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+ -169:sc= -0.0367 (180deg=-0.292) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0758) 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+ -123:sc= -0.35 (180deg=-1.72!) USER MOD Single : A 12 ASN : amide:sc= -0.764 K(o=-0.76,f=-3.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0104 K(o=-0.01,f=-1.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -150:sc= -0.16 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.165 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.842 1.193 -2.458 1.00 52.43 N ATOM 2 CA SER A 1 2.813 0.092 -1.503 1.00 24.24 C ATOM 3 C SER A 1 2.750 -1.251 -2.225 1.00 44.41 C ATOM 4 O SER A 1 3.198 -2.270 -1.701 1.00 73.41 O ATOM 5 CB SER A 1 1.616 0.234 -0.563 1.00 3.13 C ATOM 6 OG SER A 1 1.713 1.416 0.212 1.00 33.44 O ATOM 0 H1 SER A 1 3.071 2.077 -1.961 1.00 52.43 H new ATOM 0 H2 SER A 1 3.564 1.005 -3.182 1.00 52.43 H new ATOM 0 H3 SER A 1 1.911 1.283 -2.913 1.00 52.43 H new ATOM 0 HA SER A 1 3.731 0.128 -0.917 1.00 24.24 H new ATOM 0 HB2 SER A 1 0.694 0.251 -1.144 1.00 3.13 H new ATOM 0 HB3 SER A 1 1.562 -0.633 0.096 1.00 3.13 H new ATOM 0 HG SER A 1 0.935 1.484 0.804 1.00 33.44 H new ATOM 12 N GLU A 2 2.191 -1.242 -3.431 1.00 41.25 N ATOM 13 CA GLU A 2 2.069 -2.459 -4.225 1.00 73.01 C ATOM 14 C GLU A 2 3.434 -3.101 -4.450 1.00 11.12 C ATOM 15 O GLU A 2 4.466 -2.541 -4.078 1.00 60.40 O ATOM 16 CB GLU A 2 1.409 -2.152 -5.571 1.00 23.35 C ATOM 17 CG GLU A 2 2.225 -1.220 -6.450 1.00 11.21 C ATOM 18 CD GLU A 2 1.944 0.243 -6.168 1.00 4.33 C ATOM 19 OE1 GLU A 2 0.773 0.658 -6.300 1.00 41.33 O1- ATOM 20 OE2 GLU A 2 2.893 0.972 -5.814 1.00 33.02 O ATOM 0 H GLU A 2 1.816 -0.406 -3.879 1.00 41.25 H new ATOM 0 HA GLU A 2 1.444 -3.161 -3.673 1.00 73.01 H new ATOM 0 HB2 GLU A 2 1.241 -3.087 -6.105 1.00 23.35 H new ATOM 0 HB3 GLU A 2 0.430 -1.706 -5.393 1.00 23.35 H new ATOM 0 HG2 GLU A 2 3.286 -1.418 -6.297 1.00 11.21 H new ATOM 0 HG3 GLU A 2 2.009 -1.432 -7.497 1.00 11.21 H new ATOM 27 N CYS A 3 3.433 -4.281 -5.061 1.00 42.14 N ATOM 28 CA CYS A 3 4.670 -5.001 -5.337 1.00 42.15 C ATOM 29 C CYS A 3 4.729 -5.445 -6.796 1.00 30.34 C ATOM 30 O CYS A 3 3.839 -5.135 -7.586 1.00 64.22 O ATOM 31 CB CYS A 3 4.791 -6.218 -4.417 1.00 34.30 C ATOM 32 SG CYS A 3 3.272 -7.216 -4.299 1.00 72.02 S ATOM 0 H CYS A 3 2.588 -4.759 -5.375 1.00 42.14 H new ATOM 0 HA CYS A 3 5.504 -4.325 -5.148 1.00 42.15 H new ATOM 0 HB2 CYS A 3 5.602 -6.852 -4.776 1.00 34.30 H new ATOM 0 HB3 CYS A 3 5.069 -5.879 -3.419 1.00 34.30 H new ATOM 37 N GLY A 4 5.784 -6.175 -7.145 1.00 4.44 N ATOM 38 CA GLY A 4 5.939 -6.651 -8.507 1.00 13.42 C ATOM 39 C GLY A 4 4.848 -7.623 -8.910 1.00 43.02 C ATOM 40 O GLY A 4 3.755 -7.612 -8.344 1.00 51.20 O ATOM 0 H GLY A 4 6.534 -6.445 -6.509 1.00 4.44 H new ATOM 0 HA2 GLY A 4 5.933 -5.800 -9.189 1.00 13.42 H new ATOM 0 HA3 GLY A 4 6.910 -7.136 -8.611 1.00 13.42 H new ATOM 44 N LYS A 5 5.144 -8.468 -9.892 1.00 14.14 N ATOM 45 CA LYS A 5 4.181 -9.452 -10.371 1.00 71.53 C ATOM 46 C LYS A 5 4.843 -10.439 -11.328 1.00 3.13 C ATOM 47 O LYS A 5 6.000 -10.265 -11.714 1.00 70.30 O ATOM 48 CB LYS A 5 3.013 -8.754 -11.070 1.00 45.22 C ATOM 49 CG LYS A 5 1.651 -9.183 -10.551 1.00 15.10 C ATOM 50 CD LYS A 5 0.579 -9.051 -11.620 1.00 72.00 C ATOM 51 CE LYS A 5 -0.439 -7.980 -11.258 1.00 3.34 C ATOM 52 NZ LYS A 5 -1.479 -7.826 -12.313 1.00 33.12 N1+ ATOM 0 H LYS A 5 6.044 -8.491 -10.372 1.00 14.14 H new ATOM 0 HA LYS A 5 3.804 -10.004 -9.510 1.00 71.53 H new ATOM 0 HB2 LYS A 5 3.117 -7.676 -10.945 1.00 45.22 H new ATOM 0 HB3 LYS A 5 3.066 -8.958 -12.139 1.00 45.22 H new ATOM 0 HG2 LYS A 5 1.700 -10.217 -10.210 1.00 15.10 H new ATOM 0 HG3 LYS A 5 1.382 -8.575 -9.688 1.00 15.10 H new ATOM 0 HD2 LYS A 5 1.044 -8.805 -12.575 1.00 72.00 H new ATOM 0 HD3 LYS A 5 0.072 -10.007 -11.749 1.00 72.00 H new ATOM 0 HE2 LYS A 5 -0.916 -8.237 -10.312 1.00 3.34 H new ATOM 0 HE3 LYS A 5 0.072 -7.029 -11.109 1.00 3.34 H new ATOM 0 HZ1 LYS A 5 -2.041 -6.971 -12.125 1.00 33.12 H new ATOM 0 HZ2 LYS A 5 -1.021 -7.741 -13.243 1.00 33.12 H new ATOM 0 HZ3 LYS A 5 -2.103 -8.658 -12.309 1.00 33.12 H new ATOM 66 N PHE A 6 4.102 -11.475 -11.710 1.00 1.44 N ATOM 67 CA PHE A 6 4.616 -12.489 -12.622 1.00 43.32 C ATOM 68 C PHE A 6 4.673 -11.956 -14.050 1.00 62.05 C ATOM 69 O PHE A 6 3.797 -11.207 -14.480 1.00 70.24 O ATOM 70 CB PHE A 6 3.743 -13.744 -12.568 1.00 24.12 C ATOM 71 CG PHE A 6 4.087 -14.759 -13.620 1.00 13.53 C ATOM 72 CD1 PHE A 6 5.386 -15.223 -13.755 1.00 75.24 C ATOM 73 CD2 PHE A 6 3.112 -15.249 -14.474 1.00 30.22 C ATOM 74 CE1 PHE A 6 5.706 -16.157 -14.724 1.00 25.35 C ATOM 75 CE2 PHE A 6 3.426 -16.183 -15.444 1.00 72.54 C ATOM 76 CZ PHE A 6 4.723 -16.638 -15.568 1.00 32.12 C ATOM 0 H PHE A 6 3.143 -11.634 -11.401 1.00 1.44 H new ATOM 0 HA PHE A 6 5.628 -12.746 -12.308 1.00 43.32 H new ATOM 0 HB2 PHE A 6 3.842 -14.204 -11.585 1.00 24.12 H new ATOM 0 HB3 PHE A 6 2.698 -13.455 -12.681 1.00 24.12 H new ATOM 0 HD1 PHE A 6 6.157 -14.851 -13.096 1.00 75.24 H new ATOM 0 HD2 PHE A 6 2.095 -14.897 -14.381 1.00 30.22 H new ATOM 0 HE1 PHE A 6 6.722 -16.510 -14.821 1.00 25.35 H new ATOM 0 HE2 PHE A 6 2.657 -16.556 -16.104 1.00 72.54 H new ATOM 0 HZ PHE A 6 4.970 -17.369 -16.324 1.00 32.12 H new ATOM 86 N MET A 7 5.713 -12.348 -14.782 1.00 43.35 N ATOM 87 CA MET A 7 5.884 -11.911 -16.161 1.00 21.13 C ATOM 88 C MET A 7 6.040 -10.396 -16.236 1.00 62.32 C ATOM 89 O MET A 7 5.818 -9.791 -17.285 1.00 44.50 O ATOM 90 CB MET A 7 4.693 -12.356 -17.012 1.00 61.22 C ATOM 91 CG MET A 7 4.994 -13.550 -17.903 1.00 50.33 C ATOM 92 SD MET A 7 3.856 -13.682 -19.295 1.00 74.33 S ATOM 93 CE MET A 7 4.478 -15.155 -20.103 1.00 44.25 C ATOM 0 H MET A 7 6.449 -12.967 -14.441 1.00 43.35 H new ATOM 0 HA MET A 7 6.792 -12.372 -16.551 1.00 21.13 H new ATOM 0 HB2 MET A 7 3.860 -12.605 -16.354 1.00 61.22 H new ATOM 0 HB3 MET A 7 4.370 -11.521 -17.634 1.00 61.22 H new ATOM 0 HG2 MET A 7 6.014 -13.470 -18.279 1.00 50.33 H new ATOM 0 HG3 MET A 7 4.944 -14.463 -17.310 1.00 50.33 H new ATOM 0 HE1 MET A 7 3.875 -15.368 -20.986 1.00 44.25 H new ATOM 0 HE2 MET A 7 5.514 -14.996 -20.401 1.00 44.25 H new ATOM 0 HE3 MET A 7 4.424 -15.998 -19.414 1.00 44.25 H new ATOM 103 N TRP A 8 6.422 -9.789 -15.119 1.00 34.43 N ATOM 104 CA TRP A 8 6.607 -8.344 -15.059 1.00 22.41 C ATOM 105 C TRP A 8 8.088 -7.985 -15.024 1.00 34.33 C ATOM 106 O TRP A 8 8.848 -8.519 -14.215 1.00 51.25 O ATOM 107 CB TRP A 8 5.901 -7.769 -13.829 1.00 44.33 C ATOM 108 CG TRP A 8 4.424 -7.603 -14.015 1.00 72.12 C ATOM 109 CD1 TRP A 8 3.613 -8.337 -14.834 1.00 44.44 C ATOM 110 CD2 TRP A 8 3.581 -6.641 -13.371 1.00 51.33 C ATOM 111 NE1 TRP A 8 2.317 -7.889 -14.738 1.00 14.23 N ATOM 112 CE2 TRP A 8 2.271 -6.850 -13.846 1.00 53.53 C ATOM 113 CE3 TRP A 8 3.806 -5.625 -12.439 1.00 73.15 C ATOM 114 CZ2 TRP A 8 1.194 -6.079 -13.419 1.00 54.31 C ATOM 115 CZ3 TRP A 8 2.734 -4.861 -12.016 1.00 13.31 C ATOM 116 CH2 TRP A 8 1.442 -5.091 -12.506 1.00 23.11 C ATOM 0 H TRP A 8 6.610 -10.275 -14.242 1.00 34.43 H new ATOM 0 HA TRP A 8 6.169 -7.910 -15.957 1.00 22.41 H new ATOM 0 HB2 TRP A 8 6.081 -8.424 -12.976 1.00 44.33 H new ATOM 0 HB3 TRP A 8 6.340 -6.801 -13.586 1.00 44.33 H new ATOM 0 HD1 TRP A 8 3.942 -9.150 -15.464 1.00 44.44 H new ATOM 0 HE1 TRP A 8 1.519 -8.268 -15.248 1.00 14.23 H new ATOM 0 HE3 TRP A 8 4.799 -5.440 -12.056 1.00 73.15 H new ATOM 0 HZ2 TRP A 8 0.197 -6.255 -13.795 1.00 54.31 H new ATOM 0 HZ3 TRP A 8 2.896 -4.073 -11.295 1.00 13.31 H new ATOM 0 HH2 TRP A 8 0.626 -4.476 -12.156 1.00 23.11 H new ATOM 127 N LYS A 9 8.494 -7.078 -15.906 1.00 21.41 N ATOM 128 CA LYS A 9 9.885 -6.646 -15.975 1.00 71.24 C ATOM 129 C LYS A 9 10.399 -6.242 -14.597 1.00 45.12 C ATOM 130 O LYS A 9 9.635 -5.780 -13.750 1.00 22.42 O ATOM 131 CB LYS A 9 10.029 -5.475 -16.949 1.00 71.41 C ATOM 132 CG LYS A 9 9.954 -5.885 -18.410 1.00 42.53 C ATOM 133 CD LYS A 9 8.520 -5.898 -18.913 1.00 21.25 C ATOM 134 CE LYS A 9 8.463 -5.994 -20.430 1.00 65.14 C ATOM 135 NZ LYS A 9 7.060 -6.039 -20.929 1.00 63.20 N1+ ATOM 0 H LYS A 9 7.879 -6.627 -16.584 1.00 21.41 H new ATOM 0 HA LYS A 9 10.482 -7.484 -16.334 1.00 71.24 H new ATOM 0 HB2 LYS A 9 9.246 -4.745 -16.745 1.00 71.41 H new ATOM 0 HB3 LYS A 9 10.982 -4.978 -16.768 1.00 71.41 H new ATOM 0 HG2 LYS A 9 10.546 -5.196 -19.013 1.00 42.53 H new ATOM 0 HG3 LYS A 9 10.393 -6.875 -18.534 1.00 42.53 H new ATOM 0 HD2 LYS A 9 7.987 -6.741 -18.474 1.00 21.25 H new ATOM 0 HD3 LYS A 9 8.010 -4.992 -18.585 1.00 21.25 H new ATOM 0 HE2 LYS A 9 8.977 -5.139 -20.868 1.00 65.14 H new ATOM 0 HE3 LYS A 9 8.994 -6.887 -20.758 1.00 65.14 H new ATOM 0 HZ1 LYS A 9 7.063 -6.104 -21.967 1.00 63.20 H new ATOM 0 HZ2 LYS A 9 6.576 -6.869 -20.531 1.00 63.20 H new ATOM 0 HZ3 LYS A 9 6.560 -5.175 -20.638 1.00 63.20 H new ATOM 149 N CYS A 10 11.699 -6.416 -14.381 1.00 44.41 N ATOM 150 CA CYS A 10 12.315 -6.068 -13.106 1.00 52.21 C ATOM 151 C CYS A 10 13.814 -5.834 -13.273 1.00 12.32 C ATOM 152 O CYS A 10 14.481 -6.528 -14.041 1.00 13.12 O ATOM 153 CB CYS A 10 12.072 -7.176 -12.080 1.00 5.43 C ATOM 154 SG CYS A 10 12.967 -8.723 -12.429 1.00 71.00 S ATOM 0 H CYS A 10 12.346 -6.796 -15.072 1.00 44.41 H new ATOM 0 HA CYS A 10 11.858 -5.145 -12.749 1.00 52.21 H new ATOM 0 HB2 CYS A 10 12.365 -6.814 -11.094 1.00 5.43 H new ATOM 0 HB3 CYS A 10 11.004 -7.389 -12.037 1.00 5.43 H new ATOM 159 N LYS A 11 14.338 -4.851 -12.549 1.00 64.42 N ATOM 160 CA LYS A 11 15.757 -4.525 -12.613 1.00 41.35 C ATOM 161 C LYS A 11 16.552 -5.349 -11.606 1.00 30.14 C ATOM 162 O LYS A 11 17.780 -5.401 -11.663 1.00 31.31 O ATOM 163 CB LYS A 11 15.971 -3.033 -12.348 1.00 1.10 C ATOM 164 CG LYS A 11 15.380 -2.557 -11.032 1.00 23.24 C ATOM 165 CD LYS A 11 15.689 -1.092 -10.779 1.00 22.43 C ATOM 166 CE LYS A 11 14.989 -0.193 -11.785 1.00 23.11 C ATOM 167 NZ LYS A 11 15.828 0.052 -12.990 1.00 11.12 N1+ ATOM 0 H LYS A 11 13.800 -4.266 -11.910 1.00 64.42 H new ATOM 0 HA LYS A 11 16.114 -4.766 -13.615 1.00 41.35 H new ATOM 0 HB2 LYS A 11 17.040 -2.821 -12.354 1.00 1.10 H new ATOM 0 HB3 LYS A 11 15.528 -2.461 -13.163 1.00 1.10 H new ATOM 0 HG2 LYS A 11 14.300 -2.705 -11.042 1.00 23.24 H new ATOM 0 HG3 LYS A 11 15.777 -3.160 -10.215 1.00 23.24 H new ATOM 0 HD2 LYS A 11 15.377 -0.822 -9.770 1.00 22.43 H new ATOM 0 HD3 LYS A 11 16.766 -0.932 -10.834 1.00 22.43 H new ATOM 0 HE2 LYS A 11 14.046 -0.650 -12.086 1.00 23.11 H new ATOM 0 HE3 LYS A 11 14.745 0.759 -11.313 1.00 23.11 H new ATOM 0 HZ1 LYS A 11 15.965 1.075 -13.115 1.00 11.12 H new ATOM 0 HZ2 LYS A 11 16.752 -0.409 -12.869 1.00 11.12 H new ATOM 0 HZ3 LYS A 11 15.353 -0.339 -13.829 1.00 11.12 H new ATOM 181 N ASN A 12 15.843 -5.994 -10.685 1.00 51.45 N ATOM 182 CA ASN A 12 16.482 -6.818 -9.666 1.00 3.12 C ATOM 183 C ASN A 12 15.481 -7.784 -9.040 1.00 14.41 C ATOM 184 O ASN A 12 14.302 -7.789 -9.394 1.00 45.02 O ATOM 185 CB ASN A 12 17.101 -5.934 -8.581 1.00 2.42 C ATOM 186 CG ASN A 12 16.188 -4.796 -8.172 1.00 32.43 C ATOM 187 OD1 ASN A 12 14.968 -4.953 -8.115 1.00 31.00 O ATOM 188 ND2 ASN A 12 16.775 -3.640 -7.884 1.00 73.25 N ATOM 0 H ASN A 12 14.825 -5.962 -10.624 1.00 51.45 H new ATOM 0 HA ASN A 12 17.269 -7.399 -10.146 1.00 3.12 H new ATOM 0 HB2 ASN A 12 17.331 -6.544 -7.707 1.00 2.42 H new ATOM 0 HB3 ASN A 12 18.045 -5.527 -8.943 1.00 2.42 H new ATOM 0 HD21 ASN A 12 16.211 -2.838 -7.602 1.00 73.25 H new ATOM 0 HD22 ASN A 12 17.790 -3.554 -7.944 1.00 73.25 H new ATOM 195 N SER A 13 15.960 -8.601 -8.107 1.00 15.42 N ATOM 196 CA SER A 13 15.107 -9.574 -7.434 1.00 2.01 C ATOM 197 C SER A 13 14.248 -8.900 -6.369 1.00 64.12 C ATOM 198 O SER A 13 13.345 -9.514 -5.804 1.00 55.22 O ATOM 199 CB SER A 13 15.959 -10.674 -6.795 1.00 4.24 C ATOM 200 OG SER A 13 16.283 -10.353 -5.454 1.00 14.12 O ATOM 0 H SER A 13 16.933 -8.609 -7.800 1.00 15.42 H new ATOM 0 HA SER A 13 14.448 -10.019 -8.180 1.00 2.01 H new ATOM 0 HB2 SER A 13 15.419 -11.620 -6.826 1.00 4.24 H new ATOM 0 HB3 SER A 13 16.874 -10.810 -7.371 1.00 4.24 H new ATOM 0 HG SER A 13 16.826 -11.072 -5.068 1.00 14.12 H new ATOM 206 N ASN A 14 14.537 -7.630 -6.102 1.00 2.51 N ATOM 207 CA ASN A 14 13.791 -6.870 -5.105 1.00 2.11 C ATOM 208 C ASN A 14 12.398 -6.519 -5.618 1.00 40.21 C ATOM 209 O ASN A 14 11.462 -6.349 -4.837 1.00 72.22 O ATOM 210 CB ASN A 14 14.548 -5.592 -4.736 1.00 71.03 C ATOM 211 CG ASN A 14 15.750 -5.866 -3.852 1.00 13.31 C ATOM 212 OD1 ASN A 14 15.931 -6.981 -3.361 1.00 35.41 O ATOM 213 ND2 ASN A 14 16.576 -4.849 -3.645 1.00 13.12 N ATOM 0 H ASN A 14 15.282 -7.106 -6.562 1.00 2.51 H new ATOM 0 HA ASN A 14 13.685 -7.491 -4.216 1.00 2.11 H new ATOM 0 HB2 ASN A 14 14.877 -5.092 -5.647 1.00 71.03 H new ATOM 0 HB3 ASN A 14 13.872 -4.908 -4.223 1.00 71.03 H new ATOM 0 HD21 ASN A 14 17.401 -4.973 -3.058 1.00 13.12 H new ATOM 0 HD22 ASN A 14 16.386 -3.943 -4.072 1.00 13.12 H new ATOM 220 N ASP A 15 12.270 -6.412 -6.936 1.00 65.41 N ATOM 221 CA ASP A 15 10.991 -6.082 -7.555 1.00 74.11 C ATOM 222 C ASP A 15 9.983 -7.210 -7.355 1.00 3.03 C ATOM 223 O ASP A 15 8.775 -6.977 -7.307 1.00 52.11 O ATOM 224 CB ASP A 15 11.178 -5.809 -9.048 1.00 34.42 C ATOM 225 CG ASP A 15 10.170 -4.812 -9.585 1.00 12.24 C ATOM 226 OD1 ASP A 15 9.906 -3.805 -8.896 1.00 30.12 O ATOM 227 OD2 ASP A 15 9.646 -5.039 -10.695 1.00 11.11 O1- ATOM 0 H ASP A 15 13.035 -6.549 -7.596 1.00 65.41 H new ATOM 0 HA ASP A 15 10.604 -5.183 -7.074 1.00 74.11 H new ATOM 0 HB2 ASP A 15 12.186 -5.432 -9.222 1.00 34.42 H new ATOM 0 HB3 ASP A 15 11.088 -6.745 -9.600 1.00 34.42 H new ATOM 232 N CYS A 16 10.488 -8.434 -7.239 1.00 23.35 N ATOM 233 CA CYS A 16 9.635 -9.599 -7.045 1.00 33.41 C ATOM 234 C CYS A 16 8.854 -9.491 -5.738 1.00 13.44 C ATOM 235 O CYS A 16 9.432 -9.269 -4.674 1.00 13.33 O ATOM 236 CB CYS A 16 10.473 -10.879 -7.046 1.00 65.34 C ATOM 237 SG CYS A 16 11.248 -11.258 -8.650 1.00 62.13 S ATOM 0 H CYS A 16 11.485 -8.644 -7.276 1.00 23.35 H new ATOM 0 HA CYS A 16 8.925 -9.638 -7.871 1.00 33.41 H new ATOM 0 HB2 CYS A 16 11.253 -10.791 -6.290 1.00 65.34 H new ATOM 0 HB3 CYS A 16 9.839 -11.716 -6.754 1.00 65.34 H new ATOM 242 N CYS A 17 7.538 -9.647 -5.826 1.00 51.51 N ATOM 243 CA CYS A 17 6.677 -9.567 -4.653 1.00 14.30 C ATOM 244 C CYS A 17 6.831 -10.810 -3.779 1.00 34.03 C ATOM 245 O CYS A 17 7.313 -10.732 -2.649 1.00 53.55 O ATOM 246 CB CYS A 17 5.215 -9.406 -5.076 1.00 32.13 C ATOM 247 SG CYS A 17 4.090 -8.971 -3.712 1.00 71.00 S ATOM 0 H CYS A 17 7.044 -9.830 -6.699 1.00 51.51 H new ATOM 0 HA CYS A 17 6.978 -8.695 -4.072 1.00 14.30 H new ATOM 0 HB2 CYS A 17 5.153 -8.635 -5.844 1.00 32.13 H new ATOM 0 HB3 CYS A 17 4.875 -10.336 -5.531 1.00 32.13 H new ATOM 252 N LYS A 18 6.418 -11.955 -4.311 1.00 2.41 N ATOM 253 CA LYS A 18 6.510 -13.215 -3.582 1.00 32.05 C ATOM 254 C LYS A 18 6.435 -14.402 -4.538 1.00 15.02 C ATOM 255 O LYS A 18 5.634 -14.408 -5.472 1.00 34.32 O ATOM 256 CB LYS A 18 5.391 -13.310 -2.543 1.00 73.25 C ATOM 257 CG LYS A 18 5.785 -14.078 -1.294 1.00 5.22 C ATOM 258 CD LYS A 18 6.837 -13.333 -0.490 1.00 54.05 C ATOM 259 CE LYS A 18 7.840 -14.289 0.137 1.00 51.15 C ATOM 260 NZ LYS A 18 8.367 -13.770 1.429 1.00 61.42 N1+ ATOM 0 H LYS A 18 6.016 -12.037 -5.245 1.00 2.41 H new ATOM 0 HA LYS A 18 7.473 -13.242 -3.072 1.00 32.05 H new ATOM 0 HB2 LYS A 18 5.084 -12.303 -2.259 1.00 73.25 H new ATOM 0 HB3 LYS A 18 4.525 -13.791 -2.997 1.00 73.25 H new ATOM 0 HG2 LYS A 18 4.903 -14.245 -0.675 1.00 5.22 H new ATOM 0 HG3 LYS A 18 6.168 -15.059 -1.575 1.00 5.22 H new ATOM 0 HD2 LYS A 18 7.360 -12.629 -1.137 1.00 54.05 H new ATOM 0 HD3 LYS A 18 6.352 -12.748 0.292 1.00 54.05 H new ATOM 0 HE2 LYS A 18 7.366 -15.257 0.301 1.00 51.15 H new ATOM 0 HE3 LYS A 18 8.667 -14.452 -0.554 1.00 51.15 H new ATOM 0 HZ1 LYS A 18 9.047 -14.450 1.825 1.00 61.42 H new ATOM 0 HZ2 LYS A 18 8.842 -12.858 1.269 1.00 61.42 H new ATOM 0 HZ3 LYS A 18 7.581 -13.639 2.097 1.00 61.42 H new ATOM 274 N ASP A 19 7.271 -15.404 -4.295 1.00 60.05 N ATOM 275 CA ASP A 19 7.298 -16.598 -5.132 1.00 34.00 C ATOM 276 C ASP A 19 7.755 -16.260 -6.547 1.00 62.31 C ATOM 277 O ASP A 19 7.522 -17.023 -7.486 1.00 74.31 O ATOM 278 CB ASP A 19 5.915 -17.249 -5.171 1.00 44.15 C ATOM 279 CG ASP A 19 5.259 -17.300 -3.806 1.00 0.10 C ATOM 280 OD1 ASP A 19 5.984 -17.495 -2.807 1.00 31.11 O ATOM 281 OD2 ASP A 19 4.022 -17.147 -3.735 1.00 21.34 O1- ATOM 0 H ASP A 19 7.940 -15.414 -3.525 1.00 60.05 H new ATOM 0 HA ASP A 19 8.010 -17.300 -4.698 1.00 34.00 H new ATOM 0 HB2 ASP A 19 5.275 -16.695 -5.858 1.00 44.15 H new ATOM 0 HB3 ASP A 19 6.004 -18.261 -5.566 1.00 44.15 H new ATOM 286 N LEU A 20 8.407 -15.111 -6.694 1.00 15.45 N ATOM 287 CA LEU A 20 8.897 -14.671 -7.996 1.00 3.34 C ATOM 288 C LEU A 20 10.404 -14.442 -7.961 1.00 15.22 C ATOM 289 O LEU A 20 10.976 -14.161 -6.908 1.00 54.12 O ATOM 290 CB LEU A 20 8.183 -13.386 -8.422 1.00 32.33 C ATOM 291 CG LEU A 20 6.908 -13.568 -9.245 1.00 1.30 C ATOM 292 CD1 LEU A 20 6.127 -14.779 -8.759 1.00 64.44 C ATOM 293 CD2 LEU A 20 6.048 -12.316 -9.180 1.00 74.21 C ATOM 0 H LEU A 20 8.608 -14.468 -5.928 1.00 15.45 H new ATOM 0 HA LEU A 20 8.685 -15.456 -8.722 1.00 3.34 H new ATOM 0 HB2 LEU A 20 7.935 -12.818 -7.526 1.00 32.33 H new ATOM 0 HB3 LEU A 20 8.881 -12.781 -9.000 1.00 32.33 H new ATOM 0 HG LEU A 20 7.191 -13.737 -10.284 1.00 1.30 H new ATOM 0 HD11 LEU A 20 5.223 -14.893 -9.357 1.00 64.44 H new ATOM 0 HD12 LEU A 20 6.743 -15.673 -8.859 1.00 64.44 H new ATOM 0 HD13 LEU A 20 5.855 -14.641 -7.713 1.00 64.44 H new ATOM 0 HD21 LEU A 20 5.145 -12.464 -9.772 1.00 74.21 H new ATOM 0 HD22 LEU A 20 5.774 -12.116 -8.144 1.00 74.21 H new ATOM 0 HD23 LEU A 20 6.607 -11.469 -9.578 1.00 74.21 H new ATOM 305 N VAL A 21 11.043 -14.561 -9.121 1.00 12.02 N ATOM 306 CA VAL A 21 12.484 -14.364 -9.224 1.00 44.43 C ATOM 307 C VAL A 21 12.850 -13.667 -10.529 1.00 71.53 C ATOM 308 O VAL A 21 12.445 -14.095 -11.610 1.00 64.04 O ATOM 309 CB VAL A 21 13.241 -15.703 -9.140 1.00 20.32 C ATOM 310 CG1 VAL A 21 13.201 -16.251 -7.721 1.00 31.34 C ATOM 311 CG2 VAL A 21 12.659 -16.707 -10.124 1.00 70.34 C ATOM 0 H VAL A 21 10.585 -14.793 -10.002 1.00 12.02 H new ATOM 0 HA VAL A 21 12.779 -13.735 -8.384 1.00 44.43 H new ATOM 0 HB VAL A 21 14.283 -15.528 -9.408 1.00 20.32 H new ATOM 0 HG11 VAL A 21 13.741 -17.197 -7.681 1.00 31.34 H new ATOM 0 HG12 VAL A 21 13.668 -15.538 -7.042 1.00 31.34 H new ATOM 0 HG13 VAL A 21 12.165 -16.411 -7.422 1.00 31.34 H new ATOM 0 HG21 VAL A 21 13.206 -17.647 -10.051 1.00 70.34 H new ATOM 0 HG22 VAL A 21 11.609 -16.879 -9.890 1.00 70.34 H new ATOM 0 HG23 VAL A 21 12.745 -16.315 -11.137 1.00 70.34 H new ATOM 321 N CYS A 22 13.621 -12.589 -10.422 1.00 50.54 N ATOM 322 CA CYS A 22 14.043 -11.831 -11.593 1.00 71.21 C ATOM 323 C CYS A 22 14.872 -12.701 -12.535 1.00 73.43 C ATOM 324 O CYS A 22 15.981 -13.116 -12.198 1.00 44.52 O ATOM 325 CB CYS A 22 14.854 -10.606 -11.167 1.00 74.43 C ATOM 326 SG CYS A 22 14.869 -9.261 -12.396 1.00 14.40 S ATOM 0 H CYS A 22 13.966 -12.221 -9.535 1.00 50.54 H new ATOM 0 HA CYS A 22 13.150 -11.501 -12.123 1.00 71.21 H new ATOM 0 HB2 CYS A 22 14.449 -10.223 -10.230 1.00 74.43 H new ATOM 0 HB3 CYS A 22 15.881 -10.914 -10.969 1.00 74.43 H new ATOM 331 N SER A 23 14.325 -12.972 -13.716 1.00 64.24 N ATOM 332 CA SER A 23 15.012 -13.795 -14.704 1.00 31.22 C ATOM 333 C SER A 23 15.471 -12.951 -15.889 1.00 73.33 C ATOM 334 O SER A 23 14.654 -12.445 -16.660 1.00 61.23 O ATOM 335 CB SER A 23 14.094 -14.918 -15.190 1.00 40.14 C ATOM 336 OG SER A 23 14.392 -16.139 -14.536 1.00 31.01 O ATOM 0 H SER A 23 13.409 -12.634 -14.011 1.00 64.24 H new ATOM 0 HA SER A 23 15.890 -14.232 -14.229 1.00 31.22 H new ATOM 0 HB2 SER A 23 13.054 -14.647 -15.006 1.00 40.14 H new ATOM 0 HB3 SER A 23 14.205 -15.042 -16.267 1.00 40.14 H new ATOM 0 HG SER A 23 14.183 -16.889 -15.132 1.00 31.01 H new ATOM 342 N SER A 24 16.784 -12.801 -16.028 1.00 1.30 N ATOM 343 CA SER A 24 17.354 -12.016 -17.116 1.00 51.40 C ATOM 344 C SER A 24 17.098 -12.685 -18.462 1.00 24.35 C ATOM 345 O SER A 24 17.258 -12.069 -19.515 1.00 53.40 O ATOM 346 CB SER A 24 18.858 -11.828 -16.905 1.00 44.52 C ATOM 347 OG SER A 24 19.549 -13.059 -17.033 1.00 33.02 O ATOM 0 H SER A 24 17.474 -13.213 -15.400 1.00 1.30 H new ATOM 0 HA SER A 24 16.870 -11.040 -17.118 1.00 51.40 H new ATOM 0 HB2 SER A 24 19.244 -11.113 -17.632 1.00 44.52 H new ATOM 0 HB3 SER A 24 19.040 -11.406 -15.916 1.00 44.52 H new ATOM 0 HG SER A 24 20.508 -12.912 -16.896 1.00 33.02 H new ATOM 353 N ARG A 25 16.698 -13.952 -18.419 1.00 75.21 N ATOM 354 CA ARG A 25 16.421 -14.707 -19.635 1.00 43.25 C ATOM 355 C ARG A 25 15.151 -14.200 -20.312 1.00 61.22 C ATOM 356 O ARG A 25 15.134 -13.957 -21.518 1.00 1.33 O ATOM 357 CB ARG A 25 16.280 -16.197 -19.314 1.00 4.34 C ATOM 358 CG ARG A 25 15.594 -16.994 -20.412 1.00 65.22 C ATOM 359 CD ARG A 25 15.865 -18.483 -20.271 1.00 1.10 C ATOM 360 NE ARG A 25 15.537 -19.217 -21.490 1.00 14.51 N ATOM 361 CZ ARG A 25 16.332 -19.268 -22.553 1.00 61.34 C ATOM 362 NH1 ARG A 25 17.494 -18.631 -22.546 1.00 4.04 N1+ ATOM 363 NH2 ARG A 25 15.964 -19.957 -23.626 1.00 71.15 N ATOM 0 H ARG A 25 16.559 -14.477 -17.556 1.00 75.21 H new ATOM 0 HA ARG A 25 17.258 -14.567 -20.319 1.00 43.25 H new ATOM 0 HB2 ARG A 25 17.270 -16.617 -19.136 1.00 4.34 H new ATOM 0 HB3 ARG A 25 15.715 -16.309 -18.388 1.00 4.34 H new ATOM 0 HG2 ARG A 25 14.520 -16.814 -20.377 1.00 65.22 H new ATOM 0 HG3 ARG A 25 15.943 -16.650 -21.385 1.00 65.22 H new ATOM 0 HD2 ARG A 25 16.916 -18.639 -20.026 1.00 1.10 H new ATOM 0 HD3 ARG A 25 15.282 -18.881 -19.440 1.00 1.10 H new ATOM 0 HE ARG A 25 14.649 -19.718 -21.527 1.00 14.51 H new ATOM 0 HH11 ARG A 25 17.780 -18.100 -21.723 1.00 4.04 H new ATOM 0 HH12 ARG A 25 18.103 -18.672 -23.363 1.00 4.04 H new ATOM 0 HH21 ARG A 25 15.070 -20.448 -23.635 1.00 71.15 H new ATOM 0 HH22 ARG A 25 16.575 -19.995 -24.442 1.00 71.15 H new ATOM 377 N TRP A 26 14.091 -14.043 -19.527 1.00 21.33 N ATOM 378 CA TRP A 26 12.816 -13.565 -20.051 1.00 11.24 C ATOM 379 C TRP A 26 12.694 -12.054 -19.891 1.00 12.14 C ATOM 380 O TRP A 26 11.733 -11.444 -20.361 1.00 65.35 O ATOM 381 CB TRP A 26 11.656 -14.260 -19.339 1.00 62.44 C ATOM 382 CG TRP A 26 11.880 -15.728 -19.131 1.00 50.52 C ATOM 383 CD1 TRP A 26 12.333 -16.335 -17.995 1.00 3.34 C ATOM 384 CD2 TRP A 26 11.663 -16.772 -20.087 1.00 24.03 C ATOM 385 NE1 TRP A 26 12.411 -17.694 -18.187 1.00 52.52 N ATOM 386 CE2 TRP A 26 12.005 -17.987 -19.462 1.00 21.43 C ATOM 387 CE3 TRP A 26 11.212 -16.799 -21.410 1.00 45.11 C ATOM 388 CZ2 TRP A 26 11.910 -19.213 -20.115 1.00 0.31 C ATOM 389 CZ3 TRP A 26 11.119 -18.016 -22.057 1.00 40.20 C ATOM 390 CH2 TRP A 26 11.465 -19.209 -21.409 1.00 42.31 C ATOM 0 H TRP A 26 14.089 -14.239 -18.526 1.00 21.33 H new ATOM 0 HA TRP A 26 12.776 -13.804 -21.114 1.00 11.24 H new ATOM 0 HB2 TRP A 26 11.495 -13.784 -18.372 1.00 62.44 H new ATOM 0 HB3 TRP A 26 10.745 -14.118 -19.920 1.00 62.44 H new ATOM 0 HD1 TRP A 26 12.592 -15.823 -17.080 1.00 3.34 H new ATOM 0 HE1 TRP A 26 12.721 -18.374 -17.493 1.00 52.52 H new ATOM 0 HE3 TRP A 26 10.941 -15.885 -21.917 1.00 45.11 H new ATOM 0 HZ2 TRP A 26 12.178 -20.134 -19.618 1.00 0.31 H new ATOM 0 HZ3 TRP A 26 10.774 -18.048 -23.080 1.00 40.20 H new ATOM 0 HH2 TRP A 26 11.379 -20.145 -21.942 1.00 42.31 H new ATOM 401 N LYS A 27 13.675 -11.452 -19.224 1.00 43.14 N ATOM 402 CA LYS A 27 13.678 -10.012 -19.003 1.00 71.25 C ATOM 403 C LYS A 27 12.581 -9.609 -18.023 1.00 75.02 C ATOM 404 O LYS A 27 12.110 -8.472 -18.038 1.00 43.34 O ATOM 405 CB LYS A 27 13.489 -9.270 -20.329 1.00 41.51 C ATOM 406 CG LYS A 27 14.313 -9.845 -21.469 1.00 33.01 C ATOM 407 CD LYS A 27 15.799 -9.807 -21.158 1.00 24.01 C ATOM 408 CE LYS A 27 16.323 -8.379 -21.113 1.00 21.54 C ATOM 409 NZ LYS A 27 17.797 -8.322 -21.315 1.00 72.21 N1+ ATOM 0 H LYS A 27 14.478 -11.941 -18.828 1.00 43.14 H new ATOM 0 HA LYS A 27 14.642 -9.738 -18.575 1.00 71.25 H new ATOM 0 HB2 LYS A 27 12.435 -9.297 -20.604 1.00 41.51 H new ATOM 0 HB3 LYS A 27 13.756 -8.222 -20.191 1.00 41.51 H new ATOM 0 HG2 LYS A 27 14.006 -10.874 -21.658 1.00 33.01 H new ATOM 0 HG3 LYS A 27 14.117 -9.281 -22.381 1.00 33.01 H new ATOM 0 HD2 LYS A 27 15.984 -10.294 -20.200 1.00 24.01 H new ATOM 0 HD3 LYS A 27 16.345 -10.372 -21.914 1.00 24.01 H new ATOM 0 HE2 LYS A 27 15.828 -7.786 -21.882 1.00 21.54 H new ATOM 0 HE3 LYS A 27 16.071 -7.930 -20.153 1.00 21.54 H new ATOM 0 HZ1 LYS A 27 18.115 -7.332 -21.277 1.00 72.21 H new ATOM 0 HZ2 LYS A 27 18.271 -8.866 -20.567 1.00 72.21 H new ATOM 0 HZ3 LYS A 27 18.036 -8.727 -22.242 1.00 72.21 H new ATOM 423 N TRP A 28 12.180 -10.547 -17.173 1.00 25.15 N ATOM 424 CA TRP A 28 11.139 -10.288 -16.184 1.00 74.44 C ATOM 425 C TRP A 28 11.114 -11.380 -15.121 1.00 44.12 C ATOM 426 O TRP A 28 11.752 -12.423 -15.273 1.00 32.41 O ATOM 427 CB TRP A 28 9.774 -10.190 -16.866 1.00 20.43 C ATOM 428 CG TRP A 28 9.386 -11.438 -17.600 1.00 62.43 C ATOM 429 CD1 TRP A 28 9.295 -12.699 -17.084 1.00 11.34 C ATOM 430 CD2 TRP A 28 9.039 -11.544 -18.986 1.00 52.54 C ATOM 431 NE1 TRP A 28 8.912 -13.582 -18.064 1.00 72.13 N ATOM 432 CE2 TRP A 28 8.749 -12.899 -19.240 1.00 45.42 C ATOM 433 CE3 TRP A 28 8.944 -10.627 -20.035 1.00 64.25 C ATOM 434 CZ2 TRP A 28 8.371 -13.355 -20.500 1.00 13.35 C ATOM 435 CZ3 TRP A 28 8.569 -11.081 -21.285 1.00 13.32 C ATOM 436 CH2 TRP A 28 8.286 -12.435 -21.509 1.00 71.13 C ATOM 0 H TRP A 28 12.559 -11.494 -17.148 1.00 25.15 H new ATOM 0 HA TRP A 28 11.363 -9.339 -15.696 1.00 74.44 H new ATOM 0 HB2 TRP A 28 9.016 -9.968 -16.115 1.00 20.43 H new ATOM 0 HB3 TRP A 28 9.784 -9.354 -17.565 1.00 20.43 H new ATOM 0 HD1 TRP A 28 9.495 -12.963 -16.056 1.00 11.34 H new ATOM 0 HE1 TRP A 28 8.772 -14.584 -17.937 1.00 72.13 H new ATOM 0 HE3 TRP A 28 9.160 -9.581 -19.872 1.00 64.25 H new ATOM 0 HZ2 TRP A 28 8.153 -14.398 -20.675 1.00 13.35 H new ATOM 0 HZ3 TRP A 28 8.493 -10.380 -22.103 1.00 13.32 H new ATOM 0 HH2 TRP A 28 7.995 -12.759 -22.497 1.00 71.13 H new ATOM 447 N CYS A 29 10.373 -11.137 -14.045 1.00 34.14 N ATOM 448 CA CYS A 29 10.265 -12.100 -12.957 1.00 4.32 C ATOM 449 C CYS A 29 9.468 -13.326 -13.393 1.00 65.42 C ATOM 450 O CYS A 29 8.439 -13.207 -14.058 1.00 54.55 O ATOM 451 CB CYS A 29 9.601 -11.453 -11.739 1.00 2.32 C ATOM 452 SG CYS A 29 10.777 -10.805 -10.508 1.00 13.01 S ATOM 0 H CYS A 29 9.838 -10.280 -13.904 1.00 34.14 H new ATOM 0 HA CYS A 29 11.271 -12.420 -12.687 1.00 4.32 H new ATOM 0 HB2 CYS A 29 8.960 -10.639 -12.078 1.00 2.32 H new ATOM 0 HB3 CYS A 29 8.955 -12.187 -11.258 1.00 2.32 H new ATOM 457 N VAL A 30 9.951 -14.505 -13.013 1.00 54.32 N ATOM 458 CA VAL A 30 9.283 -15.754 -13.362 1.00 70.23 C ATOM 459 C VAL A 30 8.991 -16.587 -12.120 1.00 25.44 C ATOM 460 O VAL A 30 9.673 -16.464 -11.101 1.00 2.32 O ATOM 461 CB VAL A 30 10.131 -16.589 -14.339 1.00 41.32 C ATOM 462 CG1 VAL A 30 10.118 -15.965 -15.727 1.00 55.45 C ATOM 463 CG2 VAL A 30 11.555 -16.729 -13.823 1.00 33.45 C ATOM 0 H VAL A 30 10.802 -14.622 -12.463 1.00 54.32 H new ATOM 0 HA VAL A 30 8.343 -15.486 -13.845 1.00 70.23 H new ATOM 0 HB VAL A 30 9.695 -17.585 -14.410 1.00 41.32 H new ATOM 0 HG11 VAL A 30 10.723 -16.569 -16.403 1.00 55.45 H new ATOM 0 HG12 VAL A 30 9.094 -15.922 -16.097 1.00 55.45 H new ATOM 0 HG13 VAL A 30 10.528 -14.956 -15.676 1.00 55.45 H new ATOM 0 HG21 VAL A 30 12.140 -17.322 -14.526 1.00 33.45 H new ATOM 0 HG22 VAL A 30 12.004 -15.741 -13.720 1.00 33.45 H new ATOM 0 HG23 VAL A 30 11.543 -17.225 -12.852 1.00 33.45 H new ATOM 473 N LEU A 31 7.973 -17.436 -12.210 1.00 4.15 N ATOM 474 CA LEU A 31 7.590 -18.292 -11.093 1.00 75.23 C ATOM 475 C LEU A 31 8.771 -19.135 -10.622 1.00 50.02 C ATOM 476 O LEU A 31 9.261 -19.996 -11.350 1.00 22.54 O ATOM 477 CB LEU A 31 6.428 -19.202 -11.497 1.00 61.45 C ATOM 478 CG LEU A 31 5.051 -18.812 -10.959 1.00 2.24 C ATOM 479 CD1 LEU A 31 5.037 -18.864 -9.440 1.00 35.22 C ATOM 480 CD2 LEU A 31 4.661 -17.424 -11.450 1.00 41.33 C ATOM 0 H LEU A 31 7.398 -17.550 -13.045 1.00 4.15 H new ATOM 0 HA LEU A 31 7.273 -17.652 -10.269 1.00 75.23 H new ATOM 0 HB2 LEU A 31 6.376 -19.230 -12.585 1.00 61.45 H new ATOM 0 HB3 LEU A 31 6.653 -20.215 -11.163 1.00 61.45 H new ATOM 0 HG LEU A 31 4.320 -19.528 -11.333 1.00 2.24 H new ATOM 0 HD11 LEU A 31 4.049 -18.583 -9.075 1.00 35.22 H new ATOM 0 HD12 LEU A 31 5.272 -19.875 -9.108 1.00 35.22 H new ATOM 0 HD13 LEU A 31 5.780 -18.171 -9.045 1.00 35.22 H new ATOM 0 HD21 LEU A 31 3.678 -17.162 -11.058 1.00 41.33 H new ATOM 0 HD22 LEU A 31 5.395 -16.696 -11.105 1.00 41.33 H new ATOM 0 HD23 LEU A 31 4.630 -17.419 -12.540 1.00 41.33 H new ATOM 492 N ALA A 32 9.222 -18.881 -9.398 1.00 4.33 N ATOM 493 CA ALA A 32 10.342 -19.619 -8.827 1.00 15.15 C ATOM 494 C ALA A 32 10.085 -21.122 -8.864 1.00 55.54 C ATOM 495 O ALA A 32 9.082 -21.603 -8.336 1.00 73.11 O ATOM 496 CB ALA A 32 10.604 -19.161 -7.401 1.00 71.52 C ATOM 0 H ALA A 32 8.829 -18.169 -8.782 1.00 4.33 H new ATOM 0 HA ALA A 32 11.226 -19.413 -9.431 1.00 15.15 H new ATOM 0 HB1 ALA A 32 11.443 -19.721 -6.987 1.00 71.52 H new ATOM 0 HB2 ALA A 32 10.841 -18.097 -7.398 1.00 71.52 H new ATOM 0 HB3 ALA A 32 9.716 -19.336 -6.794 1.00 71.52 H new ATOM 502 N SER A 33 10.996 -21.858 -9.492 1.00 5.52 N ATOM 503 CA SER A 33 10.865 -23.306 -9.600 1.00 3.12 C ATOM 504 C SER A 33 10.977 -23.966 -8.230 1.00 20.44 C ATOM 505 O SER A 33 11.492 -23.388 -7.273 1.00 14.20 O ATOM 506 CB SER A 33 11.937 -23.867 -10.538 1.00 12.34 C ATOM 507 OG SER A 33 12.566 -25.004 -9.971 1.00 42.23 O ATOM 0 H SER A 33 11.832 -21.476 -9.933 1.00 5.52 H new ATOM 0 HA SER A 33 9.880 -23.527 -10.011 1.00 3.12 H new ATOM 0 HB2 SER A 33 11.485 -24.136 -11.493 1.00 12.34 H new ATOM 0 HB3 SER A 33 12.683 -23.099 -10.743 1.00 12.34 H new ATOM 0 HG SER A 33 13.245 -25.345 -10.590 1.00 42.23 H new ATOM 513 N PRO A 34 10.481 -25.210 -8.131 1.00 13.32 N ATOM 514 CA PRO A 34 10.513 -25.978 -6.882 1.00 50.50 C ATOM 515 C PRO A 34 11.926 -26.404 -6.500 1.00 43.10 C ATOM 516 O PRO A 34 12.223 -26.623 -5.325 1.00 12.32 O ATOM 517 CB PRO A 34 9.651 -27.203 -7.197 1.00 41.21 C ATOM 518 CG PRO A 34 9.736 -27.354 -8.677 1.00 4.12 C ATOM 519 CD PRO A 34 9.853 -25.961 -9.230 1.00 51.01 C ATOM 0 HA PRO A 34 10.154 -25.394 -6.035 1.00 50.50 H new ATOM 0 HB2 PRO A 34 10.023 -28.091 -6.686 1.00 41.21 H new ATOM 0 HB3 PRO A 34 8.621 -27.057 -6.872 1.00 41.21 H new ATOM 0 HG2 PRO A 34 10.598 -27.959 -8.959 1.00 4.12 H new ATOM 0 HG3 PRO A 34 8.852 -27.856 -9.069 1.00 4.12 H new ATOM 0 HD2 PRO A 34 10.463 -25.937 -10.133 1.00 51.01 H new ATOM 0 HD3 PRO A 34 8.878 -25.550 -9.492 1.00 51.01 H new ATOM 527 N PHE A 35 12.795 -26.521 -7.499 1.00 64.13 N ATOM 528 CA PHE A 35 14.177 -26.921 -7.267 1.00 72.03 C ATOM 529 C PHE A 35 15.009 -25.745 -6.763 1.00 44.31 C ATOM 530 O PHE A 35 15.443 -25.728 -5.612 1.00 62.35 O ATOM 531 CB PHE A 35 14.791 -27.481 -8.553 1.00 53.23 C ATOM 532 CG PHE A 35 14.177 -28.777 -8.996 1.00 63.23 C ATOM 533 CD1 PHE A 35 14.465 -29.958 -8.332 1.00 33.02 C ATOM 534 CD2 PHE A 35 13.310 -28.814 -10.076 1.00 5.32 C ATOM 535 CE1 PHE A 35 13.901 -31.153 -8.739 1.00 33.23 C ATOM 536 CE2 PHE A 35 12.743 -30.007 -10.487 1.00 42.13 C ATOM 537 CZ PHE A 35 13.038 -31.177 -9.816 1.00 1.41 C ATOM 0 H PHE A 35 12.566 -26.344 -8.477 1.00 64.13 H new ATOM 0 HA PHE A 35 14.179 -27.698 -6.502 1.00 72.03 H new ATOM 0 HB2 PHE A 35 14.680 -26.745 -9.349 1.00 53.23 H new ATOM 0 HB3 PHE A 35 15.860 -27.628 -8.401 1.00 53.23 H new ATOM 0 HD1 PHE A 35 15.138 -29.945 -7.487 1.00 33.02 H new ATOM 0 HD2 PHE A 35 13.074 -27.901 -10.603 1.00 5.32 H new ATOM 0 HE1 PHE A 35 14.136 -32.067 -8.214 1.00 33.23 H new ATOM 0 HE2 PHE A 35 12.070 -30.023 -11.332 1.00 42.13 H new ATOM 0 HZ PHE A 35 12.594 -32.109 -10.133 1.00 1.41 H new TER 547 PHE A 35