USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 625 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 32 ASN : amide:sc= -0.281 K(o=-0.27,f=-3!) USER MOD Set 1.2: A 34 SER OG : rot 101:sc= 0.0155 USER MOD Set 2.1: A 14 THR OG1 : rot -157:sc= -0.048 USER MOD Set 2.2: A 67 GLN : amide:sc= -0.801 K(o=-0.85,f=-3.9!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -93:sc= 0.0203 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.418 K(o=-0.42,f=-3.4!) USER MOD Single : A 22 SER OG : rot -49:sc= 0.207! USER MOD Single : A 29 TYR OH : rot 174:sc= 0.873 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 161:sc= -0.946 (180deg=-1.67!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0863 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.286 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.472 X(o=-0.47,f=-0.035) USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= -0.137 (180deg=-0.72) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.242) USER MOD Single : A 88 ASN : amide:sc= -1.37 X(o=-1.4,f=-0.96) USER MOD Single : A 90 LYS NZ :NH3+ -157:sc= -0.217 (180deg=-0.978) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -10.256 -0.468 -20.171 1.00 0.00 N ATOM 44 CA VAL A 4 -10.527 -0.265 -18.720 1.00 0.00 C ATOM 45 C VAL A 4 -10.063 1.133 -18.305 1.00 0.00 C ATOM 46 O VAL A 4 -9.737 1.960 -19.133 1.00 0.00 O ATOM 47 CB VAL A 4 -9.768 -1.315 -17.907 1.00 0.00 C ATOM 48 CG1 VAL A 4 -10.311 -2.707 -18.237 1.00 0.00 C ATOM 49 CG2 VAL A 4 -8.280 -1.252 -18.260 1.00 0.00 C ATOM 0 HA VAL A 4 -11.596 -0.364 -18.534 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.900 -1.117 -16.843 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.770 -3.455 -17.658 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.371 -2.752 -17.988 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.179 -2.906 -19.300 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.737 -2.000 -17.682 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.150 -1.451 -19.324 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.892 -0.260 -18.026 1.00 0.00 H new ATOM 59 N THR A 5 -10.031 1.402 -17.029 1.00 0.00 N ATOM 60 CA THR A 5 -9.587 2.746 -16.561 1.00 0.00 C ATOM 61 C THR A 5 -8.252 2.614 -15.825 1.00 0.00 C ATOM 62 O THR A 5 -8.077 1.749 -14.990 1.00 0.00 O ATOM 63 CB THR A 5 -10.638 3.329 -15.613 1.00 0.00 C ATOM 64 OG1 THR A 5 -11.665 3.951 -16.374 1.00 0.00 O ATOM 65 CG2 THR A 5 -9.984 4.362 -14.696 1.00 0.00 C ATOM 0 H THR A 5 -10.293 0.750 -16.290 1.00 0.00 H new ATOM 0 HA THR A 5 -9.465 3.408 -17.418 1.00 0.00 H new ATOM 0 HB THR A 5 -11.066 2.530 -15.008 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.340 4.324 -15.769 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.734 4.776 -14.022 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.196 3.884 -14.114 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.555 5.163 -15.298 1.00 0.00 H new ATOM 73 N LYS A 6 -7.310 3.465 -16.127 1.00 0.00 N ATOM 74 CA LYS A 6 -5.988 3.386 -15.444 1.00 0.00 C ATOM 75 C LYS A 6 -5.864 4.531 -14.437 1.00 0.00 C ATOM 76 O LYS A 6 -5.882 5.692 -14.798 1.00 0.00 O ATOM 77 CB LYS A 6 -4.871 3.496 -16.484 1.00 0.00 C ATOM 78 CG LYS A 6 -4.979 2.336 -17.474 1.00 0.00 C ATOM 79 CD LYS A 6 -3.883 2.465 -18.534 1.00 0.00 C ATOM 80 CE LYS A 6 -3.597 1.092 -19.144 1.00 0.00 C ATOM 81 NZ LYS A 6 -2.940 1.265 -20.471 1.00 0.00 N ATOM 0 H LYS A 6 -7.399 4.211 -16.817 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.905 2.433 -14.921 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.944 4.447 -17.012 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.899 3.479 -15.992 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.882 1.386 -16.949 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.960 2.339 -17.948 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.195 3.162 -19.312 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.976 2.872 -18.087 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.954 0.514 -18.480 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.525 0.531 -19.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.745 0.332 -20.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.569 1.801 -21.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.047 1.784 -20.351 1.00 0.00 H new ATOM 95 N TYR A 7 -5.737 4.216 -13.177 1.00 0.00 N ATOM 96 CA TYR A 7 -5.611 5.287 -12.150 1.00 0.00 C ATOM 97 C TYR A 7 -4.134 5.638 -11.960 1.00 0.00 C ATOM 98 O TYR A 7 -3.309 4.780 -11.713 1.00 0.00 O ATOM 99 CB TYR A 7 -6.194 4.792 -10.823 1.00 0.00 C ATOM 100 CG TYR A 7 -7.475 5.533 -10.524 1.00 0.00 C ATOM 101 CD1 TYR A 7 -8.443 5.691 -11.523 1.00 0.00 C ATOM 102 CD2 TYR A 7 -7.694 6.065 -9.247 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.630 6.379 -11.246 1.00 0.00 C ATOM 104 CE2 TYR A 7 -8.882 6.752 -8.970 1.00 0.00 C ATOM 105 CZ TYR A 7 -9.850 6.909 -9.970 1.00 0.00 C ATOM 106 OH TYR A 7 -11.020 7.587 -9.696 1.00 0.00 O ATOM 0 H TYR A 7 -5.715 3.263 -12.815 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.156 6.172 -12.478 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.386 3.720 -10.876 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.476 4.948 -10.018 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.274 5.282 -12.508 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.947 5.945 -8.476 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.376 6.501 -12.017 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.052 7.161 -7.985 1.00 0.00 H new ATOM 0 HH TYR A 7 -11.013 7.889 -8.764 1.00 0.00 H new ATOM 116 N PHE A 8 -3.793 6.892 -12.071 1.00 0.00 N ATOM 117 CA PHE A 8 -2.370 7.297 -11.896 1.00 0.00 C ATOM 118 C PHE A 8 -2.105 7.604 -10.422 1.00 0.00 C ATOM 119 O PHE A 8 -3.014 7.857 -9.656 1.00 0.00 O ATOM 120 CB PHE A 8 -2.087 8.543 -12.737 1.00 0.00 C ATOM 121 CG PHE A 8 -1.410 8.140 -14.025 1.00 0.00 C ATOM 122 CD1 PHE A 8 -2.048 7.256 -14.904 1.00 0.00 C ATOM 123 CD2 PHE A 8 -0.146 8.650 -14.340 1.00 0.00 C ATOM 124 CE1 PHE A 8 -1.421 6.883 -16.098 1.00 0.00 C ATOM 125 CE2 PHE A 8 0.482 8.275 -15.534 1.00 0.00 C ATOM 126 CZ PHE A 8 -0.155 7.392 -16.414 1.00 0.00 C ATOM 0 H PHE A 8 -4.439 7.654 -12.276 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.719 6.485 -12.220 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.018 9.068 -12.952 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.453 9.233 -12.181 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.024 6.862 -14.660 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.345 9.333 -13.663 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.914 6.202 -16.776 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.459 8.667 -15.776 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.329 7.104 -17.335 1.00 0.00 H new ATOM 136 N TYR A 9 -0.864 7.586 -10.016 1.00 0.00 N ATOM 137 CA TYR A 9 -0.541 7.877 -8.591 1.00 0.00 C ATOM 138 C TYR A 9 0.852 8.502 -8.502 1.00 0.00 C ATOM 139 O TYR A 9 1.855 7.832 -8.651 1.00 0.00 O ATOM 140 CB TYR A 9 -0.570 6.577 -7.785 1.00 0.00 C ATOM 141 CG TYR A 9 -0.053 6.835 -6.390 1.00 0.00 C ATOM 142 CD1 TYR A 9 1.318 6.734 -6.121 1.00 0.00 C ATOM 143 CD2 TYR A 9 -0.943 7.175 -5.366 1.00 0.00 C ATOM 144 CE1 TYR A 9 1.798 6.974 -4.828 1.00 0.00 C ATOM 145 CE2 TYR A 9 -0.464 7.414 -4.072 1.00 0.00 C ATOM 146 CZ TYR A 9 0.907 7.313 -3.804 1.00 0.00 C ATOM 147 OH TYR A 9 1.379 7.550 -2.529 1.00 0.00 O ATOM 0 H TYR A 9 -0.060 7.382 -10.610 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.277 8.571 -8.186 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.587 6.187 -7.741 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.041 5.819 -8.276 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.005 6.471 -6.912 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.000 7.253 -5.573 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.855 6.898 -4.621 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.151 7.676 -3.281 1.00 0.00 H new ATOM 0 HH TYR A 9 1.338 6.722 -2.006 1.00 0.00 H new ATOM 157 N LYS A 10 0.925 9.783 -8.263 1.00 0.00 N ATOM 158 CA LYS A 10 2.255 10.449 -8.166 1.00 0.00 C ATOM 159 C LYS A 10 2.935 10.043 -6.858 1.00 0.00 C ATOM 160 O LYS A 10 2.377 10.181 -5.788 1.00 0.00 O ATOM 161 CB LYS A 10 2.068 11.967 -8.195 1.00 0.00 C ATOM 162 CG LYS A 10 3.427 12.652 -8.026 1.00 0.00 C ATOM 163 CD LYS A 10 3.573 13.149 -6.586 1.00 0.00 C ATOM 164 CE LYS A 10 2.904 14.517 -6.447 1.00 0.00 C ATOM 165 NZ LYS A 10 2.726 14.839 -5.004 1.00 0.00 N ATOM 0 H LYS A 10 0.121 10.397 -8.131 1.00 0.00 H new ATOM 0 HA LYS A 10 2.877 10.144 -9.008 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.611 12.270 -9.137 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.391 12.276 -7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.230 11.954 -8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.514 13.487 -8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.117 12.438 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.628 13.220 -6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.513 15.282 -6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.938 14.514 -6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.271 15.769 -4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.128 14.114 -4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.654 14.858 -4.536 1.00 0.00 H new ATOM 179 N GLY A 11 4.139 9.545 -6.934 1.00 0.00 N ATOM 180 CA GLY A 11 4.854 9.131 -5.694 1.00 0.00 C ATOM 181 C GLY A 11 5.821 10.239 -5.269 1.00 0.00 C ATOM 182 O GLY A 11 5.585 11.406 -5.507 1.00 0.00 O ATOM 0 H GLY A 11 4.658 9.407 -7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.137 8.933 -4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.400 8.204 -5.869 1.00 0.00 H new ATOM 186 N GLU A 12 6.909 9.882 -4.643 1.00 0.00 N ATOM 187 CA GLU A 12 7.888 10.916 -4.205 1.00 0.00 C ATOM 188 C GLU A 12 8.597 11.498 -5.430 1.00 0.00 C ATOM 189 O GLU A 12 8.981 12.650 -5.449 1.00 0.00 O ATOM 190 CB GLU A 12 8.921 10.278 -3.273 1.00 0.00 C ATOM 191 CG GLU A 12 9.799 11.370 -2.660 1.00 0.00 C ATOM 192 CD GLU A 12 11.185 10.799 -2.353 1.00 0.00 C ATOM 193 OE1 GLU A 12 11.714 10.095 -3.199 1.00 0.00 O ATOM 194 OE2 GLU A 12 11.695 11.074 -1.279 1.00 0.00 O ATOM 0 H GLU A 12 7.162 8.920 -4.416 1.00 0.00 H new ATOM 0 HA GLU A 12 7.364 11.712 -3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.418 9.716 -2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.537 9.569 -3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.885 12.211 -3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.340 11.750 -1.747 1.00 0.00 H new ATOM 201 N ASN A 13 8.773 10.708 -6.454 1.00 0.00 N ATOM 202 CA ASN A 13 9.455 11.216 -7.678 1.00 0.00 C ATOM 203 C ASN A 13 8.977 10.419 -8.893 1.00 0.00 C ATOM 204 O ASN A 13 8.571 10.979 -9.893 1.00 0.00 O ATOM 205 CB ASN A 13 10.970 11.049 -7.525 1.00 0.00 C ATOM 206 CG ASN A 13 11.594 12.379 -7.093 1.00 0.00 C ATOM 207 OD1 ASN A 13 10.994 13.424 -7.243 1.00 0.00 O ATOM 208 ND2 ASN A 13 12.786 12.382 -6.562 1.00 0.00 N ATOM 0 H ASN A 13 8.474 9.734 -6.496 1.00 0.00 H new ATOM 0 HA ASN A 13 9.217 12.271 -7.816 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.188 10.277 -6.787 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.407 10.721 -8.468 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.213 13.262 -6.273 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.290 11.504 -6.436 1.00 0.00 H new ATOM 215 N THR A 14 9.021 9.118 -8.817 1.00 0.00 N ATOM 216 CA THR A 14 8.568 8.287 -9.968 1.00 0.00 C ATOM 217 C THR A 14 7.039 8.250 -10.000 1.00 0.00 C ATOM 218 O THR A 14 6.380 8.677 -9.073 1.00 0.00 O ATOM 219 CB THR A 14 9.111 6.864 -9.814 1.00 0.00 C ATOM 220 OG1 THR A 14 8.815 6.118 -10.986 1.00 0.00 O ATOM 221 CG2 THR A 14 8.459 6.195 -8.603 1.00 0.00 C ATOM 0 H THR A 14 9.351 8.594 -8.007 1.00 0.00 H new ATOM 0 HA THR A 14 8.940 8.719 -10.897 1.00 0.00 H new ATOM 0 HB THR A 14 10.191 6.900 -9.668 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.823 5.161 -10.775 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.846 5.182 -8.495 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.686 6.769 -7.704 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.379 6.157 -8.746 1.00 0.00 H new ATOM 229 N ASP A 15 6.471 7.743 -11.059 1.00 0.00 N ATOM 230 CA ASP A 15 4.985 7.679 -11.150 1.00 0.00 C ATOM 231 C ASP A 15 4.542 6.216 -11.214 1.00 0.00 C ATOM 232 O ASP A 15 5.102 5.419 -11.940 1.00 0.00 O ATOM 233 CB ASP A 15 4.519 8.411 -12.410 1.00 0.00 C ATOM 234 CG ASP A 15 2.990 8.425 -12.457 1.00 0.00 C ATOM 235 OD1 ASP A 15 2.384 8.197 -11.423 1.00 0.00 O ATOM 236 OD2 ASP A 15 2.452 8.665 -13.525 1.00 0.00 O ATOM 0 H ASP A 15 6.972 7.370 -11.866 1.00 0.00 H new ATOM 0 HA ASP A 15 4.545 8.153 -10.273 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.903 9.431 -12.413 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.916 7.918 -13.297 1.00 0.00 H new ATOM 241 N LEU A 16 3.538 5.857 -10.461 1.00 0.00 N ATOM 242 CA LEU A 16 3.059 4.446 -10.481 1.00 0.00 C ATOM 243 C LEU A 16 1.674 4.385 -11.129 1.00 0.00 C ATOM 244 O LEU A 16 0.813 5.197 -10.852 1.00 0.00 O ATOM 245 CB LEU A 16 2.976 3.916 -9.048 1.00 0.00 C ATOM 246 CG LEU A 16 4.381 3.832 -8.452 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.293 3.353 -7.001 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.221 2.845 -9.264 1.00 0.00 C ATOM 0 H LEU A 16 3.029 6.480 -9.833 1.00 0.00 H new ATOM 0 HA LEU A 16 3.755 3.834 -11.055 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.351 4.572 -8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.507 2.932 -9.040 1.00 0.00 H new ATOM 0 HG LEU A 16 4.847 4.817 -8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.295 3.293 -6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.695 4.056 -6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.827 2.368 -6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.223 2.785 -8.839 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.755 1.860 -9.235 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.285 3.186 -10.297 1.00 0.00 H new ATOM 260 N ILE A 17 1.453 3.428 -11.988 1.00 0.00 N ATOM 261 CA ILE A 17 0.124 3.316 -12.652 1.00 0.00 C ATOM 262 C ILE A 17 -0.543 2.004 -12.236 1.00 0.00 C ATOM 263 O ILE A 17 0.061 0.950 -12.274 1.00 0.00 O ATOM 264 CB ILE A 17 0.308 3.337 -14.170 1.00 0.00 C ATOM 265 CG1 ILE A 17 1.161 4.546 -14.563 1.00 0.00 C ATOM 266 CG2 ILE A 17 -1.060 3.435 -14.850 1.00 0.00 C ATOM 267 CD1 ILE A 17 1.578 4.421 -16.029 1.00 0.00 C ATOM 0 H ILE A 17 2.135 2.719 -12.258 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.504 4.155 -12.352 1.00 0.00 H new ATOM 0 HB ILE A 17 0.806 2.421 -14.488 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.598 5.467 -14.411 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.044 4.604 -13.926 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.928 3.450 -15.932 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.668 2.575 -14.570 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.559 4.350 -14.533 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.185 5.282 -16.309 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.157 3.508 -16.166 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.689 4.384 -16.658 1.00 0.00 H new ATOM 279 N VAL A 18 -1.785 2.056 -11.839 1.00 0.00 N ATOM 280 CA VAL A 18 -2.487 0.811 -11.422 1.00 0.00 C ATOM 281 C VAL A 18 -3.674 0.557 -12.352 1.00 0.00 C ATOM 282 O VAL A 18 -4.192 1.462 -12.976 1.00 0.00 O ATOM 283 CB VAL A 18 -2.990 0.965 -9.985 1.00 0.00 C ATOM 284 CG1 VAL A 18 -1.805 0.899 -9.019 1.00 0.00 C ATOM 285 CG2 VAL A 18 -3.693 2.317 -9.835 1.00 0.00 C ATOM 0 H VAL A 18 -2.344 2.908 -11.786 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.796 -0.030 -11.477 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.690 0.161 -9.757 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.163 1.009 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.301 -0.062 -9.126 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.105 1.703 -9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.052 2.429 -8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.991 3.119 -10.063 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.537 2.367 -10.523 1.00 0.00 H new ATOM 295 N PHE A 19 -4.111 -0.669 -12.451 1.00 0.00 N ATOM 296 CA PHE A 19 -5.264 -0.981 -13.342 1.00 0.00 C ATOM 297 C PHE A 19 -6.564 -0.907 -12.538 1.00 0.00 C ATOM 298 O PHE A 19 -6.583 -1.150 -11.348 1.00 0.00 O ATOM 299 CB PHE A 19 -5.099 -2.389 -13.916 1.00 0.00 C ATOM 300 CG PHE A 19 -4.227 -2.334 -15.147 1.00 0.00 C ATOM 301 CD1 PHE A 19 -3.261 -1.329 -15.278 1.00 0.00 C ATOM 302 CD2 PHE A 19 -4.385 -3.289 -16.160 1.00 0.00 C ATOM 303 CE1 PHE A 19 -2.453 -1.278 -16.420 1.00 0.00 C ATOM 304 CE2 PHE A 19 -3.576 -3.238 -17.302 1.00 0.00 C ATOM 305 CZ PHE A 19 -2.611 -2.232 -17.432 1.00 0.00 C ATOM 0 H PHE A 19 -3.719 -1.468 -11.953 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.299 -0.258 -14.157 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.652 -3.047 -13.170 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.074 -2.807 -14.167 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.139 -0.593 -14.497 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.130 -4.064 -16.060 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.708 -0.503 -16.520 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.697 -3.975 -18.082 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.988 -2.192 -18.313 1.00 0.00 H new ATOM 315 N ALA A 20 -7.651 -0.572 -13.177 1.00 0.00 N ATOM 316 CA ALA A 20 -8.947 -0.483 -12.449 1.00 0.00 C ATOM 317 C ALA A 20 -10.059 -1.080 -13.313 1.00 0.00 C ATOM 318 O ALA A 20 -9.889 -1.306 -14.494 1.00 0.00 O ATOM 319 CB ALA A 20 -9.265 0.984 -12.151 1.00 0.00 C ATOM 0 H ALA A 20 -7.697 -0.356 -14.173 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.877 -1.037 -11.513 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.214 1.050 -11.618 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.473 1.410 -11.536 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.335 1.538 -13.087 1.00 0.00 H new ATOM 325 N ALA A 21 -11.200 -1.340 -12.731 1.00 0.00 N ATOM 326 CA ALA A 21 -12.322 -1.923 -13.521 1.00 0.00 C ATOM 327 C ALA A 21 -13.200 -0.796 -14.066 1.00 0.00 C ATOM 328 O ALA A 21 -13.510 -0.751 -15.240 1.00 0.00 O ATOM 329 CB ALA A 21 -13.160 -2.833 -12.619 1.00 0.00 C ATOM 0 H ALA A 21 -11.402 -1.174 -11.745 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.920 -2.504 -14.351 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.981 -3.260 -13.195 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.534 -3.636 -12.229 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.563 -2.252 -11.789 1.00 0.00 H new ATOM 335 N SER A 22 -13.605 0.114 -13.224 1.00 0.00 N ATOM 336 CA SER A 22 -14.465 1.236 -13.695 1.00 0.00 C ATOM 337 C SER A 22 -14.490 2.339 -12.635 1.00 0.00 C ATOM 338 O SER A 22 -14.504 2.073 -11.449 1.00 0.00 O ATOM 339 CB SER A 22 -15.886 0.726 -13.934 1.00 0.00 C ATOM 340 OG SER A 22 -15.828 -0.592 -14.463 1.00 0.00 O ATOM 0 H SER A 22 -13.378 0.129 -12.230 1.00 0.00 H new ATOM 0 HA SER A 22 -14.062 1.635 -14.626 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.449 0.731 -13.000 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.410 1.385 -14.626 1.00 0.00 H new ATOM 0 HG SER A 22 -15.199 -0.616 -15.214 1.00 0.00 H new ATOM 346 N GLU A 23 -14.497 3.575 -13.052 1.00 0.00 N ATOM 347 CA GLU A 23 -14.521 4.694 -12.067 1.00 0.00 C ATOM 348 C GLU A 23 -15.740 4.543 -11.154 1.00 0.00 C ATOM 349 O GLU A 23 -15.689 4.850 -9.979 1.00 0.00 O ATOM 350 CB GLU A 23 -14.605 6.028 -12.813 1.00 0.00 C ATOM 351 CG GLU A 23 -15.916 6.093 -13.598 1.00 0.00 C ATOM 352 CD GLU A 23 -15.687 6.840 -14.912 1.00 0.00 C ATOM 353 OE1 GLU A 23 -15.704 8.060 -14.889 1.00 0.00 O ATOM 354 OE2 GLU A 23 -15.498 6.180 -15.922 1.00 0.00 O ATOM 0 H GLU A 23 -14.487 3.859 -14.032 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.612 4.670 -11.467 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.551 6.856 -12.106 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.758 6.132 -13.491 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -16.282 5.086 -13.799 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.681 6.599 -13.008 1.00 0.00 H new ATOM 361 N GLU A 24 -16.836 4.074 -11.684 1.00 0.00 N ATOM 362 CA GLU A 24 -18.056 3.906 -10.846 1.00 0.00 C ATOM 363 C GLU A 24 -17.732 3.011 -9.647 1.00 0.00 C ATOM 364 O GLU A 24 -17.793 3.436 -8.510 1.00 0.00 O ATOM 365 CB GLU A 24 -19.163 3.257 -11.680 1.00 0.00 C ATOM 366 CG GLU A 24 -20.414 3.078 -10.819 1.00 0.00 C ATOM 367 CD GLU A 24 -21.039 4.446 -10.534 1.00 0.00 C ATOM 368 OE1 GLU A 24 -21.221 5.199 -11.477 1.00 0.00 O ATOM 369 OE2 GLU A 24 -21.326 4.716 -9.380 1.00 0.00 O ATOM 0 H GLU A 24 -16.939 3.800 -12.661 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.391 4.881 -10.493 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -19.391 3.878 -12.546 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -18.828 2.291 -12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -21.132 2.438 -11.331 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.156 2.582 -9.883 1.00 0.00 H new ATOM 376 N LEU A 25 -17.389 1.776 -9.891 1.00 0.00 N ATOM 377 CA LEU A 25 -17.062 0.857 -8.766 1.00 0.00 C ATOM 378 C LEU A 25 -16.049 1.528 -7.835 1.00 0.00 C ATOM 379 O LEU A 25 -16.190 1.506 -6.628 1.00 0.00 O ATOM 380 CB LEU A 25 -16.464 -0.437 -9.321 1.00 0.00 C ATOM 381 CG LEU A 25 -17.568 -1.267 -9.979 1.00 0.00 C ATOM 382 CD1 LEU A 25 -16.950 -2.212 -11.011 1.00 0.00 C ATOM 383 CD2 LEU A 25 -18.294 -2.087 -8.910 1.00 0.00 C ATOM 0 H LEU A 25 -17.321 1.364 -10.822 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.971 0.628 -8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.684 -0.208 -10.048 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.995 -1.007 -8.519 1.00 0.00 H new ATOM 0 HG LEU A 25 -18.277 -0.602 -10.473 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.737 -2.803 -11.480 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.431 -1.630 -11.772 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.242 -2.877 -10.517 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.081 -2.679 -9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -17.584 -2.752 -8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.734 -1.415 -8.173 1.00 0.00 H new ATOM 395 N VAL A 26 -15.027 2.126 -8.386 1.00 0.00 N ATOM 396 CA VAL A 26 -14.008 2.797 -7.530 1.00 0.00 C ATOM 397 C VAL A 26 -14.701 3.791 -6.596 1.00 0.00 C ATOM 398 O VAL A 26 -14.467 3.804 -5.404 1.00 0.00 O ATOM 399 CB VAL A 26 -13.008 3.541 -8.416 1.00 0.00 C ATOM 400 CG1 VAL A 26 -12.061 4.362 -7.539 1.00 0.00 C ATOM 401 CG2 VAL A 26 -12.200 2.530 -9.231 1.00 0.00 C ATOM 0 H VAL A 26 -14.854 2.179 -9.390 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.481 2.049 -6.938 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.546 4.207 -9.091 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.348 4.892 -8.171 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.636 5.082 -6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.523 3.697 -6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.487 3.059 -9.863 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.662 1.865 -8.555 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.874 1.945 -9.856 1.00 0.00 H new ATOM 411 N ASP A 27 -15.554 4.623 -7.128 1.00 0.00 N ATOM 412 CA ASP A 27 -16.261 5.614 -6.268 1.00 0.00 C ATOM 413 C ASP A 27 -17.095 4.875 -5.219 1.00 0.00 C ATOM 414 O ASP A 27 -17.192 5.294 -4.082 1.00 0.00 O ATOM 415 CB ASP A 27 -17.180 6.478 -7.136 1.00 0.00 C ATOM 416 CG ASP A 27 -17.378 7.841 -6.470 1.00 0.00 C ATOM 417 OD1 ASP A 27 -16.384 8.497 -6.203 1.00 0.00 O ATOM 418 OD2 ASP A 27 -18.519 8.206 -6.240 1.00 0.00 O ATOM 0 H ASP A 27 -15.792 4.660 -8.119 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.530 6.250 -5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.747 6.606 -8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.142 5.984 -7.270 1.00 0.00 H new ATOM 423 N GLU A 28 -17.697 3.779 -5.592 1.00 0.00 N ATOM 424 CA GLU A 28 -18.523 3.015 -4.615 1.00 0.00 C ATOM 425 C GLU A 28 -17.619 2.440 -3.523 1.00 0.00 C ATOM 426 O GLU A 28 -17.992 2.369 -2.368 1.00 0.00 O ATOM 427 CB GLU A 28 -19.239 1.871 -5.337 1.00 0.00 C ATOM 428 CG GLU A 28 -20.692 2.265 -5.604 1.00 0.00 C ATOM 429 CD GLU A 28 -21.279 1.355 -6.685 1.00 0.00 C ATOM 430 OE1 GLU A 28 -20.710 0.302 -6.917 1.00 0.00 O ATOM 431 OE2 GLU A 28 -22.287 1.728 -7.261 1.00 0.00 O ATOM 0 H GLU A 28 -17.653 3.380 -6.530 1.00 0.00 H new ATOM 0 HA GLU A 28 -19.260 3.680 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -18.734 1.647 -6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -19.202 0.965 -4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -21.276 2.182 -4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -20.745 3.306 -5.923 1.00 0.00 H new ATOM 438 N TYR A 29 -16.431 2.032 -3.877 1.00 0.00 N ATOM 439 CA TYR A 29 -15.504 1.463 -2.859 1.00 0.00 C ATOM 440 C TYR A 29 -15.013 2.581 -1.936 1.00 0.00 C ATOM 441 O TYR A 29 -14.767 2.369 -0.765 1.00 0.00 O ATOM 442 CB TYR A 29 -14.307 0.818 -3.561 1.00 0.00 C ATOM 443 CG TYR A 29 -13.249 0.473 -2.541 1.00 0.00 C ATOM 444 CD1 TYR A 29 -13.453 -0.590 -1.653 1.00 0.00 C ATOM 445 CD2 TYR A 29 -12.065 1.216 -2.482 1.00 0.00 C ATOM 446 CE1 TYR A 29 -12.472 -0.909 -0.707 1.00 0.00 C ATOM 447 CE2 TYR A 29 -11.083 0.897 -1.536 1.00 0.00 C ATOM 448 CZ TYR A 29 -11.287 -0.167 -0.648 1.00 0.00 C ATOM 449 OH TYR A 29 -10.321 -0.482 0.284 1.00 0.00 O ATOM 0 H TYR A 29 -16.063 2.068 -4.827 1.00 0.00 H new ATOM 0 HA TYR A 29 -16.028 0.710 -2.271 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -14.624 -0.081 -4.090 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.899 1.500 -4.307 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -14.367 -1.164 -1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.908 2.036 -3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.630 -1.729 -0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.169 1.471 -1.491 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.522 0.063 0.124 1.00 0.00 H new ATOM 459 N LEU A 30 -14.869 3.770 -2.454 1.00 0.00 N ATOM 460 CA LEU A 30 -14.396 4.899 -1.606 1.00 0.00 C ATOM 461 C LEU A 30 -15.292 5.020 -0.372 1.00 0.00 C ATOM 462 O LEU A 30 -14.852 5.410 0.691 1.00 0.00 O ATOM 463 CB LEU A 30 -14.455 6.200 -2.410 1.00 0.00 C ATOM 464 CG LEU A 30 -13.063 6.530 -2.951 1.00 0.00 C ATOM 465 CD1 LEU A 30 -13.160 7.703 -3.927 1.00 0.00 C ATOM 466 CD2 LEU A 30 -12.142 6.909 -1.789 1.00 0.00 C ATOM 0 H LEU A 30 -15.059 4.008 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.369 4.713 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.162 6.099 -3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -14.814 7.013 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.658 5.660 -3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.168 7.938 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.817 7.434 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.564 8.574 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.150 7.144 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.547 7.779 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.073 6.074 -1.092 1.00 0.00 H new ATOM 478 N LYS A 31 -16.547 4.687 -0.504 1.00 0.00 N ATOM 479 CA LYS A 31 -17.471 4.783 0.661 1.00 0.00 C ATOM 480 C LYS A 31 -17.586 3.413 1.333 1.00 0.00 C ATOM 481 O LYS A 31 -18.619 3.056 1.862 1.00 0.00 O ATOM 482 CB LYS A 31 -18.852 5.234 0.182 1.00 0.00 C ATOM 483 CG LYS A 31 -19.806 5.311 1.374 1.00 0.00 C ATOM 484 CD LYS A 31 -20.586 6.626 1.320 1.00 0.00 C ATOM 485 CE LYS A 31 -21.406 6.786 2.603 1.00 0.00 C ATOM 486 NZ LYS A 31 -22.817 6.385 2.344 1.00 0.00 N ATOM 0 H LYS A 31 -16.972 4.353 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.081 5.508 1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.780 6.207 -0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.237 4.535 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -20.495 4.466 1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.245 5.246 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.899 7.465 1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.244 6.635 0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.982 6.171 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -21.368 7.820 2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -23.374 6.494 3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -23.218 6.989 1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -22.845 5.392 2.037 1.00 0.00 H new ATOM 500 N ASN A 32 -16.532 2.644 1.315 1.00 0.00 N ATOM 501 CA ASN A 32 -16.582 1.298 1.952 1.00 0.00 C ATOM 502 C ASN A 32 -15.196 0.654 1.894 1.00 0.00 C ATOM 503 O ASN A 32 -15.020 -0.414 1.342 1.00 0.00 O ATOM 504 CB ASN A 32 -17.586 0.417 1.207 1.00 0.00 C ATOM 505 CG ASN A 32 -17.844 -0.858 2.011 1.00 0.00 C ATOM 506 OD1 ASN A 32 -17.202 -1.098 3.015 1.00 0.00 O ATOM 507 ND2 ASN A 32 -18.764 -1.693 1.612 1.00 0.00 N ATOM 0 H ASN A 32 -15.639 2.889 0.887 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.891 1.400 2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.519 0.959 1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.201 0.165 0.219 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -18.944 -2.546 2.142 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.304 -1.493 0.770 1.00 0.00 H new ATOM 514 N PRO A 33 -14.218 1.305 2.463 1.00 0.00 N ATOM 515 CA PRO A 33 -12.815 0.801 2.485 1.00 0.00 C ATOM 516 C PRO A 33 -12.656 -0.431 3.380 1.00 0.00 C ATOM 517 O PRO A 33 -12.544 -0.324 4.586 1.00 0.00 O ATOM 518 CB PRO A 33 -12.007 1.976 3.045 1.00 0.00 C ATOM 519 CG PRO A 33 -12.985 2.806 3.809 1.00 0.00 C ATOM 520 CD PRO A 33 -14.349 2.599 3.151 1.00 0.00 C ATOM 0 HA PRO A 33 -12.487 0.483 1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.201 1.626 3.690 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.546 2.552 2.243 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.012 2.506 4.857 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.700 3.858 3.786 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -15.150 2.579 3.890 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -14.581 3.402 2.451 1.00 0.00 H new ATOM 528 N SER A 34 -12.646 -1.600 2.801 1.00 0.00 N ATOM 529 CA SER A 34 -12.494 -2.836 3.618 1.00 0.00 C ATOM 530 C SER A 34 -11.346 -3.680 3.060 1.00 0.00 C ATOM 531 O SER A 34 -10.187 -3.344 3.209 1.00 0.00 O ATOM 532 CB SER A 34 -13.791 -3.644 3.565 1.00 0.00 C ATOM 533 OG SER A 34 -14.881 -2.806 3.925 1.00 0.00 O ATOM 0 H SER A 34 -12.737 -1.752 1.797 1.00 0.00 H new ATOM 0 HA SER A 34 -12.276 -2.564 4.651 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.942 -4.046 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.731 -4.494 4.244 1.00 0.00 H new ATOM 0 HG SER A 34 -15.347 -2.510 3.115 1.00 0.00 H new ATOM 539 N ILE A 35 -11.657 -4.771 2.417 1.00 0.00 N ATOM 540 CA ILE A 35 -10.582 -5.633 1.849 1.00 0.00 C ATOM 541 C ILE A 35 -11.166 -6.519 0.747 1.00 0.00 C ATOM 542 O ILE A 35 -10.462 -6.984 -0.127 1.00 0.00 O ATOM 543 CB ILE A 35 -9.997 -6.514 2.956 1.00 0.00 C ATOM 544 CG1 ILE A 35 -8.672 -7.115 2.480 1.00 0.00 C ATOM 545 CG2 ILE A 35 -10.978 -7.640 3.285 1.00 0.00 C ATOM 546 CD1 ILE A 35 -7.547 -6.100 2.687 1.00 0.00 C ATOM 0 H ILE A 35 -12.609 -5.103 2.260 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.796 -5.005 1.430 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.825 -5.911 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.457 -8.030 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.741 -7.387 1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.561 -8.267 4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.922 -7.213 3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.151 -8.244 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.604 -6.528 2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.762 -5.197 2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.472 -5.850 3.745 1.00 0.00 H new ATOM 558 N GLY A 36 -12.449 -6.756 0.781 1.00 0.00 N ATOM 559 CA GLY A 36 -13.076 -7.612 -0.266 1.00 0.00 C ATOM 560 C GLY A 36 -13.336 -6.777 -1.521 1.00 0.00 C ATOM 561 O GLY A 36 -12.652 -6.906 -2.516 1.00 0.00 O ATOM 0 H GLY A 36 -13.090 -6.394 1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.422 -8.451 -0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.011 -8.032 0.105 1.00 0.00 H new ATOM 565 N LYS A 37 -14.318 -5.918 -1.481 1.00 0.00 N ATOM 566 CA LYS A 37 -14.621 -5.076 -2.672 1.00 0.00 C ATOM 567 C LYS A 37 -13.311 -4.592 -3.300 1.00 0.00 C ATOM 568 O LYS A 37 -13.259 -4.252 -4.465 1.00 0.00 O ATOM 569 CB LYS A 37 -15.456 -3.869 -2.244 1.00 0.00 C ATOM 570 CG LYS A 37 -15.756 -2.995 -3.464 1.00 0.00 C ATOM 571 CD LYS A 37 -16.939 -2.075 -3.156 1.00 0.00 C ATOM 572 CE LYS A 37 -18.236 -2.735 -3.629 1.00 0.00 C ATOM 573 NZ LYS A 37 -18.560 -3.885 -2.740 1.00 0.00 N ATOM 0 H LYS A 37 -14.923 -5.763 -0.675 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.179 -5.664 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.387 -4.202 -1.785 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.919 -3.290 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.879 -2.402 -3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.984 -3.622 -4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.989 -1.876 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.805 -1.114 -3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -19.051 -2.011 -3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -18.129 -3.076 -4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.565 -4.130 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.975 -4.704 -3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.366 -3.625 -1.752 1.00 0.00 H new ATOM 587 N LEU A 38 -12.253 -4.560 -2.537 1.00 0.00 N ATOM 588 CA LEU A 38 -10.949 -4.099 -3.090 1.00 0.00 C ATOM 589 C LEU A 38 -10.457 -5.101 -4.136 1.00 0.00 C ATOM 590 O LEU A 38 -9.908 -4.730 -5.155 1.00 0.00 O ATOM 591 CB LEU A 38 -9.923 -3.995 -1.960 1.00 0.00 C ATOM 592 CG LEU A 38 -8.618 -3.413 -2.505 1.00 0.00 C ATOM 593 CD1 LEU A 38 -8.841 -1.954 -2.911 1.00 0.00 C ATOM 594 CD2 LEU A 38 -7.539 -3.481 -1.422 1.00 0.00 C ATOM 0 H LEU A 38 -12.236 -4.833 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.076 -3.121 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.310 -3.362 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.742 -4.979 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.298 -3.988 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.911 -1.538 -3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.611 -1.904 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.160 -1.379 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.608 -3.066 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.859 -2.906 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.380 -4.519 -1.131 1.00 0.00 H new ATOM 606 N SER A 39 -10.647 -6.369 -3.893 1.00 0.00 N ATOM 607 CA SER A 39 -10.188 -7.392 -4.874 1.00 0.00 C ATOM 608 C SER A 39 -10.868 -7.145 -6.222 1.00 0.00 C ATOM 609 O SER A 39 -10.280 -7.336 -7.268 1.00 0.00 O ATOM 610 CB SER A 39 -10.557 -8.786 -4.366 1.00 0.00 C ATOM 611 OG SER A 39 -10.623 -8.767 -2.946 1.00 0.00 O ATOM 0 H SER A 39 -11.100 -6.740 -3.058 1.00 0.00 H new ATOM 0 HA SER A 39 -9.107 -7.323 -4.993 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.516 -9.095 -4.782 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.817 -9.514 -4.697 1.00 0.00 H new ATOM 0 HG SER A 39 -10.861 -9.659 -2.618 1.00 0.00 H new ATOM 617 N GLU A 40 -12.102 -6.722 -6.207 1.00 0.00 N ATOM 618 CA GLU A 40 -12.817 -6.463 -7.488 1.00 0.00 C ATOM 619 C GLU A 40 -12.292 -5.168 -8.111 1.00 0.00 C ATOM 620 O GLU A 40 -11.819 -5.155 -9.230 1.00 0.00 O ATOM 621 CB GLU A 40 -14.317 -6.327 -7.217 1.00 0.00 C ATOM 622 CG GLU A 40 -15.100 -7.078 -8.295 1.00 0.00 C ATOM 623 CD GLU A 40 -16.566 -6.639 -8.261 1.00 0.00 C ATOM 624 OE1 GLU A 40 -16.897 -5.812 -7.428 1.00 0.00 O ATOM 625 OE2 GLU A 40 -17.332 -7.139 -9.067 1.00 0.00 O ATOM 0 H GLU A 40 -12.646 -6.545 -5.363 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.646 -7.293 -8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.557 -6.728 -6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -14.603 -5.275 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.672 -6.877 -9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -15.027 -8.153 -8.130 1.00 0.00 H new ATOM 632 N VAL A 41 -12.371 -4.079 -7.396 1.00 0.00 N ATOM 633 CA VAL A 41 -11.876 -2.788 -7.948 1.00 0.00 C ATOM 634 C VAL A 41 -10.555 -3.022 -8.684 1.00 0.00 C ATOM 635 O VAL A 41 -10.277 -2.404 -9.693 1.00 0.00 O ATOM 636 CB VAL A 41 -11.653 -1.796 -6.805 1.00 0.00 C ATOM 637 CG1 VAL A 41 -10.896 -0.574 -7.328 1.00 0.00 C ATOM 638 CG2 VAL A 41 -13.008 -1.353 -6.245 1.00 0.00 C ATOM 0 H VAL A 41 -12.757 -4.028 -6.453 1.00 0.00 H new ATOM 0 HA VAL A 41 -12.613 -2.383 -8.642 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.070 -2.274 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.738 0.132 -6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.932 -0.887 -7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.478 -0.095 -8.115 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -12.851 -0.646 -5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -13.589 -0.875 -7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.549 -2.222 -5.872 1.00 0.00 H new ATOM 648 N VAL A 42 -9.738 -3.911 -8.188 1.00 0.00 N ATOM 649 CA VAL A 42 -8.437 -4.186 -8.860 1.00 0.00 C ATOM 650 C VAL A 42 -8.521 -5.515 -9.612 1.00 0.00 C ATOM 651 O VAL A 42 -8.800 -6.548 -9.035 1.00 0.00 O ATOM 652 CB VAL A 42 -7.327 -4.263 -7.810 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.019 -4.690 -8.479 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.142 -2.887 -7.163 1.00 0.00 C ATOM 0 H VAL A 42 -9.916 -4.459 -7.346 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.216 -3.384 -9.565 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.599 -4.992 -7.047 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.228 -4.745 -7.731 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.149 -5.668 -8.941 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.746 -3.961 -9.242 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.351 -2.940 -6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.870 -2.159 -7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.073 -2.581 -6.686 1.00 0.00 H new ATOM 664 N GLU A 43 -8.285 -5.498 -10.894 1.00 0.00 N ATOM 665 CA GLU A 43 -8.352 -6.761 -11.682 1.00 0.00 C ATOM 666 C GLU A 43 -7.027 -7.514 -11.554 1.00 0.00 C ATOM 667 O GLU A 43 -6.976 -8.724 -11.669 1.00 0.00 O ATOM 668 CB GLU A 43 -8.611 -6.432 -13.153 1.00 0.00 C ATOM 669 CG GLU A 43 -9.741 -7.316 -13.684 1.00 0.00 C ATOM 670 CD GLU A 43 -9.685 -7.353 -15.212 1.00 0.00 C ATOM 671 OE1 GLU A 43 -8.798 -6.728 -15.768 1.00 0.00 O ATOM 672 OE2 GLU A 43 -10.531 -8.007 -15.800 1.00 0.00 O ATOM 0 H GLU A 43 -8.048 -4.664 -11.431 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.162 -7.383 -11.301 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.877 -5.380 -13.260 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.705 -6.592 -13.737 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.648 -8.325 -13.282 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.705 -6.929 -13.354 1.00 0.00 H new ATOM 679 N LEU A 44 -5.954 -6.812 -11.317 1.00 0.00 N ATOM 680 CA LEU A 44 -4.633 -7.490 -11.183 1.00 0.00 C ATOM 681 C LEU A 44 -3.949 -7.024 -9.896 1.00 0.00 C ATOM 682 O LEU A 44 -4.000 -5.865 -9.539 1.00 0.00 O ATOM 683 CB LEU A 44 -3.755 -7.137 -12.385 1.00 0.00 C ATOM 684 CG LEU A 44 -4.518 -7.423 -13.679 1.00 0.00 C ATOM 685 CD1 LEU A 44 -4.997 -6.107 -14.292 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.593 -8.138 -14.667 1.00 0.00 C ATOM 0 H LEU A 44 -5.934 -5.798 -11.210 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.780 -8.569 -11.145 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.470 -6.086 -12.344 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.833 -7.718 -12.358 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.378 -8.056 -13.461 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.541 -6.312 -15.214 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.655 -5.596 -13.589 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.137 -5.473 -14.511 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.135 -8.343 -15.590 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.733 -7.504 -14.884 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.251 -9.077 -14.231 1.00 0.00 H new ATOM 698 N PHE A 45 -3.306 -7.921 -9.199 1.00 0.00 N ATOM 699 CA PHE A 45 -2.617 -7.529 -7.937 1.00 0.00 C ATOM 700 C PHE A 45 -1.156 -7.190 -8.239 1.00 0.00 C ATOM 701 O PHE A 45 -0.246 -7.796 -7.710 1.00 0.00 O ATOM 702 CB PHE A 45 -2.676 -8.691 -6.942 1.00 0.00 C ATOM 703 CG PHE A 45 -3.927 -8.573 -6.104 1.00 0.00 C ATOM 704 CD1 PHE A 45 -5.165 -8.359 -6.720 1.00 0.00 C ATOM 705 CD2 PHE A 45 -3.846 -8.677 -4.710 1.00 0.00 C ATOM 706 CE1 PHE A 45 -6.324 -8.250 -5.943 1.00 0.00 C ATOM 707 CE2 PHE A 45 -5.005 -8.568 -3.933 1.00 0.00 C ATOM 708 CZ PHE A 45 -6.244 -8.354 -4.549 1.00 0.00 C ATOM 0 H PHE A 45 -3.228 -8.907 -9.449 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.111 -6.658 -7.508 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.671 -9.641 -7.476 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.794 -8.681 -6.302 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.226 -8.278 -7.795 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.890 -8.841 -4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.280 -8.086 -6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.944 -8.649 -2.858 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.138 -8.269 -3.949 1.00 0.00 H new ATOM 718 N GLU A 46 -0.924 -6.226 -9.087 1.00 0.00 N ATOM 719 CA GLU A 46 0.478 -5.849 -9.423 1.00 0.00 C ATOM 720 C GLU A 46 0.523 -4.381 -9.853 1.00 0.00 C ATOM 721 O GLU A 46 -0.488 -3.785 -10.166 1.00 0.00 O ATOM 722 CB GLU A 46 0.982 -6.732 -10.567 1.00 0.00 C ATOM 723 CG GLU A 46 2.507 -6.638 -10.651 1.00 0.00 C ATOM 724 CD GLU A 46 3.036 -7.728 -11.584 1.00 0.00 C ATOM 725 OE1 GLU A 46 2.272 -8.187 -12.418 1.00 0.00 O ATOM 726 OE2 GLU A 46 4.195 -8.085 -11.450 1.00 0.00 O ATOM 0 H GLU A 46 -1.645 -5.683 -9.562 1.00 0.00 H new ATOM 0 HA GLU A 46 1.112 -5.990 -8.548 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.679 -7.766 -10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.535 -6.415 -11.509 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.801 -5.655 -11.019 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.944 -6.751 -9.659 1.00 0.00 H new ATOM 733 N VAL A 47 1.688 -3.795 -9.872 1.00 0.00 N ATOM 734 CA VAL A 47 1.798 -2.367 -10.281 1.00 0.00 C ATOM 735 C VAL A 47 2.656 -2.263 -11.544 1.00 0.00 C ATOM 736 O VAL A 47 3.522 -3.081 -11.786 1.00 0.00 O ATOM 737 CB VAL A 47 2.448 -1.562 -9.155 1.00 0.00 C ATOM 738 CG1 VAL A 47 2.626 -0.109 -9.603 1.00 0.00 C ATOM 739 CG2 VAL A 47 1.552 -1.606 -7.915 1.00 0.00 C ATOM 0 H VAL A 47 2.569 -4.244 -9.622 1.00 0.00 H new ATOM 0 HA VAL A 47 0.803 -1.970 -10.484 1.00 0.00 H new ATOM 0 HB VAL A 47 3.421 -1.991 -8.917 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.089 0.465 -8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.263 -0.076 -10.487 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.653 0.320 -9.841 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.014 -1.033 -7.112 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.579 -1.177 -8.154 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.424 -2.640 -7.595 1.00 0.00 H new ATOM 749 N PHE A 48 2.423 -1.265 -12.351 1.00 0.00 N ATOM 750 CA PHE A 48 3.226 -1.110 -13.597 1.00 0.00 C ATOM 751 C PHE A 48 3.757 0.321 -13.688 1.00 0.00 C ATOM 752 O PHE A 48 3.135 1.256 -13.223 1.00 0.00 O ATOM 753 CB PHE A 48 2.344 -1.406 -14.811 1.00 0.00 C ATOM 754 CG PHE A 48 1.818 -2.818 -14.720 1.00 0.00 C ATOM 755 CD1 PHE A 48 2.711 -3.896 -14.681 1.00 0.00 C ATOM 756 CD2 PHE A 48 0.438 -3.050 -14.676 1.00 0.00 C ATOM 757 CE1 PHE A 48 2.223 -5.206 -14.596 1.00 0.00 C ATOM 758 CE2 PHE A 48 -0.049 -4.360 -14.591 1.00 0.00 C ATOM 759 CZ PHE A 48 0.843 -5.438 -14.552 1.00 0.00 C ATOM 0 H PHE A 48 1.711 -0.550 -12.202 1.00 0.00 H new ATOM 0 HA PHE A 48 4.064 -1.807 -13.578 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.515 -0.700 -14.852 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.917 -1.279 -15.730 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.776 -3.717 -14.716 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.251 -2.219 -14.708 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.911 -6.038 -14.564 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.114 -4.539 -14.556 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.467 -6.448 -14.488 1.00 0.00 H new ATOM 769 N THR A 49 4.904 0.501 -14.284 1.00 0.00 N ATOM 770 CA THR A 49 5.474 1.874 -14.405 1.00 0.00 C ATOM 771 C THR A 49 6.342 1.955 -15.662 1.00 0.00 C ATOM 772 O THR A 49 6.846 0.961 -16.146 1.00 0.00 O ATOM 773 CB THR A 49 6.329 2.180 -13.173 1.00 0.00 C ATOM 774 OG1 THR A 49 7.700 2.208 -13.546 1.00 0.00 O ATOM 775 CG2 THR A 49 6.107 1.100 -12.113 1.00 0.00 C ATOM 0 H THR A 49 5.471 -0.242 -14.692 1.00 0.00 H new ATOM 0 HA THR A 49 4.664 2.601 -14.475 1.00 0.00 H new ATOM 0 HB THR A 49 6.044 3.149 -12.764 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.249 2.405 -12.759 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.717 1.320 -11.237 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.055 1.081 -11.828 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.391 0.129 -12.518 1.00 0.00 H new ATOM 783 N PRO A 50 6.513 3.139 -16.184 1.00 0.00 N ATOM 784 CA PRO A 50 7.332 3.373 -17.407 1.00 0.00 C ATOM 785 C PRO A 50 8.833 3.227 -17.136 1.00 0.00 C ATOM 786 O PRO A 50 9.324 3.601 -16.090 1.00 0.00 O ATOM 787 CB PRO A 50 6.999 4.812 -17.802 1.00 0.00 C ATOM 788 CG PRO A 50 6.552 5.478 -16.542 1.00 0.00 C ATOM 789 CD PRO A 50 5.939 4.388 -15.660 1.00 0.00 C ATOM 0 HA PRO A 50 7.108 2.646 -18.187 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.869 5.315 -18.224 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.216 4.840 -18.560 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.392 5.956 -16.038 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.822 6.259 -16.755 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.194 4.534 -14.610 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.851 4.386 -15.727 1.00 0.00 H new ATOM 911 N LEU A 60 4.734 -1.561 -20.670 1.00 0.00 N ATOM 912 CA LEU A 60 5.316 -0.979 -19.428 1.00 0.00 C ATOM 913 C LEU A 60 6.158 -2.039 -18.714 1.00 0.00 C ATOM 914 O LEU A 60 6.160 -3.197 -19.084 1.00 0.00 O ATOM 915 CB LEU A 60 4.188 -0.516 -18.504 1.00 0.00 C ATOM 916 CG LEU A 60 3.095 0.160 -19.333 1.00 0.00 C ATOM 917 CD1 LEU A 60 1.894 0.470 -18.437 1.00 0.00 C ATOM 918 CD2 LEU A 60 3.637 1.463 -19.927 1.00 0.00 C ATOM 0 HA LEU A 60 5.946 -0.128 -19.686 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.775 -1.367 -17.962 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.576 0.178 -17.759 1.00 0.00 H new ATOM 0 HG LEU A 60 2.786 -0.506 -20.139 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.115 0.952 -19.027 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.507 -0.457 -18.013 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.203 1.136 -17.632 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.858 1.945 -20.518 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.946 2.129 -19.122 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.493 1.244 -20.565 1.00 0.00 H new ATOM 930 N GLY A 61 6.873 -1.654 -17.693 1.00 0.00 N ATOM 931 CA GLY A 61 7.713 -2.641 -16.957 1.00 0.00 C ATOM 932 C GLY A 61 7.257 -2.715 -15.499 1.00 0.00 C ATOM 933 O GLY A 61 7.010 -1.709 -14.863 1.00 0.00 O ATOM 0 H GLY A 61 6.912 -0.699 -17.337 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.633 -3.623 -17.424 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.762 -2.350 -17.006 1.00 0.00 H new ATOM 937 N ALA A 62 7.143 -3.900 -14.963 1.00 0.00 N ATOM 938 CA ALA A 62 6.704 -4.036 -13.545 1.00 0.00 C ATOM 939 C ALA A 62 7.593 -3.171 -12.650 1.00 0.00 C ATOM 940 O ALA A 62 8.700 -2.823 -13.008 1.00 0.00 O ATOM 941 CB ALA A 62 6.817 -5.501 -13.115 1.00 0.00 C ATOM 0 H ALA A 62 7.335 -4.778 -15.445 1.00 0.00 H new ATOM 0 HA ALA A 62 5.668 -3.709 -13.452 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.496 -5.602 -12.078 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.183 -6.117 -13.752 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.852 -5.829 -13.208 1.00 0.00 H new ATOM 947 N ALA A 63 7.116 -2.821 -11.487 1.00 0.00 N ATOM 948 CA ALA A 63 7.934 -1.979 -10.570 1.00 0.00 C ATOM 949 C ALA A 63 8.799 -2.879 -9.685 1.00 0.00 C ATOM 950 O ALA A 63 8.482 -4.029 -9.455 1.00 0.00 O ATOM 951 CB ALA A 63 7.009 -1.136 -9.689 1.00 0.00 C ATOM 0 H ALA A 63 6.196 -3.082 -11.133 1.00 0.00 H new ATOM 0 HA ALA A 63 8.575 -1.322 -11.157 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.608 -0.520 -9.018 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.393 -0.494 -10.318 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.367 -1.793 -9.102 1.00 0.00 H new ATOM 957 N SER A 64 9.891 -2.366 -9.188 1.00 0.00 N ATOM 958 CA SER A 64 10.775 -3.193 -8.319 1.00 0.00 C ATOM 959 C SER A 64 10.240 -3.178 -6.886 1.00 0.00 C ATOM 960 O SER A 64 9.708 -2.188 -6.423 1.00 0.00 O ATOM 961 CB SER A 64 12.192 -2.620 -8.341 1.00 0.00 C ATOM 962 OG SER A 64 12.230 -1.432 -7.560 1.00 0.00 O ATOM 0 H SER A 64 10.209 -1.410 -9.346 1.00 0.00 H new ATOM 0 HA SER A 64 10.792 -4.218 -8.689 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.898 -3.351 -7.947 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.494 -2.405 -9.366 1.00 0.00 H new ATOM 0 HG SER A 64 13.138 -1.063 -7.570 1.00 0.00 H new ATOM 968 N LYS A 65 10.378 -4.266 -6.180 1.00 0.00 N ATOM 969 CA LYS A 65 9.878 -4.313 -4.777 1.00 0.00 C ATOM 970 C LYS A 65 10.517 -3.180 -3.970 1.00 0.00 C ATOM 971 O LYS A 65 10.060 -2.834 -2.899 1.00 0.00 O ATOM 972 CB LYS A 65 10.248 -5.658 -4.148 1.00 0.00 C ATOM 973 CG LYS A 65 11.759 -5.871 -4.252 1.00 0.00 C ATOM 974 CD LYS A 65 12.053 -7.362 -4.430 1.00 0.00 C ATOM 975 CE LYS A 65 11.967 -7.725 -5.914 1.00 0.00 C ATOM 976 NZ LYS A 65 11.925 -9.208 -6.061 1.00 0.00 N ATOM 0 H LYS A 65 10.815 -5.125 -6.514 1.00 0.00 H new ATOM 0 HA LYS A 65 8.794 -4.196 -4.773 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.938 -5.681 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.720 -6.466 -4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.159 -5.307 -5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.252 -5.497 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.045 -7.597 -4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.340 -7.955 -3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.076 -7.280 -6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.826 -7.320 -6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.867 -9.455 -7.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.787 -9.622 -5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.092 -9.583 -5.564 1.00 0.00 H new ATOM 990 N ALA A 66 11.570 -2.599 -4.477 1.00 0.00 N ATOM 991 CA ALA A 66 12.236 -1.490 -3.737 1.00 0.00 C ATOM 992 C ALA A 66 11.584 -0.159 -4.117 1.00 0.00 C ATOM 993 O ALA A 66 11.435 0.726 -3.298 1.00 0.00 O ATOM 994 CB ALA A 66 13.721 -1.452 -4.104 1.00 0.00 C ATOM 0 H ALA A 66 11.997 -2.844 -5.370 1.00 0.00 H new ATOM 0 HA ALA A 66 12.130 -1.654 -2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.209 -0.641 -3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.187 -2.400 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.827 -1.288 -5.176 1.00 0.00 H new ATOM 1000 N GLN A 67 11.192 -0.011 -5.353 1.00 0.00 N ATOM 1001 CA GLN A 67 10.551 1.264 -5.782 1.00 0.00 C ATOM 1002 C GLN A 67 9.284 1.501 -4.958 1.00 0.00 C ATOM 1003 O GLN A 67 9.006 2.604 -4.531 1.00 0.00 O ATOM 1004 CB GLN A 67 10.184 1.175 -7.266 1.00 0.00 C ATOM 1005 CG GLN A 67 10.546 2.489 -7.961 1.00 0.00 C ATOM 1006 CD GLN A 67 9.924 2.518 -9.358 1.00 0.00 C ATOM 1007 OE1 GLN A 67 8.949 3.205 -9.588 1.00 0.00 O ATOM 1008 NE2 GLN A 67 10.449 1.794 -10.307 1.00 0.00 N ATOM 0 H GLN A 67 11.288 -0.717 -6.083 1.00 0.00 H new ATOM 0 HA GLN A 67 11.245 2.090 -5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.715 0.346 -7.734 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.118 0.974 -7.377 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.186 3.334 -7.374 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.629 2.588 -8.032 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.268 1.217 -10.115 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.041 1.805 -11.242 1.00 0.00 H new ATOM 1017 N VAL A 68 8.512 0.473 -4.729 1.00 0.00 N ATOM 1018 CA VAL A 68 7.265 0.641 -3.932 1.00 0.00 C ATOM 1019 C VAL A 68 7.617 0.738 -2.447 1.00 0.00 C ATOM 1020 O VAL A 68 7.125 1.594 -1.737 1.00 0.00 O ATOM 1021 CB VAL A 68 6.349 -0.563 -4.161 1.00 0.00 C ATOM 1022 CG1 VAL A 68 4.977 -0.286 -3.544 1.00 0.00 C ATOM 1023 CG2 VAL A 68 6.192 -0.804 -5.664 1.00 0.00 C ATOM 0 H VAL A 68 8.692 -0.475 -5.060 1.00 0.00 H new ATOM 0 HA VAL A 68 6.754 1.552 -4.244 1.00 0.00 H new ATOM 0 HB VAL A 68 6.786 -1.446 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.325 -1.144 -3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.088 -0.113 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.540 0.596 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.540 -1.662 -5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.755 0.079 -6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.169 -1.001 -6.105 1.00 0.00 H new ATOM 1033 N GLU A 69 8.465 -0.131 -1.970 1.00 0.00 N ATOM 1034 CA GLU A 69 8.847 -0.088 -0.530 1.00 0.00 C ATOM 1035 C GLU A 69 9.200 1.348 -0.137 1.00 0.00 C ATOM 1036 O GLU A 69 8.882 1.802 0.944 1.00 0.00 O ATOM 1037 CB GLU A 69 10.059 -0.993 -0.298 1.00 0.00 C ATOM 1038 CG GLU A 69 9.612 -2.273 0.411 1.00 0.00 C ATOM 1039 CD GLU A 69 10.785 -3.254 0.480 1.00 0.00 C ATOM 1040 OE1 GLU A 69 11.886 -2.810 0.759 1.00 0.00 O ATOM 1041 OE2 GLU A 69 10.562 -4.431 0.253 1.00 0.00 O ATOM 0 H GLU A 69 8.910 -0.869 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 69 8.011 -0.435 0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.531 -1.238 -1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.805 -0.473 0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.259 -2.041 1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.777 -2.725 -0.124 1.00 0.00 H new ATOM 1048 N ASN A 70 9.856 2.067 -1.006 1.00 0.00 N ATOM 1049 CA ASN A 70 10.229 3.473 -0.680 1.00 0.00 C ATOM 1050 C ASN A 70 9.011 4.380 -0.863 1.00 0.00 C ATOM 1051 O ASN A 70 8.944 5.464 -0.317 1.00 0.00 O ATOM 1052 CB ASN A 70 11.351 3.932 -1.613 1.00 0.00 C ATOM 1053 CG ASN A 70 11.984 5.210 -1.061 1.00 0.00 C ATOM 1054 OD1 ASN A 70 12.166 6.173 -1.780 1.00 0.00 O ATOM 1055 ND2 ASN A 70 12.330 5.262 0.196 1.00 0.00 N ATOM 0 H ASN A 70 10.150 1.742 -1.927 1.00 0.00 H new ATOM 0 HA ASN A 70 10.570 3.528 0.354 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.105 3.150 -1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.956 4.112 -2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.753 6.110 0.574 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.178 4.455 0.801 1.00 0.00 H new ATOM 1062 N GLU A 71 8.046 3.947 -1.627 1.00 0.00 N ATOM 1063 CA GLU A 71 6.834 4.786 -1.845 1.00 0.00 C ATOM 1064 C GLU A 71 5.944 4.731 -0.601 1.00 0.00 C ATOM 1065 O GLU A 71 5.251 5.676 -0.279 1.00 0.00 O ATOM 1066 CB GLU A 71 6.057 4.257 -3.052 1.00 0.00 C ATOM 1067 CG GLU A 71 5.238 5.392 -3.670 1.00 0.00 C ATOM 1068 CD GLU A 71 6.136 6.238 -4.571 1.00 0.00 C ATOM 1069 OE1 GLU A 71 6.836 7.089 -4.047 1.00 0.00 O ATOM 1070 OE2 GLU A 71 6.110 6.022 -5.772 1.00 0.00 O ATOM 0 H GLU A 71 8.044 3.048 -2.110 1.00 0.00 H new ATOM 0 HA GLU A 71 7.135 5.817 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.746 3.848 -3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.398 3.444 -2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.408 4.983 -4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.806 6.012 -2.885 1.00 0.00 H new ATOM 1077 N PHE A 72 5.956 3.630 0.101 1.00 0.00 N ATOM 1078 CA PHE A 72 5.110 3.517 1.322 1.00 0.00 C ATOM 1079 C PHE A 72 5.978 3.095 2.509 1.00 0.00 C ATOM 1080 O PHE A 72 5.603 3.256 3.653 1.00 0.00 O ATOM 1081 CB PHE A 72 4.018 2.470 1.090 1.00 0.00 C ATOM 1082 CG PHE A 72 2.927 3.063 0.233 1.00 0.00 C ATOM 1083 CD1 PHE A 72 1.960 3.897 0.808 1.00 0.00 C ATOM 1084 CD2 PHE A 72 2.881 2.779 -1.138 1.00 0.00 C ATOM 1085 CE1 PHE A 72 0.948 4.448 0.012 1.00 0.00 C ATOM 1086 CE2 PHE A 72 1.869 3.329 -1.933 1.00 0.00 C ATOM 1087 CZ PHE A 72 0.902 4.164 -1.358 1.00 0.00 C ATOM 0 H PHE A 72 6.515 2.805 -0.119 1.00 0.00 H new ATOM 0 HA PHE A 72 4.650 4.482 1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.440 1.591 0.603 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.607 2.140 2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.995 4.115 1.865 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.626 2.136 -1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.203 5.092 0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.833 3.110 -2.990 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.121 4.589 -1.972 1.00 0.00 H new ATOM 1097 N GLY A 73 7.138 2.556 2.247 1.00 0.00 N ATOM 1098 CA GLY A 73 8.027 2.125 3.362 1.00 0.00 C ATOM 1099 C GLY A 73 8.245 0.612 3.288 1.00 0.00 C ATOM 1100 O GLY A 73 8.180 0.017 2.231 1.00 0.00 O ATOM 0 H GLY A 73 7.508 2.396 1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.983 2.644 3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.581 2.392 4.320 1.00 0.00 H new ATOM 1104 N LYS A 74 8.503 -0.014 4.403 1.00 0.00 N ATOM 1105 CA LYS A 74 8.725 -1.488 4.396 1.00 0.00 C ATOM 1106 C LYS A 74 8.025 -2.116 5.603 1.00 0.00 C ATOM 1107 O LYS A 74 8.581 -2.198 6.680 1.00 0.00 O ATOM 1108 CB LYS A 74 10.225 -1.779 4.467 1.00 0.00 C ATOM 1109 CG LYS A 74 10.444 -3.253 4.808 1.00 0.00 C ATOM 1110 CD LYS A 74 11.745 -3.740 4.167 1.00 0.00 C ATOM 1111 CE LYS A 74 12.080 -5.139 4.687 1.00 0.00 C ATOM 1112 NZ LYS A 74 10.825 -5.931 4.825 1.00 0.00 N ATOM 0 H LYS A 74 8.570 0.431 5.318 1.00 0.00 H new ATOM 0 HA LYS A 74 8.316 -1.912 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.698 -1.541 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.693 -1.147 5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.488 -3.384 5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.605 -3.848 4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.643 -3.759 3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.557 -3.051 4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.765 -5.639 4.002 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.586 -5.069 5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.060 -6.939 4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.302 -5.609 5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.236 -5.799 3.978 1.00 0.00 H new ATOM 1126 N GLY A 75 6.810 -2.559 5.433 1.00 0.00 N ATOM 1127 CA GLY A 75 6.078 -3.182 6.572 1.00 0.00 C ATOM 1128 C GLY A 75 4.647 -3.511 6.141 1.00 0.00 C ATOM 1129 O GLY A 75 3.967 -4.302 6.766 1.00 0.00 O ATOM 0 H GLY A 75 6.292 -2.517 4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.590 -4.089 6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.065 -2.503 7.425 1.00 0.00 H new ATOM 1133 N LYS A 76 4.186 -2.911 5.078 1.00 0.00 N ATOM 1134 CA LYS A 76 2.799 -3.190 4.608 1.00 0.00 C ATOM 1135 C LYS A 76 2.836 -4.268 3.523 1.00 0.00 C ATOM 1136 O LYS A 76 3.882 -4.790 3.189 1.00 0.00 O ATOM 1137 CB LYS A 76 2.188 -1.910 4.036 1.00 0.00 C ATOM 1138 CG LYS A 76 2.846 -0.693 4.690 1.00 0.00 C ATOM 1139 CD LYS A 76 1.988 0.549 4.438 1.00 0.00 C ATOM 1140 CE LYS A 76 2.647 1.765 5.091 1.00 0.00 C ATOM 1141 NZ LYS A 76 1.642 2.855 5.240 1.00 0.00 N ATOM 0 H LYS A 76 4.709 -2.240 4.515 1.00 0.00 H new ATOM 0 HA LYS A 76 2.194 -3.538 5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.331 -1.877 2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.113 -1.896 4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.958 -0.859 5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.847 -0.545 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.875 0.715 3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.988 0.402 4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.051 1.493 6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.484 2.108 4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.090 3.682 5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.276 3.121 4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.857 2.524 5.837 1.00 0.00 H new ATOM 1155 N LYS A 77 1.703 -4.607 2.970 1.00 0.00 N ATOM 1156 CA LYS A 77 1.676 -5.652 1.909 1.00 0.00 C ATOM 1157 C LYS A 77 1.403 -4.995 0.554 1.00 0.00 C ATOM 1158 O LYS A 77 1.644 -3.820 0.363 1.00 0.00 O ATOM 1159 CB LYS A 77 0.572 -6.665 2.216 1.00 0.00 C ATOM 1160 CG LYS A 77 0.808 -7.274 3.600 1.00 0.00 C ATOM 1161 CD LYS A 77 0.223 -8.688 3.641 1.00 0.00 C ATOM 1162 CE LYS A 77 -0.430 -8.930 5.003 1.00 0.00 C ATOM 1163 NZ LYS A 77 0.583 -8.741 6.080 1.00 0.00 N ATOM 0 H LYS A 77 0.796 -4.205 3.207 1.00 0.00 H new ATOM 0 HA LYS A 77 2.638 -6.163 1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.403 -6.178 2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.562 -7.449 1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.875 -7.304 3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.343 -6.654 4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.512 -8.812 2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.008 -9.423 3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.262 -8.241 5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.840 -9.939 5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.231 -9.159 6.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.472 -9.207 5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.754 -7.725 6.221 1.00 0.00 H new ATOM 1177 N ILE A 78 0.898 -5.745 -0.387 1.00 0.00 N ATOM 1178 CA ILE A 78 0.609 -5.163 -1.728 1.00 0.00 C ATOM 1179 C ILE A 78 -0.810 -4.592 -1.741 1.00 0.00 C ATOM 1180 O ILE A 78 -1.096 -3.629 -2.424 1.00 0.00 O ATOM 1181 CB ILE A 78 0.730 -6.255 -2.794 1.00 0.00 C ATOM 1182 CG1 ILE A 78 0.445 -5.653 -4.172 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -0.282 -7.365 -2.505 1.00 0.00 C ATOM 1184 CD1 ILE A 78 1.629 -4.786 -4.605 1.00 0.00 C ATOM 0 H ILE A 78 0.673 -6.735 -0.285 1.00 0.00 H new ATOM 0 HA ILE A 78 1.322 -4.367 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 78 1.738 -6.669 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.277 -6.447 -4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.465 -5.054 -4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.196 -8.143 -3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.082 -7.793 -1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.290 -6.951 -2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.426 -4.357 -5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.776 -3.984 -3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.529 -5.399 -4.656 1.00 0.00 H new ATOM 1196 N GLU A 79 -1.702 -5.178 -0.990 1.00 0.00 N ATOM 1197 CA GLU A 79 -3.102 -4.667 -0.959 1.00 0.00 C ATOM 1198 C GLU A 79 -3.138 -3.324 -0.227 1.00 0.00 C ATOM 1199 O GLU A 79 -3.529 -2.316 -0.779 1.00 0.00 O ATOM 1200 CB GLU A 79 -3.996 -5.671 -0.228 1.00 0.00 C ATOM 1201 CG GLU A 79 -3.238 -6.987 -0.040 1.00 0.00 C ATOM 1202 CD GLU A 79 -4.201 -8.063 0.467 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -5.357 -7.740 0.684 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -3.765 -9.191 0.629 1.00 0.00 O ATOM 0 H GLU A 79 -1.522 -5.988 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.463 -4.535 -1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.295 -5.270 0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.909 -5.843 -0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.791 -7.299 -0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.422 -6.851 0.670 1.00 0.00 H new ATOM 1211 N GLU A 80 -2.734 -3.303 1.014 1.00 0.00 N ATOM 1212 CA GLU A 80 -2.745 -2.026 1.780 1.00 0.00 C ATOM 1213 C GLU A 80 -2.075 -0.928 0.951 1.00 0.00 C ATOM 1214 O GLU A 80 -2.421 0.233 1.045 1.00 0.00 O ATOM 1215 CB GLU A 80 -1.982 -2.212 3.093 1.00 0.00 C ATOM 1216 CG GLU A 80 -2.591 -3.376 3.877 1.00 0.00 C ATOM 1217 CD GLU A 80 -2.694 -2.997 5.356 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -3.708 -2.434 5.733 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -1.757 -3.276 6.085 1.00 0.00 O ATOM 0 H GLU A 80 -2.397 -4.116 1.530 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.775 -1.741 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.929 -2.408 2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.027 -1.298 3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.578 -3.617 3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.975 -4.268 3.761 1.00 0.00 H new ATOM 1226 N VAL A 81 -1.118 -1.285 0.139 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.426 -0.261 -0.694 1.00 0.00 C ATOM 1228 C VAL A 81 -1.396 0.276 -1.748 1.00 0.00 C ATOM 1229 O VAL A 81 -1.716 1.449 -1.772 1.00 0.00 O ATOM 1230 CB VAL A 81 0.778 -0.898 -1.390 1.00 0.00 C ATOM 1231 CG1 VAL A 81 1.171 -0.056 -2.604 1.00 0.00 C ATOM 1232 CG2 VAL A 81 1.956 -0.959 -0.412 1.00 0.00 C ATOM 0 H VAL A 81 -0.785 -2.241 0.016 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.088 0.557 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 81 0.519 -1.906 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.029 -0.510 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.333 -0.008 -3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.431 0.951 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.816 -1.413 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.214 0.050 -0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.678 -1.558 0.455 1.00 0.00 H new ATOM 1242 N ILE A 82 -1.868 -0.571 -2.622 1.00 0.00 N ATOM 1243 CA ILE A 82 -2.818 -0.108 -3.672 1.00 0.00 C ATOM 1244 C ILE A 82 -4.022 0.564 -3.011 1.00 0.00 C ATOM 1245 O ILE A 82 -4.723 1.345 -3.624 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.290 -1.308 -4.496 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.180 -1.730 -5.462 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -4.538 -0.921 -5.292 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -2.535 -3.079 -6.091 1.00 0.00 C ATOM 0 H ILE A 82 -1.636 -1.564 -2.654 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.318 0.607 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.527 -2.137 -3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.054 -0.976 -6.239 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.230 -1.803 -4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.875 -1.775 -5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.328 -0.619 -4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.301 -0.093 -5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.744 -3.379 -6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.639 -3.830 -5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.475 -2.990 -6.635 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.270 0.267 -1.765 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.430 0.889 -1.067 1.00 0.00 C ATOM 1263 C ASP A 83 -5.189 2.393 -0.920 1.00 0.00 C ATOM 1264 O ASP A 83 -5.986 3.203 -1.350 1.00 0.00 O ATOM 1265 CB ASP A 83 -5.588 0.261 0.319 1.00 0.00 C ATOM 1266 CG ASP A 83 -6.993 0.546 0.851 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -7.842 0.918 0.058 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -7.197 0.389 2.044 1.00 0.00 O ATOM 0 H ASP A 83 -3.719 -0.380 -1.200 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.337 0.720 -1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.420 -0.815 0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.840 0.666 1.001 1.00 0.00 H new ATOM 1273 N LEU A 84 -4.097 2.772 -0.314 1.00 0.00 N ATOM 1274 CA LEU A 84 -3.807 4.223 -0.140 1.00 0.00 C ATOM 1275 C LEU A 84 -3.740 4.898 -1.512 1.00 0.00 C ATOM 1276 O LEU A 84 -3.971 6.084 -1.643 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.469 4.393 0.580 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.518 3.673 1.928 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -1.150 3.057 2.228 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.877 4.675 3.027 1.00 0.00 C ATOM 0 H LEU A 84 -3.394 2.140 0.068 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.598 4.683 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.662 3.989 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.256 5.452 0.729 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.271 2.886 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.185 2.544 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.892 2.344 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.397 3.844 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.912 4.163 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.124 5.462 3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.851 5.115 2.814 1.00 0.00 H new ATOM 1292 N ILE A 85 -3.424 4.154 -2.535 1.00 0.00 N ATOM 1293 CA ILE A 85 -3.342 4.754 -3.896 1.00 0.00 C ATOM 1294 C ILE A 85 -4.747 5.122 -4.377 1.00 0.00 C ATOM 1295 O ILE A 85 -4.996 6.228 -4.812 1.00 0.00 O ATOM 1296 CB ILE A 85 -2.720 3.745 -4.863 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -1.259 3.504 -4.476 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -2.783 4.296 -6.289 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -0.651 2.449 -5.402 1.00 0.00 C ATOM 0 H ILE A 85 -3.219 3.156 -2.488 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.724 5.651 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.272 2.806 -4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.695 4.434 -4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.197 3.172 -3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.340 3.576 -6.977 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.823 4.470 -6.566 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.232 5.235 -6.341 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.389 2.278 -5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.209 1.517 -5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.700 2.799 -6.433 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.669 4.201 -4.304 1.00 0.00 N ATOM 1312 CA LEU A 86 -7.057 4.498 -4.757 1.00 0.00 C ATOM 1313 C LEU A 86 -7.731 5.433 -3.752 1.00 0.00 C ATOM 1314 O LEU A 86 -8.834 5.898 -3.965 1.00 0.00 O ATOM 1315 CB LEU A 86 -7.852 3.194 -4.852 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.495 2.472 -6.153 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -7.804 0.980 -6.011 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -8.320 3.055 -7.302 1.00 0.00 C ATOM 0 H LEU A 86 -5.521 3.256 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.026 4.977 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.629 2.556 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.921 3.404 -4.822 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.434 2.605 -6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.550 0.466 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.217 0.563 -5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.865 0.847 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.066 2.541 -8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.381 2.922 -7.092 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.101 4.118 -7.404 1.00 0.00 H new ATOM 1330 N ARG A 87 -7.079 5.715 -2.657 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.684 6.620 -1.640 1.00 0.00 C ATOM 1332 C ARG A 87 -7.180 8.048 -1.863 1.00 0.00 C ATOM 1333 O ARG A 87 -7.897 9.007 -1.660 1.00 0.00 O ATOM 1334 CB ARG A 87 -7.286 6.151 -0.239 1.00 0.00 C ATOM 1335 CG ARG A 87 -8.378 6.538 0.760 1.00 0.00 C ATOM 1336 CD ARG A 87 -8.370 8.053 0.966 1.00 0.00 C ATOM 1337 NE ARG A 87 -8.674 8.361 2.391 1.00 0.00 N ATOM 1338 CZ ARG A 87 -8.435 9.553 2.867 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -7.930 10.475 2.093 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -8.702 9.823 4.116 1.00 0.00 N ATOM 0 H ARG A 87 -6.153 5.357 -2.423 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.770 6.599 -1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.140 5.071 -0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.337 6.602 0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.352 6.216 0.392 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.212 6.031 1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.397 8.463 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.108 8.523 0.316 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.069 7.640 2.995 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.722 10.264 1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.743 11.406 2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.097 9.103 4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.515 10.754 4.488 1.00 0.00 H new ATOM 1354 N ASN A 88 -5.952 8.196 -2.279 1.00 0.00 N ATOM 1355 CA ASN A 88 -5.405 9.562 -2.513 1.00 0.00 C ATOM 1356 C ASN A 88 -4.515 9.549 -3.758 1.00 0.00 C ATOM 1357 O ASN A 88 -3.455 10.141 -3.781 1.00 0.00 O ATOM 1358 CB ASN A 88 -4.579 9.995 -1.300 1.00 0.00 C ATOM 1359 CG ASN A 88 -3.813 8.792 -0.748 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -4.207 8.210 0.245 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -2.728 8.390 -1.351 1.00 0.00 N ATOM 0 H ASN A 88 -5.304 7.431 -2.467 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.227 10.262 -2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.882 10.784 -1.584 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.232 10.408 -0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.211 7.588 -0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.397 8.877 -2.184 1.00 0.00 H new ATOM 1368 N GLY A 89 -4.939 8.878 -4.794 1.00 0.00 N ATOM 1369 CA GLY A 89 -4.116 8.829 -6.036 1.00 0.00 C ATOM 1370 C GLY A 89 -4.739 9.738 -7.097 1.00 0.00 C ATOM 1371 O GLY A 89 -5.107 10.864 -6.826 1.00 0.00 O ATOM 0 H GLY A 89 -5.818 8.362 -4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.096 9.148 -5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.059 7.806 -6.407 1.00 0.00 H new ATOM 1375 N LYS A 90 -4.861 9.259 -8.304 1.00 0.00 N ATOM 1376 CA LYS A 90 -5.460 10.096 -9.382 1.00 0.00 C ATOM 1377 C LYS A 90 -5.038 11.554 -9.188 1.00 0.00 C ATOM 1378 O LYS A 90 -5.814 12.383 -8.756 1.00 0.00 O ATOM 1379 CB LYS A 90 -6.985 9.995 -9.316 1.00 0.00 C ATOM 1380 CG LYS A 90 -7.595 10.670 -10.546 1.00 0.00 C ATOM 1381 CD LYS A 90 -9.022 10.160 -10.754 1.00 0.00 C ATOM 1382 CE LYS A 90 -9.603 10.775 -12.028 1.00 0.00 C ATOM 1383 NZ LYS A 90 -9.207 12.209 -12.114 1.00 0.00 N ATOM 0 H LYS A 90 -4.572 8.324 -8.591 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.113 9.742 -10.353 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.289 8.949 -9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.353 10.471 -8.407 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.600 11.752 -10.415 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.990 10.458 -11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.024 9.073 -10.829 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.642 10.421 -9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.242 10.234 -12.903 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.689 10.686 -12.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.880 12.719 -12.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.213 12.628 -11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.252 12.282 -12.519 1.00 0.00 H new