USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 262 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 Single : A 1 GLU N :NH3+ 167:sc= 0.00692 (180deg=0.00243) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 160:sc= -2.35 (180deg=-2.96!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -133:sc= -0.0461 (180deg=-0.708) USER MOD Single : A 11 ASN : amide:sc= -0.206 K(o=-0.21,f=-3.3!) USER MOD Single : A 12 SER OG : rot 79:sc= 1.14 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.416 F(o=-2.1,f=-0.42) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 33:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -8.400 5.245 -3.987 1.00 0.00 N ATOM 2 CA GLU A 1 -8.536 5.893 -2.651 1.00 0.00 C ATOM 3 C GLU A 1 -7.240 5.753 -1.859 1.00 0.00 C ATOM 4 O GLU A 1 -6.186 5.487 -2.401 1.00 0.00 O ATOM 5 CB GLU A 1 -9.661 5.137 -1.947 1.00 0.00 C ATOM 6 CG GLU A 1 -10.738 6.124 -1.494 1.00 0.00 C ATOM 7 CD GLU A 1 -11.950 5.354 -0.965 1.00 0.00 C ATOM 8 OE1 GLU A 1 -11.861 4.141 -0.874 1.00 0.00 O ATOM 9 OE2 GLU A 1 -12.944 5.991 -0.660 1.00 0.00 O ATOM 0 H1 GLU A 1 -9.339 5.151 -4.425 1.00 0.00 H new ATOM 0 H2 GLU A 1 -7.791 5.828 -4.595 1.00 0.00 H new ATOM 0 H3 GLU A 1 -7.975 4.302 -3.874 1.00 0.00 H new ATOM 0 HA GLU A 1 -8.749 6.958 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -10.092 4.397 -2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -9.266 4.595 -1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -10.342 6.778 -0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -11.035 6.762 -2.327 1.00 0.00 H new ATOM 18 N CYS A 2 -7.324 5.928 -0.576 1.00 0.00 N ATOM 19 CA CYS A 2 -6.112 5.806 0.282 1.00 0.00 C ATOM 20 C CYS A 2 -6.329 4.704 1.323 1.00 0.00 C ATOM 21 O CYS A 2 -6.808 4.951 2.412 1.00 0.00 O ATOM 22 CB CYS A 2 -5.970 7.172 0.956 1.00 0.00 C ATOM 23 SG CYS A 2 -4.259 7.414 1.488 1.00 0.00 S ATOM 0 H CYS A 2 -8.185 6.152 -0.077 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.218 5.541 -0.283 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -6.261 7.962 0.264 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -6.640 7.237 1.813 1.00 0.00 H new ATOM 28 N GLY A 3 -5.984 3.488 0.994 1.00 0.00 N ATOM 29 CA GLY A 3 -6.176 2.371 1.961 1.00 0.00 C ATOM 30 C GLY A 3 -4.997 2.322 2.933 1.00 0.00 C ATOM 31 O GLY A 3 -3.882 2.664 2.593 1.00 0.00 O ATOM 0 H GLY A 3 -5.578 3.221 0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.107 2.509 2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -6.259 1.425 1.426 1.00 0.00 H new ATOM 35 N LYS A 4 -5.237 1.898 4.144 1.00 0.00 N ATOM 36 CA LYS A 4 -4.136 1.826 5.146 1.00 0.00 C ATOM 37 C LYS A 4 -3.322 0.542 4.947 1.00 0.00 C ATOM 38 O LYS A 4 -3.788 -0.414 4.360 1.00 0.00 O ATOM 39 CB LYS A 4 -4.843 1.809 6.504 1.00 0.00 C ATOM 40 CG LYS A 4 -3.808 1.935 7.624 1.00 0.00 C ATOM 41 CD LYS A 4 -2.948 3.177 7.388 1.00 0.00 C ATOM 42 CE LYS A 4 -2.152 3.501 8.655 1.00 0.00 C ATOM 43 NZ LYS A 4 -2.199 4.985 8.766 1.00 0.00 N ATOM 0 H LYS A 4 -6.151 1.598 4.483 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.439 2.659 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.559 2.629 6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.408 0.884 6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.309 2.005 8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.179 1.045 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.268 3.007 6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.580 4.023 7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.592 3.025 9.531 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.125 3.142 8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.674 5.287 9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.767 5.410 7.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.188 5.296 8.843 1.00 0.00 H new ATOM 57 N PHE A 5 -2.107 0.514 5.428 1.00 0.00 N ATOM 58 CA PHE A 5 -1.267 -0.705 5.260 1.00 0.00 C ATOM 59 C PHE A 5 -2.083 -1.962 5.562 1.00 0.00 C ATOM 60 O PHE A 5 -3.023 -1.935 6.330 1.00 0.00 O ATOM 61 CB PHE A 5 -0.130 -0.558 6.272 1.00 0.00 C ATOM 62 CG PHE A 5 0.789 -1.760 6.186 1.00 0.00 C ATOM 63 CD1 PHE A 5 1.413 -2.085 4.974 1.00 0.00 C ATOM 64 CD2 PHE A 5 1.026 -2.546 7.323 1.00 0.00 C ATOM 65 CE1 PHE A 5 2.268 -3.192 4.901 1.00 0.00 C ATOM 66 CE2 PHE A 5 1.883 -3.650 7.245 1.00 0.00 C ATOM 67 CZ PHE A 5 2.503 -3.972 6.035 1.00 0.00 C ATOM 0 H PHE A 5 -1.662 1.283 5.929 1.00 0.00 H new ATOM 0 HA PHE A 5 -0.895 -0.802 4.240 1.00 0.00 H new ATOM 0 HB2 PHE A 5 0.431 0.355 6.073 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -0.536 -0.470 7.280 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.235 -1.482 4.096 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.547 -2.299 8.259 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.746 -3.443 3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.065 -4.254 8.122 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.164 -4.824 5.977 1.00 0.00 H new ATOM 77 N MET A 6 -1.718 -3.059 4.962 1.00 0.00 N ATOM 78 CA MET A 6 -2.442 -4.342 5.195 1.00 0.00 C ATOM 79 C MET A 6 -3.808 -4.337 4.505 1.00 0.00 C ATOM 80 O MET A 6 -4.532 -5.312 4.544 1.00 0.00 O ATOM 81 CB MET A 6 -2.614 -4.467 6.713 1.00 0.00 C ATOM 82 CG MET A 6 -1.323 -4.053 7.421 1.00 0.00 C ATOM 83 SD MET A 6 -1.296 -4.752 9.090 1.00 0.00 S ATOM 84 CE MET A 6 -0.483 -6.315 8.674 1.00 0.00 C ATOM 0 H MET A 6 -0.937 -3.123 4.310 1.00 0.00 H new ATOM 0 HA MET A 6 -1.884 -5.183 4.783 1.00 0.00 H new ATOM 0 HB2 MET A 6 -3.439 -3.838 7.047 1.00 0.00 H new ATOM 0 HB3 MET A 6 -2.869 -5.494 6.975 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.458 -4.401 6.856 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.255 -2.966 7.470 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.048 -6.749 9.574 1.00 0.00 H new ATOM 0 HE2 MET A 6 -1.215 -7.006 8.255 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.304 -6.132 7.942 1.00 0.00 H new ATOM 94 N TRP A 7 -4.174 -3.255 3.879 1.00 0.00 N ATOM 95 CA TRP A 7 -5.498 -3.211 3.201 1.00 0.00 C ATOM 96 C TRP A 7 -5.517 -4.141 1.984 1.00 0.00 C ATOM 97 O TRP A 7 -4.641 -4.095 1.139 1.00 0.00 O ATOM 98 CB TRP A 7 -5.681 -1.758 2.760 1.00 0.00 C ATOM 99 CG TRP A 7 -6.483 -1.029 3.783 1.00 0.00 C ATOM 100 CD1 TRP A 7 -6.321 -1.128 5.121 1.00 0.00 C ATOM 101 CD2 TRP A 7 -7.569 -0.090 3.570 1.00 0.00 C ATOM 102 NE1 TRP A 7 -7.253 -0.311 5.741 1.00 0.00 N ATOM 103 CE2 TRP A 7 -8.040 0.348 4.825 1.00 0.00 C ATOM 104 CE3 TRP A 7 -8.183 0.415 2.415 1.00 0.00 C ATOM 105 CZ2 TRP A 7 -9.086 1.253 4.938 1.00 0.00 C ATOM 106 CZ3 TRP A 7 -9.243 1.333 2.520 1.00 0.00 C ATOM 107 CH2 TRP A 7 -9.693 1.752 3.782 1.00 0.00 C ATOM 0 H TRP A 7 -3.617 -2.403 3.807 1.00 0.00 H new ATOM 0 HA TRP A 7 -6.298 -3.542 3.863 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -4.710 -1.279 2.634 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -6.183 -1.720 1.793 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -5.588 -1.741 5.623 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -7.344 -0.211 6.752 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.841 0.098 1.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -9.429 1.569 5.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -9.713 1.717 1.627 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -10.506 2.458 3.860 1.00 0.00 H new ATOM 118 N LYS A 8 -6.521 -4.975 1.888 1.00 0.00 N ATOM 119 CA LYS A 8 -6.623 -5.902 0.724 1.00 0.00 C ATOM 120 C LYS A 8 -6.957 -5.095 -0.534 1.00 0.00 C ATOM 121 O LYS A 8 -7.834 -4.255 -0.526 1.00 0.00 O ATOM 122 CB LYS A 8 -7.764 -6.857 1.076 1.00 0.00 C ATOM 123 CG LYS A 8 -7.269 -7.893 2.089 1.00 0.00 C ATOM 124 CD LYS A 8 -7.748 -7.509 3.490 1.00 0.00 C ATOM 125 CE LYS A 8 -8.031 -8.776 4.301 1.00 0.00 C ATOM 126 NZ LYS A 8 -8.232 -8.301 5.698 1.00 0.00 N ATOM 0 H LYS A 8 -7.276 -5.053 2.569 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.697 -6.443 0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.604 -6.300 1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.125 -7.356 0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.642 -8.882 1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.181 -7.946 2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.991 -6.906 3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.649 -6.899 3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.915 -9.294 3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.200 -9.479 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.431 -9.114 6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.372 -7.818 6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.034 -7.639 5.728 1.00 0.00 H new ATOM 140 N CYS A 9 -6.247 -5.320 -1.601 1.00 0.00 N ATOM 141 CA CYS A 9 -6.499 -4.540 -2.843 1.00 0.00 C ATOM 142 C CYS A 9 -6.367 -5.429 -4.080 1.00 0.00 C ATOM 143 O CYS A 9 -6.327 -6.640 -3.992 1.00 0.00 O ATOM 144 CB CYS A 9 -5.417 -3.454 -2.854 1.00 0.00 C ATOM 145 SG CYS A 9 -3.905 -4.051 -2.045 1.00 0.00 S ATOM 0 H CYS A 9 -5.501 -6.012 -1.668 1.00 0.00 H new ATOM 0 HA CYS A 9 -7.506 -4.124 -2.862 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -5.196 -3.163 -3.881 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -5.782 -2.564 -2.342 1.00 0.00 H new ATOM 150 N LYS A 10 -6.301 -4.829 -5.238 1.00 0.00 N ATOM 151 CA LYS A 10 -6.175 -5.629 -6.489 1.00 0.00 C ATOM 152 C LYS A 10 -4.783 -5.461 -7.103 1.00 0.00 C ATOM 153 O LYS A 10 -4.190 -6.406 -7.584 1.00 0.00 O ATOM 154 CB LYS A 10 -7.242 -5.066 -7.430 1.00 0.00 C ATOM 155 CG LYS A 10 -6.782 -3.713 -7.983 1.00 0.00 C ATOM 156 CD LYS A 10 -7.915 -3.081 -8.794 1.00 0.00 C ATOM 157 CE LYS A 10 -7.779 -3.482 -10.265 1.00 0.00 C ATOM 158 NZ LYS A 10 -8.690 -4.647 -10.435 1.00 0.00 N ATOM 0 H LYS A 10 -6.329 -3.818 -5.371 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.309 -6.695 -6.303 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.422 -5.762 -8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.186 -4.950 -6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.494 -3.053 -7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.901 -3.845 -8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.880 -3.407 -8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.883 -1.996 -8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.061 -2.662 -10.925 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.750 -3.747 -10.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.194 -5.403 -10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.983 -4.998 -9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.530 -4.355 -10.974 1.00 0.00 H new ATOM 172 N ASN A 11 -4.261 -4.266 -7.101 1.00 0.00 N ATOM 173 CA ASN A 11 -2.911 -4.048 -7.699 1.00 0.00 C ATOM 174 C ASN A 11 -2.283 -2.755 -7.175 1.00 0.00 C ATOM 175 O ASN A 11 -1.106 -2.704 -6.875 1.00 0.00 O ATOM 176 CB ASN A 11 -3.160 -3.942 -9.204 1.00 0.00 C ATOM 177 CG ASN A 11 -1.983 -4.561 -9.962 1.00 0.00 C ATOM 178 OD1 ASN A 11 -1.122 -5.182 -9.370 1.00 0.00 O ATOM 179 ND2 ASN A 11 -1.907 -4.418 -11.258 1.00 0.00 N ATOM 0 H ASN A 11 -4.707 -3.434 -6.714 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.222 -4.854 -7.446 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.085 -4.454 -9.467 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.282 -2.897 -9.490 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.126 -4.827 -11.771 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.628 -3.897 -11.757 1.00 0.00 H new ATOM 186 N SER A 12 -3.051 -1.708 -7.072 1.00 0.00 N ATOM 187 CA SER A 12 -2.488 -0.424 -6.573 1.00 0.00 C ATOM 188 C SER A 12 -3.499 0.718 -6.716 1.00 0.00 C ATOM 189 O SER A 12 -3.129 1.865 -6.870 1.00 0.00 O ATOM 190 CB SER A 12 -1.271 -0.164 -7.456 1.00 0.00 C ATOM 191 OG SER A 12 -0.088 -0.436 -6.718 1.00 0.00 O ATOM 0 H SER A 12 -4.042 -1.685 -7.311 1.00 0.00 H new ATOM 0 HA SER A 12 -2.235 -0.480 -5.514 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.311 -0.793 -8.345 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.270 0.871 -7.798 1.00 0.00 H new ATOM 0 HG SER A 12 0.063 -1.404 -6.687 1.00 0.00 H new ATOM 197 N ASN A 13 -4.769 0.426 -6.663 1.00 0.00 N ATOM 198 CA ASN A 13 -5.780 1.514 -6.792 1.00 0.00 C ATOM 199 C ASN A 13 -6.437 1.788 -5.431 1.00 0.00 C ATOM 200 O ASN A 13 -7.376 2.552 -5.328 1.00 0.00 O ATOM 201 CB ASN A 13 -6.796 0.991 -7.823 1.00 0.00 C ATOM 202 CG ASN A 13 -7.937 0.242 -7.125 1.00 0.00 C ATOM 203 OD1 ASN A 13 -7.698 -0.910 -6.559 1.00 0.00 O flip ATOM 204 ND2 ASN A 13 -9.058 0.712 -7.095 1.00 0.00 N flip ATOM 0 H ASN A 13 -5.149 -0.512 -6.537 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.345 2.460 -7.113 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.199 1.824 -8.399 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.297 0.328 -8.529 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.246 1.612 -7.537 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.811 0.206 -6.628 1.00 0.00 H new ATOM 211 N ASP A 14 -5.950 1.165 -4.392 1.00 0.00 N ATOM 212 CA ASP A 14 -6.546 1.385 -3.041 1.00 0.00 C ATOM 213 C ASP A 14 -5.444 1.631 -2.003 1.00 0.00 C ATOM 214 O ASP A 14 -5.716 1.866 -0.843 1.00 0.00 O ATOM 215 CB ASP A 14 -7.293 0.087 -2.726 1.00 0.00 C ATOM 216 CG ASP A 14 -8.489 0.388 -1.821 1.00 0.00 C ATOM 217 OD1 ASP A 14 -8.991 1.499 -1.882 1.00 0.00 O ATOM 218 OD2 ASP A 14 -8.884 -0.498 -1.082 1.00 0.00 O ATOM 0 H ASP A 14 -5.166 0.513 -4.419 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.202 2.255 -3.018 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.632 -0.382 -3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.623 -0.620 -2.237 1.00 0.00 H new ATOM 223 N CYS A 15 -4.203 1.571 -2.407 1.00 0.00 N ATOM 224 CA CYS A 15 -3.094 1.794 -1.437 1.00 0.00 C ATOM 225 C CYS A 15 -2.889 3.290 -1.183 1.00 0.00 C ATOM 226 O CYS A 15 -2.992 4.104 -2.078 1.00 0.00 O ATOM 227 CB CYS A 15 -1.868 1.193 -2.117 1.00 0.00 C ATOM 228 SG CYS A 15 -2.215 -0.530 -2.540 1.00 0.00 S ATOM 0 H CYS A 15 -3.911 1.378 -3.365 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.296 1.342 -0.466 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.621 1.759 -3.015 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.004 1.252 -1.455 1.00 0.00 H new ATOM 233 N CYS A 16 -2.596 3.655 0.037 1.00 0.00 N ATOM 234 CA CYS A 16 -2.380 5.096 0.358 1.00 0.00 C ATOM 235 C CYS A 16 -1.071 5.591 -0.263 1.00 0.00 C ATOM 236 O CYS A 16 -0.238 4.813 -0.682 1.00 0.00 O ATOM 237 CB CYS A 16 -2.288 5.154 1.882 1.00 0.00 C ATOM 238 SG CYS A 16 -3.847 5.760 2.569 1.00 0.00 S ATOM 0 H CYS A 16 -2.497 3.016 0.826 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.180 5.724 -0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.066 4.164 2.280 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.470 5.809 2.181 1.00 0.00 H new ATOM 243 N LYS A 17 -0.876 6.879 -0.318 1.00 0.00 N ATOM 244 CA LYS A 17 0.384 7.410 -0.900 1.00 0.00 C ATOM 245 C LYS A 17 1.572 6.612 -0.361 1.00 0.00 C ATOM 246 O LYS A 17 1.519 6.060 0.720 1.00 0.00 O ATOM 247 CB LYS A 17 0.455 8.865 -0.435 1.00 0.00 C ATOM 248 CG LYS A 17 1.676 9.541 -1.063 1.00 0.00 C ATOM 249 CD LYS A 17 1.408 11.040 -1.220 1.00 0.00 C ATOM 250 CE LYS A 17 0.415 11.264 -2.364 1.00 0.00 C ATOM 251 NZ LYS A 17 0.612 12.684 -2.772 1.00 0.00 N ATOM 0 H LYS A 17 -1.534 7.584 0.014 1.00 0.00 H new ATOM 0 HA LYS A 17 0.410 7.335 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.454 9.394 -0.720 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.521 8.908 0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.554 9.382 -0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.891 9.096 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.008 11.448 -0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.340 11.567 -1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.609 10.584 -3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.610 11.085 -2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.035 12.914 -3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.414 13.308 -1.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.594 12.823 -3.084 1.00 0.00 H new ATOM 265 N ASP A 18 2.640 6.534 -1.103 1.00 0.00 N ATOM 266 CA ASP A 18 3.816 5.758 -0.621 1.00 0.00 C ATOM 267 C ASP A 18 3.384 4.329 -0.291 1.00 0.00 C ATOM 268 O ASP A 18 3.971 3.667 0.541 1.00 0.00 O ATOM 269 CB ASP A 18 4.282 6.480 0.642 1.00 0.00 C ATOM 270 CG ASP A 18 5.385 7.475 0.282 1.00 0.00 C ATOM 271 OD1 ASP A 18 5.094 8.418 -0.435 1.00 0.00 O ATOM 272 OD2 ASP A 18 6.503 7.277 0.729 1.00 0.00 O ATOM 0 H ASP A 18 2.750 6.971 -2.018 1.00 0.00 H new ATOM 0 HA ASP A 18 4.610 5.697 -1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.445 7.001 1.106 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.652 5.759 1.371 1.00 0.00 H new ATOM 277 N LEU A 19 2.355 3.851 -0.936 1.00 0.00 N ATOM 278 CA LEU A 19 1.882 2.465 -0.661 1.00 0.00 C ATOM 279 C LEU A 19 1.464 1.781 -1.961 1.00 0.00 C ATOM 280 O LEU A 19 0.883 2.389 -2.837 1.00 0.00 O ATOM 281 CB LEU A 19 0.678 2.624 0.273 1.00 0.00 C ATOM 282 CG LEU A 19 0.543 1.380 1.151 1.00 0.00 C ATOM 283 CD1 LEU A 19 1.709 1.323 2.133 1.00 0.00 C ATOM 284 CD2 LEU A 19 -0.765 1.443 1.935 1.00 0.00 C ATOM 0 H LEU A 19 1.822 4.360 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 19 2.662 1.849 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.803 3.510 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.231 2.770 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 19 0.548 0.492 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.614 0.436 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.648 1.278 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.700 2.214 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.858 0.555 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.769 2.332 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.604 1.487 1.240 1.00 0.00 H new ATOM 296 N VAL A 20 1.755 0.517 -2.090 1.00 0.00 N ATOM 297 CA VAL A 20 1.371 -0.213 -3.330 1.00 0.00 C ATOM 298 C VAL A 20 0.909 -1.627 -2.975 1.00 0.00 C ATOM 299 O VAL A 20 1.477 -2.282 -2.124 1.00 0.00 O ATOM 300 CB VAL A 20 2.638 -0.255 -4.185 1.00 0.00 C ATOM 301 CG1 VAL A 20 3.005 1.162 -4.628 1.00 0.00 C ATOM 302 CG2 VAL A 20 3.787 -0.846 -3.365 1.00 0.00 C ATOM 0 H VAL A 20 2.242 -0.042 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 20 0.550 0.271 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 20 2.461 -0.875 -5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.908 1.130 -5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.187 1.584 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.181 1.784 -3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.691 -0.876 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.963 -0.226 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.527 -1.857 -3.051 1.00 0.00 H new ATOM 312 N CYS A 21 -0.121 -2.099 -3.616 1.00 0.00 N ATOM 313 CA CYS A 21 -0.628 -3.466 -3.311 1.00 0.00 C ATOM 314 C CYS A 21 0.427 -4.518 -3.664 1.00 0.00 C ATOM 315 O CYS A 21 1.123 -4.401 -4.655 1.00 0.00 O ATOM 316 CB CYS A 21 -1.868 -3.625 -4.187 1.00 0.00 C ATOM 317 SG CYS A 21 -2.891 -4.956 -3.530 1.00 0.00 S ATOM 0 H CYS A 21 -0.636 -1.597 -4.340 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.856 -3.599 -2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.433 -2.693 -4.210 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.577 -3.847 -5.214 1.00 0.00 H new ATOM 322 N SER A 22 0.562 -5.542 -2.860 1.00 0.00 N ATOM 323 CA SER A 22 1.585 -6.585 -3.163 1.00 0.00 C ATOM 324 C SER A 22 1.049 -7.986 -2.857 1.00 0.00 C ATOM 325 O SER A 22 0.619 -8.272 -1.754 1.00 0.00 O ATOM 326 CB SER A 22 2.766 -6.258 -2.251 1.00 0.00 C ATOM 327 OG SER A 22 3.785 -5.623 -3.012 1.00 0.00 O ATOM 0 H SER A 22 0.013 -5.699 -2.015 1.00 0.00 H new ATOM 0 HA SER A 22 1.862 -6.583 -4.217 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.444 -5.607 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.151 -7.170 -1.795 1.00 0.00 H new ATOM 0 HG SER A 22 3.376 -5.079 -3.717 1.00 0.00 H new ATOM 333 N SER A 23 1.085 -8.862 -3.828 1.00 0.00 N ATOM 334 CA SER A 23 0.600 -10.248 -3.608 1.00 0.00 C ATOM 335 C SER A 23 1.528 -10.959 -2.623 1.00 0.00 C ATOM 336 O SER A 23 1.181 -11.966 -2.036 1.00 0.00 O ATOM 337 CB SER A 23 0.656 -10.914 -4.982 1.00 0.00 C ATOM 338 OG SER A 23 -0.569 -11.592 -5.227 1.00 0.00 O ATOM 0 H SER A 23 1.432 -8.671 -4.768 1.00 0.00 H new ATOM 0 HA SER A 23 -0.406 -10.282 -3.190 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.831 -10.165 -5.755 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.488 -11.617 -5.024 1.00 0.00 H new ATOM 0 HG SER A 23 -0.536 -12.019 -6.109 1.00 0.00 H new ATOM 344 N ARG A 24 2.706 -10.429 -2.432 1.00 0.00 N ATOM 345 CA ARG A 24 3.666 -11.051 -1.477 1.00 0.00 C ATOM 346 C ARG A 24 3.270 -10.665 -0.060 1.00 0.00 C ATOM 347 O ARG A 24 3.077 -11.499 0.802 1.00 0.00 O ATOM 348 CB ARG A 24 5.021 -10.438 -1.826 1.00 0.00 C ATOM 349 CG ARG A 24 6.089 -10.983 -0.875 1.00 0.00 C ATOM 350 CD ARG A 24 7.115 -11.800 -1.666 1.00 0.00 C ATOM 351 NE ARG A 24 8.192 -12.111 -0.685 1.00 0.00 N ATOM 352 CZ ARG A 24 9.313 -12.643 -1.090 1.00 0.00 C ATOM 353 NH1 ARG A 24 9.394 -13.932 -1.275 1.00 0.00 N ATOM 354 NH2 ARG A 24 10.355 -11.887 -1.305 1.00 0.00 N ATOM 0 H ARG A 24 3.046 -9.588 -2.899 1.00 0.00 H new ATOM 0 HA ARG A 24 3.684 -12.139 -1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.283 -10.673 -2.857 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.971 -9.352 -1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.584 -10.160 -0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.625 -11.606 -0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.671 -12.711 -2.068 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.503 -11.234 -2.513 1.00 0.00 H new ATOM 0 HE ARG A 24 8.053 -11.908 0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.581 -14.524 -1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.270 -14.348 -1.592 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.294 -10.880 -1.157 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.231 -12.303 -1.621 1.00 0.00 H new ATOM 368 N TRP A 25 3.132 -9.398 0.170 1.00 0.00 N ATOM 369 CA TRP A 25 2.730 -8.924 1.518 1.00 0.00 C ATOM 370 C TRP A 25 1.218 -9.104 1.686 1.00 0.00 C ATOM 371 O TRP A 25 0.687 -8.983 2.770 1.00 0.00 O ATOM 372 CB TRP A 25 3.118 -7.447 1.549 1.00 0.00 C ATOM 373 CG TRP A 25 4.584 -7.320 1.280 1.00 0.00 C ATOM 374 CD1 TRP A 25 5.129 -6.722 0.194 1.00 0.00 C ATOM 375 CD2 TRP A 25 5.702 -7.794 2.084 1.00 0.00 C ATOM 376 NE1 TRP A 25 6.505 -6.797 0.287 1.00 0.00 N ATOM 377 CE2 TRP A 25 6.904 -7.446 1.429 1.00 0.00 C ATOM 378 CE3 TRP A 25 5.793 -8.483 3.309 1.00 0.00 C ATOM 379 CZ2 TRP A 25 8.146 -7.764 1.957 1.00 0.00 C ATOM 380 CZ3 TRP A 25 7.049 -8.809 3.848 1.00 0.00 C ATOM 381 CH2 TRP A 25 8.225 -8.449 3.172 1.00 0.00 C ATOM 0 H TRP A 25 3.281 -8.663 -0.521 1.00 0.00 H new ATOM 0 HA TRP A 25 3.210 -9.475 2.327 1.00 0.00 H new ATOM 0 HB2 TRP A 25 2.549 -6.893 0.802 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.875 -7.015 2.520 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.578 -6.262 -0.613 1.00 0.00 H new ATOM 0 HE1 TRP A 25 7.147 -6.416 -0.408 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.893 -8.762 3.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 9.047 -7.484 1.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 7.110 -9.339 4.787 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.188 -8.701 3.590 1.00 0.00 H new ATOM 392 N LYS A 26 0.531 -9.418 0.615 1.00 0.00 N ATOM 393 CA LYS A 26 -0.944 -9.640 0.692 1.00 0.00 C ATOM 394 C LYS A 26 -1.690 -8.328 0.955 1.00 0.00 C ATOM 395 O LYS A 26 -2.786 -8.334 1.478 1.00 0.00 O ATOM 396 CB LYS A 26 -1.122 -10.644 1.854 1.00 0.00 C ATOM 397 CG LYS A 26 -1.636 -9.945 3.127 1.00 0.00 C ATOM 398 CD LYS A 26 -0.966 -10.540 4.367 1.00 0.00 C ATOM 399 CE LYS A 26 -0.899 -12.066 4.243 1.00 0.00 C ATOM 400 NZ LYS A 26 -0.459 -12.543 5.585 1.00 0.00 N ATOM 0 H LYS A 26 0.933 -9.531 -0.316 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.357 -10.021 -0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.822 -11.425 1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.170 -11.132 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.430 -8.876 3.072 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.718 -10.058 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.038 -10.131 4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.525 -10.263 5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.870 -12.483 3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.196 -12.368 3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.390 -13.581 5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.471 -12.135 5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.151 -12.246 6.303 1.00 0.00 H new ATOM 414 N TRP A 27 -1.119 -7.210 0.612 1.00 0.00 N ATOM 415 CA TRP A 27 -1.825 -5.929 0.871 1.00 0.00 C ATOM 416 C TRP A 27 -0.982 -4.744 0.407 1.00 0.00 C ATOM 417 O TRP A 27 0.121 -4.906 -0.078 1.00 0.00 O ATOM 418 CB TRP A 27 -2.024 -5.877 2.398 1.00 0.00 C ATOM 419 CG TRP A 27 -0.707 -6.022 3.118 1.00 0.00 C ATOM 420 CD1 TRP A 27 0.427 -5.348 2.820 1.00 0.00 C ATOM 421 CD2 TRP A 27 -0.385 -6.849 4.281 1.00 0.00 C ATOM 422 NE1 TRP A 27 1.423 -5.733 3.696 1.00 0.00 N ATOM 423 CE2 TRP A 27 0.973 -6.647 4.612 1.00 0.00 C ATOM 424 CE3 TRP A 27 -1.125 -7.752 5.066 1.00 0.00 C ATOM 425 CZ2 TRP A 27 1.579 -7.307 5.674 1.00 0.00 C ATOM 426 CZ3 TRP A 27 -0.517 -8.419 6.144 1.00 0.00 C ATOM 427 CH2 TRP A 27 0.833 -8.198 6.446 1.00 0.00 C ATOM 0 H TRP A 27 -0.204 -7.128 0.168 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.770 -5.874 0.331 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.493 -4.933 2.676 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.702 -6.673 2.708 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.536 -4.625 2.025 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.379 -5.379 3.665 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.165 -7.934 4.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.620 -7.131 5.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -1.095 -9.107 6.744 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.295 -8.716 7.274 1.00 0.00 H new ATOM 438 N CYS A 28 -1.482 -3.552 0.577 1.00 0.00 N ATOM 439 CA CYS A 28 -0.695 -2.352 0.171 1.00 0.00 C ATOM 440 C CYS A 28 0.519 -2.210 1.098 1.00 0.00 C ATOM 441 O CYS A 28 0.373 -2.004 2.285 1.00 0.00 O ATOM 442 CB CYS A 28 -1.655 -1.174 0.358 1.00 0.00 C ATOM 443 SG CYS A 28 -3.001 -1.294 -0.844 1.00 0.00 S ATOM 0 H CYS A 28 -2.399 -3.356 0.978 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.323 -2.411 -0.852 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.057 -1.176 1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.121 -0.232 0.229 1.00 0.00 H new ATOM 448 N VAL A 29 1.713 -2.328 0.578 1.00 0.00 N ATOM 449 CA VAL A 29 2.915 -2.205 1.463 1.00 0.00 C ATOM 450 C VAL A 29 3.478 -0.783 1.421 1.00 0.00 C ATOM 451 O VAL A 29 3.228 -0.032 0.501 1.00 0.00 O ATOM 452 CB VAL A 29 3.938 -3.214 0.933 1.00 0.00 C ATOM 453 CG1 VAL A 29 3.513 -4.626 1.338 1.00 0.00 C ATOM 454 CG2 VAL A 29 4.024 -3.124 -0.591 1.00 0.00 C ATOM 0 H VAL A 29 1.909 -2.502 -0.408 1.00 0.00 H new ATOM 0 HA VAL A 29 2.663 -2.408 2.504 1.00 0.00 H new ATOM 0 HB VAL A 29 4.916 -2.988 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.239 -5.347 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.464 -4.694 2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.532 -4.846 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.754 -3.846 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.048 -3.343 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.331 -2.119 -0.879 1.00 0.00 H new ATOM 464 N LEU A 30 4.228 -0.410 2.429 1.00 0.00 N ATOM 465 CA LEU A 30 4.813 0.972 2.500 1.00 0.00 C ATOM 466 C LEU A 30 5.794 1.247 1.354 1.00 0.00 C ATOM 467 O LEU A 30 6.884 1.720 1.593 1.00 0.00 O ATOM 468 CB LEU A 30 5.552 0.999 3.838 1.00 0.00 C ATOM 469 CG LEU A 30 4.590 0.626 4.969 1.00 0.00 C ATOM 470 CD1 LEU A 30 5.358 -0.121 6.061 1.00 0.00 C ATOM 471 CD2 LEU A 30 3.980 1.899 5.558 1.00 0.00 C ATOM 0 H LEU A 30 4.465 -1.011 3.218 1.00 0.00 H new ATOM 0 HA LEU A 30 4.039 1.735 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.389 0.302 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.968 1.991 4.014 1.00 0.00 H new ATOM 0 HG LEU A 30 3.797 -0.011 4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.676 -0.388 6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.797 -1.027 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.149 0.519 6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.295 1.635 6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.774 2.535 5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.436 2.435 4.780 1.00 0.00 H new ATOM 483 N ALA A 31 5.395 0.976 0.128 1.00 0.00 N ATOM 484 CA ALA A 31 6.276 1.219 -1.069 1.00 0.00 C ATOM 485 C ALA A 31 7.746 1.350 -0.676 1.00 0.00 C ATOM 486 O ALA A 31 8.436 2.254 -1.102 1.00 0.00 O ATOM 487 CB ALA A 31 5.772 2.524 -1.685 1.00 0.00 C ATOM 0 H ALA A 31 4.479 0.589 -0.098 1.00 0.00 H new ATOM 0 HA ALA A 31 6.225 0.383 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.369 2.765 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.728 2.410 -1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.860 3.329 -0.955 1.00 0.00 H new ATOM 493 N SER A 32 8.225 0.463 0.144 1.00 0.00 N ATOM 494 CA SER A 32 9.650 0.552 0.578 1.00 0.00 C ATOM 495 C SER A 32 10.342 -0.810 0.470 1.00 0.00 C ATOM 496 O SER A 32 9.897 -1.779 1.054 1.00 0.00 O ATOM 497 CB SER A 32 9.587 1.008 2.036 1.00 0.00 C ATOM 498 OG SER A 32 9.878 2.397 2.107 1.00 0.00 O ATOM 0 H SER A 32 7.698 -0.318 0.534 1.00 0.00 H new ATOM 0 HA SER A 32 10.223 1.238 -0.046 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.597 0.811 2.448 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.301 0.444 2.637 1.00 0.00 H new ATOM 0 HG SER A 32 9.837 2.693 3.040 1.00 0.00 H new ATOM 504 N PRO A 33 11.419 -0.834 -0.273 1.00 0.00 N ATOM 505 CA PRO A 33 12.188 -2.085 -0.456 1.00 0.00 C ATOM 506 C PRO A 33 13.011 -2.387 0.798 1.00 0.00 C ATOM 507 O PRO A 33 14.208 -2.586 0.736 1.00 0.00 O ATOM 508 CB PRO A 33 13.101 -1.777 -1.638 1.00 0.00 C ATOM 509 CG PRO A 33 13.251 -0.288 -1.640 1.00 0.00 C ATOM 510 CD PRO A 33 12.010 0.291 -1.008 1.00 0.00 C ATOM 0 HA PRO A 33 11.556 -2.956 -0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.067 -2.270 -1.528 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.667 -2.130 -2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.140 0.009 -1.083 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.373 0.084 -2.657 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.252 1.119 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.324 0.679 -1.761 1.00 0.00 H new ATOM 518 N PHE A 34 12.380 -2.421 1.937 1.00 0.00 N ATOM 519 CA PHE A 34 13.129 -2.706 3.194 1.00 0.00 C ATOM 520 C PHE A 34 13.697 -4.128 3.160 1.00 0.00 C ATOM 521 O PHE A 34 14.805 -4.313 3.635 1.00 0.00 O ATOM 522 CB PHE A 34 12.096 -2.569 4.311 1.00 0.00 C ATOM 523 CG PHE A 34 12.323 -1.274 5.051 1.00 0.00 C ATOM 524 CD1 PHE A 34 13.453 -1.121 5.861 1.00 0.00 C ATOM 525 CD2 PHE A 34 11.403 -0.225 4.929 1.00 0.00 C ATOM 526 CE1 PHE A 34 13.665 0.079 6.550 1.00 0.00 C ATOM 527 CE2 PHE A 34 11.614 0.975 5.617 1.00 0.00 C ATOM 528 CZ PHE A 34 12.746 1.127 6.427 1.00 0.00 C ATOM 529 OXT PHE A 34 13.014 -5.005 2.659 1.00 0.00 O ATOM 0 H PHE A 34 11.379 -2.264 2.053 1.00 0.00 H new ATOM 0 HA PHE A 34 13.972 -2.030 3.334 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.089 -2.590 3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.174 -3.411 4.998 1.00 0.00 H new ATOM 0 HD1 PHE A 34 14.163 -1.930 5.955 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.530 -0.342 4.304 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.537 0.196 7.176 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.904 1.784 5.523 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.910 2.054 6.957 1.00 0.00 H new TER 539 PHE A 34