USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 914 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 23 GLN : amide:sc= -0.316 X(o=0.39,f=0.8) USER MOD Set 1.2: A 46 LYS NZ :NH3+ -147:sc= 0.709 (180deg=0.315) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0.929 K(o=0.93,f=-0.056) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 85:sc= 0.244 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.94 K(o=0.94,f=-1.7!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0341 X(o=-0.034,f=-0.094) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0684) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.156 USER MOD Single : A 54 ASN : amide:sc= -0.0629 X(o=-0.063,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= -0.0121 (180deg=-0.119) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.137 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 75 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.0875 X(o=-0.088,f=-0.47) USER MOD Single : A 87 SER OG : rot -96:sc= 1.29 USER MOD Single : A 97 ASN : amide:sc= 0.81 K(o=0.81,f=-0.068) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0.683 K(o=0.68,f=-2.2!) USER MOD Single : A 118 SER OG : rot -43:sc= 0.287 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.807 8.126 -8.909 1.00 0.00 N ATOM 60 CA GLY A 7 -2.027 9.360 -8.925 1.00 0.00 C ATOM 61 C GLY A 7 -0.677 9.134 -8.247 1.00 0.00 C ATOM 62 O GLY A 7 -0.471 8.091 -7.630 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.876 9.691 -9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.573 10.152 -8.412 1.00 0.00 H new ATOM 66 N SER A 8 0.237 10.098 -8.342 1.00 0.00 N ATOM 67 CA SER A 8 1.630 10.002 -7.907 1.00 0.00 C ATOM 68 C SER A 8 1.841 9.617 -6.436 1.00 0.00 C ATOM 69 O SER A 8 0.925 9.642 -5.620 1.00 0.00 O ATOM 70 CB SER A 8 2.265 11.360 -8.186 1.00 0.00 C ATOM 71 OG SER A 8 2.402 11.537 -9.586 1.00 0.00 O ATOM 0 H SER A 8 0.017 11.010 -8.743 1.00 0.00 H new ATOM 0 HA SER A 8 2.092 9.185 -8.461 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.649 12.155 -7.766 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.240 11.424 -7.703 1.00 0.00 H new ATOM 0 HG SER A 8 2.808 12.410 -9.767 1.00 0.00 H new ATOM 77 N ALA A 9 3.087 9.307 -6.079 1.00 0.00 N ATOM 78 CA ALA A 9 3.446 8.758 -4.780 1.00 0.00 C ATOM 79 C ALA A 9 3.045 9.642 -3.605 1.00 0.00 C ATOM 80 O ALA A 9 2.283 9.223 -2.726 1.00 0.00 O ATOM 81 CB ALA A 9 4.935 8.418 -4.755 1.00 0.00 C ATOM 0 H ALA A 9 3.887 9.434 -6.699 1.00 0.00 H new ATOM 0 HA ALA A 9 2.867 7.844 -4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.198 8.007 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.153 7.683 -5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.518 9.321 -4.938 1.00 0.00 H new ATOM 87 N LYS A 10 3.535 10.883 -3.572 1.00 0.00 N ATOM 88 CA LYS A 10 3.118 11.814 -2.525 1.00 0.00 C ATOM 89 C LYS A 10 1.604 12.046 -2.599 1.00 0.00 C ATOM 90 O LYS A 10 0.968 12.241 -1.561 1.00 0.00 O ATOM 91 CB LYS A 10 3.890 13.139 -2.646 1.00 0.00 C ATOM 92 CG LYS A 10 5.027 13.270 -1.621 1.00 0.00 C ATOM 93 CD LYS A 10 4.510 13.747 -0.255 1.00 0.00 C ATOM 94 CE LYS A 10 5.658 13.990 0.735 1.00 0.00 C ATOM 95 NZ LYS A 10 5.916 15.426 0.983 1.00 0.00 N ATOM 0 H LYS A 10 4.206 11.259 -4.242 1.00 0.00 H new ATOM 0 HA LYS A 10 3.349 11.380 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.304 13.221 -3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.196 13.970 -2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.525 12.307 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.773 13.972 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.940 14.667 -0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.827 13.003 0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.424 13.500 1.680 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.566 13.525 0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.701 15.526 1.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.167 15.893 0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.062 15.869 1.377 1.00 0.00 H new ATOM 109 N ASN A 11 1.004 11.968 -3.794 1.00 0.00 N ATOM 110 CA ASN A 11 -0.439 12.105 -3.992 1.00 0.00 C ATOM 111 C ASN A 11 -1.239 11.034 -3.229 1.00 0.00 C ATOM 112 O ASN A 11 -2.425 11.268 -2.986 1.00 0.00 O ATOM 113 CB ASN A 11 -0.821 12.157 -5.481 1.00 0.00 C ATOM 114 CG ASN A 11 -2.092 12.947 -5.823 1.00 0.00 C ATOM 115 OD1 ASN A 11 -2.214 13.446 -6.941 1.00 0.00 O ATOM 116 ND2 ASN A 11 -3.054 13.072 -4.929 1.00 0.00 N ATOM 0 H ASN A 11 1.517 11.806 -4.660 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.717 13.068 -3.563 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.012 12.590 -6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.945 11.135 -5.840 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.904 13.584 -5.163 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.947 12.656 -4.004 1.00 0.00 H new ATOM 123 N ALA A 12 -0.627 9.979 -2.669 1.00 0.00 N ATOM 124 CA ALA A 12 -1.298 9.076 -1.728 1.00 0.00 C ATOM 125 C ALA A 12 -0.880 9.263 -0.259 1.00 0.00 C ATOM 126 O ALA A 12 -1.739 9.185 0.621 1.00 0.00 O ATOM 127 CB ALA A 12 -1.085 7.637 -2.182 1.00 0.00 C ATOM 0 H ALA A 12 0.344 9.730 -2.857 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.358 9.329 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.581 6.959 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.504 7.504 -3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.018 7.417 -2.204 1.00 0.00 H new ATOM 133 N TYR A 13 0.400 9.506 0.055 1.00 0.00 N ATOM 134 CA TYR A 13 0.816 9.665 1.460 1.00 0.00 C ATOM 135 C TYR A 13 0.306 10.963 2.096 1.00 0.00 C ATOM 136 O TYR A 13 -0.134 10.929 3.242 1.00 0.00 O ATOM 137 CB TYR A 13 2.334 9.642 1.601 1.00 0.00 C ATOM 138 CG TYR A 13 2.806 9.830 3.036 1.00 0.00 C ATOM 139 CD1 TYR A 13 2.647 8.796 3.984 1.00 0.00 C ATOM 140 CD2 TYR A 13 3.489 11.007 3.405 1.00 0.00 C ATOM 141 CE1 TYR A 13 3.224 8.922 5.263 1.00 0.00 C ATOM 142 CE2 TYR A 13 4.037 11.144 4.693 1.00 0.00 C ATOM 143 CZ TYR A 13 3.910 10.098 5.630 1.00 0.00 C ATOM 144 OH TYR A 13 4.446 10.204 6.878 1.00 0.00 O ATOM 0 H TYR A 13 1.153 9.596 -0.627 1.00 0.00 H new ATOM 0 HA TYR A 13 0.371 8.818 1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.713 8.693 1.222 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.762 10.428 0.979 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.084 7.910 3.729 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.592 11.811 2.692 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.140 8.110 5.970 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.556 12.051 4.965 1.00 0.00 H new ATOM 0 HH TYR A 13 4.886 11.075 6.972 1.00 0.00 H new ATOM 154 N THR A 14 0.367 12.095 1.389 1.00 0.00 N ATOM 155 CA THR A 14 -0.094 13.387 1.894 1.00 0.00 C ATOM 156 C THR A 14 -1.502 13.288 2.534 1.00 0.00 C ATOM 157 O THR A 14 -1.765 13.940 3.548 1.00 0.00 O ATOM 158 CB THR A 14 -0.027 14.428 0.750 1.00 0.00 C ATOM 159 OG1 THR A 14 1.306 14.601 0.298 1.00 0.00 O ATOM 160 CG2 THR A 14 -0.582 15.788 1.137 1.00 0.00 C ATOM 0 H THR A 14 0.742 12.138 0.441 1.00 0.00 H new ATOM 0 HA THR A 14 0.564 13.717 2.698 1.00 0.00 H new ATOM 0 HB THR A 14 -0.653 14.022 -0.045 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.515 13.919 -0.374 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.504 16.468 0.289 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.628 15.686 1.424 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.013 16.188 1.976 1.00 0.00 H new ATOM 168 N LYS A 15 -2.405 12.477 1.972 1.00 0.00 N ATOM 169 CA LYS A 15 -3.768 12.300 2.450 1.00 0.00 C ATOM 170 C LYS A 15 -3.875 11.272 3.565 1.00 0.00 C ATOM 171 O LYS A 15 -4.788 11.370 4.382 1.00 0.00 O ATOM 172 CB LYS A 15 -4.706 11.903 1.295 1.00 0.00 C ATOM 173 CG LYS A 15 -4.846 12.934 0.161 1.00 0.00 C ATOM 174 CD LYS A 15 -5.198 14.339 0.667 1.00 0.00 C ATOM 175 CE LYS A 15 -5.125 15.310 -0.502 1.00 0.00 C ATOM 176 NZ LYS A 15 -5.752 16.597 -0.175 1.00 0.00 N ATOM 0 H LYS A 15 -2.195 11.912 1.149 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.073 13.263 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.348 10.967 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.696 11.707 1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.912 12.979 -0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.617 12.600 -0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.198 14.345 1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.507 14.642 1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.083 15.472 -0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.620 14.874 -1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.684 17.234 -0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.753 16.445 0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.264 17.025 0.638 1.00 0.00 H new ATOM 190 N LEU A 16 -2.984 10.283 3.625 1.00 0.00 N ATOM 191 CA LEU A 16 -3.065 9.161 4.510 1.00 0.00 C ATOM 192 C LEU A 16 -2.962 9.620 5.967 1.00 0.00 C ATOM 193 O LEU A 16 -3.530 8.988 6.854 1.00 0.00 O ATOM 194 CB LEU A 16 -1.920 8.261 4.047 1.00 0.00 C ATOM 195 CG LEU A 16 -1.668 7.084 4.954 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.831 6.090 5.030 1.00 0.00 C ATOM 197 CD2 LEU A 16 -0.373 6.411 4.501 1.00 0.00 C ATOM 0 H LEU A 16 -2.158 10.257 3.027 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.013 8.624 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.141 7.895 3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.009 8.855 3.976 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.573 7.455 5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.569 5.274 5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.720 6.598 5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.033 5.690 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.165 5.554 5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.479 6.076 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.450 7.123 4.569 1.00 0.00 H new ATOM 209 N GLY A 17 -2.274 10.735 6.211 1.00 0.00 N ATOM 210 CA GLY A 17 -2.215 11.400 7.497 1.00 0.00 C ATOM 211 C GLY A 17 -2.718 12.815 7.323 1.00 0.00 C ATOM 212 O GLY A 17 -1.960 13.768 7.519 1.00 0.00 O ATOM 0 H GLY A 17 -1.728 11.209 5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.824 10.868 8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.193 11.404 7.876 1.00 0.00 H new ATOM 216 N THR A 18 -3.969 12.945 6.900 1.00 0.00 N ATOM 217 CA THR A 18 -4.744 14.172 6.965 1.00 0.00 C ATOM 218 C THR A 18 -6.227 13.781 6.955 1.00 0.00 C ATOM 219 O THR A 18 -7.029 14.392 7.653 1.00 0.00 O ATOM 220 CB THR A 18 -4.313 15.127 5.825 1.00 0.00 C ATOM 221 OG1 THR A 18 -4.284 16.471 6.255 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.138 15.069 4.540 1.00 0.00 C ATOM 0 H THR A 18 -4.488 12.170 6.488 1.00 0.00 H new ATOM 0 HA THR A 18 -4.564 14.734 7.881 1.00 0.00 H new ATOM 0 HB THR A 18 -3.319 14.756 5.576 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.006 17.046 5.512 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.739 15.782 3.819 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.089 14.064 4.121 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.175 15.319 4.762 1.00 0.00 H new ATOM 230 N ASP A 19 -6.591 12.709 6.234 1.00 0.00 N ATOM 231 CA ASP A 19 -7.969 12.228 6.133 1.00 0.00 C ATOM 232 C ASP A 19 -8.452 11.556 7.416 1.00 0.00 C ATOM 233 O ASP A 19 -9.647 11.372 7.613 1.00 0.00 O ATOM 234 CB ASP A 19 -8.069 11.197 5.002 1.00 0.00 C ATOM 235 CG ASP A 19 -9.437 11.160 4.329 1.00 0.00 C ATOM 236 OD1 ASP A 19 -10.131 12.206 4.325 1.00 0.00 O ATOM 237 OD2 ASP A 19 -9.721 10.147 3.658 1.00 0.00 O ATOM 0 H ASP A 19 -5.926 12.149 5.701 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.593 13.101 5.941 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.310 11.418 4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.843 10.208 5.402 1.00 0.00 H new ATOM 242 N ASP A 20 -7.494 11.172 8.260 1.00 0.00 N ATOM 243 CA ASP A 20 -7.564 10.618 9.611 1.00 0.00 C ATOM 244 C ASP A 20 -8.353 9.310 9.791 1.00 0.00 C ATOM 245 O ASP A 20 -8.115 8.599 10.771 1.00 0.00 O ATOM 246 CB ASP A 20 -7.989 11.708 10.599 1.00 0.00 C ATOM 247 CG ASP A 20 -7.510 11.355 12.001 1.00 0.00 C ATOM 248 OD1 ASP A 20 -6.314 11.590 12.300 1.00 0.00 O ATOM 249 OD2 ASP A 20 -8.323 10.850 12.803 1.00 0.00 O ATOM 0 H ASP A 20 -6.519 11.254 7.971 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.549 10.289 9.832 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.573 12.669 10.295 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.074 11.814 10.592 1.00 0.00 H new ATOM 254 N ASN A 21 -9.186 8.911 8.823 1.00 0.00 N ATOM 255 CA ASN A 21 -9.676 7.535 8.663 1.00 0.00 C ATOM 256 C ASN A 21 -8.942 6.800 7.547 1.00 0.00 C ATOM 257 O ASN A 21 -9.227 5.631 7.305 1.00 0.00 O ATOM 258 CB ASN A 21 -11.189 7.485 8.372 1.00 0.00 C ATOM 259 CG ASN A 21 -11.877 6.236 8.926 1.00 0.00 C ATOM 260 OD1 ASN A 21 -11.386 5.575 9.838 1.00 0.00 O ATOM 261 ND2 ASN A 21 -13.104 5.975 8.515 1.00 0.00 N ATOM 0 H ASN A 21 -9.547 9.549 8.113 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.481 7.040 9.615 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.662 8.370 8.798 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.345 7.528 7.294 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.641 5.227 8.954 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.515 6.521 7.758 1.00 0.00 H new ATOM 268 N ALA A 22 -8.024 7.463 6.831 1.00 0.00 N ATOM 269 CA ALA A 22 -7.278 6.791 5.785 1.00 0.00 C ATOM 270 C ALA A 22 -6.427 5.656 6.367 1.00 0.00 C ATOM 271 O ALA A 22 -5.935 5.704 7.505 1.00 0.00 O ATOM 272 CB ALA A 22 -6.425 7.786 5.002 1.00 0.00 C ATOM 0 H ALA A 22 -7.790 8.447 6.961 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.988 6.346 5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.874 7.259 4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.069 8.538 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.721 8.273 5.677 1.00 0.00 H new ATOM 278 N GLN A 23 -6.230 4.628 5.549 1.00 0.00 N ATOM 279 CA GLN A 23 -5.484 3.421 5.868 1.00 0.00 C ATOM 280 C GLN A 23 -4.633 3.025 4.661 1.00 0.00 C ATOM 281 O GLN A 23 -4.763 3.600 3.580 1.00 0.00 O ATOM 282 CB GLN A 23 -6.473 2.302 6.222 1.00 0.00 C ATOM 283 CG GLN A 23 -7.132 2.411 7.617 1.00 0.00 C ATOM 284 CD GLN A 23 -6.425 1.609 8.706 1.00 0.00 C ATOM 285 OE1 GLN A 23 -6.941 0.635 9.247 1.00 0.00 O ATOM 286 NE2 GLN A 23 -5.192 1.926 9.053 1.00 0.00 N ATOM 0 H GLN A 23 -6.605 4.615 4.601 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.826 3.594 6.720 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.260 2.285 5.468 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.951 1.347 6.160 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.159 3.460 7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.166 2.073 7.546 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.732 2.729 8.624 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.699 1.368 9.750 1.00 0.00 H new ATOM 295 N LEU A 24 -3.785 2.007 4.822 1.00 0.00 N ATOM 296 CA LEU A 24 -2.789 1.602 3.839 1.00 0.00 C ATOM 297 C LEU A 24 -2.822 0.082 3.668 1.00 0.00 C ATOM 298 O LEU A 24 -2.785 -0.647 4.668 1.00 0.00 O ATOM 299 CB LEU A 24 -1.427 2.102 4.343 1.00 0.00 C ATOM 300 CG LEU A 24 -0.369 2.414 3.277 1.00 0.00 C ATOM 301 CD1 LEU A 24 0.066 1.211 2.434 1.00 0.00 C ATOM 302 CD2 LEU A 24 -0.824 3.559 2.376 1.00 0.00 C ATOM 0 H LEU A 24 -3.775 1.429 5.663 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.989 2.032 2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.593 3.004 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.018 1.351 5.019 1.00 0.00 H new ATOM 0 HG LEU A 24 0.516 2.714 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.815 1.527 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.491 0.446 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.798 0.803 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.057 3.761 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.753 3.282 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.988 4.453 2.978 1.00 0.00 H new ATOM 314 N LEU A 25 -2.907 -0.392 2.422 1.00 0.00 N ATOM 315 CA LEU A 25 -2.851 -1.808 2.061 1.00 0.00 C ATOM 316 C LEU A 25 -1.659 -1.989 1.148 1.00 0.00 C ATOM 317 O LEU A 25 -1.719 -1.773 -0.059 1.00 0.00 O ATOM 318 CB LEU A 25 -4.163 -2.333 1.431 1.00 0.00 C ATOM 319 CG LEU A 25 -4.601 -3.759 1.816 1.00 0.00 C ATOM 320 CD1 LEU A 25 -3.873 -4.833 1.029 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.417 -4.094 3.285 1.00 0.00 C ATOM 0 H LEU A 25 -3.020 0.219 1.613 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.735 -2.409 2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.966 -1.647 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.059 -2.292 0.347 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.664 -3.756 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.224 -5.816 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.070 -4.701 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.801 -4.755 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.750 -5.115 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.364 -4.002 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.005 -3.406 3.892 1.00 0.00 H new ATOM 333 N ASP A 26 -0.534 -2.288 1.765 1.00 0.00 N ATOM 334 CA ASP A 26 0.667 -2.701 1.077 1.00 0.00 C ATOM 335 C ASP A 26 0.389 -4.084 0.484 1.00 0.00 C ATOM 336 O ASP A 26 0.135 -5.045 1.219 1.00 0.00 O ATOM 337 CB ASP A 26 1.796 -2.667 2.103 1.00 0.00 C ATOM 338 CG ASP A 26 3.108 -3.273 1.649 1.00 0.00 C ATOM 339 OD1 ASP A 26 3.189 -3.761 0.507 1.00 0.00 O ATOM 340 OD2 ASP A 26 3.996 -3.268 2.532 1.00 0.00 O ATOM 0 H ASP A 26 -0.429 -2.249 2.779 1.00 0.00 H new ATOM 0 HA ASP A 26 0.964 -2.055 0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.974 -1.630 2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.465 -3.191 3.000 1.00 0.00 H new ATOM 345 N ILE A 27 0.349 -4.160 -0.846 1.00 0.00 N ATOM 346 CA ILE A 27 0.141 -5.384 -1.609 1.00 0.00 C ATOM 347 C ILE A 27 1.467 -5.945 -2.149 1.00 0.00 C ATOM 348 O ILE A 27 1.438 -6.792 -3.054 1.00 0.00 O ATOM 349 CB ILE A 27 -0.929 -5.208 -2.709 1.00 0.00 C ATOM 350 CG1 ILE A 27 -0.548 -4.182 -3.792 1.00 0.00 C ATOM 351 CG2 ILE A 27 -2.295 -4.901 -2.076 1.00 0.00 C ATOM 352 CD1 ILE A 27 -1.331 -4.395 -5.095 1.00 0.00 C ATOM 0 H ILE A 27 0.465 -3.339 -1.440 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.256 -6.132 -0.923 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.994 -6.158 -3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.735 -3.175 -3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.520 -4.252 -3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.041 -4.779 -2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.587 -5.724 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.228 -3.982 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.028 -3.648 -5.828 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.124 -5.391 -5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.399 -4.298 -4.898 1.00 0.00 H new ATOM 364 N ARG A 28 2.625 -5.449 -1.696 1.00 0.00 N ATOM 365 CA ARG A 28 3.918 -5.898 -2.199 1.00 0.00 C ATOM 366 C ARG A 28 4.186 -7.327 -1.764 1.00 0.00 C ATOM 367 O ARG A 28 3.681 -7.795 -0.744 1.00 0.00 O ATOM 368 CB ARG A 28 5.047 -4.942 -1.779 1.00 0.00 C ATOM 369 CG ARG A 28 4.776 -3.557 -2.391 1.00 0.00 C ATOM 370 CD ARG A 28 5.979 -2.610 -2.447 1.00 0.00 C ATOM 371 NE ARG A 28 7.190 -3.152 -3.105 1.00 0.00 N ATOM 372 CZ ARG A 28 8.416 -2.663 -2.877 1.00 0.00 C ATOM 373 NH1 ARG A 28 8.620 -1.886 -1.833 1.00 0.00 N ATOM 374 NH2 ARG A 28 9.432 -2.943 -3.681 1.00 0.00 N ATOM 0 H ARG A 28 2.687 -4.730 -0.975 1.00 0.00 H new ATOM 0 HA ARG A 28 3.889 -5.883 -3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.097 -4.871 -0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.010 -5.323 -2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.398 -3.695 -3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.984 -3.075 -1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.679 -1.701 -2.969 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.239 -2.321 -1.429 1.00 0.00 H new ATOM 0 HE ARG A 28 7.086 -3.929 -3.758 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.848 -1.661 -1.206 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.550 -1.509 -1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.289 -3.543 -4.494 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.357 -2.559 -3.487 1.00 0.00 H new ATOM 388 N ALA A 29 4.961 -8.046 -2.574 1.00 0.00 N ATOM 389 CA ALA A 29 5.315 -9.426 -2.301 1.00 0.00 C ATOM 390 C ALA A 29 6.132 -9.501 -1.025 1.00 0.00 C ATOM 391 O ALA A 29 6.962 -8.640 -0.773 1.00 0.00 O ATOM 392 CB ALA A 29 6.117 -9.996 -3.464 1.00 0.00 C ATOM 0 H ALA A 29 5.359 -7.681 -3.439 1.00 0.00 H new ATOM 0 HA ALA A 29 4.404 -10.012 -2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.379 -11.032 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.519 -9.952 -4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.027 -9.412 -3.599 1.00 0.00 H new ATOM 398 N THR A 30 5.997 -10.588 -0.273 1.00 0.00 N ATOM 399 CA THR A 30 6.724 -10.784 0.974 1.00 0.00 C ATOM 400 C THR A 30 8.256 -10.688 0.812 1.00 0.00 C ATOM 401 O THR A 30 8.949 -10.380 1.782 1.00 0.00 O ATOM 402 CB THR A 30 6.259 -12.111 1.567 1.00 0.00 C ATOM 403 OG1 THR A 30 4.852 -12.043 1.753 1.00 0.00 O ATOM 404 CG2 THR A 30 6.903 -12.414 2.914 1.00 0.00 C ATOM 0 H THR A 30 5.377 -11.361 -0.513 1.00 0.00 H new ATOM 0 HA THR A 30 6.496 -9.972 1.665 1.00 0.00 H new ATOM 0 HB THR A 30 6.549 -12.903 0.876 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.531 -12.888 2.132 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.534 -13.370 3.287 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.986 -12.463 2.797 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.650 -11.626 3.624 1.00 0.00 H new ATOM 412 N ALA A 31 8.793 -10.886 -0.393 1.00 0.00 N ATOM 413 CA ALA A 31 10.211 -10.720 -0.654 1.00 0.00 C ATOM 414 C ALA A 31 10.677 -9.259 -0.607 1.00 0.00 C ATOM 415 O ALA A 31 11.855 -9.019 -0.338 1.00 0.00 O ATOM 416 CB ALA A 31 10.532 -11.318 -2.010 1.00 0.00 C ATOM 0 H ALA A 31 8.251 -11.166 -1.211 1.00 0.00 H new ATOM 0 HA ALA A 31 10.748 -11.236 0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.595 -11.199 -2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.279 -12.378 -2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.953 -10.807 -2.779 1.00 0.00 H new ATOM 422 N ASP A 32 9.796 -8.287 -0.876 1.00 0.00 N ATOM 423 CA ASP A 32 10.115 -6.858 -0.780 1.00 0.00 C ATOM 424 C ASP A 32 10.624 -6.568 0.629 1.00 0.00 C ATOM 425 O ASP A 32 11.745 -6.094 0.783 1.00 0.00 O ATOM 426 CB ASP A 32 8.923 -5.972 -1.193 1.00 0.00 C ATOM 427 CG ASP A 32 8.902 -4.603 -0.496 1.00 0.00 C ATOM 428 OD1 ASP A 32 9.980 -4.008 -0.307 1.00 0.00 O ATOM 429 OD2 ASP A 32 7.799 -4.062 -0.292 1.00 0.00 O ATOM 0 H ASP A 32 8.836 -8.472 -1.168 1.00 0.00 H new ATOM 0 HA ASP A 32 10.904 -6.607 -1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.951 -5.820 -2.272 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.995 -6.498 -0.969 1.00 0.00 H new ATOM 434 N PHE A 33 9.911 -7.035 1.653 1.00 0.00 N ATOM 435 CA PHE A 33 10.248 -6.912 3.071 1.00 0.00 C ATOM 436 C PHE A 33 11.620 -7.505 3.430 1.00 0.00 C ATOM 437 O PHE A 33 12.071 -7.359 4.569 1.00 0.00 O ATOM 438 CB PHE A 33 9.119 -7.520 3.930 1.00 0.00 C ATOM 439 CG PHE A 33 7.703 -7.080 3.557 1.00 0.00 C ATOM 440 CD1 PHE A 33 7.098 -7.600 2.399 1.00 0.00 C ATOM 441 CD2 PHE A 33 6.998 -6.127 4.320 1.00 0.00 C ATOM 442 CE1 PHE A 33 5.848 -7.145 1.964 1.00 0.00 C ATOM 443 CE2 PHE A 33 5.736 -5.666 3.882 1.00 0.00 C ATOM 444 CZ PHE A 33 5.177 -6.159 2.690 1.00 0.00 C ATOM 0 H PHE A 33 9.035 -7.537 1.508 1.00 0.00 H new ATOM 0 HA PHE A 33 10.333 -5.848 3.292 1.00 0.00 H new ATOM 0 HB2 PHE A 33 9.175 -8.606 3.857 1.00 0.00 H new ATOM 0 HB3 PHE A 33 9.299 -7.261 4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.608 -8.366 1.834 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.422 -5.749 5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.404 -7.555 1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.199 -4.932 4.465 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.231 -5.776 2.337 1.00 0.00 H new ATOM 454 N ARG A 34 12.305 -8.171 2.494 1.00 0.00 N ATOM 455 CA ARG A 34 13.625 -8.752 2.671 1.00 0.00 C ATOM 456 C ARG A 34 14.694 -7.999 1.887 1.00 0.00 C ATOM 457 O ARG A 34 15.854 -8.050 2.300 1.00 0.00 O ATOM 458 CB ARG A 34 13.587 -10.214 2.208 1.00 0.00 C ATOM 459 CG ARG A 34 12.339 -10.951 2.719 1.00 0.00 C ATOM 460 CD ARG A 34 12.452 -12.455 2.512 1.00 0.00 C ATOM 461 NE ARG A 34 11.623 -13.213 3.465 1.00 0.00 N ATOM 462 CZ ARG A 34 11.867 -13.407 4.767 1.00 0.00 C ATOM 463 NH1 ARG A 34 12.915 -12.854 5.368 1.00 0.00 N ATOM 464 NH2 ARG A 34 11.042 -14.167 5.475 1.00 0.00 N ATOM 0 H ARG A 34 11.933 -8.322 1.556 1.00 0.00 H new ATOM 0 HA ARG A 34 13.886 -8.685 3.727 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.607 -10.249 1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.481 -10.729 2.560 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.199 -10.739 3.779 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.457 -10.577 2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.151 -12.703 1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.494 -12.757 2.619 1.00 0.00 H new ATOM 0 HE ARG A 34 10.772 -13.635 3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.556 -12.266 4.836 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.078 -13.018 6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.232 -14.596 5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.217 -14.322 6.468 1.00 0.00 H new ATOM 478 N GLN A 35 14.330 -7.347 0.779 1.00 0.00 N ATOM 479 CA GLN A 35 15.248 -6.803 -0.223 1.00 0.00 C ATOM 480 C GLN A 35 15.149 -5.273 -0.336 1.00 0.00 C ATOM 481 O GLN A 35 16.107 -4.617 -0.735 1.00 0.00 O ATOM 482 CB GLN A 35 14.991 -7.526 -1.562 1.00 0.00 C ATOM 483 CG GLN A 35 13.826 -6.941 -2.384 1.00 0.00 C ATOM 484 CD GLN A 35 13.191 -7.876 -3.415 1.00 0.00 C ATOM 485 OE1 GLN A 35 12.881 -7.473 -4.535 1.00 0.00 O ATOM 486 NE2 GLN A 35 12.902 -9.114 -3.062 1.00 0.00 N ATOM 0 H GLN A 35 13.351 -7.178 0.548 1.00 0.00 H new ATOM 0 HA GLN A 35 16.277 -6.989 0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.900 -7.488 -2.163 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.786 -8.577 -1.361 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.049 -6.615 -1.693 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.185 -6.052 -2.903 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.157 -9.453 -2.134 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.423 -9.733 -3.717 1.00 0.00 H new ATOM 495 N VAL A 36 14.004 -4.688 0.013 1.00 0.00 N ATOM 496 CA VAL A 36 13.730 -3.259 -0.066 1.00 0.00 C ATOM 497 C VAL A 36 13.092 -2.768 1.244 1.00 0.00 C ATOM 498 O VAL A 36 13.605 -1.804 1.813 1.00 0.00 O ATOM 499 CB VAL A 36 12.906 -2.917 -1.323 1.00 0.00 C ATOM 500 CG1 VAL A 36 12.628 -1.414 -1.396 1.00 0.00 C ATOM 501 CG2 VAL A 36 13.533 -3.367 -2.652 1.00 0.00 C ATOM 0 H VAL A 36 13.212 -5.221 0.373 1.00 0.00 H new ATOM 0 HA VAL A 36 14.669 -2.717 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 36 11.983 -3.484 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.045 -1.195 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.068 -1.104 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 36 13.572 -0.871 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.880 -3.082 -3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 36 14.505 -2.889 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.659 -4.450 -2.647 1.00 0.00 H new ATOM 511 N GLY A 37 12.071 -3.429 1.807 1.00 0.00 N ATOM 512 CA GLY A 37 11.564 -3.137 3.149 1.00 0.00 C ATOM 513 C GLY A 37 10.047 -3.025 3.208 1.00 0.00 C ATOM 514 O GLY A 37 9.338 -3.891 2.716 1.00 0.00 O ATOM 0 H GLY A 37 11.573 -4.186 1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.890 -3.921 3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.004 -2.204 3.501 1.00 0.00 H new ATOM 518 N SER A 38 9.558 -2.012 3.915 1.00 0.00 N ATOM 519 CA SER A 38 8.136 -1.770 4.112 1.00 0.00 C ATOM 520 C SER A 38 7.901 -0.273 4.366 1.00 0.00 C ATOM 521 O SER A 38 8.808 0.403 4.852 1.00 0.00 O ATOM 522 CB SER A 38 7.613 -2.641 5.271 1.00 0.00 C ATOM 523 OG SER A 38 8.606 -3.034 6.223 1.00 0.00 O ATOM 0 H SER A 38 10.152 -1.323 4.376 1.00 0.00 H new ATOM 0 HA SER A 38 7.581 -2.048 3.216 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.827 -2.094 5.792 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.154 -3.538 4.854 1.00 0.00 H new ATOM 0 HG SER A 38 8.190 -3.580 6.923 1.00 0.00 H new ATOM 529 N PRO A 39 6.696 0.260 4.110 1.00 0.00 N ATOM 530 CA PRO A 39 6.397 1.683 4.245 1.00 0.00 C ATOM 531 C PRO A 39 6.200 2.115 5.705 1.00 0.00 C ATOM 532 O PRO A 39 5.332 1.596 6.418 1.00 0.00 O ATOM 533 CB PRO A 39 5.129 1.884 3.404 1.00 0.00 C ATOM 534 CG PRO A 39 4.418 0.530 3.507 1.00 0.00 C ATOM 535 CD PRO A 39 5.575 -0.458 3.525 1.00 0.00 C ATOM 0 HA PRO A 39 7.225 2.304 3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.512 2.693 3.794 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.368 2.135 2.371 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.812 0.459 4.410 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.752 0.358 2.662 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.326 -1.342 4.113 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.812 -0.801 2.518 1.00 0.00 H new ATOM 543 N ASN A 40 6.996 3.084 6.176 1.00 0.00 N ATOM 544 CA ASN A 40 6.876 3.600 7.542 1.00 0.00 C ATOM 545 C ASN A 40 5.844 4.719 7.576 1.00 0.00 C ATOM 546 O ASN A 40 6.187 5.890 7.509 1.00 0.00 O ATOM 547 CB ASN A 40 8.210 4.089 8.133 1.00 0.00 C ATOM 548 CG ASN A 40 8.005 4.717 9.511 1.00 0.00 C ATOM 549 OD1 ASN A 40 8.340 5.872 9.750 1.00 0.00 O ATOM 550 ND2 ASN A 40 7.460 3.987 10.474 1.00 0.00 N ATOM 0 H ASN A 40 7.733 3.527 5.627 1.00 0.00 H new ATOM 0 HA ASN A 40 6.554 2.767 8.167 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.905 3.253 8.211 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.663 4.818 7.461 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.323 4.387 11.402 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.177 3.025 10.287 1.00 0.00 H new ATOM 557 N ILE A 41 4.572 4.374 7.732 1.00 0.00 N ATOM 558 CA ILE A 41 3.507 5.363 7.950 1.00 0.00 C ATOM 559 C ILE A 41 3.173 5.521 9.437 1.00 0.00 C ATOM 560 O ILE A 41 2.195 6.180 9.788 1.00 0.00 O ATOM 561 CB ILE A 41 2.288 5.026 7.077 1.00 0.00 C ATOM 562 CG1 ILE A 41 1.673 3.648 7.416 1.00 0.00 C ATOM 563 CG2 ILE A 41 2.727 5.080 5.602 1.00 0.00 C ATOM 564 CD1 ILE A 41 0.148 3.705 7.539 1.00 0.00 C ATOM 0 H ILE A 41 4.244 3.408 7.712 1.00 0.00 H new ATOM 0 HA ILE A 41 3.863 6.344 7.634 1.00 0.00 H new ATOM 0 HB ILE A 41 1.505 5.758 7.273 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.946 2.931 6.642 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.097 3.284 8.352 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.878 4.844 4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.092 6.080 5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.522 4.354 5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.235 2.713 7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.127 4.401 8.332 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.281 4.042 6.595 1.00 0.00 H new ATOM 576 N LYS A 42 3.951 4.886 10.322 1.00 0.00 N ATOM 577 CA LYS A 42 3.671 4.870 11.753 1.00 0.00 C ATOM 578 C LYS A 42 3.847 6.254 12.374 1.00 0.00 C ATOM 579 O LYS A 42 3.207 6.527 13.383 1.00 0.00 O ATOM 580 CB LYS A 42 4.525 3.796 12.450 1.00 0.00 C ATOM 581 CG LYS A 42 3.734 2.841 13.365 1.00 0.00 C ATOM 582 CD LYS A 42 3.302 3.432 14.713 1.00 0.00 C ATOM 583 CE LYS A 42 4.526 3.600 15.613 1.00 0.00 C ATOM 584 NZ LYS A 42 4.210 4.235 16.901 1.00 0.00 N ATOM 0 H LYS A 42 4.791 4.370 10.061 1.00 0.00 H new ATOM 0 HA LYS A 42 2.624 4.604 11.901 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.037 3.208 11.689 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.295 4.291 13.042 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.844 2.507 12.831 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.343 1.957 13.553 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.815 4.395 14.560 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.573 2.778 15.192 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.972 2.623 15.796 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.273 4.199 15.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.078 4.322 17.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.810 5.180 16.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.518 3.653 17.415 1.00 0.00 H new ATOM 598 N GLY A 43 4.626 7.154 11.770 1.00 0.00 N ATOM 599 CA GLY A 43 4.710 8.532 12.233 1.00 0.00 C ATOM 600 C GLY A 43 3.386 9.275 12.041 1.00 0.00 C ATOM 601 O GLY A 43 3.079 10.186 12.812 1.00 0.00 O ATOM 0 H GLY A 43 5.207 6.948 10.958 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.985 8.545 13.288 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.500 9.051 11.691 1.00 0.00 H new ATOM 605 N LEU A 44 2.554 8.857 11.080 1.00 0.00 N ATOM 606 CA LEU A 44 1.185 9.345 10.947 1.00 0.00 C ATOM 607 C LEU A 44 0.247 8.744 12.008 1.00 0.00 C ATOM 608 O LEU A 44 -0.866 9.249 12.162 1.00 0.00 O ATOM 609 CB LEU A 44 0.623 9.044 9.547 1.00 0.00 C ATOM 610 CG LEU A 44 1.402 9.544 8.328 1.00 0.00 C ATOM 611 CD1 LEU A 44 0.613 9.130 7.080 1.00 0.00 C ATOM 612 CD2 LEU A 44 1.644 11.057 8.397 1.00 0.00 C ATOM 0 H LEU A 44 2.816 8.169 10.374 1.00 0.00 H new ATOM 0 HA LEU A 44 1.228 10.424 11.098 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.521 7.963 9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.381 9.464 9.495 1.00 0.00 H new ATOM 0 HG LEU A 44 2.395 9.097 8.296 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.139 9.470 6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.518 8.045 7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.379 9.581 7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.200 11.377 7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.687 11.577 8.431 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.218 11.293 9.293 1.00 0.00 H new ATOM 624 N GLY A 45 0.649 7.696 12.736 1.00 0.00 N ATOM 625 CA GLY A 45 -0.165 7.056 13.764 1.00 0.00 C ATOM 626 C GLY A 45 0.079 5.552 13.890 1.00 0.00 C ATOM 627 O GLY A 45 0.220 5.038 14.995 1.00 0.00 O ATOM 0 H GLY A 45 1.566 7.265 12.622 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.038 7.530 14.724 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.218 7.227 13.541 1.00 0.00 H new ATOM 631 N LYS A 46 0.034 4.814 12.780 1.00 0.00 N ATOM 632 CA LYS A 46 -0.167 3.364 12.756 1.00 0.00 C ATOM 633 C LYS A 46 0.499 2.758 11.536 1.00 0.00 C ATOM 634 O LYS A 46 0.961 3.460 10.642 1.00 0.00 O ATOM 635 CB LYS A 46 -1.672 3.014 12.827 1.00 0.00 C ATOM 636 CG LYS A 46 -2.653 3.850 11.979 1.00 0.00 C ATOM 637 CD LYS A 46 -2.601 3.650 10.460 1.00 0.00 C ATOM 638 CE LYS A 46 -3.432 4.686 9.668 1.00 0.00 C ATOM 639 NZ LYS A 46 -4.842 4.863 10.097 1.00 0.00 N ATOM 0 H LYS A 46 0.139 5.218 11.849 1.00 0.00 H new ATOM 0 HA LYS A 46 0.304 2.931 13.638 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.786 1.970 12.536 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.983 3.090 13.869 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.666 3.629 12.316 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.470 4.904 12.189 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.563 3.702 10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.962 2.649 10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.930 5.651 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.428 4.397 8.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.431 5.088 9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.184 3.985 10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.900 5.640 10.785 1.00 0.00 H new ATOM 653 N LYS A 47 0.634 1.435 11.516 1.00 0.00 N ATOM 654 CA LYS A 47 1.352 0.772 10.435 1.00 0.00 C ATOM 655 C LYS A 47 0.404 0.517 9.267 1.00 0.00 C ATOM 656 O LYS A 47 -0.825 0.594 9.401 1.00 0.00 O ATOM 657 CB LYS A 47 2.007 -0.521 10.940 1.00 0.00 C ATOM 658 CG LYS A 47 3.339 -0.817 10.230 1.00 0.00 C ATOM 659 CD LYS A 47 4.536 -0.175 10.949 1.00 0.00 C ATOM 660 CE LYS A 47 5.031 -1.049 12.109 1.00 0.00 C ATOM 661 NZ LYS A 47 5.769 -2.233 11.624 1.00 0.00 N ATOM 0 H LYS A 47 0.260 0.808 12.228 1.00 0.00 H new ATOM 0 HA LYS A 47 2.154 1.419 10.079 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.180 -0.443 12.013 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.323 -1.356 10.787 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.487 -1.895 10.174 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.292 -0.448 9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.347 -0.019 10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.250 0.806 11.328 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.677 -0.459 12.760 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.181 -1.371 12.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.259 -2.687 12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.102 -2.907 11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.467 -1.939 10.911 1.00 0.00 H new ATOM 675 N ALA A 48 0.977 0.196 8.112 1.00 0.00 N ATOM 676 CA ALA A 48 0.249 -0.371 6.996 1.00 0.00 C ATOM 677 C ALA A 48 -0.076 -1.837 7.294 1.00 0.00 C ATOM 678 O ALA A 48 0.612 -2.491 8.085 1.00 0.00 O ATOM 679 CB ALA A 48 1.122 -0.253 5.746 1.00 0.00 C ATOM 0 H ALA A 48 1.972 0.326 7.928 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.689 0.161 6.835 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.593 -0.675 4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.343 0.797 5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.054 -0.797 5.900 1.00 0.00 H new ATOM 685 N VAL A 49 -1.116 -2.352 6.652 1.00 0.00 N ATOM 686 CA VAL A 49 -1.377 -3.782 6.539 1.00 0.00 C ATOM 687 C VAL A 49 -0.585 -4.259 5.326 1.00 0.00 C ATOM 688 O VAL A 49 -0.488 -3.508 4.359 1.00 0.00 O ATOM 689 CB VAL A 49 -2.892 -3.977 6.341 1.00 0.00 C ATOM 690 CG1 VAL A 49 -3.280 -5.433 6.063 1.00 0.00 C ATOM 691 CG2 VAL A 49 -3.677 -3.511 7.579 1.00 0.00 C ATOM 0 H VAL A 49 -1.817 -1.776 6.185 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.079 -4.347 7.422 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.147 -3.374 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.360 -5.503 5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.782 -5.775 5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.974 -6.058 6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.744 -3.660 7.411 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.362 -4.089 8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.482 -2.453 7.756 1.00 0.00 H new ATOM 701 N SER A 50 -0.061 -5.484 5.364 1.00 0.00 N ATOM 702 CA SER A 50 0.762 -6.068 4.314 1.00 0.00 C ATOM 703 C SER A 50 0.112 -7.383 3.865 1.00 0.00 C ATOM 704 O SER A 50 0.124 -8.357 4.627 1.00 0.00 O ATOM 705 CB SER A 50 2.191 -6.285 4.825 1.00 0.00 C ATOM 706 OG SER A 50 2.631 -5.286 5.736 1.00 0.00 O ATOM 0 H SER A 50 -0.204 -6.114 6.153 1.00 0.00 H new ATOM 0 HA SER A 50 0.826 -5.396 3.458 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.249 -7.259 5.312 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.871 -6.313 3.974 1.00 0.00 H new ATOM 0 HG SER A 50 3.547 -5.485 6.023 1.00 0.00 H new ATOM 712 N THR A 51 -0.501 -7.417 2.684 1.00 0.00 N ATOM 713 CA THR A 51 -1.266 -8.548 2.159 1.00 0.00 C ATOM 714 C THR A 51 -1.030 -8.591 0.647 1.00 0.00 C ATOM 715 O THR A 51 -1.601 -7.772 -0.067 1.00 0.00 O ATOM 716 CB THR A 51 -2.761 -8.340 2.480 1.00 0.00 C ATOM 717 OG1 THR A 51 -3.001 -8.133 3.865 1.00 0.00 O ATOM 718 CG2 THR A 51 -3.643 -9.499 2.011 1.00 0.00 C ATOM 0 H THR A 51 -0.478 -6.626 2.040 1.00 0.00 H new ATOM 0 HA THR A 51 -0.954 -9.490 2.610 1.00 0.00 H new ATOM 0 HB THR A 51 -3.030 -7.441 1.926 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.961 -8.005 4.015 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.682 -9.292 2.266 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.550 -9.613 0.931 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.326 -10.419 2.501 1.00 0.00 H new ATOM 726 N VAL A 52 -0.172 -9.484 0.144 1.00 0.00 N ATOM 727 CA VAL A 52 0.164 -9.524 -1.279 1.00 0.00 C ATOM 728 C VAL A 52 -1.109 -9.781 -2.092 1.00 0.00 C ATOM 729 O VAL A 52 -1.795 -10.783 -1.865 1.00 0.00 O ATOM 730 CB VAL A 52 1.244 -10.578 -1.606 1.00 0.00 C ATOM 731 CG1 VAL A 52 1.923 -10.225 -2.935 1.00 0.00 C ATOM 732 CG2 VAL A 52 2.263 -10.830 -0.479 1.00 0.00 C ATOM 0 H VAL A 52 0.303 -10.191 0.705 1.00 0.00 H new ATOM 0 HA VAL A 52 0.588 -8.557 -1.550 1.00 0.00 H new ATOM 0 HB VAL A 52 0.728 -11.533 -1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.685 -10.970 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.179 -10.211 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.389 -9.243 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.981 -11.584 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.789 -9.903 -0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.741 -11.181 0.411 1.00 0.00 H new ATOM 742 N TYR A 53 -1.441 -8.877 -3.018 1.00 0.00 N ATOM 743 CA TYR A 53 -2.587 -9.069 -3.892 1.00 0.00 C ATOM 744 C TYR A 53 -2.270 -10.104 -4.964 1.00 0.00 C ATOM 745 O TYR A 53 -1.160 -10.143 -5.507 1.00 0.00 O ATOM 746 CB TYR A 53 -3.031 -7.757 -4.551 1.00 0.00 C ATOM 747 CG TYR A 53 -4.198 -7.951 -5.505 1.00 0.00 C ATOM 748 CD1 TYR A 53 -5.420 -8.444 -5.017 1.00 0.00 C ATOM 749 CD2 TYR A 53 -4.058 -7.692 -6.880 1.00 0.00 C ATOM 750 CE1 TYR A 53 -6.495 -8.685 -5.884 1.00 0.00 C ATOM 751 CE2 TYR A 53 -5.121 -7.954 -7.767 1.00 0.00 C ATOM 752 CZ TYR A 53 -6.348 -8.449 -7.267 1.00 0.00 C ATOM 753 OH TYR A 53 -7.383 -8.726 -8.106 1.00 0.00 O ATOM 0 H TYR A 53 -0.930 -8.009 -3.177 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.409 -9.427 -3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.313 -7.043 -3.777 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.191 -7.324 -5.093 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.532 -8.640 -3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.130 -7.290 -7.259 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.433 -9.050 -5.494 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.999 -7.777 -8.825 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.125 -8.508 -9.026 1.00 0.00 H new ATOM 763 N ASN A 54 -3.284 -10.893 -5.310 1.00 0.00 N ATOM 764 CA ASN A 54 -3.297 -11.750 -6.487 1.00 0.00 C ATOM 765 C ASN A 54 -4.686 -11.724 -7.097 1.00 0.00 C ATOM 766 O ASN A 54 -5.677 -11.718 -6.372 1.00 0.00 O ATOM 767 CB ASN A 54 -2.917 -13.198 -6.135 1.00 0.00 C ATOM 768 CG ASN A 54 -1.414 -13.388 -6.069 1.00 0.00 C ATOM 769 OD1 ASN A 54 -0.862 -13.737 -5.028 1.00 0.00 O ATOM 770 ND2 ASN A 54 -0.713 -13.220 -7.178 1.00 0.00 N ATOM 0 H ASN A 54 -4.142 -10.954 -4.762 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.560 -11.375 -7.197 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.359 -13.466 -5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.336 -13.875 -6.880 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.294 -13.380 -7.174 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.180 -12.930 -8.037 1.00 0.00 H new ATOM 777 N GLY A 55 -4.760 -11.754 -8.428 1.00 0.00 N ATOM 778 CA GLY A 55 -6.000 -11.734 -9.197 1.00 0.00 C ATOM 779 C GLY A 55 -6.692 -13.093 -9.301 1.00 0.00 C ATOM 780 O GLY A 55 -7.769 -13.187 -9.902 1.00 0.00 O ATOM 0 H GLY A 55 -3.929 -11.794 -9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.687 -11.022 -8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.786 -11.369 -10.202 1.00 0.00 H new ATOM 784 N GLU A 56 -6.042 -14.140 -8.798 1.00 0.00 N ATOM 785 CA GLU A 56 -6.460 -15.529 -8.884 1.00 0.00 C ATOM 786 C GLU A 56 -7.619 -15.781 -7.923 1.00 0.00 C ATOM 787 O GLU A 56 -8.719 -16.156 -8.330 1.00 0.00 O ATOM 788 CB GLU A 56 -5.226 -16.390 -8.588 1.00 0.00 C ATOM 789 CG GLU A 56 -5.467 -17.890 -8.782 1.00 0.00 C ATOM 790 CD GLU A 56 -4.133 -18.600 -8.997 1.00 0.00 C ATOM 791 OE1 GLU A 56 -3.237 -18.498 -8.131 1.00 0.00 O ATOM 792 OE2 GLU A 56 -3.900 -19.172 -10.086 1.00 0.00 O ATOM 0 H GLU A 56 -5.162 -14.031 -8.293 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.834 -15.787 -9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.409 -16.075 -9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.906 -16.211 -7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.974 -18.303 -7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.121 -18.056 -9.638 1.00 0.00 H new ATOM 799 N ASP A 57 -7.388 -15.533 -6.639 1.00 0.00 N ATOM 800 CA ASP A 57 -8.252 -15.936 -5.549 1.00 0.00 C ATOM 801 C ASP A 57 -8.712 -14.702 -4.785 1.00 0.00 C ATOM 802 O ASP A 57 -8.278 -14.423 -3.673 1.00 0.00 O ATOM 803 CB ASP A 57 -7.589 -17.035 -4.704 1.00 0.00 C ATOM 804 CG ASP A 57 -6.287 -16.653 -3.989 1.00 0.00 C ATOM 805 OD1 ASP A 57 -5.491 -15.853 -4.537 1.00 0.00 O ATOM 806 OD2 ASP A 57 -6.022 -17.247 -2.912 1.00 0.00 O ATOM 0 H ASP A 57 -6.561 -15.026 -6.323 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.162 -16.404 -5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.306 -17.368 -3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.386 -17.888 -5.351 1.00 0.00 H new ATOM 811 N LYS A 58 -9.679 -13.998 -5.383 1.00 0.00 N ATOM 812 CA LYS A 58 -10.416 -12.873 -4.799 1.00 0.00 C ATOM 813 C LYS A 58 -10.764 -13.083 -3.308 1.00 0.00 C ATOM 814 O LYS A 58 -10.318 -12.287 -2.470 1.00 0.00 O ATOM 815 CB LYS A 58 -11.650 -12.544 -5.672 1.00 0.00 C ATOM 816 CG LYS A 58 -11.356 -11.931 -7.055 1.00 0.00 C ATOM 817 CD LYS A 58 -11.223 -10.404 -7.006 1.00 0.00 C ATOM 818 CE LYS A 58 -10.749 -9.771 -8.323 1.00 0.00 C ATOM 819 NZ LYS A 58 -11.681 -10.019 -9.442 1.00 0.00 N ATOM 0 H LYS A 58 -9.984 -14.208 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.760 -12.002 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.222 -13.460 -5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.288 -11.854 -5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.435 -12.360 -7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.155 -12.201 -7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.188 -9.975 -6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.523 -10.137 -6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.633 -8.696 -8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.766 -10.167 -8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.314 -9.571 -10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.774 -11.043 -9.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.613 -9.618 -9.213 1.00 0.00 H new ATOM 833 N PRO A 59 -11.515 -14.131 -2.919 1.00 0.00 N ATOM 834 CA PRO A 59 -11.827 -14.411 -1.516 1.00 0.00 C ATOM 835 C PRO A 59 -10.606 -14.895 -0.717 1.00 0.00 C ATOM 836 O PRO A 59 -10.617 -14.883 0.513 1.00 0.00 O ATOM 837 CB PRO A 59 -12.882 -15.521 -1.569 1.00 0.00 C ATOM 838 CG PRO A 59 -12.549 -16.278 -2.853 1.00 0.00 C ATOM 839 CD PRO A 59 -12.117 -15.142 -3.773 1.00 0.00 C ATOM 0 HA PRO A 59 -12.167 -13.507 -1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.824 -16.170 -0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.892 -15.112 -1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.755 -17.009 -2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.410 -16.819 -3.245 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.405 -15.495 -4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.970 -14.735 -4.315 1.00 0.00 H new ATOM 847 N GLY A 60 -9.554 -15.354 -1.390 1.00 0.00 N ATOM 848 CA GLY A 60 -8.320 -15.850 -0.803 1.00 0.00 C ATOM 849 C GLY A 60 -7.323 -14.739 -0.520 1.00 0.00 C ATOM 850 O GLY A 60 -6.195 -15.024 -0.119 1.00 0.00 O ATOM 0 H GLY A 60 -9.542 -15.390 -2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.548 -16.374 0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.867 -16.577 -1.477 1.00 0.00 H new ATOM 854 N PHE A 61 -7.735 -13.483 -0.663 1.00 0.00 N ATOM 855 CA PHE A 61 -6.936 -12.294 -0.437 1.00 0.00 C ATOM 856 C PHE A 61 -7.625 -11.427 0.612 1.00 0.00 C ATOM 857 O PHE A 61 -7.037 -11.107 1.650 1.00 0.00 O ATOM 858 CB PHE A 61 -6.764 -11.588 -1.791 1.00 0.00 C ATOM 859 CG PHE A 61 -6.430 -10.117 -1.702 1.00 0.00 C ATOM 860 CD1 PHE A 61 -5.138 -9.719 -1.326 1.00 0.00 C ATOM 861 CD2 PHE A 61 -7.409 -9.148 -2.005 1.00 0.00 C ATOM 862 CE1 PHE A 61 -4.812 -8.354 -1.288 1.00 0.00 C ATOM 863 CE2 PHE A 61 -7.083 -7.782 -1.957 1.00 0.00 C ATOM 864 CZ PHE A 61 -5.775 -7.391 -1.624 1.00 0.00 C ATOM 0 H PHE A 61 -8.687 -13.261 -0.955 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.944 -12.526 -0.048 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.975 -12.092 -2.350 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.684 -11.703 -2.364 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.397 -10.460 -1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.409 -9.456 -2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.818 -8.045 -1.000 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.834 -7.037 -2.175 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.510 -6.344 -1.627 1.00 0.00 H new ATOM 874 N LEU A 62 -8.915 -11.136 0.410 1.00 0.00 N ATOM 875 CA LEU A 62 -9.699 -10.322 1.339 1.00 0.00 C ATOM 876 C LEU A 62 -9.749 -10.898 2.752 1.00 0.00 C ATOM 877 O LEU A 62 -10.046 -10.157 3.686 1.00 0.00 O ATOM 878 CB LEU A 62 -11.128 -10.130 0.825 1.00 0.00 C ATOM 879 CG LEU A 62 -11.205 -9.215 -0.405 1.00 0.00 C ATOM 880 CD1 LEU A 62 -12.616 -9.312 -0.965 1.00 0.00 C ATOM 881 CD2 LEU A 62 -10.888 -7.745 -0.098 1.00 0.00 C ATOM 0 H LEU A 62 -9.442 -11.459 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.187 -9.361 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.552 -11.102 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.742 -9.710 1.622 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.451 -9.550 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.704 -8.671 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.826 -10.344 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.331 -8.990 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.962 -7.158 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.599 -7.365 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.877 -7.667 0.303 1.00 0.00 H new ATOM 893 N LYS A 63 -9.431 -12.185 2.932 1.00 0.00 N ATOM 894 CA LYS A 63 -9.422 -12.863 4.211 1.00 0.00 C ATOM 895 C LYS A 63 -8.562 -12.120 5.221 1.00 0.00 C ATOM 896 O LYS A 63 -8.870 -12.171 6.411 1.00 0.00 O ATOM 897 CB LYS A 63 -9.093 -14.366 4.053 1.00 0.00 C ATOM 898 CG LYS A 63 -7.948 -14.783 3.105 1.00 0.00 C ATOM 899 CD LYS A 63 -6.608 -14.179 3.514 1.00 0.00 C ATOM 900 CE LYS A 63 -5.376 -14.919 2.981 1.00 0.00 C ATOM 901 NZ LYS A 63 -5.245 -16.315 3.436 1.00 0.00 N ATOM 0 H LYS A 63 -9.165 -12.794 2.158 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.428 -12.844 4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.861 -14.758 5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.000 -14.868 3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.866 -15.870 3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.189 -14.472 2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.571 -13.146 3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.555 -14.153 4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.407 -14.909 1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.483 -14.370 3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.302 -16.675 3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.368 -16.357 4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.973 -16.899 2.977 1.00 0.00 H new ATOM 915 N LYS A 64 -7.500 -11.420 4.796 1.00 0.00 N ATOM 916 CA LYS A 64 -6.676 -10.738 5.773 1.00 0.00 C ATOM 917 C LYS A 64 -7.324 -9.440 6.235 1.00 0.00 C ATOM 918 O LYS A 64 -7.060 -9.003 7.350 1.00 0.00 O ATOM 919 CB LYS A 64 -5.252 -10.482 5.259 1.00 0.00 C ATOM 920 CG LYS A 64 -4.502 -11.781 4.926 1.00 0.00 C ATOM 921 CD LYS A 64 -2.978 -11.694 5.096 1.00 0.00 C ATOM 922 CE LYS A 64 -2.365 -13.000 4.580 1.00 0.00 C ATOM 923 NZ LYS A 64 -0.900 -13.049 4.727 1.00 0.00 N ATOM 0 H LYS A 64 -7.209 -11.319 3.823 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.595 -11.405 6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.298 -9.855 4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.692 -9.926 6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.882 -12.579 5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.725 -12.062 3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.581 -10.843 4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.720 -11.541 6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.806 -13.839 5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.623 -13.125 3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.544 -13.955 4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.471 -12.267 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.649 -12.959 5.732 1.00 0.00 H new ATOM 937 N LEU A 65 -8.101 -8.771 5.380 1.00 0.00 N ATOM 938 CA LEU A 65 -8.582 -7.424 5.660 1.00 0.00 C ATOM 939 C LEU A 65 -9.652 -7.448 6.747 1.00 0.00 C ATOM 940 O LEU A 65 -9.674 -6.548 7.582 1.00 0.00 O ATOM 941 CB LEU A 65 -9.098 -6.725 4.387 1.00 0.00 C ATOM 942 CG LEU A 65 -7.985 -6.205 3.447 1.00 0.00 C ATOM 943 CD1 LEU A 65 -7.372 -7.274 2.535 1.00 0.00 C ATOM 944 CD2 LEU A 65 -8.531 -5.072 2.575 1.00 0.00 C ATOM 0 H LEU A 65 -8.410 -9.147 4.483 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.736 -6.842 6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.727 -7.422 3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.731 -5.887 4.679 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.187 -5.859 4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.601 -6.821 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.929 -8.062 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.149 -7.700 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.743 -4.709 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.364 -5.442 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.875 -4.257 3.211 1.00 0.00 H new ATOM 956 N SER A 66 -10.485 -8.485 6.826 1.00 0.00 N ATOM 957 CA SER A 66 -11.656 -8.554 7.690 1.00 0.00 C ATOM 958 C SER A 66 -11.361 -8.487 9.192 1.00 0.00 C ATOM 959 O SER A 66 -12.284 -8.406 10.009 1.00 0.00 O ATOM 960 CB SER A 66 -12.361 -9.884 7.377 1.00 0.00 C ATOM 961 OG SER A 66 -12.057 -10.417 6.095 1.00 0.00 O ATOM 0 H SER A 66 -10.355 -9.329 6.269 1.00 0.00 H new ATOM 0 HA SER A 66 -12.266 -7.675 7.481 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.086 -10.616 8.137 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.439 -9.737 7.451 1.00 0.00 H new ATOM 0 HG SER A 66 -12.539 -11.261 5.969 1.00 0.00 H new ATOM 967 N LEU A 67 -10.082 -8.568 9.552 1.00 0.00 N ATOM 968 CA LEU A 67 -9.538 -8.648 10.899 1.00 0.00 C ATOM 969 C LEU A 67 -8.345 -7.695 11.077 1.00 0.00 C ATOM 970 O LEU A 67 -7.589 -7.825 12.040 1.00 0.00 O ATOM 971 CB LEU A 67 -9.233 -10.130 11.211 1.00 0.00 C ATOM 972 CG LEU A 67 -8.300 -10.847 10.206 1.00 0.00 C ATOM 973 CD1 LEU A 67 -6.856 -10.886 10.690 1.00 0.00 C ATOM 974 CD2 LEU A 67 -8.752 -12.285 9.938 1.00 0.00 C ATOM 0 H LEU A 67 -9.342 -8.580 8.850 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.264 -8.304 11.635 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.783 -10.189 12.202 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.176 -10.675 11.256 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.358 -10.265 9.286 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.239 -11.399 9.952 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.490 -9.868 10.825 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.805 -11.419 11.639 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.071 -12.754 9.228 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.747 -12.848 10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.760 -12.278 9.524 1.00 0.00 H new ATOM 986 N LYS A 68 -8.170 -6.743 10.149 1.00 0.00 N ATOM 987 CA LYS A 68 -7.092 -5.762 10.095 1.00 0.00 C ATOM 988 C LYS A 68 -7.566 -4.302 10.148 1.00 0.00 C ATOM 989 O LYS A 68 -6.705 -3.419 10.248 1.00 0.00 O ATOM 990 CB LYS A 68 -6.296 -6.023 8.803 1.00 0.00 C ATOM 991 CG LYS A 68 -4.936 -6.700 9.011 1.00 0.00 C ATOM 992 CD LYS A 68 -4.958 -7.993 9.823 1.00 0.00 C ATOM 993 CE LYS A 68 -3.541 -8.537 10.013 1.00 0.00 C ATOM 994 NZ LYS A 68 -3.501 -9.631 11.008 1.00 0.00 N ATOM 0 H LYS A 68 -8.821 -6.636 9.371 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.476 -5.888 10.986 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.898 -6.645 8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.139 -5.073 8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.504 -6.914 8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.271 -5.993 9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.416 -7.810 10.795 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.573 -8.736 9.316 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.160 -8.900 9.058 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.882 -7.730 10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.524 -9.973 11.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.841 -9.278 11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.110 -10.412 10.690 1.00 0.00 H new ATOM 1008 N PHE A 69 -8.868 -4.027 10.040 1.00 0.00 N ATOM 1009 CA PHE A 69 -9.439 -2.676 10.078 1.00 0.00 C ATOM 1010 C PHE A 69 -10.654 -2.698 11.003 1.00 0.00 C ATOM 1011 O PHE A 69 -11.419 -3.661 10.937 1.00 0.00 O ATOM 1012 CB PHE A 69 -9.894 -2.236 8.672 1.00 0.00 C ATOM 1013 CG PHE A 69 -8.849 -2.264 7.578 1.00 0.00 C ATOM 1014 CD1 PHE A 69 -8.364 -3.487 7.081 1.00 0.00 C ATOM 1015 CD2 PHE A 69 -8.409 -1.063 6.999 1.00 0.00 C ATOM 1016 CE1 PHE A 69 -7.409 -3.518 6.058 1.00 0.00 C ATOM 1017 CE2 PHE A 69 -7.490 -1.097 5.942 1.00 0.00 C ATOM 1018 CZ PHE A 69 -6.984 -2.318 5.479 1.00 0.00 C ATOM 0 H PHE A 69 -9.573 -4.755 9.921 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.684 -1.976 10.436 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.722 -2.875 8.367 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.284 -1.221 8.743 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.733 -4.414 7.494 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.777 -0.117 7.367 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.004 -4.460 5.719 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.169 -0.175 5.481 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.265 -2.333 4.674 1.00 0.00 H new ATOM 1028 N LYS A 70 -10.886 -1.656 11.814 1.00 0.00 N ATOM 1029 CA LYS A 70 -12.125 -1.511 12.582 1.00 0.00 C ATOM 1030 C LYS A 70 -13.250 -1.042 11.672 1.00 0.00 C ATOM 1031 O LYS A 70 -14.326 -1.638 11.689 1.00 0.00 O ATOM 1032 CB LYS A 70 -11.874 -0.577 13.783 1.00 0.00 C ATOM 1033 CG LYS A 70 -13.113 -0.048 14.529 1.00 0.00 C ATOM 1034 CD LYS A 70 -13.264 1.476 14.355 1.00 0.00 C ATOM 1035 CE LYS A 70 -14.714 1.937 14.510 1.00 0.00 C ATOM 1036 NZ LYS A 70 -15.189 1.955 15.908 1.00 0.00 N ATOM 0 H LYS A 70 -10.222 -0.895 11.954 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.442 -2.472 12.987 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.248 -1.108 14.500 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.299 0.280 13.431 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.006 -0.549 14.156 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.032 -0.289 15.589 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.642 1.987 15.090 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.896 1.765 13.370 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.814 2.938 14.090 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.358 1.280 13.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.178 2.277 15.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.126 0.997 16.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.598 2.603 16.467 1.00 0.00 H new ATOM 1050 N ASP A 71 -13.014 0.005 10.886 1.00 0.00 N ATOM 1051 CA ASP A 71 -14.053 0.733 10.157 1.00 0.00 C ATOM 1052 C ASP A 71 -13.763 0.724 8.659 1.00 0.00 C ATOM 1053 O ASP A 71 -13.404 1.750 8.091 1.00 0.00 O ATOM 1054 CB ASP A 71 -14.169 2.135 10.763 1.00 0.00 C ATOM 1055 CG ASP A 71 -15.042 3.105 9.974 1.00 0.00 C ATOM 1056 OD1 ASP A 71 -16.000 2.671 9.298 1.00 0.00 O ATOM 1057 OD2 ASP A 71 -14.754 4.317 10.095 1.00 0.00 O ATOM 0 H ASP A 71 -12.078 0.380 10.734 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.024 0.248 10.261 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.570 2.047 11.773 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.169 2.560 10.853 1.00 0.00 H new ATOM 1062 N PRO A 72 -13.872 -0.434 7.985 1.00 0.00 N ATOM 1063 CA PRO A 72 -13.634 -0.504 6.550 1.00 0.00 C ATOM 1064 C PRO A 72 -14.680 0.320 5.790 1.00 0.00 C ATOM 1065 O PRO A 72 -14.358 0.983 4.801 1.00 0.00 O ATOM 1066 CB PRO A 72 -13.698 -1.996 6.217 1.00 0.00 C ATOM 1067 CG PRO A 72 -14.597 -2.593 7.289 1.00 0.00 C ATOM 1068 CD PRO A 72 -14.288 -1.729 8.512 1.00 0.00 C ATOM 0 HA PRO A 72 -12.673 -0.082 6.255 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.106 -2.162 5.220 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.707 -2.449 6.235 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.649 -2.538 7.011 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.369 -3.644 7.468 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.165 -1.628 9.152 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.501 -2.176 9.119 1.00 0.00 H new ATOM 1076 N GLU A 73 -15.926 0.292 6.265 1.00 0.00 N ATOM 1077 CA GLU A 73 -17.087 0.868 5.609 1.00 0.00 C ATOM 1078 C GLU A 73 -17.083 2.402 5.560 1.00 0.00 C ATOM 1079 O GLU A 73 -17.887 2.954 4.813 1.00 0.00 O ATOM 1080 CB GLU A 73 -18.368 0.339 6.268 1.00 0.00 C ATOM 1081 CG GLU A 73 -18.501 0.724 7.750 1.00 0.00 C ATOM 1082 CD GLU A 73 -19.944 1.093 8.079 1.00 0.00 C ATOM 1083 OE1 GLU A 73 -20.725 0.163 8.399 1.00 0.00 O ATOM 1084 OE2 GLU A 73 -20.290 2.286 7.920 1.00 0.00 O ATOM 0 H GLU A 73 -16.157 -0.152 7.154 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.047 0.551 4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -19.231 0.721 5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.390 -0.747 6.180 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -18.180 -0.107 8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.844 1.565 7.974 1.00 0.00 H new ATOM 1091 N ASN A 74 -16.183 3.101 6.266 1.00 0.00 N ATOM 1092 CA ASN A 74 -15.979 4.549 6.106 1.00 0.00 C ATOM 1093 C ASN A 74 -14.506 4.899 5.872 1.00 0.00 C ATOM 1094 O ASN A 74 -14.204 6.077 5.662 1.00 0.00 O ATOM 1095 CB ASN A 74 -16.517 5.367 7.293 1.00 0.00 C ATOM 1096 CG ASN A 74 -17.976 5.110 7.612 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -18.862 5.794 7.109 1.00 0.00 O ATOM 1098 ND2 ASN A 74 -18.255 4.164 8.490 1.00 0.00 N ATOM 0 H ASN A 74 -15.574 2.678 6.966 1.00 0.00 H new ATOM 0 HA ASN A 74 -16.554 4.822 5.221 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.918 5.143 8.176 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -16.384 6.428 7.079 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -19.222 3.990 8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -17.503 3.607 8.896 1.00 0.00 H new ATOM 1105 N THR A 75 -13.584 3.936 5.922 1.00 0.00 N ATOM 1106 CA THR A 75 -12.168 4.154 5.652 1.00 0.00 C ATOM 1107 C THR A 75 -11.958 4.461 4.160 1.00 0.00 C ATOM 1108 O THR A 75 -12.627 3.889 3.293 1.00 0.00 O ATOM 1109 CB THR A 75 -11.402 2.900 6.124 1.00 0.00 C ATOM 1110 OG1 THR A 75 -11.188 2.958 7.512 1.00 0.00 O ATOM 1111 CG2 THR A 75 -10.021 2.736 5.502 1.00 0.00 C ATOM 0 H THR A 75 -13.807 2.968 6.155 1.00 0.00 H new ATOM 0 HA THR A 75 -11.785 5.018 6.195 1.00 0.00 H new ATOM 0 HB THR A 75 -12.032 2.065 5.818 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.926 2.510 7.976 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.553 1.831 5.888 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.116 2.661 4.419 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.404 3.599 5.753 1.00 0.00 H new ATOM 1119 N THR A 76 -10.961 5.293 3.845 1.00 0.00 N ATOM 1120 CA THR A 76 -10.359 5.371 2.520 1.00 0.00 C ATOM 1121 C THR A 76 -9.084 4.538 2.564 1.00 0.00 C ATOM 1122 O THR A 76 -8.111 4.914 3.224 1.00 0.00 O ATOM 1123 CB THR A 76 -10.096 6.824 2.094 1.00 0.00 C ATOM 1124 OG1 THR A 76 -11.275 7.598 2.201 1.00 0.00 O ATOM 1125 CG2 THR A 76 -9.643 6.852 0.632 1.00 0.00 C ATOM 0 H THR A 76 -10.547 5.939 4.517 1.00 0.00 H new ATOM 0 HA THR A 76 -11.039 4.976 1.765 1.00 0.00 H new ATOM 0 HB THR A 76 -9.327 7.236 2.747 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.087 8.520 1.927 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.456 7.882 0.329 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.728 6.270 0.523 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.422 6.424 0.001 1.00 0.00 H new ATOM 1133 N LEU A 77 -9.099 3.359 1.941 1.00 0.00 N ATOM 1134 CA LEU A 77 -7.894 2.560 1.835 1.00 0.00 C ATOM 1135 C LEU A 77 -7.038 3.095 0.693 1.00 0.00 C ATOM 1136 O LEU A 77 -7.548 3.445 -0.365 1.00 0.00 O ATOM 1137 CB LEU A 77 -8.237 1.083 1.583 1.00 0.00 C ATOM 1138 CG LEU A 77 -7.619 0.105 2.577 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -7.854 -1.331 2.090 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -6.126 0.337 2.805 1.00 0.00 C ATOM 0 H LEU A 77 -9.926 2.946 1.509 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.344 2.626 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.321 0.967 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.909 0.815 0.579 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.109 0.272 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.413 -2.032 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.925 -1.518 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.391 -1.464 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.750 -0.392 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.592 0.226 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.969 1.343 3.194 1.00 0.00 H new ATOM 1152 N TYR A 78 -5.729 3.062 0.871 1.00 0.00 N ATOM 1153 CA TYR A 78 -4.756 3.449 -0.131 1.00 0.00 C ATOM 1154 C TYR A 78 -3.898 2.217 -0.387 1.00 0.00 C ATOM 1155 O TYR A 78 -3.135 1.803 0.488 1.00 0.00 O ATOM 1156 CB TYR A 78 -3.968 4.658 0.388 1.00 0.00 C ATOM 1157 CG TYR A 78 -4.708 5.987 0.351 1.00 0.00 C ATOM 1158 CD1 TYR A 78 -5.592 6.368 1.381 1.00 0.00 C ATOM 1159 CD2 TYR A 78 -4.511 6.854 -0.739 1.00 0.00 C ATOM 1160 CE1 TYR A 78 -6.291 7.593 1.305 1.00 0.00 C ATOM 1161 CE2 TYR A 78 -5.197 8.076 -0.818 1.00 0.00 C ATOM 1162 CZ TYR A 78 -6.104 8.450 0.195 1.00 0.00 C ATOM 1163 OH TYR A 78 -6.761 9.640 0.084 1.00 0.00 O ATOM 0 H TYR A 78 -5.302 2.755 1.745 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.201 3.764 -1.075 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.666 4.459 1.416 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.055 4.754 -0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.736 5.720 2.233 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.824 6.576 -1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.970 7.876 2.096 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.029 8.733 -1.659 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.497 10.083 -0.749 1.00 0.00 H new ATOM 1173 N ILE A 79 -4.073 1.566 -1.536 1.00 0.00 N ATOM 1174 CA ILE A 79 -3.245 0.430 -1.911 1.00 0.00 C ATOM 1175 C ILE A 79 -1.882 0.961 -2.326 1.00 0.00 C ATOM 1176 O ILE A 79 -1.824 1.961 -3.042 1.00 0.00 O ATOM 1177 CB ILE A 79 -3.902 -0.395 -3.032 1.00 0.00 C ATOM 1178 CG1 ILE A 79 -5.181 -1.058 -2.481 1.00 0.00 C ATOM 1179 CG2 ILE A 79 -2.965 -1.504 -3.538 1.00 0.00 C ATOM 1180 CD1 ILE A 79 -6.428 -0.241 -2.780 1.00 0.00 C ATOM 0 H ILE A 79 -4.786 1.811 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.132 -0.247 -1.064 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.128 0.278 -3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.288 -2.052 -2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.085 -1.189 -1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.461 -2.067 -4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.051 -1.058 -3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.718 -2.175 -2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.302 -0.749 -2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.335 0.745 -2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.542 -0.132 -3.859 1.00 0.00 H new ATOM 1192 N LEU A 80 -0.815 0.282 -1.900 1.00 0.00 N ATOM 1193 CA LEU A 80 0.572 0.545 -2.254 1.00 0.00 C ATOM 1194 C LEU A 80 1.130 -0.747 -2.843 1.00 0.00 C ATOM 1195 O LEU A 80 1.082 -1.776 -2.176 1.00 0.00 O ATOM 1196 CB LEU A 80 1.357 0.983 -1.001 1.00 0.00 C ATOM 1197 CG LEU A 80 2.599 1.865 -1.250 1.00 0.00 C ATOM 1198 CD1 LEU A 80 3.505 1.875 -0.018 1.00 0.00 C ATOM 1199 CD2 LEU A 80 3.446 1.497 -2.460 1.00 0.00 C ATOM 0 H LEU A 80 -0.906 -0.510 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 80 0.657 1.352 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.678 1.525 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.674 0.088 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 80 2.179 2.849 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.376 2.502 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.955 2.272 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.831 0.859 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.290 2.183 -2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.816 0.478 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.840 1.566 -3.363 1.00 0.00 H new ATOM 1211 N ASP A 81 1.614 -0.731 -4.084 1.00 0.00 N ATOM 1212 CA ASP A 81 2.246 -1.886 -4.720 1.00 0.00 C ATOM 1213 C ASP A 81 3.721 -1.602 -5.013 1.00 0.00 C ATOM 1214 O ASP A 81 4.272 -0.603 -4.564 1.00 0.00 O ATOM 1215 CB ASP A 81 1.433 -2.352 -5.936 1.00 0.00 C ATOM 1216 CG ASP A 81 1.965 -1.850 -7.268 1.00 0.00 C ATOM 1217 OD1 ASP A 81 2.800 -2.581 -7.850 1.00 0.00 O ATOM 1218 OD2 ASP A 81 1.514 -0.768 -7.694 1.00 0.00 O ATOM 0 H ASP A 81 1.578 0.094 -4.683 1.00 0.00 H new ATOM 0 HA ASP A 81 2.244 -2.730 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.415 -3.442 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.402 -2.018 -5.820 1.00 0.00 H new ATOM 1223 N LYS A 82 4.425 -2.535 -5.649 1.00 0.00 N ATOM 1224 CA LYS A 82 5.837 -2.389 -5.963 1.00 0.00 C ATOM 1225 C LYS A 82 6.017 -1.316 -7.026 1.00 0.00 C ATOM 1226 O LYS A 82 6.906 -0.498 -6.874 1.00 0.00 O ATOM 1227 CB LYS A 82 6.411 -3.724 -6.484 1.00 0.00 C ATOM 1228 CG LYS A 82 5.962 -4.990 -5.719 1.00 0.00 C ATOM 1229 CD LYS A 82 6.941 -6.172 -5.679 1.00 0.00 C ATOM 1230 CE LYS A 82 7.667 -6.381 -7.010 1.00 0.00 C ATOM 1231 NZ LYS A 82 8.094 -7.779 -7.215 1.00 0.00 N ATOM 0 H LYS A 82 4.025 -3.420 -5.962 1.00 0.00 H new ATOM 0 HA LYS A 82 6.369 -2.102 -5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.129 -3.835 -7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.499 -3.668 -6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.739 -4.702 -4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.029 -5.339 -6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.675 -6.004 -4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.397 -7.080 -5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.011 -6.083 -7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.540 -5.730 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.580 -7.863 -8.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.743 -8.059 -6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.261 -8.401 -7.207 1.00 0.00 H new ATOM 1245 N PHE A 83 5.283 -1.380 -8.130 1.00 0.00 N ATOM 1246 CA PHE A 83 5.635 -0.691 -9.362 1.00 0.00 C ATOM 1247 C PHE A 83 4.425 -0.481 -10.284 1.00 0.00 C ATOM 1248 O PHE A 83 4.400 0.483 -11.049 1.00 0.00 O ATOM 1249 CB PHE A 83 6.668 -1.592 -10.059 1.00 0.00 C ATOM 1250 CG PHE A 83 7.511 -0.941 -11.126 1.00 0.00 C ATOM 1251 CD1 PHE A 83 6.969 -0.701 -12.395 1.00 0.00 C ATOM 1252 CD2 PHE A 83 8.857 -0.635 -10.877 1.00 0.00 C ATOM 1253 CE1 PHE A 83 7.752 -0.148 -13.419 1.00 0.00 C ATOM 1254 CE2 PHE A 83 9.643 -0.063 -11.891 1.00 0.00 C ATOM 1255 CZ PHE A 83 9.088 0.191 -13.159 1.00 0.00 C ATOM 0 H PHE A 83 4.418 -1.917 -8.194 1.00 0.00 H new ATOM 0 HA PHE A 83 6.021 0.304 -9.139 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.334 -2.000 -9.299 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.140 -2.434 -10.506 1.00 0.00 H new ATOM 0 HD1 PHE A 83 5.935 -0.945 -12.588 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.288 -0.839 -9.908 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.330 0.015 -14.399 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.677 0.183 -11.697 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.690 0.647 -13.931 1.00 0.00 H new ATOM 1265 N ASP A 84 3.518 -1.456 -10.333 1.00 0.00 N ATOM 1266 CA ASP A 84 2.382 -1.577 -11.246 1.00 0.00 C ATOM 1267 C ASP A 84 1.388 -2.515 -10.555 1.00 0.00 C ATOM 1268 O ASP A 84 0.262 -2.123 -10.245 1.00 0.00 O ATOM 1269 CB ASP A 84 2.766 -2.271 -12.568 1.00 0.00 C ATOM 1270 CG ASP A 84 3.476 -1.446 -13.630 1.00 0.00 C ATOM 1271 OD1 ASP A 84 2.980 -0.353 -13.999 1.00 0.00 O ATOM 1272 OD2 ASP A 84 4.451 -2.000 -14.188 1.00 0.00 O ATOM 0 H ASP A 84 3.562 -2.243 -9.685 1.00 0.00 H new ATOM 0 HA ASP A 84 1.999 -0.581 -11.468 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.403 -3.122 -12.325 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.854 -2.672 -13.011 1.00 0.00 H new ATOM 1277 N GLY A 85 1.838 -3.759 -10.320 1.00 0.00 N ATOM 1278 CA GLY A 85 1.226 -4.798 -9.511 1.00 0.00 C ATOM 1279 C GLY A 85 -0.200 -5.083 -9.934 1.00 0.00 C ATOM 1280 O GLY A 85 -0.448 -5.985 -10.733 1.00 0.00 O ATOM 0 H GLY A 85 2.715 -4.079 -10.731 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.816 -5.711 -9.588 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.240 -4.497 -8.464 1.00 0.00 H new ATOM 1284 N ASN A 86 -1.126 -4.351 -9.327 1.00 0.00 N ATOM 1285 CA ASN A 86 -2.537 -4.215 -9.678 1.00 0.00 C ATOM 1286 C ASN A 86 -3.159 -3.134 -8.782 1.00 0.00 C ATOM 1287 O ASN A 86 -4.320 -3.250 -8.413 1.00 0.00 O ATOM 1288 CB ASN A 86 -3.248 -5.578 -9.575 1.00 0.00 C ATOM 1289 CG ASN A 86 -3.637 -6.111 -10.947 1.00 0.00 C ATOM 1290 OD1 ASN A 86 -4.214 -5.407 -11.770 1.00 0.00 O ATOM 1291 ND2 ASN A 86 -3.373 -7.376 -11.210 1.00 0.00 N ATOM 0 H ASN A 86 -0.891 -3.790 -8.508 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.653 -3.896 -10.714 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.594 -6.294 -9.078 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.140 -5.478 -8.956 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.649 -7.779 -12.105 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.893 -7.951 -10.518 1.00 0.00 H new ATOM 1298 N SER A 87 -2.384 -2.137 -8.333 1.00 0.00 N ATOM 1299 CA SER A 87 -2.814 -1.135 -7.353 1.00 0.00 C ATOM 1300 C SER A 87 -4.179 -0.542 -7.732 1.00 0.00 C ATOM 1301 O SER A 87 -5.083 -0.504 -6.897 1.00 0.00 O ATOM 1302 CB SER A 87 -1.694 -0.087 -7.163 1.00 0.00 C ATOM 1303 OG SER A 87 -0.871 0.058 -8.314 1.00 0.00 O ATOM 0 H SER A 87 -1.423 -2.004 -8.648 1.00 0.00 H new ATOM 0 HA SER A 87 -2.972 -1.602 -6.381 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.142 0.876 -6.919 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.075 -0.374 -6.313 1.00 0.00 H new ATOM 0 HG SER A 87 -0.067 -0.494 -8.213 1.00 0.00 H new ATOM 1309 N GLU A 88 -4.353 -0.177 -9.003 1.00 0.00 N ATOM 1310 CA GLU A 88 -5.579 0.396 -9.552 1.00 0.00 C ATOM 1311 C GLU A 88 -6.756 -0.582 -9.475 1.00 0.00 C ATOM 1312 O GLU A 88 -7.863 -0.175 -9.124 1.00 0.00 O ATOM 1313 CB GLU A 88 -5.328 0.841 -11.000 1.00 0.00 C ATOM 1314 CG GLU A 88 -4.173 1.849 -11.075 1.00 0.00 C ATOM 1315 CD GLU A 88 -3.952 2.358 -12.494 1.00 0.00 C ATOM 1316 OE1 GLU A 88 -3.547 1.553 -13.360 1.00 0.00 O ATOM 1317 OE2 GLU A 88 -4.145 3.578 -12.723 1.00 0.00 O ATOM 0 H GLU A 88 -3.617 -0.277 -9.702 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.853 1.261 -8.948 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.097 -0.028 -11.616 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.234 1.290 -11.408 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.383 2.691 -10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.259 1.381 -10.711 1.00 0.00 H new ATOM 1324 N LEU A 89 -6.532 -1.866 -9.776 1.00 0.00 N ATOM 1325 CA LEU A 89 -7.550 -2.910 -9.675 1.00 0.00 C ATOM 1326 C LEU A 89 -8.018 -3.011 -8.225 1.00 0.00 C ATOM 1327 O LEU A 89 -9.213 -2.994 -7.935 1.00 0.00 O ATOM 1328 CB LEU A 89 -6.969 -4.256 -10.171 1.00 0.00 C ATOM 1329 CG LEU A 89 -7.969 -5.371 -10.506 1.00 0.00 C ATOM 1330 CD1 LEU A 89 -8.660 -5.943 -9.269 1.00 0.00 C ATOM 1331 CD2 LEU A 89 -8.987 -4.944 -11.567 1.00 0.00 C ATOM 0 H LEU A 89 -5.628 -2.210 -10.100 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.407 -2.662 -10.302 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.372 -4.059 -11.062 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.288 -4.632 -9.408 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.374 -6.178 -10.934 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.355 -6.727 -9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.912 -6.360 -8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.207 -5.150 -8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.671 -5.769 -11.768 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.551 -4.084 -11.205 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.465 -4.674 -12.485 1.00 0.00 H new ATOM 1343 N VAL A 90 -7.075 -3.125 -7.291 1.00 0.00 N ATOM 1344 CA VAL A 90 -7.413 -3.336 -5.893 1.00 0.00 C ATOM 1345 C VAL A 90 -8.140 -2.101 -5.320 1.00 0.00 C ATOM 1346 O VAL A 90 -8.950 -2.255 -4.401 1.00 0.00 O ATOM 1347 CB VAL A 90 -6.162 -3.764 -5.104 1.00 0.00 C ATOM 1348 CG1 VAL A 90 -6.502 -4.246 -3.686 1.00 0.00 C ATOM 1349 CG2 VAL A 90 -5.458 -4.965 -5.744 1.00 0.00 C ATOM 0 H VAL A 90 -6.074 -3.074 -7.481 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.121 -4.159 -5.797 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.536 -2.871 -5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.586 -4.536 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.989 -3.441 -3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.173 -5.103 -3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.582 -5.231 -5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.143 -5.812 -5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.148 -4.708 -6.757 1.00 0.00 H new ATOM 1359 N ALA A 91 -7.912 -0.903 -5.876 1.00 0.00 N ATOM 1360 CA ALA A 91 -8.564 0.336 -5.459 1.00 0.00 C ATOM 1361 C ALA A 91 -10.051 0.373 -5.795 1.00 0.00 C ATOM 1362 O ALA A 91 -10.806 1.053 -5.100 1.00 0.00 O ATOM 1363 CB ALA A 91 -7.861 1.527 -6.097 1.00 0.00 C ATOM 0 H ALA A 91 -7.254 -0.771 -6.644 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.485 0.385 -4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.350 2.449 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.818 1.545 -5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.911 1.441 -7.182 1.00 0.00 H new ATOM 1369 N GLU A 92 -10.504 -0.361 -6.807 1.00 0.00 N ATOM 1370 CA GLU A 92 -11.932 -0.605 -6.968 1.00 0.00 C ATOM 1371 C GLU A 92 -12.364 -1.797 -6.134 1.00 0.00 C ATOM 1372 O GLU A 92 -13.392 -1.751 -5.466 1.00 0.00 O ATOM 1373 CB GLU A 92 -12.337 -0.624 -8.449 1.00 0.00 C ATOM 1374 CG GLU A 92 -11.568 -1.586 -9.358 1.00 0.00 C ATOM 1375 CD GLU A 92 -11.980 -1.389 -10.813 1.00 0.00 C ATOM 1376 OE1 GLU A 92 -11.468 -0.447 -11.462 1.00 0.00 O ATOM 1377 OE2 GLU A 92 -12.839 -2.143 -11.317 1.00 0.00 O ATOM 0 H GLU A 92 -9.912 -0.791 -7.518 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.504 0.231 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.397 -0.872 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.223 0.385 -8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.496 -1.418 -9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.761 -2.615 -9.055 1.00 0.00 H new ATOM 1384 N LEU A 93 -11.535 -2.826 -6.069 1.00 0.00 N ATOM 1385 CA LEU A 93 -11.914 -4.095 -5.492 1.00 0.00 C ATOM 1386 C LEU A 93 -12.402 -3.998 -4.047 1.00 0.00 C ATOM 1387 O LEU A 93 -13.477 -4.518 -3.739 1.00 0.00 O ATOM 1388 CB LEU A 93 -10.712 -5.021 -5.618 1.00 0.00 C ATOM 1389 CG LEU A 93 -10.955 -6.469 -5.181 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -12.076 -7.138 -5.975 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -9.644 -7.243 -5.360 1.00 0.00 C ATOM 0 H LEU A 93 -10.577 -2.799 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 93 -12.774 -4.487 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.382 -5.022 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.894 -4.612 -5.025 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.272 -6.472 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.208 -8.162 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.004 -6.584 -5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -11.817 -7.146 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.789 -8.280 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.343 -7.211 -6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.867 -6.789 -4.745 1.00 0.00 H new ATOM 1403 N VAL A 94 -11.634 -3.381 -3.141 1.00 0.00 N ATOM 1404 CA VAL A 94 -12.057 -3.297 -1.737 1.00 0.00 C ATOM 1405 C VAL A 94 -13.317 -2.446 -1.586 1.00 0.00 C ATOM 1406 O VAL A 94 -14.216 -2.813 -0.825 1.00 0.00 O ATOM 1407 CB VAL A 94 -10.939 -2.805 -0.801 1.00 0.00 C ATOM 1408 CG1 VAL A 94 -9.868 -3.891 -0.657 1.00 0.00 C ATOM 1409 CG2 VAL A 94 -10.277 -1.486 -1.213 1.00 0.00 C ATOM 0 H VAL A 94 -10.737 -2.942 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.293 -4.315 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.430 -2.601 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.079 -3.538 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.317 -4.792 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.445 -4.117 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.504 -1.226 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.829 -1.597 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.027 -0.696 -1.242 1.00 0.00 H new ATOM 1419 N ALA A 95 -13.388 -1.337 -2.324 1.00 0.00 N ATOM 1420 CA ALA A 95 -14.502 -0.405 -2.303 1.00 0.00 C ATOM 1421 C ALA A 95 -15.801 -1.069 -2.771 1.00 0.00 C ATOM 1422 O ALA A 95 -16.881 -0.655 -2.367 1.00 0.00 O ATOM 1423 CB ALA A 95 -14.156 0.784 -3.202 1.00 0.00 C ATOM 0 H ALA A 95 -12.648 -1.060 -2.969 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.666 -0.069 -1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.982 1.495 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.255 1.272 -2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.984 0.433 -4.219 1.00 0.00 H new ATOM 1429 N LEU A 96 -15.717 -2.126 -3.576 1.00 0.00 N ATOM 1430 CA LEU A 96 -16.821 -2.929 -4.066 1.00 0.00 C ATOM 1431 C LEU A 96 -17.087 -4.154 -3.177 1.00 0.00 C ATOM 1432 O LEU A 96 -18.051 -4.883 -3.423 1.00 0.00 O ATOM 1433 CB LEU A 96 -16.434 -3.332 -5.497 1.00 0.00 C ATOM 1434 CG LEU A 96 -16.755 -2.247 -6.544 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -16.489 -0.775 -6.186 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -16.027 -2.580 -7.850 1.00 0.00 C ATOM 0 H LEU A 96 -14.817 -2.460 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.755 -2.367 -4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.367 -3.553 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.958 -4.250 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.841 -2.292 -6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.767 -0.140 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.081 -0.500 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.430 -0.640 -5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.250 -1.817 -8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.952 -2.609 -7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -16.360 -3.551 -8.215 1.00 0.00 H new ATOM 1448 N ASN A 97 -16.267 -4.404 -2.149 1.00 0.00 N ATOM 1449 CA ASN A 97 -16.306 -5.596 -1.290 1.00 0.00 C ATOM 1450 C ASN A 97 -16.629 -5.254 0.169 1.00 0.00 C ATOM 1451 O ASN A 97 -16.452 -6.097 1.051 1.00 0.00 O ATOM 1452 CB ASN A 97 -14.999 -6.402 -1.420 1.00 0.00 C ATOM 1453 CG ASN A 97 -15.108 -7.435 -2.528 1.00 0.00 C ATOM 1454 OD1 ASN A 97 -15.479 -8.581 -2.289 1.00 0.00 O ATOM 1455 ND2 ASN A 97 -14.768 -7.070 -3.749 1.00 0.00 N ATOM 0 H ASN A 97 -15.527 -3.755 -1.881 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.124 -6.226 -1.639 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.169 -5.726 -1.628 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.777 -6.898 -0.475 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.811 -7.744 -4.513 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.462 -6.114 -3.929 1.00 0.00 H new ATOM 1462 N GLY A 98 -17.096 -4.037 0.449 1.00 0.00 N ATOM 1463 CA GLY A 98 -17.617 -3.637 1.750 1.00 0.00 C ATOM 1464 C GLY A 98 -16.944 -2.402 2.324 1.00 0.00 C ATOM 1465 O GLY A 98 -17.488 -1.799 3.253 1.00 0.00 O ATOM 0 H GLY A 98 -17.122 -3.286 -0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.687 -3.449 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.496 -4.464 2.450 1.00 0.00 H new ATOM 1469 N PHE A 99 -15.793 -1.992 1.790 1.00 0.00 N ATOM 1470 CA PHE A 99 -15.209 -0.717 2.174 1.00 0.00 C ATOM 1471 C PHE A 99 -15.972 0.430 1.486 1.00 0.00 C ATOM 1472 O PHE A 99 -16.790 0.192 0.594 1.00 0.00 O ATOM 1473 CB PHE A 99 -13.716 -0.676 1.832 1.00 0.00 C ATOM 1474 CG PHE A 99 -12.780 -1.503 2.705 1.00 0.00 C ATOM 1475 CD1 PHE A 99 -12.864 -2.910 2.746 1.00 0.00 C ATOM 1476 CD2 PHE A 99 -11.805 -0.851 3.489 1.00 0.00 C ATOM 1477 CE1 PHE A 99 -12.018 -3.648 3.595 1.00 0.00 C ATOM 1478 CE2 PHE A 99 -10.941 -1.590 4.314 1.00 0.00 C ATOM 1479 CZ PHE A 99 -11.056 -2.989 4.382 1.00 0.00 C ATOM 0 H PHE A 99 -15.257 -2.519 1.101 1.00 0.00 H new ATOM 0 HA PHE A 99 -15.298 -0.595 3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -13.596 -1.007 0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -13.388 0.363 1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.581 -3.424 2.123 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -11.722 0.225 3.455 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -12.108 -4.723 3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.187 -1.082 4.897 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.409 -3.555 5.035 1.00 0.00 H new ATOM 1489 N LYS A 100 -15.676 1.675 1.881 1.00 0.00 N ATOM 1490 CA LYS A 100 -16.207 2.878 1.242 1.00 0.00 C ATOM 1491 C LYS A 100 -15.570 3.084 -0.142 1.00 0.00 C ATOM 1492 O LYS A 100 -16.152 2.641 -1.130 1.00 0.00 O ATOM 1493 CB LYS A 100 -16.077 4.082 2.174 1.00 0.00 C ATOM 1494 CG LYS A 100 -17.045 5.201 1.763 1.00 0.00 C ATOM 1495 CD LYS A 100 -18.436 5.058 2.403 1.00 0.00 C ATOM 1496 CE LYS A 100 -19.260 3.810 2.057 1.00 0.00 C ATOM 1497 NZ LYS A 100 -20.569 3.800 2.742 1.00 0.00 N ATOM 0 H LYS A 100 -15.053 1.874 2.664 1.00 0.00 H new ATOM 0 HA LYS A 100 -17.275 2.755 1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.283 3.777 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.053 4.455 2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.619 6.164 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -17.149 5.204 0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.311 5.087 3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -19.023 5.934 2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.415 3.766 0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.699 2.918 2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -21.092 2.940 2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.422 3.815 3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -21.116 4.638 2.458 1.00 0.00 H new ATOM 1511 N SER A 101 -14.385 3.690 -0.234 1.00 0.00 N ATOM 1512 CA SER A 101 -13.661 3.981 -1.474 1.00 0.00 C ATOM 1513 C SER A 101 -12.178 3.688 -1.278 1.00 0.00 C ATOM 1514 O SER A 101 -11.709 3.647 -0.135 1.00 0.00 O ATOM 1515 CB SER A 101 -13.828 5.457 -1.829 1.00 0.00 C ATOM 1516 OG SER A 101 -15.204 5.796 -1.884 1.00 0.00 O ATOM 0 H SER A 101 -13.879 4.007 0.593 1.00 0.00 H new ATOM 0 HA SER A 101 -14.060 3.359 -2.276 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.323 6.076 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.357 5.663 -2.790 1.00 0.00 H new ATOM 0 HG SER A 101 -15.298 6.745 -2.111 1.00 0.00 H new ATOM 1522 N ALA A 102 -11.421 3.479 -2.357 1.00 0.00 N ATOM 1523 CA ALA A 102 -9.986 3.251 -2.264 1.00 0.00 C ATOM 1524 C ALA A 102 -9.211 3.878 -3.422 1.00 0.00 C ATOM 1525 O ALA A 102 -9.784 4.441 -4.356 1.00 0.00 O ATOM 1526 CB ALA A 102 -9.691 1.753 -2.097 1.00 0.00 C ATOM 0 H ALA A 102 -11.785 3.464 -3.310 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.627 3.763 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.614 1.600 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.168 1.387 -1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.082 1.207 -2.956 1.00 0.00 H new ATOM 1532 N TYR A 103 -7.888 3.814 -3.292 1.00 0.00 N ATOM 1533 CA TYR A 103 -6.896 4.607 -4.002 1.00 0.00 C ATOM 1534 C TYR A 103 -5.668 3.758 -4.348 1.00 0.00 C ATOM 1535 O TYR A 103 -5.476 2.691 -3.763 1.00 0.00 O ATOM 1536 CB TYR A 103 -6.515 5.761 -3.074 1.00 0.00 C ATOM 1537 CG TYR A 103 -7.325 7.015 -3.292 1.00 0.00 C ATOM 1538 CD1 TYR A 103 -8.587 7.178 -2.697 1.00 0.00 C ATOM 1539 CD2 TYR A 103 -6.802 8.024 -4.112 1.00 0.00 C ATOM 1540 CE1 TYR A 103 -9.328 8.348 -2.927 1.00 0.00 C ATOM 1541 CE2 TYR A 103 -7.529 9.197 -4.350 1.00 0.00 C ATOM 1542 CZ TYR A 103 -8.802 9.365 -3.756 1.00 0.00 C ATOM 1543 OH TYR A 103 -9.516 10.500 -3.992 1.00 0.00 O ATOM 0 H TYR A 103 -7.454 3.160 -2.641 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.296 4.980 -4.945 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -6.636 5.438 -2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.459 5.993 -3.214 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -8.988 6.402 -2.062 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.830 7.896 -4.564 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.299 8.471 -2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.120 9.970 -4.984 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.004 11.092 -4.582 1.00 0.00 H new ATOM 1553 N ALA A 104 -4.864 4.212 -5.317 1.00 0.00 N ATOM 1554 CA ALA A 104 -3.795 3.453 -5.964 1.00 0.00 C ATOM 1555 C ALA A 104 -2.606 4.356 -6.308 1.00 0.00 C ATOM 1556 O ALA A 104 -2.674 5.168 -7.232 1.00 0.00 O ATOM 1557 CB ALA A 104 -4.350 2.825 -7.245 1.00 0.00 C ATOM 0 H ALA A 104 -4.947 5.160 -5.685 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.444 2.681 -5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.564 2.255 -7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.178 2.161 -6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.703 3.611 -7.912 1.00 0.00 H new ATOM 1563 N ILE A 105 -1.502 4.236 -5.576 1.00 0.00 N ATOM 1564 CA ILE A 105 -0.308 5.050 -5.833 1.00 0.00 C ATOM 1565 C ILE A 105 0.304 4.608 -7.164 1.00 0.00 C ATOM 1566 O ILE A 105 0.464 3.412 -7.416 1.00 0.00 O ATOM 1567 CB ILE A 105 0.684 5.034 -4.642 1.00 0.00 C ATOM 1568 CG1 ILE A 105 2.143 5.290 -5.055 1.00 0.00 C ATOM 1569 CG2 ILE A 105 0.622 3.740 -3.843 1.00 0.00 C ATOM 1570 CD1 ILE A 105 3.090 5.527 -3.876 1.00 0.00 C ATOM 0 H ILE A 105 -1.405 3.583 -4.798 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.586 6.100 -5.924 1.00 0.00 H new ATOM 0 HB ILE A 105 0.355 5.861 -4.013 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.502 4.437 -5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.177 6.157 -5.715 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.338 3.785 -3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.383 3.608 -3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.867 2.899 -4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.099 5.700 -4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.758 6.398 -3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.088 4.652 -3.226 1.00 0.00 H new ATOM 1582 N LYS A 106 0.603 5.561 -8.048 1.00 0.00 N ATOM 1583 CA LYS A 106 1.347 5.310 -9.274 1.00 0.00 C ATOM 1584 C LYS A 106 2.774 4.938 -8.891 1.00 0.00 C ATOM 1585 O LYS A 106 3.276 5.448 -7.893 1.00 0.00 O ATOM 1586 CB LYS A 106 1.374 6.573 -10.141 1.00 0.00 C ATOM 1587 CG LYS A 106 1.622 6.244 -11.621 1.00 0.00 C ATOM 1588 CD LYS A 106 0.435 5.526 -12.288 1.00 0.00 C ATOM 1589 CE LYS A 106 0.593 4.011 -12.505 1.00 0.00 C ATOM 1590 NZ LYS A 106 1.580 3.684 -13.554 1.00 0.00 N ATOM 0 H LYS A 106 0.331 6.537 -7.928 1.00 0.00 H new ATOM 0 HA LYS A 106 0.874 4.506 -9.838 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.427 7.103 -10.040 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.155 7.244 -9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.831 7.167 -12.162 1.00 0.00 H new ATOM 0 HG3 LYS A 106 2.510 5.618 -11.704 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.453 5.694 -11.679 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.251 5.993 -13.255 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.897 3.544 -11.568 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -0.373 3.584 -12.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.646 2.651 -13.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.280 4.105 -14.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.510 4.065 -13.287 1.00 0.00 H new ATOM 1604 N ASP A 107 3.432 4.097 -9.691 1.00 0.00 N ATOM 1605 CA ASP A 107 4.833 3.702 -9.513 1.00 0.00 C ATOM 1606 C ASP A 107 5.047 2.903 -8.219 1.00 0.00 C ATOM 1607 O ASP A 107 6.177 2.531 -7.912 1.00 0.00 O ATOM 1608 CB ASP A 107 5.786 4.921 -9.544 1.00 0.00 C ATOM 1609 CG ASP A 107 5.608 5.904 -10.694 1.00 0.00 C ATOM 1610 OD1 ASP A 107 6.009 5.535 -11.815 1.00 0.00 O ATOM 1611 OD2 ASP A 107 5.129 7.037 -10.454 1.00 0.00 O ATOM 0 H ASP A 107 2.995 3.660 -10.502 1.00 0.00 H new ATOM 0 HA ASP A 107 5.074 3.056 -10.357 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.668 5.468 -8.609 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.811 4.550 -9.570 1.00 0.00 H new ATOM 1616 N GLY A 108 3.991 2.613 -7.450 1.00 0.00 N ATOM 1617 CA GLY A 108 4.052 1.985 -6.143 1.00 0.00 C ATOM 1618 C GLY A 108 5.208 2.522 -5.299 1.00 0.00 C ATOM 1619 O GLY A 108 5.244 3.716 -5.002 1.00 0.00 O ATOM 0 H GLY A 108 3.036 2.822 -7.741 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.112 2.152 -5.617 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.162 0.907 -6.264 1.00 0.00 H new ATOM 1623 N ALA A 109 6.158 1.671 -4.904 1.00 0.00 N ATOM 1624 CA ALA A 109 7.257 2.026 -4.018 1.00 0.00 C ATOM 1625 C ALA A 109 8.639 1.875 -4.652 1.00 0.00 C ATOM 1626 O ALA A 109 9.592 2.442 -4.125 1.00 0.00 O ATOM 1627 CB ALA A 109 7.161 1.204 -2.734 1.00 0.00 C ATOM 0 H ALA A 109 6.180 0.695 -5.201 1.00 0.00 H new ATOM 0 HA ALA A 109 7.153 3.088 -3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.984 1.469 -2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.213 1.413 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.218 0.143 -2.976 1.00 0.00 H new ATOM 1633 N GLU A 110 8.754 1.146 -5.756 1.00 0.00 N ATOM 1634 CA GLU A 110 9.983 0.804 -6.463 1.00 0.00 C ATOM 1635 C GLU A 110 9.966 1.290 -7.920 1.00 0.00 C ATOM 1636 O GLU A 110 10.920 1.059 -8.669 1.00 0.00 O ATOM 1637 CB GLU A 110 10.260 -0.710 -6.356 1.00 0.00 C ATOM 1638 CG GLU A 110 11.343 -1.005 -5.313 1.00 0.00 C ATOM 1639 CD GLU A 110 12.756 -0.698 -5.802 1.00 0.00 C ATOM 1640 OE1 GLU A 110 13.194 0.468 -5.681 1.00 0.00 O ATOM 1641 OE2 GLU A 110 13.421 -1.662 -6.240 1.00 0.00 O ATOM 0 H GLU A 110 7.933 0.750 -6.213 1.00 0.00 H new ATOM 0 HA GLU A 110 10.807 1.330 -5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.342 -1.232 -6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 110 10.573 -1.094 -7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 110 11.142 -0.420 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 110 11.286 -2.055 -5.028 1.00 0.00 H new ATOM 1648 N GLY A 111 8.887 1.953 -8.339 1.00 0.00 N ATOM 1649 CA GLY A 111 8.767 2.575 -9.643 1.00 0.00 C ATOM 1650 C GLY A 111 9.505 3.910 -9.708 1.00 0.00 C ATOM 1651 O GLY A 111 9.954 4.436 -8.684 1.00 0.00 O ATOM 0 H GLY A 111 8.055 2.071 -7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.165 1.903 -10.404 1.00 0.00 H new ATOM 0 HA3 GLY A 111 7.713 2.731 -9.875 1.00 0.00 H new ATOM 1655 N PRO A 112 9.622 4.488 -10.914 1.00 0.00 N ATOM 1656 CA PRO A 112 10.552 5.573 -11.203 1.00 0.00 C ATOM 1657 C PRO A 112 10.334 6.834 -10.384 1.00 0.00 C ATOM 1658 O PRO A 112 11.287 7.580 -10.149 1.00 0.00 O ATOM 1659 CB PRO A 112 10.443 5.851 -12.704 1.00 0.00 C ATOM 1660 CG PRO A 112 9.201 5.079 -13.155 1.00 0.00 C ATOM 1661 CD PRO A 112 9.099 3.942 -12.153 1.00 0.00 C ATOM 0 HA PRO A 112 11.555 5.258 -10.916 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.339 6.918 -12.902 1.00 0.00 H new ATOM 0 HB3 PRO A 112 11.333 5.513 -13.235 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.311 5.708 -13.139 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.309 4.706 -14.174 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.067 3.611 -12.034 1.00 0.00 H new ATOM 0 HD3 PRO A 112 9.676 3.076 -12.478 1.00 0.00 H new ATOM 1669 N ARG A 113 9.110 7.074 -9.928 1.00 0.00 N ATOM 1670 CA ARG A 113 8.769 8.183 -9.049 1.00 0.00 C ATOM 1671 C ARG A 113 7.895 7.685 -7.898 1.00 0.00 C ATOM 1672 O ARG A 113 7.093 8.451 -7.363 1.00 0.00 O ATOM 1673 CB ARG A 113 8.150 9.303 -9.901 1.00 0.00 C ATOM 1674 CG ARG A 113 9.210 9.948 -10.814 1.00 0.00 C ATOM 1675 CD ARG A 113 8.866 11.381 -11.221 1.00 0.00 C ATOM 1676 NE ARG A 113 7.693 11.460 -12.106 1.00 0.00 N ATOM 1677 CZ ARG A 113 7.056 12.589 -12.431 1.00 0.00 C ATOM 1678 NH1 ARG A 113 7.433 13.757 -11.916 1.00 0.00 N ATOM 1679 NH2 ARG A 113 6.038 12.570 -13.279 1.00 0.00 N ATOM 0 H ARG A 113 8.309 6.488 -10.166 1.00 0.00 H new ATOM 0 HA ARG A 113 9.649 8.610 -8.567 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.339 8.899 -10.507 1.00 0.00 H new ATOM 0 HB3 ARG A 113 7.714 10.061 -9.251 1.00 0.00 H new ATOM 0 HG2 ARG A 113 10.172 9.944 -10.301 1.00 0.00 H new ATOM 0 HG3 ARG A 113 9.325 9.340 -11.712 1.00 0.00 H new ATOM 0 HD2 ARG A 113 8.679 11.973 -10.325 1.00 0.00 H new ATOM 0 HD3 ARG A 113 9.725 11.826 -11.724 1.00 0.00 H new ATOM 0 HE ARG A 113 7.340 10.588 -12.501 1.00 0.00 H new ATOM 0 HH11 ARG A 113 8.217 13.798 -11.265 1.00 0.00 H new ATOM 0 HH12 ARG A 113 6.938 14.611 -12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 113 5.734 11.688 -13.691 1.00 0.00 H new ATOM 0 HH22 ARG A 113 5.559 13.438 -13.520 1.00 0.00 H new ATOM 1693 N GLY A 114 8.018 6.405 -7.543 1.00 0.00 N ATOM 1694 CA GLY A 114 7.243 5.775 -6.490 1.00 0.00 C ATOM 1695 C GLY A 114 7.645 6.288 -5.112 1.00 0.00 C ATOM 1696 O GLY A 114 8.442 7.218 -4.979 1.00 0.00 O ATOM 0 H GLY A 114 8.676 5.769 -7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 114 6.183 5.966 -6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.383 4.695 -6.531 1.00 0.00 H new ATOM 1700 N TRP A 115 7.078 5.653 -4.086 1.00 0.00 N ATOM 1701 CA TRP A 115 7.188 5.985 -2.671 1.00 0.00 C ATOM 1702 C TRP A 115 8.620 6.400 -2.307 1.00 0.00 C ATOM 1703 O TRP A 115 8.813 7.544 -1.881 1.00 0.00 O ATOM 1704 CB TRP A 115 6.689 4.790 -1.833 1.00 0.00 C ATOM 1705 CG TRP A 115 6.363 5.030 -0.392 1.00 0.00 C ATOM 1706 CD1 TRP A 115 7.262 5.104 0.612 1.00 0.00 C ATOM 1707 CD2 TRP A 115 5.057 5.199 0.236 1.00 0.00 C ATOM 1708 NE1 TRP A 115 6.608 5.282 1.814 1.00 0.00 N ATOM 1709 CE2 TRP A 115 5.240 5.339 1.642 1.00 0.00 C ATOM 1710 CE3 TRP A 115 3.734 5.279 -0.243 1.00 0.00 C ATOM 1711 CZ2 TRP A 115 4.158 5.557 2.512 1.00 0.00 C ATOM 1712 CZ3 TRP A 115 2.644 5.498 0.616 1.00 0.00 C ATOM 1713 CH2 TRP A 115 2.857 5.641 1.994 1.00 0.00 C ATOM 0 H TRP A 115 6.488 4.835 -4.236 1.00 0.00 H new ATOM 0 HA TRP A 115 6.559 6.847 -2.447 1.00 0.00 H new ATOM 0 HB2 TRP A 115 5.796 4.393 -2.316 1.00 0.00 H new ATOM 0 HB3 TRP A 115 7.449 4.010 -1.878 1.00 0.00 H new ATOM 0 HD1 TRP A 115 8.333 5.034 0.492 1.00 0.00 H new ATOM 0 HE1 TRP A 115 7.077 5.361 2.716 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.553 5.169 -1.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.327 5.659 3.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 1.643 5.556 0.215 1.00 0.00 H new ATOM 0 HH2 TRP A 115 2.021 5.815 2.656 1.00 0.00 H new ATOM 1724 N LEU A 116 9.598 5.503 -2.517 1.00 0.00 N ATOM 1725 CA LEU A 116 11.015 5.749 -2.218 1.00 0.00 C ATOM 1726 C LEU A 116 11.446 7.077 -2.822 1.00 0.00 C ATOM 1727 O LEU A 116 11.793 8.019 -2.107 1.00 0.00 O ATOM 1728 CB LEU A 116 11.927 4.633 -2.763 1.00 0.00 C ATOM 1729 CG LEU A 116 11.842 3.272 -2.058 1.00 0.00 C ATOM 1730 CD1 LEU A 116 12.672 2.270 -2.862 1.00 0.00 C ATOM 1731 CD2 LEU A 116 12.339 3.272 -0.615 1.00 0.00 C ATOM 0 H LEU A 116 9.422 4.576 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 116 11.117 5.770 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.693 4.486 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.959 4.980 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 116 10.786 3.007 -2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.628 1.293 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.272 2.195 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.708 2.607 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.242 2.270 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.386 3.575 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.745 3.970 -0.026 1.00 0.00 H new ATOM 1743 N ASN A 117 11.364 7.151 -4.149 1.00 0.00 N ATOM 1744 CA ASN A 117 11.815 8.222 -5.031 1.00 0.00 C ATOM 1745 C ASN A 117 11.010 9.518 -4.839 1.00 0.00 C ATOM 1746 O ASN A 117 11.112 10.431 -5.663 1.00 0.00 O ATOM 1747 CB ASN A 117 11.724 7.748 -6.501 1.00 0.00 C ATOM 1748 CG ASN A 117 12.577 6.527 -6.855 1.00 0.00 C ATOM 1749 OD1 ASN A 117 12.964 5.736 -5.998 1.00 0.00 O ATOM 1750 ND2 ASN A 117 12.849 6.324 -8.129 1.00 0.00 N ATOM 0 H ASN A 117 10.941 6.391 -4.682 1.00 0.00 H new ATOM 0 HA ASN A 117 12.849 8.451 -4.775 1.00 0.00 H new ATOM 0 HB2 ASN A 117 10.682 7.519 -6.727 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.017 8.574 -7.149 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.386 5.504 -8.412 1.00 0.00 H new ATOM 0 HD22 ASN A 117 12.523 6.987 -8.832 1.00 0.00 H new ATOM 1757 N SER A 118 10.192 9.626 -3.792 1.00 0.00 N ATOM 1758 CA SER A 118 9.356 10.765 -3.465 1.00 0.00 C ATOM 1759 C SER A 118 9.644 11.264 -2.037 1.00 0.00 C ATOM 1760 O SER A 118 8.789 11.951 -1.464 1.00 0.00 O ATOM 1761 CB SER A 118 7.897 10.355 -3.721 1.00 0.00 C ATOM 1762 OG SER A 118 7.035 11.480 -3.685 1.00 0.00 O ATOM 0 H SER A 118 10.095 8.871 -3.113 1.00 0.00 H new ATOM 0 HA SER A 118 9.575 11.625 -4.097 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.819 9.865 -4.691 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.583 9.629 -2.971 1.00 0.00 H new ATOM 0 HG SER A 118 7.276 12.053 -2.927 1.00 0.00 H new ATOM 1768 N SER A 119 10.818 10.958 -1.464 1.00 0.00 N ATOM 1769 CA SER A 119 11.284 11.416 -0.144 1.00 0.00 C ATOM 1770 C SER A 119 10.450 10.899 1.031 1.00 0.00 C ATOM 1771 O SER A 119 10.426 11.495 2.117 1.00 0.00 O ATOM 1772 CB SER A 119 11.391 12.943 -0.107 1.00 0.00 C ATOM 1773 OG SER A 119 12.264 13.390 -1.118 1.00 0.00 O ATOM 0 H SER A 119 11.500 10.358 -1.928 1.00 0.00 H new ATOM 0 HA SER A 119 12.274 10.980 -0.013 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.405 13.388 -0.243 1.00 0.00 H new ATOM 0 HB3 SER A 119 11.755 13.267 0.868 1.00 0.00 H new ATOM 0 HG SER A 119 12.325 14.368 -1.088 1.00 0.00 H new ATOM 1779 N LEU A 120 9.696 9.828 0.814 1.00 0.00 N ATOM 1780 CA LEU A 120 8.776 9.318 1.810 1.00 0.00 C ATOM 1781 C LEU A 120 9.531 8.508 2.876 1.00 0.00 C ATOM 1782 O LEU A 120 10.625 8.005 2.598 1.00 0.00 O ATOM 1783 CB LEU A 120 7.694 8.514 1.073 1.00 0.00 C ATOM 1784 CG LEU A 120 6.773 9.401 0.198 1.00 0.00 C ATOM 1785 CD1 LEU A 120 5.586 8.626 -0.376 1.00 0.00 C ATOM 1786 CD2 LEU A 120 6.226 10.635 0.933 1.00 0.00 C ATOM 0 H LEU A 120 9.708 9.294 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 120 8.288 10.125 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.172 7.764 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.087 7.978 1.803 1.00 0.00 H new ATOM 0 HG LEU A 120 7.424 9.735 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.973 9.294 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.951 7.808 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.986 8.223 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.590 11.208 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.643 10.315 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.056 11.258 1.266 1.00 0.00 H new ATOM 1798 N PRO A 121 8.961 8.340 4.081 1.00 0.00 N ATOM 1799 CA PRO A 121 9.482 7.443 5.101 1.00 0.00 C ATOM 1800 C PRO A 121 9.370 5.967 4.683 1.00 0.00 C ATOM 1801 O PRO A 121 8.382 5.534 4.075 1.00 0.00 O ATOM 1802 CB PRO A 121 8.617 7.740 6.328 1.00 0.00 C ATOM 1803 CG PRO A 121 7.261 8.104 5.732 1.00 0.00 C ATOM 1804 CD PRO A 121 7.692 8.904 4.518 1.00 0.00 C ATOM 0 HA PRO A 121 10.545 7.602 5.284 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.546 6.875 6.987 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.028 8.558 6.919 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.678 7.223 5.461 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.651 8.691 6.419 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.946 8.840 3.726 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.802 9.959 4.768 1.00 0.00 H new ATOM 1812 N TRP A 122 10.354 5.164 5.084 1.00 0.00 N ATOM 1813 CA TRP A 122 10.413 3.722 4.876 1.00 0.00 C ATOM 1814 C TRP A 122 10.857 3.066 6.186 1.00 0.00 C ATOM 1815 O TRP A 122 11.335 3.757 7.088 1.00 0.00 O ATOM 1816 CB TRP A 122 11.376 3.422 3.718 1.00 0.00 C ATOM 1817 CG TRP A 122 11.161 2.124 3.003 1.00 0.00 C ATOM 1818 CD1 TRP A 122 12.053 1.119 2.911 1.00 0.00 C ATOM 1819 CD2 TRP A 122 10.025 1.708 2.189 1.00 0.00 C ATOM 1820 NE1 TRP A 122 11.530 0.092 2.162 1.00 0.00 N ATOM 1821 CE2 TRP A 122 10.253 0.377 1.733 1.00 0.00 C ATOM 1822 CE3 TRP A 122 8.829 2.325 1.781 1.00 0.00 C ATOM 1823 CZ2 TRP A 122 9.298 -0.340 1.001 1.00 0.00 C ATOM 1824 CZ3 TRP A 122 7.879 1.634 1.004 1.00 0.00 C ATOM 1825 CH2 TRP A 122 8.095 0.293 0.644 1.00 0.00 C ATOM 0 H TRP A 122 11.168 5.519 5.585 1.00 0.00 H new ATOM 0 HA TRP A 122 9.439 3.316 4.604 1.00 0.00 H new ATOM 0 HB2 TRP A 122 11.301 4.231 2.991 1.00 0.00 H new ATOM 0 HB3 TRP A 122 12.394 3.435 4.106 1.00 0.00 H new ATOM 0 HD1 TRP A 122 13.035 1.120 3.360 1.00 0.00 H new ATOM 0 HE1 TRP A 122 12.026 -0.774 1.950 1.00 0.00 H new ATOM 0 HE3 TRP A 122 8.635 3.348 2.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 9.483 -1.365 0.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 6.979 2.138 0.683 1.00 0.00 H new ATOM 0 HH2 TRP A 122 7.339 -0.249 0.095 1.00 0.00 H new ATOM 1836 N ILE A 123 10.687 1.751 6.312 1.00 0.00 N ATOM 1837 CA ILE A 123 11.119 0.952 7.463 1.00 0.00 C ATOM 1838 C ILE A 123 12.470 0.286 7.163 1.00 0.00 C ATOM 1839 O ILE A 123 13.271 0.116 8.082 1.00 0.00 O ATOM 1840 CB ILE A 123 10.032 -0.098 7.837 1.00 0.00 C ATOM 1841 CG1 ILE A 123 8.708 0.589 8.220 1.00 0.00 C ATOM 1842 CG2 ILE A 123 10.489 -0.994 8.998 1.00 0.00 C ATOM 1843 CD1 ILE A 123 7.531 -0.343 8.502 1.00 0.00 C ATOM 0 H ILE A 123 10.229 1.191 5.592 1.00 0.00 H new ATOM 0 HA ILE A 123 11.251 1.607 8.324 1.00 0.00 H new ATOM 0 HB ILE A 123 9.875 -0.718 6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 123 8.881 1.202 9.105 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.426 1.266 7.414 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.705 -1.715 9.232 1.00 0.00 H new ATOM 0 HG22 ILE A 123 11.397 -1.525 8.712 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.690 -0.379 9.875 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.653 0.248 8.761 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.318 -0.939 7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.781 -1.004 9.332 1.00 0.00 H new ATOM 1855 N GLU A 124 12.695 -0.120 5.904 1.00 0.00 N ATOM 1856 CA GLU A 124 13.767 -1.017 5.449 1.00 0.00 C ATOM 1857 C GLU A 124 13.670 -2.426 6.084 1.00 0.00 C ATOM 1858 O GLU A 124 13.010 -2.616 7.112 1.00 0.00 O ATOM 1859 CB GLU A 124 15.157 -0.349 5.625 1.00 0.00 C ATOM 1860 CG GLU A 124 15.500 0.474 4.378 1.00 0.00 C ATOM 1861 CD GLU A 124 16.894 1.088 4.427 1.00 0.00 C ATOM 1862 OE1 GLU A 124 17.878 0.366 4.158 1.00 0.00 O ATOM 1863 OE2 GLU A 124 17.004 2.304 4.721 1.00 0.00 O ATOM 0 H GLU A 124 12.100 0.186 5.134 1.00 0.00 H new ATOM 0 HA GLU A 124 13.634 -1.185 4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.153 0.293 6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.919 -1.111 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.422 -0.164 3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 124 14.764 1.269 4.262 1.00 0.00 H new ATOM 1870 N PRO A 125 14.364 -3.443 5.536 1.00 0.00 N ATOM 1871 CA PRO A 125 14.718 -4.644 6.288 1.00 0.00 C ATOM 1872 C PRO A 125 15.673 -4.296 7.458 1.00 0.00 C ATOM 1873 O PRO A 125 15.743 -3.149 7.907 1.00 0.00 O ATOM 1874 CB PRO A 125 15.300 -5.604 5.242 1.00 0.00 C ATOM 1875 CG PRO A 125 15.887 -4.708 4.164 1.00 0.00 C ATOM 1876 CD PRO A 125 15.148 -3.384 4.309 1.00 0.00 C ATOM 0 HA PRO A 125 13.871 -5.118 6.785 1.00 0.00 H new ATOM 0 HB2 PRO A 125 16.064 -6.247 5.679 1.00 0.00 H new ATOM 0 HB3 PRO A 125 14.529 -6.257 4.834 1.00 0.00 H new ATOM 0 HG2 PRO A 125 16.961 -4.578 4.300 1.00 0.00 H new ATOM 0 HG3 PRO A 125 15.741 -5.136 3.172 1.00 0.00 H new ATOM 0 HD2 PRO A 125 15.854 -2.555 4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 125 14.500 -3.212 3.450 1.00 0.00 H new