 -31.294 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -9.611 11.976 -29.884 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -10.507 14.902 -28.377 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -13.045 15.184 -31.765 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.606 16.051 -29.411 1.00 0.00 H new ATOM 745 N LEU A 52 -6.521 11.659 -29.756 1.00 0.00 N ATOM 746 CA LEU A 52 -5.701 10.518 -29.364 1.00 0.00 C ATOM 747 C LEU A 52 -4.933 10.815 -28.080 1.00 0.00 C ATOM 748 O LEU A 52 -4.810 9.957 -27.205 1.00 0.00 O ATOM 749 CB LEU A 52 -4.723 10.159 -30.485 1.00 0.00 C ATOM 750 CG LEU A 52 -3.539 9.278 -30.086 1.00 0.00 C ATOM 751 CD1 LEU A 52 -4.024 7.922 -29.597 1.00 0.00 C ATOM 752 CD2 LEU A 52 -2.579 9.113 -31.255 1.00 0.00 C ATOM 0 H LEU A 52 -6.426 11.930 -30.735 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.363 9.671 -29.182 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.277 9.652 -31.275 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.335 11.084 -30.911 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.006 9.766 -29.270 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.168 7.308 -29.317 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.671 8.058 -28.731 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.581 7.426 -30.392 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.742 8.483 -30.953 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.100 8.647 -32.091 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.205 10.091 -31.560 1.00 0.00 H new ATOM 764 N LYS A 53 -4.420 12.035 -27.973 1.00 0.00 N ATOM 765 CA LYS A 53 -3.667 12.448 -26.794 1.00 0.00 C ATOM 766 C LYS A 53 -4.517 12.323 -25.534 1.00 0.00 C ATOM 767 O LYS A 53 -4.074 11.771 -24.527 1.00 0.00 O ATOM 768 CB LYS A 53 -3.181 13.891 -26.953 1.00 0.00 C ATOM 769 CG LYS A 53 -2.774 14.544 -25.644 1.00 0.00 C ATOM 770 CD LYS A 53 -2.295 15.970 -25.857 1.00 0.00 C ATOM 771 CE LYS A 53 -0.962 16.007 -26.588 1.00 0.00 C ATOM 772 NZ LYS A 53 -1.137 16.223 -28.051 1.00 0.00 N ATOM 0 H LYS A 53 -4.512 12.756 -28.689 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.804 11.789 -26.696 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.332 13.906 -27.636 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.972 14.483 -27.414 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.620 14.542 -24.957 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.982 13.959 -25.176 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.040 16.524 -26.428 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.197 16.470 -24.893 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.343 16.804 -26.175 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.430 15.071 -26.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.453 15.639 -28.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.103 15.955 -28.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.978 17.226 -28.275 1.00 0.00 H new ATOM 786 N VAL A 54 -5.741 12.837 -25.598 1.00 0.00 N ATOM 787 CA VAL A 54 -6.654 12.780 -24.462 1.00 0.00 C ATOM 788 C VAL A 54 -6.906 11.340 -24.031 1.00 0.00 C ATOM 789 O VAL A 54 -6.963 11.038 -22.839 1.00 0.00 O ATOM 790 CB VAL A 54 -8.002 13.449 -24.792 1.00 0.00 C ATOM 791 CG1 VAL A 54 -8.959 13.331 -23.615 1.00 0.00 C ATOM 792 CG2 VAL A 54 -7.793 14.906 -25.177 1.00 0.00 C ATOM 0 H VAL A 54 -6.123 13.297 -26.424 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.178 13.322 -23.645 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.446 12.933 -25.643 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.906 13.809 -23.866 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.132 12.278 -23.391 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.526 13.821 -22.743 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.755 15.363 -25.407 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.327 15.438 -24.348 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.146 14.962 -26.053 1.00 0.00 H new ATOM 802 N HIS A 55 -7.057 10.453 -25.010 1.00 0.00 N ATOM 803 CA HIS A 55 -7.302 9.042 -24.732 1.00 0.00 C ATOM 804 C HIS A 55 -6.264 8.492 -23.759 1.00 0.00 C ATOM 805 O HIS A 55 -6.585 7.690 -22.882 1.00 0.00 O ATOM 806 CB HIS A 55 -7.280 8.234 -26.030 1.00 0.00 C ATOM 807 CG HIS A 55 -6.951 6.787 -25.829 1.00 0.00 C ATOM 808 ND1 HIS A 55 -7.885 5.848 -25.444 1.00 0.00 N ATOM 809 CD2 HIS A 55 -5.782 6.118 -25.963 1.00 0.00 C ATOM 810 CE1 HIS A 55 -7.305 4.666 -25.348 1.00 0.00 C ATOM 811 NE2 HIS A 55 -6.028 4.802 -25.659 1.00 0.00 N ATOM 0 H HIS A 55 -7.014 10.686 -26.002 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.287 8.953 -24.274 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.253 8.313 -26.514 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.550 8.673 -26.709 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -8.871 6.037 -25.262 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.832 6.541 -26.255 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.791 3.745 -25.064 1.00 0.00 H new ATOM 819 N ILE A 56 -5.019 8.927 -23.921 1.00 0.00 N ATOM 820 CA ILE A 56 -3.934 8.478 -23.057 1.00 0.00 C ATOM 821 C ILE A 56 -3.953 9.217 -21.722 1.00 0.00 C ATOM 822 O ILE A 56 -3.614 8.650 -20.684 1.00 0.00 O ATOM 823 CB ILE A 56 -2.561 8.682 -23.724 1.00 0.00 C ATOM 824 CG1 ILE A 56 -2.503 7.935 -25.058 1.00 0.00 C ATOM 825 CG2 ILE A 56 -1.448 8.213 -22.799 1.00 0.00 C ATOM 826 CD1 ILE A 56 -1.487 8.502 -26.024 1.00 0.00 C ATOM 0 H ILE A 56 -4.736 9.590 -24.643 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.089 7.413 -22.883 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.421 9.746 -23.918 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.267 6.888 -24.869 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.489 7.961 -25.523 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.484 8.364 -23.284 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.481 8.785 -21.872 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.581 7.154 -22.577 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.501 7.923 -26.948 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.733 9.541 -26.243 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.493 8.451 -25.579 1.00 0.00 H new ATOM 838 N GLU A 57 -4.353 10.484 -21.759 1.00 0.00 N ATOM 839 CA GLU A 57 -4.417 11.299 -20.552 1.00 0.00 C ATOM 840 C GLU A 57 -5.629 10.923 -19.704 1.00 0.00 C ATOM 841 O GLU A 57 -5.748 11.342 -18.553 1.00 0.00 O ATOM 842 CB GLU A 57 -4.477 12.784 -20.916 1.00 0.00 C ATOM 843 CG GLU A 57 -3.359 13.230 -21.843 1.00 0.00 C ATOM 844 CD GLU A 57 -2.138 13.721 -21.090 1.00 0.00 C ATOM 845 OE1 GLU A 57 -1.387 12.876 -20.560 1.00 0.00 O ATOM 846 OE2 GLU A 57 -1.934 14.952 -21.030 1.00 0.00 O ATOM 0 H GLU A 57 -4.637 10.968 -22.611 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.515 11.110 -19.969 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.436 12.995 -21.390 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.437 13.375 -20.001 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.074 12.399 -22.488 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.726 14.026 -22.492 1.00 0.00 H new ATOM 853 N ARG A 58 -6.524 10.129 -20.283 1.00 0.00 N ATOM 854 CA ARG A 58 -7.728 9.697 -19.582 1.00 0.00 C ATOM 855 C ARG A 58 -7.682 8.199 -19.296 1.00 0.00 C ATOM 856 O ARG A 58 -8.108 7.745 -18.234 1.00 0.00 O ATOM 857 CB ARG A 58 -8.972 10.032 -20.407 1.00 0.00 C ATOM 858 CG ARG A 58 -9.291 8.999 -21.474 1.00 0.00 C ATOM 859 CD ARG A 58 -10.142 9.592 -22.587 1.00 0.00 C ATOM 860 NE ARG A 58 -10.827 8.560 -23.361 1.00 0.00 N ATOM 861 CZ ARG A 58 -12.097 8.220 -23.170 1.00 0.00 C ATOM 862 NH1 ARG A 58 -12.817 8.827 -22.236 1.00 0.00 N ATOM 863 NH2 ARG A 58 -12.650 7.271 -23.915 1.00 0.00 N ATOM 0 H ARG A 58 -6.439 9.772 -21.235 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.776 10.230 -18.632 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.827 10.126 -19.738 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.831 11.002 -20.883 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.363 8.608 -21.893 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.816 8.158 -21.022 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.878 10.272 -22.158 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.511 10.183 -23.250 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.302 8.074 -24.088 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.396 9.557 -21.662 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.792 8.564 -22.092 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.100 6.802 -24.635 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.625 7.010 -23.768 1.00 0.00 H new ATOM 877 N VAL A 59 -7.162 7.435 -20.252 1.00 0.00 N ATOM 878 CA VAL A 59 -7.060 5.988 -20.104 1.00 0.00 C ATOM 879 C VAL A 59 -5.712 5.590 -19.514 1.00 0.00 C ATOM 880 O VAL A 59 -5.642 5.025 -18.422 1.00 0.00 O ATOM 881 CB VAL A 59 -7.250 5.271 -21.453 1.00 0.00 C ATOM 882 CG1 VAL A 59 -7.089 3.767 -21.286 1.00 0.00 C ATOM 883 CG2 VAL A 59 -8.609 5.607 -22.048 1.00 0.00 C ATOM 0 H VAL A 59 -6.805 7.794 -21.137 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.855 5.682 -19.424 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.481 5.620 -22.142 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.227 3.277 -22.250 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.091 3.548 -20.907 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.834 3.397 -20.581 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.726 5.092 -23.001 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.395 5.287 -21.364 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.681 6.683 -22.206 1.00 0.00 H new ATOM 893 N HIS A 60 -4.642 5.889 -20.243 1.00 0.00 N ATOM 894 CA HIS A 60 -3.293 5.564 -19.792 1.00 0.00 C ATOM 895 C HIS A 60 -2.670 6.742 -19.049 1.00 0.00 C ATOM 896 O HIS A 60 -1.499 7.067 -19.250 1.00 0.00 O ATOM 897 CB HIS A 60 -2.415 5.173 -20.981 1.00 0.00 C ATOM 898 CG HIS A 60 -3.076 4.217 -21.926 1.00 0.00 C ATOM 899 ND1 HIS A 60 -3.167 2.863 -21.685 1.00 0.00 N ATOM 900 CD2 HIS A 60 -3.683 4.428 -23.117 1.00 0.00 C ATOM 901 CE1 HIS A 60 -3.799 2.281 -22.689 1.00 0.00 C ATOM 902 NE2 HIS A 60 -4.124 3.209 -23.571 1.00 0.00 N ATOM 0 H HIS A 60 -4.682 6.356 -21.149 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.359 4.719 -19.106 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.134 6.074 -21.526 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.493 4.725 -20.610 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.799 5.378 -23.617 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.013 1.226 -22.774 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.621 3.047 -24.447 1.00 0.00 H new ATOM 910 N LYS A 61 -3.459 7.378 -18.191 1.00 0.00 N ATOM 911 CA LYS A 61 -2.986 8.519 -17.417 1.00 0.00 C ATOM 912 C LYS A 61 -2.184 8.059 -16.203 1.00 0.00 C ATOM 913 O LYS A 61 -2.666 7.269 -15.391 1.00 0.00 O ATOM 914 CB LYS A 61 -4.167 9.380 -16.964 1.00 0.00 C ATOM 915 CG LYS A 61 -3.766 10.771 -16.504 1.00 0.00 C ATOM 916 CD LYS A 61 -3.375 10.782 -15.036 1.00 0.00 C ATOM 917 CE LYS A 61 -4.592 10.939 -14.137 1.00 0.00 C ATOM 918 NZ LYS A 61 -4.931 12.370 -13.907 1.00 0.00 N ATOM 0 H LYS A 61 -4.430 7.122 -18.014 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.335 9.114 -18.057 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.877 9.469 -17.786 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.684 8.872 -16.150 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.931 11.128 -17.107 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.594 11.461 -16.666 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.856 9.856 -14.789 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.676 11.598 -14.850 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.445 10.432 -14.588 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.402 10.453 -13.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.766 12.434 -13.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.127 12.849 -13.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.138 12.828 -14.817 1.00 0.00 H new ATOM 995 N GLN A 65 5.386 3.702 -16.810 1.00 0.00 N ATOM 996 CA GLN A 65 6.266 3.571 -17.965 1.00 0.00 C ATOM 997 C GLN A 65 7.559 2.857 -17.586 1.00 0.00 C ATOM 998 O GLN A 65 8.380 3.391 -16.839 1.00 0.00 O ATOM 999 CB GLN A 65 6.583 4.948 -18.550 1.00 0.00 C ATOM 1000 CG GLN A 65 6.742 4.944 -20.062 1.00 0.00 C ATOM 1001 CD GLN A 65 5.453 4.605 -20.784 1.00 0.00 C ATOM 1002 OE1 GLN A 65 4.524 4.053 -20.193 1.00 0.00 O ATOM 1003 NE2 GLN A 65 5.389 4.934 -22.069 1.00 0.00 N ATOM 0 HA GLN A 65 5.750 2.974 -18.717 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.787 5.641 -18.278 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.501 5.324 -18.097 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.090 5.924 -20.389 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.510 4.223 -20.341 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.183 5.390 -22.519 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.546 4.730 -22.606 1.00 0.00 H new ATOM 1012 N HIS A 66 7.735 1.646 -18.105 1.00 0.00 N ATOM 1013 CA HIS A 66 8.930 0.858 -17.820 1.00 0.00 C ATOM 1014 C HIS A 66 9.822 0.760 -19.054 1.00 0.00 C ATOM 1015 O HIS A 66 9.400 0.267 -20.101 1.00 0.00 O ATOM 1016 CB HIS A 66 8.542 -0.542 -17.344 1.00 0.00 C ATOM 1017 CG HIS A 66 7.473 -1.182 -18.175 1.00 0.00 C ATOM 1018 ND1 HIS A 66 6.139 -0.851 -18.071 1.00 0.00 N ATOM 1019 CD2 HIS A 66 7.548 -2.139 -19.130 1.00 0.00 C ATOM 1020 CE1 HIS A 66 5.439 -1.576 -18.925 1.00 0.00 C ATOM 1021 NE2 HIS A 66 6.271 -2.366 -19.580 1.00 0.00 N ATOM 0 H HIS A 66 7.066 1.189 -18.725 1.00 0.00 H new ATOM 0 HA HIS A 66 9.487 1.360 -17.029 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.427 -1.178 -17.353 1.00 0.00 H new ATOM 0 HB3 HIS A 66 8.201 -0.484 -16.310 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.445 -2.632 -19.474 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.369 -1.531 -19.064 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.007 -3.036 -20.303 1.00 0.00 H new ATOM 1029 N CYS A 67 11.057 1.233 -18.924 1.00 0.00 N ATOM 1030 CA CYS A 67 12.009 1.200 -20.027 1.00 0.00 C ATOM 1031 C CYS A 67 12.091 -0.198 -20.634 1.00 0.00 C ATOM 1032 O CYS A 67 12.305 -1.182 -19.925 1.00 0.00 O ATOM 1033 CB CYS A 67 13.394 1.641 -19.548 1.00 0.00 C ATOM 1034 SG CYS A 67 14.590 1.925 -20.891 1.00 0.00 S ATOM 0 H CYS A 67 11.422 1.644 -18.065 1.00 0.00 H new ATOM 0 HA CYS A 67 11.660 1.891 -20.794 1.00 0.00 H new ATOM 0 HB2 CYS A 67 13.291 2.558 -18.968 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.793 0.882 -18.875 1.00 0.00 H new ATOM 0 HG CYS A 67 14.151 1.378 -21.986 1.00 0.00 H new ATOM 1039 N ARG A 68 11.918 -0.277 -21.949 1.00 0.00 N ATOM 1040 CA ARG A 68 11.971 -1.554 -22.651 1.00 0.00 C ATOM 1041 C ARG A 68 13.414 -1.951 -22.951 1.00 0.00 C ATOM 1042 O ARG A 68 13.674 -2.757 -23.844 1.00 0.00 O ATOM 1043 CB ARG A 68 11.171 -1.478 -23.953 1.00 0.00 C ATOM 1044 CG ARG A 68 11.908 -0.773 -25.080 1.00 0.00 C ATOM 1045 CD ARG A 68 12.260 0.658 -24.706 1.00 0.00 C ATOM 1046 NE ARG A 68 11.088 1.415 -24.274 1.00 0.00 N ATOM 1047 CZ ARG A 68 11.155 2.499 -23.509 1.00 0.00 C ATOM 1048 NH1 ARG A 68 12.330 2.951 -23.095 1.00 0.00 N ATOM 1049 NH2 ARG A 68 10.043 3.133 -23.157 1.00 0.00 N ATOM 0 H ARG A 68 11.740 0.528 -22.550 1.00 0.00 H new ATOM 0 HA ARG A 68 11.530 -2.313 -22.005 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.917 -2.489 -24.273 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.232 -0.958 -23.763 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.819 -1.322 -25.320 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.289 -0.774 -25.977 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.002 0.652 -23.908 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.717 1.154 -25.562 1.00 0.00 H new ATOM 0 HE ARG A 68 10.168 1.094 -24.576 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.186 2.466 -23.364 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.378 3.784 -22.508 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.137 2.788 -23.474 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.095 3.965 -22.570 1.00 0.00 H new ATOM 1063 N PHE A 69 14.348 -1.378 -22.198 1.00 0.00 N ATOM 1064 CA PHE A 69 15.764 -1.670 -22.384 1.00 0.00 C ATOM 1065 C PHE A 69 16.376 -2.232 -21.104 1.00 0.00 C ATOM 1066 O PHE A 69 16.969 -3.311 -21.107 1.00 0.00 O ATOM 1067 CB PHE A 69 16.516 -0.407 -22.810 1.00 0.00 C ATOM 1068 CG PHE A 69 15.947 0.243 -24.039 1.00 0.00 C ATOM 1069 CD1 PHE A 69 15.715 -0.498 -25.186 1.00 0.00 C ATOM 1070 CD2 PHE A 69 15.643 1.595 -24.046 1.00 0.00 C ATOM 1071 CE1 PHE A 69 15.192 0.099 -26.318 1.00 0.00 C ATOM 1072 CE2 PHE A 69 15.120 2.197 -25.175 1.00 0.00 C ATOM 1073 CZ PHE A 69 14.893 1.447 -26.312 1.00 0.00 C ATOM 0 H PHE A 69 14.149 -0.709 -21.454 1.00 0.00 H new ATOM 0 HA PHE A 69 15.854 -2.420 -23.169 1.00 0.00 H new ATOM 0 HB2 PHE A 69 16.500 0.310 -21.989 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.560 -0.660 -22.993 1.00 0.00 H new ATOM 0 HD1 PHE A 69 15.945 -1.553 -25.196 1.00 0.00 H new ATOM 0 HD2 PHE A 69 15.817 2.185 -23.159 1.00 0.00 H new ATOM 0 HE1 PHE A 69 15.017 -0.489 -27.207 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.889 3.252 -25.168 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.482 1.914 -27.195 1.00 0.00 H new ATOM 1083 N CYS A 70 16.228 -1.492 -20.010 1.00 0.00 N ATOM 1084 CA CYS A 70 16.765 -1.913 -18.722 1.00 0.00 C ATOM 1085 C CYS A 70 15.648 -2.374 -17.791 1.00 0.00 C ATOM 1086 O CYS A 70 15.859 -2.557 -16.592 1.00 0.00 O ATOM 1087 CB CYS A 70 17.546 -0.769 -18.073 1.00 0.00 C ATOM 1088 SG CYS A 70 16.567 0.744 -17.808 1.00 0.00 S ATOM 0 H CYS A 70 15.740 -0.597 -19.990 1.00 0.00 H new ATOM 0 HA CYS A 70 17.439 -2.752 -18.894 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.937 -1.109 -17.114 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.405 -0.528 -18.700 1.00 0.00 H new ATOM 0 HG CYS A 70 15.960 1.067 -18.911 1.00 0.00 H new ATOM 1093 N LYS A 71 14.457 -2.560 -18.351 1.00 0.00 N ATOM 1094 CA LYS A 71 13.305 -3.000 -17.573 1.00 0.00 C ATOM 1095 C LYS A 71 13.182 -2.198 -16.281 1.00 0.00 C ATOM 1096 O LYS A 71 13.040 -2.765 -15.197 1.00 0.00 O ATOM 1097 CB LYS A 71 13.422 -4.492 -17.251 1.00 0.00 C ATOM 1098 CG LYS A 71 13.382 -5.384 -18.479 1.00 0.00 C ATOM 1099 CD LYS A 71 11.962 -5.808 -18.814 1.00 0.00 C ATOM 1100 CE LYS A 71 11.944 -7.061 -19.677 1.00 0.00 C ATOM 1101 NZ LYS A 71 12.054 -8.300 -18.858 1.00 0.00 N ATOM 0 H LYS A 71 14.265 -2.413 -19.342 1.00 0.00 H new ATOM 0 HA LYS A 71 12.409 -2.832 -18.170 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.355 -4.667 -16.715 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.611 -4.775 -16.580 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.815 -4.855 -19.328 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.996 -6.268 -18.308 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.409 -5.991 -17.893 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.453 -4.998 -19.336 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.021 -7.090 -20.257 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.767 -7.023 -20.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.038 -9.131 -19.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.946 -8.285 -18.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.254 -8.350 -18.195 1.00 0.00 H new ATOM 1115 N LYS A 72 13.236 -0.876 -16.404 1.00 0.00 N ATOM 1116 CA LYS A 72 13.128 0.005 -15.247 1.00 0.00 C ATOM 1117 C LYS A 72 11.829 0.803 -15.290 1.00 0.00 C ATOM 1118 O LYS A 72 11.603 1.592 -16.208 1.00 0.00 O ATOM 1119 CB LYS A 72 14.323 0.959 -15.193 1.00 0.00 C ATOM 1120 CG LYS A 72 15.546 0.364 -14.516 1.00 0.00 C ATOM 1121 CD LYS A 72 16.528 1.443 -14.090 1.00 0.00 C ATOM 1122 CE LYS A 72 17.860 0.847 -13.663 1.00 0.00 C ATOM 1123 NZ LYS A 72 18.849 1.901 -13.303 1.00 0.00 N ATOM 0 H LYS A 72 13.354 -0.391 -17.294 1.00 0.00 H new ATOM 0 HA LYS A 72 13.124 -0.614 -14.350 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.588 1.254 -16.208 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.030 1.866 -14.664 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.236 -0.212 -13.644 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.039 -0.329 -15.197 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.687 2.138 -14.915 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.104 2.017 -13.266 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.706 0.187 -12.809 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.260 0.235 -14.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 19.744 1.454 -13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 19.016 2.516 -14.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 18.479 2.470 -12.515 1.00 0.00 H new ATOM 1137 N LYS A 73 10.978 0.594 -14.291 1.00 0.00 N ATOM 1138 CA LYS A 73 9.702 1.295 -14.213 1.00 0.00 C ATOM 1139 C LYS A 73 9.845 2.600 -13.437 1.00 0.00 C ATOM 1140 O LYS A 73 10.499 2.645 -12.395 1.00 0.00 O ATOM 1141 CB LYS A 73 8.648 0.407 -13.549 1.00 0.00 C ATOM 1142 CG LYS A 73 8.970 0.055 -12.107 1.00 0.00 C ATOM 1143 CD LYS A 73 8.279 -1.228 -11.677 1.00 0.00 C ATOM 1144 CE LYS A 73 6.850 -0.967 -11.227 1.00 0.00 C ATOM 1145 NZ LYS A 73 6.150 -2.225 -10.845 1.00 0.00 N ATOM 0 H LYS A 73 11.149 -0.056 -13.524 1.00 0.00 H new ATOM 0 HA LYS A 73 9.382 1.530 -15.228 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.684 0.914 -13.584 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.545 -0.513 -14.125 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.048 -0.055 -11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.661 0.872 -11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.277 -1.937 -12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.839 -1.689 -10.864 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.856 -0.283 -10.379 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.301 -0.475 -12.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.179 -2.004 -10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.122 -2.868 -11.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.660 -2.682 -10.062 1.00 0.00 H new ATOM 1159 N TYR A 74 9.229 3.659 -13.950 1.00 0.00 N ATOM 1160 CA TYR A 74 9.289 4.965 -13.305 1.00 0.00 C ATOM 1161 C TYR A 74 7.895 5.437 -12.899 1.00 0.00 C ATOM 1162 O TYR A 74 6.894 5.030 -13.488 1.00 0.00 O ATOM 1163 CB TYR A 74 9.935 5.990 -14.239 1.00 0.00 C ATOM 1164 CG TYR A 74 11.438 5.858 -14.335 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.022 4.705 -14.846 1.00 0.00 C ATOM 1166 CD2 TYR A 74 12.274 6.885 -13.914 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.395 4.580 -14.936 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.647 6.768 -14.001 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.203 5.614 -14.512 1.00 0.00 C ATOM 1170 OH TYR A 74 15.571 5.494 -14.599 1.00 0.00 O ATOM 0 H TYR A 74 8.682 3.639 -14.811 1.00 0.00 H new ATOM 0 HA TYR A 74 9.897 4.870 -12.405 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.505 5.884 -15.235 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.688 6.993 -13.891 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.392 3.893 -15.178 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.843 7.790 -13.512 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.833 3.678 -15.336 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.282 7.576 -13.670 1.00 0.00 H new ATOM 0 HH TYR A 74 15.800 4.878 -15.326 1.00 0.00 H new ATOM 1180 N SER A 75 7.840 6.300 -11.890 1.00 0.00 N ATOM 1181 CA SER A 75 6.571 6.826 -11.403 1.00 0.00 C ATOM 1182 C SER A 75 5.955 7.786 -12.417 1.00 0.00 C ATOM 1183 O SER A 75 4.796 7.638 -12.804 1.00 0.00 O ATOM 1184 CB SER A 75 6.770 7.540 -10.064 1.00 0.00 C ATOM 1185 OG SER A 75 6.986 6.609 -9.017 1.00 0.00 O ATOM 0 H SER A 75 8.660 6.650 -11.394 1.00 0.00 H new ATOM 0 HA SER A 75 5.889 5.987 -11.262 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.620 8.218 -10.133 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.894 8.148 -9.839 1.00 0.00 H new ATOM 0 HG SER A 75 7.112 7.090 -8.172 1.00 0.00 H new ATOM 1191 N ASP A 76 6.740 8.770 -12.842 1.00 0.00 N ATOM 1192 CA ASP A 76 6.274 9.755 -13.812 1.00 0.00 C ATOM 1193 C ASP A 76 7.084 9.672 -15.102 1.00 0.00 C ATOM 1194 O ASP A 76 8.241 10.091 -15.149 1.00 0.00 O ATOM 1195 CB ASP A 76 6.369 11.164 -13.225 1.00 0.00 C ATOM 1196 CG ASP A 76 5.536 11.325 -11.969 1.00 0.00 C ATOM 1197 OD1 ASP A 76 4.331 10.997 -12.009 1.00 0.00 O ATOM 1198 OD2 ASP A 76 6.089 11.778 -10.945 1.00 0.00 O ATOM 0 H ASP A 76 7.702 8.907 -12.530 1.00 0.00 H new ATOM 0 HA ASP A 76 5.232 9.536 -14.044 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.411 11.390 -12.998 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.041 11.888 -13.971 1.00 0.00 H new ATOM 1203 N VAL A 77 6.469 9.128 -16.147 1.00 0.00 N ATOM 1204 CA VAL A 77 7.133 8.990 -17.438 1.00 0.00 C ATOM 1205 C VAL A 77 8.096 10.145 -17.687 1.00 0.00 C ATOM 1206 O VAL A 77 9.129 9.978 -18.335 1.00 0.00 O ATOM 1207 CB VAL A 77 6.112 8.929 -18.590 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.349 10.240 -18.697 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.809 8.598 -19.901 1.00 0.00 C ATOM 0 H VAL A 77 5.512 8.776 -16.125 1.00 0.00 H new ATOM 0 HA VAL A 77 7.692 8.055 -17.408 1.00 0.00 H new ATOM 0 HB VAL A 77 5.395 8.137 -18.376 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.632 10.178 -19.516 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.818 10.429 -17.764 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.049 11.054 -18.888 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.073 8.559 -20.704 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.549 9.367 -20.124 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.305 7.631 -19.815 1.00 0.00 H new ATOM 1219 N LYS A 78 7.750 11.318 -17.168 1.00 0.00 N ATOM 1220 CA LYS A 78 8.584 12.503 -17.332 1.00 0.00 C ATOM 1221 C LYS A 78 10.056 12.167 -17.115 1.00 0.00 C ATOM 1222 O LYS A 78 10.893 12.413 -17.982 1.00 0.00 O ATOM 1223 CB LYS A 78 8.150 13.596 -16.353 1.00 0.00 C ATOM 1224 CG LYS A 78 6.958 14.406 -16.834 1.00 0.00 C ATOM 1225 CD LYS A 78 6.712 15.616 -15.949 1.00 0.00 C ATOM 1226 CE LYS A 78 5.900 15.249 -14.716 1.00 0.00 C ATOM 1227 NZ LYS A 78 4.459 15.054 -15.038 1.00 0.00 N ATOM 0 H LYS A 78 6.897 11.474 -16.630 1.00 0.00 H new ATOM 0 HA LYS A 78 8.459 12.866 -18.352 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.904 13.137 -15.395 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.989 14.269 -16.178 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.129 14.733 -17.860 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.069 13.775 -16.845 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.666 16.044 -15.643 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.186 16.383 -16.517 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.301 14.336 -14.276 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.002 16.035 -13.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.914 14.973 -14.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.113 15.867 -15.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.343 14.185 -15.597 1.00 0.00 H new ATOM 1241 N ASN A 79 10.364 11.602 -15.952 1.00 0.00 N ATOM 1242 CA ASN A 79 11.735 11.231 -15.622 1.00 0.00 C ATOM 1243 C ASN A 79 12.264 10.182 -16.596 1.00 0.00 C ATOM 1244 O ASN A 79 13.367 10.314 -17.129 1.00 0.00 O ATOM 1245 CB ASN A 79 11.811 10.697 -14.190 1.00 0.00 C ATOM 1246 CG ASN A 79 10.650 9.781 -13.852 1.00 0.00 C ATOM 1247 OD1 ASN A 79 10.267 8.926 -14.651 1.00 0.00 O ATOM 1248 ND2 ASN A 79 10.085 9.957 -12.664 1.00 0.00 N ATOM 0 H ASN A 79 9.683 11.391 -15.223 1.00 0.00 H new ATOM 0 HA ASN A 79 12.356 12.123 -15.703 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.748 10.156 -14.056 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.824 11.535 -13.493 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.300 9.371 -12.381 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.436 10.678 -12.034 1.00 0.00 H new ATOM 1255 N LEU A 80 11.471 9.141 -16.825 1.00 0.00 N ATOM 1256 CA LEU A 80 11.858 8.069 -17.735 1.00 0.00 C ATOM 1257 C LEU A 80 12.440 8.636 -19.027 1.00 0.00 C ATOM 1258 O LEU A 80 13.409 8.102 -19.568 1.00 0.00 O ATOM 1259 CB LEU A 80 10.653 7.182 -18.051 1.00 0.00 C ATOM 1260 CG LEU A 80 10.921 5.989 -18.970 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.990 5.086 -18.374 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.638 5.209 -19.218 1.00 0.00 C ATOM 0 H LEU A 80 10.556 9.017 -16.393 1.00 0.00 H new ATOM 0 HA LEU A 80 12.625 7.468 -17.245 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.246 6.807 -17.112 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.881 7.801 -18.508 1.00 0.00 H new ATOM 0 HG LEU A 80 11.285 6.365 -19.926 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.167 4.243 -19.041 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.914 5.650 -18.248 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.656 4.717 -17.404 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.847 4.364 -19.874 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.245 4.844 -18.269 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.902 5.860 -19.689 1.00 0.00 H new ATOM 1274 N ILE A 81 11.845 9.719 -19.513 1.00 0.00 N ATOM 1275 CA ILE A 81 12.306 10.359 -20.738 1.00 0.00 C ATOM 1276 C ILE A 81 13.778 10.745 -20.636 1.00 0.00 C ATOM 1277 O ILE A 81 14.579 10.419 -21.513 1.00 0.00 O ATOM 1278 CB ILE A 81 11.479 11.617 -21.062 1.00 0.00 C ATOM 1279 CG1 ILE A 81 9.998 11.259 -21.200 1.00 0.00 C ATOM 1280 CG2 ILE A 81 11.991 12.274 -22.335 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.692 10.407 -22.412 1.00 0.00 C ATOM 0 H ILE A 81 11.042 10.172 -19.077 1.00 0.00 H new ATOM 0 HA ILE A 81 12.177 9.633 -21.541 1.00 0.00 H new ATOM 0 HB ILE A 81 11.587 12.326 -20.241 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.676 10.730 -20.303 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.414 12.178 -21.255 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.396 13.162 -22.551 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.035 12.560 -22.203 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.909 11.572 -23.165 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.624 10.192 -22.445 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.983 10.942 -23.316 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.248 9.472 -22.349 1.00 0.00 H new ATOM 1293 N LYS A 82 14.129 11.439 -19.559 1.00 0.00 N ATOM 1294 CA LYS A 82 15.505 11.867 -19.339 1.00 0.00 C ATOM 1295 C LYS A 82 16.426 10.666 -19.152 1.00 0.00 C ATOM 1296 O LYS A 82 17.524 10.620 -19.707 1.00 0.00 O ATOM 1297 CB LYS A 82 15.587 12.781 -18.114 1.00 0.00 C ATOM 1298 CG LYS A 82 16.896 13.544 -18.011 1.00 0.00 C ATOM 1299 CD LYS A 82 17.051 14.206 -16.652 1.00 0.00 C ATOM 1300 CE LYS A 82 16.227 15.481 -16.556 1.00 0.00 C ATOM 1301 NZ LYS A 82 16.157 15.992 -15.159 1.00 0.00 N ATOM 0 H LYS A 82 13.479 11.717 -18.824 1.00 0.00 H new ATOM 0 HA LYS A 82 15.832 12.419 -20.220 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.763 13.493 -18.147 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.454 12.181 -17.214 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.730 12.863 -18.182 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.939 14.302 -18.793 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.742 13.512 -15.871 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.102 14.436 -16.476 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.663 16.244 -17.201 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.219 15.291 -16.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.587 16.862 -15.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.718 15.274 -14.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.117 16.198 -14.816 1.00 0.00 H new ATOM 1315 N HIS A 83 15.970 9.693 -18.369 1.00 0.00 N ATOM 1316 CA HIS A 83 16.752 8.489 -18.112 1.00 0.00 C ATOM 1317 C HIS A 83 17.250 7.875 -19.416 1.00 0.00 C ATOM 1318 O HIS A 83 18.380 7.392 -19.495 1.00 0.00 O ATOM 1319 CB HIS A 83 15.916 7.468 -17.340 1.00 0.00 C ATOM 1320 CG HIS A 83 16.273 6.046 -17.649 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.285 5.367 -17.004 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.744 5.174 -18.538 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.365 4.140 -17.486 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.440 3.996 -18.417 1.00 0.00 N ATOM 0 H HIS A 83 15.064 9.715 -17.902 1.00 0.00 H new ATOM 0 HA HIS A 83 17.617 8.769 -17.510 1.00 0.00 H new ATOM 0 HB2 HIS A 83 16.041 7.642 -16.271 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.862 7.627 -17.567 1.00 0.00 H new ATOM 0 HD1 HIS A 83 17.879 5.752 -16.270 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.927 5.368 -19.217 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.068 3.383 -17.172 1.00 0.00 H new ATOM 1332 N ILE A 84 16.400 7.896 -20.437 1.00 0.00 N ATOM 1333 CA ILE A 84 16.754 7.342 -21.738 1.00 0.00 C ATOM 1334 C ILE A 84 17.803 8.202 -22.435 1.00 0.00 C ATOM 1335 O ILE A 84 18.818 7.696 -22.912 1.00 0.00 O ATOM 1336 CB ILE A 84 15.521 7.216 -22.651 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.565 6.150 -22.110 1.00 0.00 C ATOM 1338 CG2 ILE A 84 15.946 6.881 -24.073 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.177 6.224 -22.708 1.00 0.00 C ATOM 0 H ILE A 84 15.461 8.291 -20.388 1.00 0.00 H new ATOM 0 HA ILE A 84 17.164 6.349 -21.556 1.00 0.00 H new ATOM 0 HB ILE A 84 14.999 8.173 -22.665 1.00 0.00 H new ATOM 0 HG12 ILE A 84 14.985 5.163 -22.307 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.492 6.255 -21.028 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.063 6.795 -24.706 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.591 7.672 -24.456 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.489 5.936 -24.077 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.554 5.439 -22.279 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.738 7.197 -22.489 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.238 6.089 -23.788 1.00 0.00 H new ATOM 1351 N ARG A 85 17.551 9.506 -22.488 1.00 0.00 N ATOM 1352 CA ARG A 85 18.473 10.437 -23.125 1.00 0.00 C ATOM 1353 C ARG A 85 19.753 10.581 -22.307 1.00 0.00 C ATOM 1354 O ARG A 85 20.740 11.149 -22.774 1.00 0.00 O ATOM 1355 CB ARG A 85 17.811 11.805 -23.301 1.00 0.00 C ATOM 1356 CG ARG A 85 16.465 11.743 -24.005 1.00 0.00 C ATOM 1357 CD ARG A 85 15.962 13.132 -24.366 1.00 0.00 C ATOM 1358 NE ARG A 85 16.805 13.776 -25.369 1.00 0.00 N ATOM 1359 CZ ARG A 85 16.701 13.547 -26.674 1.00 0.00 C ATOM 1360 NH1 ARG A 85 15.795 12.694 -27.130 1.00 0.00 N ATOM 1361 NH2 ARG A 85 17.505 14.172 -27.525 1.00 0.00 N ATOM 0 H ARG A 85 16.715 9.941 -22.097 1.00 0.00 H new ATOM 0 HA ARG A 85 18.732 10.038 -24.106 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.679 12.264 -22.321 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.479 12.453 -23.869 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.553 11.140 -24.909 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.739 11.247 -23.361 1.00 0.00 H new ATOM 0 HD2 ARG A 85 14.941 13.061 -24.742 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.929 13.750 -23.469 1.00 0.00 H new ATOM 0 HE ARG A 85 17.513 14.438 -25.051 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.176 12.212 -26.479 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.717 12.520 -28.132 1.00 0.00 H new ATOM 0 HH21 ARG A 85 18.204 14.829 -27.178 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.424 13.995 -28.526 1.00 0.00 H new ATOM 1375 N ASP A 86 19.727 10.065 -21.083 1.00 0.00 N ATOM 1376 CA ASP A 86 20.885 10.135 -20.199 1.00 0.00 C ATOM 1377 C ASP A 86 21.681 8.835 -20.241 1.00 0.00 C ATOM 1378 O ASP A 86 22.910 8.846 -20.193 1.00 0.00 O ATOM 1379 CB ASP A 86 20.441 10.430 -18.765 1.00 0.00 C ATOM 1380 CG ASP A 86 19.819 11.805 -18.623 1.00 0.00 C ATOM 1381 OD1 ASP A 86 19.267 12.314 -19.622 1.00 0.00 O ATOM 1382 OD2 ASP A 86 19.882 12.373 -17.513 1.00 0.00 O ATOM 0 H ASP A 86 18.917 9.594 -20.680 1.00 0.00 H new ATOM 0 HA ASP A 86 21.528 10.944 -20.546 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.722 9.675 -18.448 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.300 10.352 -18.099 1.00 0.00 H new ATOM 1387 N ALA A 87 20.971 7.715 -20.330 1.00 0.00 N ATOM 1388 CA ALA A 87 21.611 6.406 -20.379 1.00 0.00 C ATOM 1389 C ALA A 87 21.519 5.802 -21.776 1.00 0.00 C ATOM 1390 O ALA A 87 22.527 5.397 -22.355 1.00 0.00 O ATOM 1391 CB ALA A 87 20.981 5.472 -19.356 1.00 0.00 C ATOM 0 H ALA A 87 19.952 7.688 -20.370 1.00 0.00 H new ATOM 0 HA ALA A 87 22.666 6.535 -20.136 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.468 4.498 -19.404 1.00 0.00 H new ATOM 0 HB2 ALA A 87 21.103 5.891 -18.357 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.919 5.357 -19.574 1.00 0.00 H new ATOM 1397 N HIS A 88 20.304 5.745 -22.312 1.00 0.00 N ATOM 1398 CA HIS A 88 20.081 5.190 -23.643 1.00 0.00 C ATOM 1399 C HIS A 88 19.950 6.301 -24.680 1.00 0.00 C ATOM 1400 O HIS A 88 18.963 6.367 -25.412 1.00 0.00 O ATOM 1401 CB HIS A 88 18.825 4.319 -23.651 1.00 0.00 C ATOM 1402 CG HIS A 88 18.708 3.425 -22.455 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.527 2.335 -22.247 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.863 3.465 -21.398 1.00 0.00 C ATOM 1405 CE1 HIS A 88 19.189 1.743 -21.116 1.00 0.00 C ATOM 1406 NE2 HIS A 88 18.182 2.409 -20.581 1.00 0.00 N ATOM 0 H HIS A 88 19.459 6.076 -21.846 1.00 0.00 H new ATOM 0 HA HIS A 88 20.943 4.575 -23.902 1.00 0.00 H new ATOM 0 HB2 HIS A 88 17.947 4.963 -23.700 1.00 0.00 H new ATOM 0 HB3 HIS A 88 18.823 3.707 -24.553 1.00 0.00 H new ATOM 0 HD2 HIS A 88 17.083 4.193 -21.229 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.657 0.863 -20.699 1.00 0.00 H new ATOM 0 HE2 HIS A 88 17.717 2.177 -19.703 1.00 0.00 H new ATOM 1414 N ASP A 89 20.951 7.173 -24.736 1.00 0.00 N ATOM 1415 CA ASP A 89 20.948 8.281 -25.683 1.00 0.00 C ATOM 1416 C ASP A 89 21.414 7.820 -27.061 1.00 0.00 C ATOM 1417 O ASP A 89 22.533 7.336 -27.235 1.00 0.00 O ATOM 1418 CB ASP A 89 21.846 9.413 -25.180 1.00 0.00 C ATOM 1419 CG ASP A 89 21.797 10.633 -26.078 1.00 0.00 C ATOM 1420 OD1 ASP A 89 21.473 10.478 -27.274 1.00 0.00 O ATOM 1421 OD2 ASP A 89 22.082 11.744 -25.584 1.00 0.00 O ATOM 0 H ASP A 89 21.775 7.133 -24.136 1.00 0.00 H new ATOM 0 HA ASP A 89 19.926 8.649 -25.769 1.00 0.00 H new ATOM 0 HB2 ASP A 89 21.541 9.695 -24.172 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.874 9.055 -25.113 1.00 0.00 H new