USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 265 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 SER N :NH3+ -166:sc= -0.0658 (180deg=-0.313) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0879) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.22 X(o=-1.2,f=-1) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0544 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -140:sc= -0.176 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0126) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.889 0.993 -2.161 1.00 52.43 N ATOM 2 CA SER A 1 2.845 -0.145 -1.252 1.00 24.24 C ATOM 3 C SER A 1 2.774 -1.458 -2.027 1.00 44.41 C ATOM 4 O SER A 1 3.205 -2.502 -1.540 1.00 73.41 O ATOM 5 CB SER A 1 1.644 -0.029 -0.312 1.00 3.13 C ATOM 6 OG SER A 1 1.884 -0.709 0.908 1.00 33.44 O ATOM 0 H1 SER A 1 3.173 1.845 -1.637 1.00 52.43 H new ATOM 0 H2 SER A 1 3.578 0.806 -2.918 1.00 52.43 H new ATOM 0 H3 SER A 1 1.948 1.141 -2.578 1.00 52.43 H new ATOM 0 HA SER A 1 3.761 -0.141 -0.661 1.00 24.24 H new ATOM 0 HB2 SER A 1 1.435 1.022 -0.111 1.00 3.13 H new ATOM 0 HB3 SER A 1 0.759 -0.443 -0.795 1.00 3.13 H new ATOM 0 HG SER A 1 1.102 -0.619 1.492 1.00 33.44 H new ATOM 12 N GLU A 2 2.227 -1.394 -3.236 1.00 41.25 N ATOM 13 CA GLU A 2 2.098 -2.576 -4.080 1.00 73.01 C ATOM 14 C GLU A 2 3.460 -3.218 -4.329 1.00 11.12 C ATOM 15 O GLU A 2 4.496 -2.670 -3.948 1.00 60.40 O ATOM 16 CB GLU A 2 1.442 -2.211 -5.414 1.00 23.35 C ATOM 17 CG GLU A 2 0.452 -3.250 -5.909 1.00 11.21 C ATOM 18 CD GLU A 2 -0.708 -2.636 -6.670 1.00 4.33 C ATOM 19 OE1 GLU A 2 -1.596 -2.045 -6.019 1.00 41.33 O1- ATOM 20 OE2 GLU A 2 -0.726 -2.745 -7.913 1.00 33.02 O ATOM 0 H GLU A 2 1.866 -0.536 -3.653 1.00 41.25 H new ATOM 0 HA GLU A 2 1.466 -3.295 -3.559 1.00 73.01 H new ATOM 0 HB2 GLU A 2 0.930 -1.255 -5.308 1.00 23.35 H new ATOM 0 HB3 GLU A 2 2.219 -2.074 -6.166 1.00 23.35 H new ATOM 0 HG2 GLU A 2 0.969 -3.961 -6.554 1.00 11.21 H new ATOM 0 HG3 GLU A 2 0.067 -3.813 -5.059 1.00 11.21 H new ATOM 27 N CYS A 3 3.451 -4.381 -4.970 1.00 42.14 N ATOM 28 CA CYS A 3 4.684 -5.099 -5.270 1.00 42.15 C ATOM 29 C CYS A 3 4.730 -5.511 -6.740 1.00 30.34 C ATOM 30 O CYS A 3 3.833 -5.182 -7.515 1.00 64.22 O ATOM 31 CB CYS A 3 4.809 -6.336 -4.379 1.00 34.30 C ATOM 32 SG CYS A 3 3.291 -7.339 -4.282 1.00 72.02 S ATOM 0 H CYS A 3 2.603 -4.847 -5.292 1.00 42.14 H new ATOM 0 HA CYS A 3 5.521 -4.430 -5.071 1.00 42.15 H new ATOM 0 HB2 CYS A 3 5.621 -6.960 -4.754 1.00 34.30 H new ATOM 0 HB3 CYS A 3 5.088 -6.020 -3.374 1.00 34.30 H new ATOM 37 N GLY A 4 5.782 -6.233 -7.114 1.00 4.44 N ATOM 38 CA GLY A 4 5.926 -6.678 -8.487 1.00 13.42 C ATOM 39 C GLY A 4 4.838 -7.651 -8.898 1.00 43.02 C ATOM 40 O GLY A 4 3.745 -7.648 -8.332 1.00 51.20 O ATOM 0 H GLY A 4 6.537 -6.517 -6.490 1.00 4.44 H new ATOM 0 HA2 GLY A 4 5.905 -5.813 -9.150 1.00 13.42 H new ATOM 0 HA3 GLY A 4 6.899 -7.152 -8.612 1.00 13.42 H new ATOM 44 N LYS A 5 5.138 -8.486 -9.888 1.00 14.14 N ATOM 45 CA LYS A 5 4.178 -9.469 -10.375 1.00 71.53 C ATOM 46 C LYS A 5 4.842 -10.445 -11.342 1.00 3.13 C ATOM 47 O LYS A 5 5.997 -10.262 -11.727 1.00 70.30 O ATOM 48 CB LYS A 5 3.005 -8.769 -11.066 1.00 45.22 C ATOM 49 CG LYS A 5 1.646 -9.210 -10.553 1.00 15.10 C ATOM 50 CD LYS A 5 0.575 -9.074 -11.623 1.00 72.00 C ATOM 51 CE LYS A 5 -0.452 -8.015 -11.253 1.00 3.34 C ATOM 52 NZ LYS A 5 -1.486 -7.851 -12.311 1.00 33.12 N1+ ATOM 0 H LYS A 5 6.038 -8.501 -10.368 1.00 14.14 H new ATOM 0 HA LYS A 5 3.805 -10.030 -9.518 1.00 71.53 H new ATOM 0 HB2 LYS A 5 3.104 -7.692 -10.929 1.00 45.22 H new ATOM 0 HB3 LYS A 5 3.059 -8.960 -12.138 1.00 45.22 H new ATOM 0 HG2 LYS A 5 1.700 -10.247 -10.221 1.00 15.10 H new ATOM 0 HG3 LYS A 5 1.372 -8.611 -9.684 1.00 15.10 H new ATOM 0 HD2 LYS A 5 1.040 -8.814 -12.574 1.00 72.00 H new ATOM 0 HD3 LYS A 5 0.076 -10.033 -11.764 1.00 72.00 H new ATOM 0 HE2 LYS A 5 -0.933 -8.289 -10.314 1.00 3.34 H new ATOM 0 HE3 LYS A 5 0.052 -7.063 -11.087 1.00 3.34 H new ATOM 0 HZ1 LYS A 5 -2.043 -6.993 -12.122 1.00 33.12 H new ATOM 0 HZ2 LYS A 5 -1.023 -7.767 -13.239 1.00 33.12 H new ATOM 0 HZ3 LYS A 5 -2.116 -8.679 -12.312 1.00 33.12 H new ATOM 66 N PHE A 6 4.105 -11.481 -11.730 1.00 1.44 N ATOM 67 CA PHE A 6 4.623 -12.485 -12.651 1.00 43.32 C ATOM 68 C PHE A 6 4.674 -11.941 -14.075 1.00 62.05 C ATOM 69 O PHE A 6 3.795 -11.190 -14.496 1.00 70.24 O ATOM 70 CB PHE A 6 3.755 -13.745 -12.606 1.00 24.12 C ATOM 71 CG PHE A 6 4.107 -14.753 -13.664 1.00 13.53 C ATOM 72 CD1 PHE A 6 5.408 -15.206 -13.802 1.00 75.24 C ATOM 73 CD2 PHE A 6 3.134 -15.245 -14.519 1.00 30.22 C ATOM 74 CE1 PHE A 6 5.733 -16.133 -14.775 1.00 25.35 C ATOM 75 CE2 PHE A 6 3.454 -16.172 -15.492 1.00 72.54 C ATOM 76 CZ PHE A 6 4.755 -16.616 -15.621 1.00 32.12 C ATOM 0 H PHE A 6 3.147 -11.647 -11.421 1.00 1.44 H new ATOM 0 HA PHE A 6 5.637 -12.738 -12.340 1.00 43.32 H new ATOM 0 HB2 PHE A 6 3.854 -14.210 -11.625 1.00 24.12 H new ATOM 0 HB3 PHE A 6 2.709 -13.460 -12.720 1.00 24.12 H new ATOM 0 HD1 PHE A 6 6.177 -14.831 -13.143 1.00 75.24 H new ATOM 0 HD2 PHE A 6 2.115 -14.900 -14.424 1.00 30.22 H new ATOM 0 HE1 PHE A 6 6.751 -16.479 -14.873 1.00 25.35 H new ATOM 0 HE2 PHE A 6 2.687 -16.549 -16.152 1.00 72.54 H new ATOM 0 HZ PHE A 6 5.007 -17.340 -16.382 1.00 32.12 H new ATOM 86 N MET A 7 5.712 -12.325 -14.811 1.00 43.35 N ATOM 87 CA MET A 7 5.879 -11.876 -16.190 1.00 21.13 C ATOM 88 C MET A 7 6.029 -10.359 -16.252 1.00 62.32 C ATOM 89 O MET A 7 5.802 -9.747 -17.296 1.00 44.50 O ATOM 90 CB MET A 7 4.687 -12.318 -17.040 1.00 61.22 C ATOM 91 CG MET A 7 4.948 -13.585 -17.839 1.00 50.33 C ATOM 92 SD MET A 7 3.676 -13.897 -19.078 1.00 74.33 S ATOM 93 CE MET A 7 4.467 -15.168 -20.062 1.00 44.25 C ATOM 0 H MET A 7 6.450 -12.945 -14.477 1.00 43.35 H new ATOM 0 HA MET A 7 6.787 -12.330 -16.587 1.00 21.13 H new ATOM 0 HB2 MET A 7 3.827 -12.479 -16.390 1.00 61.22 H new ATOM 0 HB3 MET A 7 4.422 -11.514 -17.726 1.00 61.22 H new ATOM 0 HG2 MET A 7 5.918 -13.507 -18.331 1.00 50.33 H new ATOM 0 HG3 MET A 7 5.003 -14.435 -17.158 1.00 50.33 H new ATOM 0 HE1 MET A 7 3.802 -15.467 -20.872 1.00 44.25 H new ATOM 0 HE2 MET A 7 5.396 -14.780 -20.479 1.00 44.25 H new ATOM 0 HE3 MET A 7 4.685 -16.032 -19.434 1.00 44.25 H new ATOM 103 N TRP A 8 6.411 -9.759 -15.131 1.00 34.43 N ATOM 104 CA TRP A 8 6.590 -8.314 -15.060 1.00 22.41 C ATOM 105 C TRP A 8 8.071 -7.950 -15.024 1.00 34.33 C ATOM 106 O TRP A 8 8.834 -8.490 -14.221 1.00 51.25 O ATOM 107 CB TRP A 8 5.883 -7.752 -13.825 1.00 44.33 C ATOM 108 CG TRP A 8 4.405 -7.590 -14.008 1.00 72.12 C ATOM 109 CD1 TRP A 8 3.597 -8.322 -14.832 1.00 44.44 C ATOM 110 CD2 TRP A 8 3.560 -6.637 -13.356 1.00 51.33 C ATOM 111 NE1 TRP A 8 2.300 -7.879 -14.731 1.00 14.23 N ATOM 112 CE2 TRP A 8 2.251 -6.848 -13.831 1.00 53.53 C ATOM 113 CE3 TRP A 8 3.781 -5.627 -12.415 1.00 73.15 C ATOM 114 CZ2 TRP A 8 1.170 -6.084 -13.397 1.00 54.31 C ATOM 115 CZ3 TRP A 8 2.708 -4.871 -11.986 1.00 13.31 C ATOM 116 CH2 TRP A 8 1.415 -5.102 -12.476 1.00 23.11 C ATOM 0 H TRP A 8 6.603 -10.251 -14.258 1.00 34.43 H new ATOM 0 HA TRP A 8 6.149 -7.874 -15.954 1.00 22.41 H new ATOM 0 HB2 TRP A 8 6.066 -8.413 -12.978 1.00 44.33 H new ATOM 0 HB3 TRP A 8 6.319 -6.785 -13.575 1.00 44.33 H new ATOM 0 HD1 TRP A 8 3.929 -9.129 -15.468 1.00 44.44 H new ATOM 0 HE1 TRP A 8 1.503 -8.257 -15.243 1.00 14.23 H new ATOM 0 HE3 TRP A 8 4.773 -5.441 -12.031 1.00 73.15 H new ATOM 0 HZ2 TRP A 8 0.174 -6.261 -13.774 1.00 54.31 H new ATOM 0 HZ3 TRP A 8 2.868 -4.088 -11.260 1.00 13.31 H new ATOM 0 HH2 TRP A 8 0.597 -4.493 -12.120 1.00 23.11 H new ATOM 127 N LYS A 9 8.471 -7.032 -15.896 1.00 21.41 N ATOM 128 CA LYS A 9 9.861 -6.595 -15.963 1.00 71.24 C ATOM 129 C LYS A 9 10.377 -6.209 -14.581 1.00 45.12 C ATOM 130 O LYS A 9 9.612 -5.773 -13.721 1.00 22.42 O ATOM 131 CB LYS A 9 9.998 -5.408 -16.920 1.00 71.41 C ATOM 132 CG LYS A 9 9.909 -5.796 -18.386 1.00 42.53 C ATOM 133 CD LYS A 9 8.469 -5.820 -18.871 1.00 21.25 C ATOM 134 CE LYS A 9 8.392 -5.879 -20.388 1.00 65.14 C ATOM 135 NZ LYS A 9 7.100 -6.453 -20.856 1.00 63.20 N1+ ATOM 0 H LYS A 9 7.853 -6.576 -16.567 1.00 21.41 H new ATOM 0 HA LYS A 9 10.460 -7.426 -16.336 1.00 71.24 H new ATOM 0 HB2 LYS A 9 9.218 -4.680 -16.697 1.00 71.41 H new ATOM 0 HB3 LYS A 9 10.954 -4.916 -16.740 1.00 71.41 H new ATOM 0 HG2 LYS A 9 10.484 -5.090 -18.985 1.00 42.53 H new ATOM 0 HG3 LYS A 9 10.359 -6.778 -18.531 1.00 42.53 H new ATOM 0 HD2 LYS A 9 7.955 -6.682 -18.446 1.00 21.25 H new ATOM 0 HD3 LYS A 9 7.949 -4.931 -18.514 1.00 21.25 H new ATOM 0 HE2 LYS A 9 8.513 -4.876 -20.797 1.00 65.14 H new ATOM 0 HE3 LYS A 9 9.216 -6.481 -20.770 1.00 65.14 H new ATOM 0 HZ1 LYS A 9 7.087 -6.476 -21.896 1.00 63.20 H new ATOM 0 HZ2 LYS A 9 6.996 -7.420 -20.487 1.00 63.20 H new ATOM 0 HZ3 LYS A 9 6.314 -5.865 -20.513 1.00 63.20 H new ATOM 149 N CYS A 10 11.679 -6.371 -14.375 1.00 44.41 N ATOM 150 CA CYS A 10 12.300 -6.039 -13.098 1.00 52.21 C ATOM 151 C CYS A 10 13.800 -5.817 -13.263 1.00 12.32 C ATOM 152 O CYS A 10 14.451 -6.472 -14.077 1.00 13.12 O ATOM 153 CB CYS A 10 12.046 -7.152 -12.080 1.00 5.43 C ATOM 154 SG CYS A 10 12.946 -8.697 -12.428 1.00 71.00 S ATOM 0 H CYS A 10 12.326 -6.731 -15.077 1.00 44.41 H new ATOM 0 HA CYS A 10 11.853 -5.114 -12.734 1.00 52.21 H new ATOM 0 HB2 CYS A 10 12.328 -6.795 -11.089 1.00 5.43 H new ATOM 0 HB3 CYS A 10 10.978 -7.365 -12.050 1.00 5.43 H new ATOM 159 N LYS A 11 14.344 -4.887 -12.484 1.00 64.42 N ATOM 160 CA LYS A 11 15.768 -4.578 -12.540 1.00 41.35 C ATOM 161 C LYS A 11 16.552 -5.444 -11.560 1.00 30.14 C ATOM 162 O LYS A 11 17.778 -5.518 -11.627 1.00 31.31 O ATOM 163 CB LYS A 11 16.002 -3.098 -12.231 1.00 1.10 C ATOM 164 CG LYS A 11 15.119 -2.160 -13.038 1.00 23.24 C ATOM 165 CD LYS A 11 13.952 -1.645 -12.213 1.00 22.43 C ATOM 166 CE LYS A 11 13.066 -0.712 -13.023 1.00 23.11 C ATOM 167 NZ LYS A 11 12.305 0.225 -12.151 1.00 11.12 N1+ ATOM 0 H LYS A 11 13.819 -4.334 -11.806 1.00 64.42 H new ATOM 0 HA LYS A 11 16.121 -4.792 -13.549 1.00 41.35 H new ATOM 0 HB2 LYS A 11 15.826 -2.925 -11.169 1.00 1.10 H new ATOM 0 HB3 LYS A 11 17.047 -2.856 -12.425 1.00 1.10 H new ATOM 0 HG2 LYS A 11 15.712 -1.318 -13.396 1.00 23.24 H new ATOM 0 HG3 LYS A 11 14.742 -2.681 -13.918 1.00 23.24 H new ATOM 0 HD2 LYS A 11 13.361 -2.487 -11.851 1.00 22.43 H new ATOM 0 HD3 LYS A 11 14.329 -1.120 -11.335 1.00 22.43 H new ATOM 0 HE2 LYS A 11 13.680 -0.142 -13.720 1.00 23.11 H new ATOM 0 HE3 LYS A 11 12.369 -1.300 -13.620 1.00 23.11 H new ATOM 0 HZ1 LYS A 11 11.713 0.844 -12.740 1.00 11.12 H new ATOM 0 HZ2 LYS A 11 11.700 -0.318 -11.503 1.00 11.12 H new ATOM 0 HZ3 LYS A 11 12.970 0.804 -11.600 1.00 11.12 H new ATOM 181 N ASN A 12 15.836 -6.097 -10.650 1.00 51.45 N ATOM 182 CA ASN A 12 16.465 -6.958 -9.657 1.00 3.12 C ATOM 183 C ASN A 12 15.440 -7.887 -9.013 1.00 14.41 C ATOM 184 O ASN A 12 14.243 -7.789 -9.284 1.00 45.02 O ATOM 185 CB ASN A 12 17.151 -6.114 -8.581 1.00 2.42 C ATOM 186 CG ASN A 12 18.575 -5.747 -8.953 1.00 32.43 C ATOM 187 OD1 ASN A 12 19.466 -6.597 -8.953 1.00 31.00 O ATOM 188 ND2 ASN A 12 18.795 -4.477 -9.272 1.00 73.25 N ATOM 0 H ASN A 12 14.820 -6.046 -10.580 1.00 51.45 H new ATOM 0 HA ASN A 12 17.213 -7.568 -10.164 1.00 3.12 H new ATOM 0 HB2 ASN A 12 16.575 -5.203 -8.416 1.00 2.42 H new ATOM 0 HB3 ASN A 12 17.155 -6.664 -7.640 1.00 2.42 H new ATOM 0 HD21 ASN A 12 19.733 -4.171 -9.531 1.00 73.25 H new ATOM 0 HD22 ASN A 12 18.026 -3.807 -9.258 1.00 73.25 H new ATOM 195 N SER A 13 15.918 -8.788 -8.161 1.00 15.42 N ATOM 196 CA SER A 13 15.043 -9.736 -7.481 1.00 2.01 C ATOM 197 C SER A 13 14.215 -9.038 -6.406 1.00 64.12 C ATOM 198 O SER A 13 13.299 -9.626 -5.833 1.00 55.22 O ATOM 199 CB SER A 13 15.866 -10.863 -6.855 1.00 4.24 C ATOM 200 OG SER A 13 15.381 -11.195 -5.566 1.00 14.12 O ATOM 0 H SER A 13 16.906 -8.882 -7.925 1.00 15.42 H new ATOM 0 HA SER A 13 14.363 -10.159 -8.220 1.00 2.01 H new ATOM 0 HB2 SER A 13 15.831 -11.743 -7.498 1.00 4.24 H new ATOM 0 HB3 SER A 13 16.911 -10.560 -6.787 1.00 4.24 H new ATOM 0 HG SER A 13 15.923 -11.919 -5.189 1.00 14.12 H new ATOM 206 N ASN A 14 14.547 -7.780 -6.137 1.00 2.51 N ATOM 207 CA ASN A 14 13.836 -7.000 -5.131 1.00 2.11 C ATOM 208 C ASN A 14 12.443 -6.619 -5.622 1.00 40.21 C ATOM 209 O ASN A 14 11.513 -6.470 -4.829 1.00 72.22 O ATOM 210 CB ASN A 14 14.628 -5.738 -4.778 1.00 71.03 C ATOM 211 CG ASN A 14 15.814 -6.032 -3.881 1.00 13.31 C ATOM 212 OD1 ASN A 14 16.301 -7.161 -3.827 1.00 35.41 O ATOM 213 ND2 ASN A 14 16.285 -5.013 -3.171 1.00 13.12 N ATOM 0 H ASN A 14 15.304 -7.279 -6.602 1.00 2.51 H new ATOM 0 HA ASN A 14 13.731 -7.616 -4.238 1.00 2.11 H new ATOM 0 HB2 ASN A 14 14.978 -5.264 -5.695 1.00 71.03 H new ATOM 0 HB3 ASN A 14 13.969 -5.025 -4.282 1.00 71.03 H new ATOM 0 HD21 ASN A 14 17.082 -5.150 -2.549 1.00 13.12 H new ATOM 0 HD22 ASN A 14 15.850 -4.094 -3.247 1.00 13.12 H new ATOM 220 N ASP A 15 12.306 -6.461 -6.934 1.00 65.41 N ATOM 221 CA ASP A 15 11.028 -6.099 -7.532 1.00 74.11 C ATOM 222 C ASP A 15 10.012 -7.226 -7.368 1.00 3.03 C ATOM 223 O ASP A 15 8.803 -6.991 -7.363 1.00 52.11 O ATOM 224 CB ASP A 15 11.208 -5.772 -9.016 1.00 34.42 C ATOM 225 CG ASP A 15 10.730 -4.377 -9.363 1.00 12.24 C ATOM 226 OD1 ASP A 15 9.523 -4.103 -9.191 1.00 11.11 O1- ATOM 227 OD2 ASP A 15 11.561 -3.557 -9.808 1.00 30.12 O ATOM 0 H ASP A 15 13.066 -6.578 -7.604 1.00 65.41 H new ATOM 0 HA ASP A 15 10.652 -5.216 -7.016 1.00 74.11 H new ATOM 0 HB2 ASP A 15 12.261 -5.869 -9.281 1.00 34.42 H new ATOM 0 HB3 ASP A 15 10.660 -6.500 -9.615 1.00 34.42 H new ATOM 232 N CYS A 16 10.511 -8.450 -7.232 1.00 23.35 N ATOM 233 CA CYS A 16 9.649 -9.614 -7.068 1.00 33.41 C ATOM 234 C CYS A 16 8.854 -9.524 -5.769 1.00 13.44 C ATOM 235 O CYS A 16 9.418 -9.298 -4.697 1.00 13.33 O ATOM 236 CB CYS A 16 10.481 -10.897 -7.080 1.00 65.34 C ATOM 237 SG CYS A 16 11.250 -11.269 -8.690 1.00 62.13 S ATOM 0 H CYS A 16 11.509 -8.661 -7.232 1.00 23.35 H new ATOM 0 HA CYS A 16 8.948 -9.635 -7.902 1.00 33.41 H new ATOM 0 HB2 CYS A 16 11.263 -10.817 -6.325 1.00 65.34 H new ATOM 0 HB3 CYS A 16 9.844 -11.733 -6.792 1.00 65.34 H new ATOM 242 N CYS A 17 7.541 -9.701 -5.871 1.00 51.51 N ATOM 243 CA CYS A 17 6.667 -9.639 -4.706 1.00 14.30 C ATOM 244 C CYS A 17 6.830 -10.884 -3.838 1.00 34.03 C ATOM 245 O CYS A 17 7.339 -10.813 -2.718 1.00 53.55 O ATOM 246 CB CYS A 17 5.208 -9.496 -5.143 1.00 32.13 C ATOM 247 SG CYS A 17 4.061 -9.094 -3.786 1.00 71.00 S ATOM 0 H CYS A 17 7.059 -9.889 -6.750 1.00 51.51 H new ATOM 0 HA CYS A 17 6.949 -8.766 -4.117 1.00 14.30 H new ATOM 0 HB2 CYS A 17 5.142 -8.717 -5.903 1.00 32.13 H new ATOM 0 HB3 CYS A 17 4.887 -10.426 -5.612 1.00 32.13 H new ATOM 252 N LYS A 18 6.393 -12.025 -4.361 1.00 2.41 N ATOM 253 CA LYS A 18 6.491 -13.286 -3.637 1.00 32.05 C ATOM 254 C LYS A 18 6.446 -14.470 -4.597 1.00 15.02 C ATOM 255 O LYS A 18 5.646 -14.492 -5.533 1.00 34.32 O ATOM 256 CB LYS A 18 5.357 -13.400 -2.615 1.00 73.25 C ATOM 257 CG LYS A 18 5.772 -14.070 -1.317 1.00 5.22 C ATOM 258 CD LYS A 18 6.700 -13.182 -0.503 1.00 54.05 C ATOM 259 CE LYS A 18 5.921 -12.278 0.440 1.00 51.15 C ATOM 260 NZ LYS A 18 5.572 -12.971 1.711 1.00 61.42 N1+ ATOM 0 H LYS A 18 5.967 -12.102 -5.285 1.00 2.41 H new ATOM 0 HA LYS A 18 7.447 -13.302 -3.113 1.00 32.05 H new ATOM 0 HB2 LYS A 18 4.977 -12.403 -2.394 1.00 73.25 H new ATOM 0 HB3 LYS A 18 4.535 -13.963 -3.058 1.00 73.25 H new ATOM 0 HG2 LYS A 18 4.885 -14.307 -0.729 1.00 5.22 H new ATOM 0 HG3 LYS A 18 6.270 -15.014 -1.537 1.00 5.22 H new ATOM 0 HD2 LYS A 18 7.388 -13.803 0.071 1.00 54.05 H new ATOM 0 HD3 LYS A 18 7.305 -12.573 -1.175 1.00 54.05 H new ATOM 0 HE2 LYS A 18 6.512 -11.389 0.661 1.00 51.15 H new ATOM 0 HE3 LYS A 18 5.009 -11.940 -0.052 1.00 51.15 H new ATOM 0 HZ1 LYS A 18 5.042 -12.321 2.326 1.00 61.42 H new ATOM 0 HZ2 LYS A 18 4.987 -13.805 1.502 1.00 61.42 H new ATOM 0 HZ3 LYS A 18 6.443 -13.271 2.193 1.00 61.42 H new ATOM 274 N ASP A 19 7.308 -15.452 -4.359 1.00 60.05 N ATOM 275 CA ASP A 19 7.364 -16.641 -5.202 1.00 34.00 C ATOM 276 C ASP A 19 7.816 -16.284 -6.615 1.00 62.31 C ATOM 277 O ASP A 19 7.597 -17.044 -7.559 1.00 74.31 O ATOM 278 CB ASP A 19 5.996 -17.325 -5.248 1.00 44.15 C ATOM 279 CG ASP A 19 6.084 -18.761 -5.725 1.00 0.10 C ATOM 280 OD1 ASP A 19 7.106 -19.420 -5.442 1.00 21.34 O1- ATOM 281 OD2 ASP A 19 5.129 -19.227 -6.381 1.00 31.11 O ATOM 0 H ASP A 19 7.978 -15.449 -3.590 1.00 60.05 H new ATOM 0 HA ASP A 19 8.091 -17.329 -4.770 1.00 34.00 H new ATOM 0 HB2 ASP A 19 5.548 -17.302 -4.255 1.00 44.15 H new ATOM 0 HB3 ASP A 19 5.335 -16.765 -5.909 1.00 44.15 H new ATOM 286 N LEU A 20 8.449 -15.125 -6.753 1.00 15.45 N ATOM 287 CA LEU A 20 8.931 -14.666 -8.051 1.00 3.34 C ATOM 288 C LEU A 20 10.435 -14.412 -8.014 1.00 15.22 C ATOM 289 O LEU A 20 10.994 -14.079 -6.969 1.00 54.12 O ATOM 290 CB LEU A 20 8.197 -13.390 -8.469 1.00 32.33 C ATOM 291 CG LEU A 20 6.925 -13.587 -9.294 1.00 1.30 C ATOM 292 CD1 LEU A 20 6.163 -14.813 -8.815 1.00 64.44 C ATOM 293 CD2 LEU A 20 6.045 -12.348 -9.220 1.00 74.21 C ATOM 0 H LEU A 20 8.641 -14.485 -5.982 1.00 15.45 H new ATOM 0 HA LEU A 20 8.730 -15.449 -8.783 1.00 3.34 H new ATOM 0 HB2 LEU A 20 7.939 -12.832 -7.569 1.00 32.33 H new ATOM 0 HB3 LEU A 20 8.886 -12.770 -9.043 1.00 32.33 H new ATOM 0 HG LEU A 20 7.210 -13.745 -10.334 1.00 1.30 H new ATOM 0 HD11 LEU A 20 5.261 -14.937 -9.414 1.00 64.44 H new ATOM 0 HD12 LEU A 20 6.793 -15.697 -8.920 1.00 64.44 H new ATOM 0 HD13 LEU A 20 5.889 -14.685 -7.768 1.00 64.44 H new ATOM 0 HD21 LEU A 20 5.144 -12.506 -9.813 1.00 74.21 H new ATOM 0 HD22 LEU A 20 5.768 -12.160 -8.183 1.00 74.21 H new ATOM 0 HD23 LEU A 20 6.591 -11.490 -9.611 1.00 74.21 H new ATOM 305 N VAL A 21 11.085 -14.570 -9.163 1.00 12.02 N ATOM 306 CA VAL A 21 12.523 -14.356 -9.263 1.00 44.43 C ATOM 307 C VAL A 21 12.885 -13.656 -10.569 1.00 71.53 C ATOM 308 O VAL A 21 12.489 -14.093 -11.650 1.00 64.04 O ATOM 309 CB VAL A 21 13.297 -15.684 -9.174 1.00 20.32 C ATOM 310 CG1 VAL A 21 13.273 -16.221 -7.752 1.00 31.34 C ATOM 311 CG2 VAL A 21 12.721 -16.702 -10.147 1.00 70.34 C ATOM 0 H VAL A 21 10.638 -14.846 -10.037 1.00 12.02 H new ATOM 0 HA VAL A 21 12.807 -13.722 -8.423 1.00 44.43 H new ATOM 0 HB VAL A 21 14.335 -15.499 -9.450 1.00 20.32 H new ATOM 0 HG11 VAL A 21 13.825 -17.160 -7.708 1.00 31.34 H new ATOM 0 HG12 VAL A 21 13.736 -15.497 -7.082 1.00 31.34 H new ATOM 0 HG13 VAL A 21 12.241 -16.392 -7.445 1.00 31.34 H new ATOM 0 HG21 VAL A 21 13.280 -17.635 -10.071 1.00 70.34 H new ATOM 0 HG22 VAL A 21 11.674 -16.885 -9.904 1.00 70.34 H new ATOM 0 HG23 VAL A 21 12.796 -16.316 -11.164 1.00 70.34 H new ATOM 321 N CYS A 22 13.639 -12.568 -10.461 1.00 50.54 N ATOM 322 CA CYS A 22 14.055 -11.806 -11.633 1.00 71.21 C ATOM 323 C CYS A 22 14.880 -12.673 -12.580 1.00 73.43 C ATOM 324 O CYS A 22 15.987 -13.095 -12.246 1.00 44.52 O ATOM 325 CB CYS A 22 14.867 -10.580 -11.209 1.00 74.43 C ATOM 326 SG CYS A 22 14.852 -9.223 -12.424 1.00 14.40 S ATOM 0 H CYS A 22 13.975 -12.194 -9.574 1.00 50.54 H new ATOM 0 HA CYS A 22 13.159 -11.476 -12.158 1.00 71.21 H new ATOM 0 HB2 CYS A 22 14.477 -10.209 -10.261 1.00 74.43 H new ATOM 0 HB3 CYS A 22 15.899 -10.884 -11.032 1.00 74.43 H new ATOM 331 N SER A 23 14.332 -12.935 -13.762 1.00 64.24 N ATOM 332 CA SER A 23 15.015 -13.754 -14.757 1.00 31.22 C ATOM 333 C SER A 23 15.477 -12.904 -15.936 1.00 73.33 C ATOM 334 O SER A 23 14.661 -12.382 -16.697 1.00 61.23 O ATOM 335 CB SER A 23 14.093 -14.872 -15.248 1.00 40.14 C ATOM 336 OG SER A 23 14.397 -16.101 -14.612 1.00 31.01 O ATOM 0 H SER A 23 13.417 -12.592 -14.054 1.00 64.24 H new ATOM 0 HA SER A 23 15.892 -14.198 -14.287 1.00 31.22 H new ATOM 0 HB2 SER A 23 13.055 -14.604 -15.051 1.00 40.14 H new ATOM 0 HB3 SER A 23 14.194 -14.983 -16.328 1.00 40.14 H new ATOM 0 HG SER A 23 14.336 -16.830 -15.264 1.00 31.01 H new ATOM 342 N SER A 24 16.791 -12.770 -16.083 1.00 1.30 N ATOM 343 CA SER A 24 17.363 -11.980 -17.167 1.00 51.40 C ATOM 344 C SER A 24 17.113 -12.647 -18.516 1.00 24.35 C ATOM 345 O SER A 24 17.307 -12.039 -19.568 1.00 53.40 O ATOM 346 CB SER A 24 18.865 -11.790 -16.950 1.00 44.52 C ATOM 347 OG SER A 24 19.567 -13.005 -17.147 1.00 33.02 O ATOM 0 H SER A 24 17.480 -13.198 -15.465 1.00 1.30 H new ATOM 0 HA SER A 24 16.877 -11.004 -17.168 1.00 51.40 H new ATOM 0 HB2 SER A 24 19.242 -11.033 -17.638 1.00 44.52 H new ATOM 0 HB3 SER A 24 19.046 -11.422 -15.940 1.00 44.52 H new ATOM 0 HG SER A 24 20.525 -12.856 -17.004 1.00 33.02 H new ATOM 353 N ARG A 25 16.682 -13.904 -18.476 1.00 75.21 N ATOM 354 CA ARG A 25 16.405 -14.656 -19.693 1.00 43.25 C ATOM 355 C ARG A 25 15.135 -14.148 -20.370 1.00 61.22 C ATOM 356 O ARG A 25 15.109 -13.937 -21.583 1.00 1.33 O ATOM 357 CB ARG A 25 16.266 -16.147 -19.378 1.00 4.34 C ATOM 358 CG ARG A 25 15.581 -16.941 -20.477 1.00 65.22 C ATOM 359 CD ARG A 25 15.837 -18.433 -20.329 1.00 1.10 C ATOM 360 NE ARG A 25 15.695 -19.142 -21.598 1.00 14.51 N ATOM 361 CZ ARG A 25 16.647 -19.190 -22.523 1.00 61.34 C ATOM 362 NH1 ARG A 25 17.804 -18.575 -22.321 1.00 4.04 N1+ ATOM 363 NH2 ARG A 25 16.443 -19.855 -23.653 1.00 71.15 N ATOM 0 H ARG A 25 16.517 -14.423 -17.613 1.00 75.21 H new ATOM 0 HA ARG A 25 17.243 -14.513 -20.376 1.00 43.25 H new ATOM 0 HB2 ARG A 25 17.257 -16.566 -19.202 1.00 4.34 H new ATOM 0 HB3 ARG A 25 15.702 -16.263 -18.452 1.00 4.34 H new ATOM 0 HG2 ARG A 25 14.508 -16.750 -20.450 1.00 65.22 H new ATOM 0 HG3 ARG A 25 15.941 -16.604 -21.449 1.00 65.22 H new ATOM 0 HD2 ARG A 25 16.841 -18.591 -19.936 1.00 1.10 H new ATOM 0 HD3 ARG A 25 15.141 -18.850 -19.601 1.00 1.10 H new ATOM 0 HE ARG A 25 14.817 -19.627 -21.784 1.00 14.51 H new ATOM 0 HH11 ARG A 25 17.965 -18.063 -21.453 1.00 4.04 H new ATOM 0 HH12 ARG A 25 18.533 -18.614 -23.033 1.00 4.04 H new ATOM 0 HH21 ARG A 25 15.554 -20.330 -23.812 1.00 71.15 H new ATOM 0 HH22 ARG A 25 17.175 -19.891 -24.363 1.00 71.15 H new ATOM 377 N TRP A 26 14.086 -13.957 -19.579 1.00 21.33 N ATOM 378 CA TRP A 26 12.813 -13.475 -20.102 1.00 11.24 C ATOM 379 C TRP A 26 12.690 -11.965 -19.930 1.00 12.14 C ATOM 380 O TRP A 26 11.730 -11.352 -20.397 1.00 65.35 O ATOM 381 CB TRP A 26 11.650 -14.177 -19.398 1.00 62.44 C ATOM 382 CG TRP A 26 11.876 -15.646 -19.200 1.00 50.52 C ATOM 383 CD1 TRP A 26 12.327 -16.260 -18.068 1.00 3.34 C ATOM 384 CD2 TRP A 26 11.661 -16.683 -20.164 1.00 24.03 C ATOM 385 NE1 TRP A 26 12.407 -17.617 -18.268 1.00 52.52 N ATOM 386 CE2 TRP A 26 12.003 -17.901 -19.546 1.00 21.43 C ATOM 387 CE3 TRP A 26 11.211 -16.701 -21.487 1.00 45.11 C ATOM 388 CZ2 TRP A 26 11.910 -19.123 -20.208 1.00 0.31 C ATOM 389 CZ3 TRP A 26 11.120 -17.914 -22.143 1.00 40.20 C ATOM 390 CH2 TRP A 26 11.467 -19.112 -21.503 1.00 42.31 C ATOM 0 H TRP A 26 14.091 -14.128 -18.574 1.00 21.33 H new ATOM 0 HA TRP A 26 12.776 -13.705 -21.167 1.00 11.24 H new ATOM 0 HB2 TRP A 26 11.485 -13.708 -18.428 1.00 62.44 H new ATOM 0 HB3 TRP A 26 10.741 -14.032 -19.981 1.00 62.44 H new ATOM 0 HD1 TRP A 26 12.584 -15.753 -17.149 1.00 3.34 H new ATOM 0 HE1 TRP A 26 12.717 -18.301 -17.578 1.00 52.52 H new ATOM 0 HE3 TRP A 26 10.939 -15.783 -21.988 1.00 45.11 H new ATOM 0 HZ2 TRP A 26 12.178 -20.047 -19.717 1.00 0.31 H new ATOM 0 HZ3 TRP A 26 10.776 -17.939 -23.166 1.00 40.20 H new ATOM 0 HH2 TRP A 26 11.383 -20.044 -22.042 1.00 42.31 H new ATOM 401 N LYS A 27 13.667 -11.369 -19.255 1.00 43.14 N ATOM 402 CA LYS A 27 13.671 -9.930 -19.021 1.00 71.25 C ATOM 403 C LYS A 27 12.572 -9.536 -18.039 1.00 75.02 C ATOM 404 O LYS A 27 12.100 -8.399 -18.045 1.00 43.34 O ATOM 405 CB LYS A 27 13.483 -9.179 -20.341 1.00 41.51 C ATOM 406 CG LYS A 27 14.302 -9.748 -21.487 1.00 33.01 C ATOM 407 CD LYS A 27 15.784 -9.773 -21.155 1.00 24.01 C ATOM 408 CE LYS A 27 16.593 -10.428 -22.264 1.00 21.54 C ATOM 409 NZ LYS A 27 16.629 -9.590 -23.494 1.00 72.21 N1+ ATOM 0 H LYS A 27 14.468 -11.862 -18.860 1.00 43.14 H new ATOM 0 HA LYS A 27 14.634 -9.659 -18.589 1.00 71.25 H new ATOM 0 HB2 LYS A 27 12.428 -9.200 -20.614 1.00 41.51 H new ATOM 0 HB3 LYS A 27 13.754 -8.133 -20.196 1.00 41.51 H new ATOM 0 HG2 LYS A 27 13.962 -10.759 -21.712 1.00 33.01 H new ATOM 0 HG3 LYS A 27 14.139 -9.150 -22.384 1.00 33.01 H new ATOM 0 HD2 LYS A 27 16.140 -8.755 -20.997 1.00 24.01 H new ATOM 0 HD3 LYS A 27 15.940 -10.314 -20.222 1.00 24.01 H new ATOM 0 HE2 LYS A 27 17.610 -10.605 -21.915 1.00 21.54 H new ATOM 0 HE3 LYS A 27 16.163 -11.401 -22.500 1.00 21.54 H new ATOM 0 HZ1 LYS A 27 17.245 -10.039 -24.202 1.00 72.21 H new ATOM 0 HZ2 LYS A 27 15.668 -9.498 -23.880 1.00 72.21 H new ATOM 0 HZ3 LYS A 27 17.000 -8.647 -23.261 1.00 72.21 H new ATOM 423 N TRP A 28 12.171 -10.481 -17.198 1.00 25.15 N ATOM 424 CA TRP A 28 11.129 -10.231 -16.208 1.00 74.44 C ATOM 425 C TRP A 28 11.103 -11.332 -15.154 1.00 44.12 C ATOM 426 O TRP A 28 11.740 -12.374 -15.315 1.00 32.41 O ATOM 427 CB TRP A 28 9.763 -10.129 -16.891 1.00 20.43 C ATOM 428 CG TRP A 28 9.378 -11.370 -17.637 1.00 62.43 C ATOM 429 CD1 TRP A 28 9.291 -12.637 -17.132 1.00 11.34 C ATOM 430 CD2 TRP A 28 9.032 -11.465 -19.022 1.00 52.54 C ATOM 431 NE1 TRP A 28 8.910 -13.512 -18.120 1.00 72.13 N ATOM 432 CE2 TRP A 28 8.744 -12.818 -19.290 1.00 45.42 C ATOM 433 CE3 TRP A 28 8.934 -10.537 -20.063 1.00 64.25 C ATOM 434 CZ2 TRP A 28 8.368 -13.263 -20.555 1.00 13.35 C ATOM 435 CZ3 TRP A 28 8.561 -10.981 -21.318 1.00 13.32 C ATOM 436 CH2 TRP A 28 8.281 -12.333 -21.554 1.00 71.13 C ATOM 0 H TRP A 28 12.551 -11.427 -17.181 1.00 25.15 H new ATOM 0 HA TRP A 28 11.352 -9.286 -15.713 1.00 74.44 H new ATOM 0 HB2 TRP A 28 9.004 -9.916 -16.139 1.00 20.43 H new ATOM 0 HB3 TRP A 28 9.772 -9.286 -17.582 1.00 20.43 H new ATOM 0 HD1 TRP A 28 9.492 -12.910 -16.107 1.00 11.34 H new ATOM 0 HE1 TRP A 28 8.773 -14.516 -18.002 1.00 72.13 H new ATOM 0 HE3 TRP A 28 9.146 -9.492 -19.890 1.00 64.25 H new ATOM 0 HZ2 TRP A 28 8.153 -14.305 -20.740 1.00 13.35 H new ATOM 0 HZ3 TRP A 28 8.484 -10.273 -22.130 1.00 13.32 H new ATOM 0 HH2 TRP A 28 7.990 -12.648 -22.545 1.00 71.13 H new ATOM 447 N CYS A 29 10.364 -11.096 -14.076 1.00 34.14 N ATOM 448 CA CYS A 29 10.255 -12.068 -12.994 1.00 4.32 C ATOM 449 C CYS A 29 9.464 -13.293 -13.441 1.00 65.42 C ATOM 450 O CYS A 29 8.438 -13.173 -14.109 1.00 54.55 O ATOM 451 CB CYS A 29 9.585 -11.432 -11.774 1.00 2.32 C ATOM 452 SG CYS A 29 10.755 -10.790 -10.534 1.00 13.01 S ATOM 0 H CYS A 29 9.831 -10.239 -13.928 1.00 34.14 H new ATOM 0 HA CYS A 29 11.262 -12.386 -12.723 1.00 4.32 H new ATOM 0 HB2 CYS A 29 8.943 -10.617 -12.109 1.00 2.32 H new ATOM 0 HB3 CYS A 29 8.940 -12.172 -11.300 1.00 2.32 H new ATOM 457 N VAL A 30 9.950 -14.473 -13.067 1.00 54.32 N ATOM 458 CA VAL A 30 9.288 -15.721 -13.428 1.00 70.23 C ATOM 459 C VAL A 30 9.016 -16.575 -12.195 1.00 25.44 C ATOM 460 O VAL A 30 9.721 -16.477 -11.190 1.00 2.32 O ATOM 461 CB VAL A 30 10.132 -16.535 -14.427 1.00 41.32 C ATOM 462 CG1 VAL A 30 10.113 -15.881 -15.800 1.00 55.45 C ATOM 463 CG2 VAL A 30 11.559 -16.686 -13.921 1.00 33.45 C ATOM 0 H VAL A 30 10.799 -14.590 -12.515 1.00 54.32 H new ATOM 0 HA VAL A 30 8.341 -15.453 -13.897 1.00 70.23 H new ATOM 0 HB VAL A 30 9.695 -17.529 -14.518 1.00 41.32 H new ATOM 0 HG11 VAL A 30 10.715 -16.470 -16.492 1.00 55.45 H new ATOM 0 HG12 VAL A 30 9.087 -15.829 -16.164 1.00 55.45 H new ATOM 0 HG13 VAL A 30 10.524 -14.874 -15.729 1.00 55.45 H new ATOM 0 HG21 VAL A 30 12.141 -17.264 -14.639 1.00 33.45 H new ATOM 0 HG22 VAL A 30 12.008 -15.700 -13.799 1.00 33.45 H new ATOM 0 HG23 VAL A 30 11.552 -17.202 -12.961 1.00 33.45 H new ATOM 473 N LEU A 31 7.990 -17.415 -12.279 1.00 4.15 N ATOM 474 CA LEU A 31 7.625 -18.289 -11.169 1.00 75.23 C ATOM 475 C LEU A 31 8.818 -19.125 -10.718 1.00 50.02 C ATOM 476 O LEU A 31 9.295 -19.989 -11.454 1.00 22.54 O ATOM 477 CB LEU A 31 6.469 -19.205 -11.575 1.00 61.45 C ATOM 478 CG LEU A 31 5.086 -18.811 -11.057 1.00 2.24 C ATOM 479 CD1 LEU A 31 5.050 -18.866 -9.537 1.00 35.22 C ATOM 480 CD2 LEU A 31 4.707 -17.423 -11.551 1.00 41.33 C ATOM 0 H LEU A 31 7.397 -17.509 -13.103 1.00 4.15 H new ATOM 0 HA LEU A 31 7.309 -17.663 -10.335 1.00 75.23 H new ATOM 0 HB2 LEU A 31 6.429 -19.245 -12.664 1.00 61.45 H new ATOM 0 HB3 LEU A 31 6.692 -20.214 -11.227 1.00 61.45 H new ATOM 0 HG LEU A 31 4.358 -19.524 -11.444 1.00 2.24 H new ATOM 0 HD11 LEU A 31 4.058 -18.582 -9.186 1.00 35.22 H new ATOM 0 HD12 LEU A 31 5.277 -19.879 -9.204 1.00 35.22 H new ATOM 0 HD13 LEU A 31 5.790 -18.176 -9.130 1.00 35.22 H new ATOM 0 HD21 LEU A 31 3.719 -17.159 -11.172 1.00 41.33 H new ATOM 0 HD22 LEU A 31 5.438 -16.698 -11.194 1.00 41.33 H new ATOM 0 HD23 LEU A 31 4.691 -17.416 -12.641 1.00 41.33 H new ATOM 492 N ALA A 32 9.293 -18.864 -9.506 1.00 4.33 N ATOM 493 CA ALA A 32 10.428 -19.595 -8.956 1.00 15.15 C ATOM 494 C ALA A 32 10.099 -21.075 -8.790 1.00 55.54 C ATOM 495 O ALA A 32 8.946 -21.443 -8.568 1.00 73.11 O ATOM 496 CB ALA A 32 10.848 -18.993 -7.622 1.00 71.52 C ATOM 0 H ALA A 32 8.910 -18.151 -8.885 1.00 4.33 H new ATOM 0 HA ALA A 32 11.258 -19.510 -9.658 1.00 15.15 H new ATOM 0 HB1 ALA A 32 11.696 -19.549 -7.223 1.00 71.52 H new ATOM 0 HB2 ALA A 32 11.133 -17.951 -7.767 1.00 71.52 H new ATOM 0 HB3 ALA A 32 10.016 -19.048 -6.920 1.00 71.52 H new ATOM 502 N SER A 33 11.119 -21.920 -8.901 1.00 5.52 N ATOM 503 CA SER A 33 10.937 -23.360 -8.769 1.00 3.12 C ATOM 504 C SER A 33 10.737 -23.750 -7.308 1.00 20.44 C ATOM 505 O SER A 33 11.079 -23.007 -6.387 1.00 14.20 O ATOM 506 CB SER A 33 12.144 -24.104 -9.346 1.00 12.34 C ATOM 507 OG SER A 33 11.965 -24.370 -10.726 1.00 42.23 O ATOM 0 H SER A 33 12.080 -21.632 -9.082 1.00 5.52 H new ATOM 0 HA SER A 33 10.045 -23.641 -9.328 1.00 3.12 H new ATOM 0 HB2 SER A 33 13.046 -23.509 -9.201 1.00 12.34 H new ATOM 0 HB3 SER A 33 12.290 -25.040 -8.808 1.00 12.34 H new ATOM 0 HG SER A 33 12.750 -24.844 -11.072 1.00 42.23 H new ATOM 513 N PRO A 34 10.168 -24.945 -7.087 1.00 13.32 N ATOM 514 CA PRO A 34 9.909 -25.463 -5.740 1.00 50.50 C ATOM 515 C PRO A 34 11.193 -25.828 -5.003 1.00 43.10 C ATOM 516 O PRO A 34 11.207 -25.939 -3.777 1.00 12.32 O ATOM 517 CB PRO A 34 9.065 -26.713 -5.997 1.00 41.21 C ATOM 518 CG PRO A 34 9.436 -27.144 -7.374 1.00 4.12 C ATOM 519 CD PRO A 34 9.735 -25.883 -8.136 1.00 51.01 C ATOM 0 HA PRO A 34 9.418 -24.724 -5.106 1.00 50.50 H new ATOM 0 HB2 PRO A 34 9.280 -27.493 -5.267 1.00 41.21 H new ATOM 0 HB3 PRO A 34 8.000 -26.493 -5.924 1.00 41.21 H new ATOM 0 HG2 PRO A 34 10.303 -27.804 -7.356 1.00 4.12 H new ATOM 0 HG3 PRO A 34 8.623 -27.699 -7.842 1.00 4.12 H new ATOM 0 HD2 PRO A 34 10.514 -26.039 -8.882 1.00 51.01 H new ATOM 0 HD3 PRO A 34 8.856 -25.516 -8.666 1.00 51.01 H new ATOM 527 N PHE A 35 12.270 -26.013 -5.757 1.00 64.13 N ATOM 528 CA PHE A 35 13.560 -26.367 -5.175 1.00 72.03 C ATOM 529 C PHE A 35 14.294 -25.124 -4.683 1.00 44.31 C ATOM 530 O PHE A 35 14.004 -24.008 -5.115 1.00 62.35 O ATOM 531 CB PHE A 35 14.421 -27.109 -6.200 1.00 53.23 C ATOM 532 CG PHE A 35 13.906 -28.480 -6.533 1.00 63.23 C ATOM 533 CD1 PHE A 35 13.988 -29.509 -5.609 1.00 33.02 C ATOM 534 CD2 PHE A 35 13.341 -28.741 -7.772 1.00 5.32 C ATOM 535 CE1 PHE A 35 13.516 -30.772 -5.914 1.00 33.23 C ATOM 536 CE2 PHE A 35 12.868 -30.002 -8.082 1.00 42.13 C ATOM 537 CZ PHE A 35 12.954 -31.019 -7.151 1.00 1.41 C ATOM 0 H PHE A 35 12.276 -25.924 -6.773 1.00 64.13 H new ATOM 0 HA PHE A 35 13.378 -27.022 -4.323 1.00 72.03 H new ATOM 0 HB2 PHE A 35 14.475 -26.518 -7.114 1.00 53.23 H new ATOM 0 HB3 PHE A 35 15.437 -27.195 -5.815 1.00 53.23 H new ATOM 0 HD1 PHE A 35 14.426 -29.322 -4.639 1.00 33.02 H new ATOM 0 HD2 PHE A 35 13.270 -27.950 -8.503 1.00 5.32 H new ATOM 0 HE1 PHE A 35 13.587 -31.566 -5.185 1.00 33.23 H new ATOM 0 HE2 PHE A 35 12.431 -30.192 -9.051 1.00 42.13 H new ATOM 0 HZ PHE A 35 12.583 -32.005 -7.390 1.00 1.41 H new TER 547 PHE A 35