USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 267 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.124 K(o=-0.12,f=-0.69) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -84:sc= 0.762 USER MOD Single : A 22 SER OG : rot 180:sc= 0.184 USER MOD Single : A 24 LYS NZ :NH3+ -118:sc= -0.537 (180deg=-3.51!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.93 K(o=-3.9,f=-4.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.292 -0.046 0.038 1.00 0.00 N ATOM 2 CA GLY A 1 1.870 0.138 -1.280 1.00 0.00 C ATOM 3 C GLY A 1 3.174 0.910 -1.239 1.00 0.00 C ATOM 4 O GLY A 1 3.211 2.098 -1.565 1.00 0.00 O ATOM 0 H1 GLY A 1 0.403 -0.579 -0.044 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.958 -0.574 0.638 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.101 0.882 0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.043 -0.836 -1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.159 0.666 -1.915 1.00 0.00 H new ATOM 8 N CYS A 2 4.247 0.237 -0.837 1.00 0.00 N ATOM 9 CA CYS A 2 5.558 0.867 -0.752 1.00 0.00 C ATOM 10 C CYS A 2 6.666 -0.138 -1.054 1.00 0.00 C ATOM 11 O CYS A 2 6.459 -1.349 -0.967 1.00 0.00 O ATOM 12 CB CYS A 2 5.768 1.472 0.638 1.00 0.00 C ATOM 13 SG CYS A 2 5.582 0.280 2.003 1.00 0.00 S ATOM 0 H CYS A 2 4.234 -0.746 -0.565 1.00 0.00 H new ATOM 0 HA CYS A 2 5.600 1.662 -1.497 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.765 1.910 0.685 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.056 2.285 0.780 1.00 0.00 H new ATOM 18 N ILE A 3 7.841 0.372 -1.407 1.00 0.00 N ATOM 19 CA ILE A 3 8.980 -0.481 -1.720 1.00 0.00 C ATOM 20 C ILE A 3 9.805 -0.775 -0.471 1.00 0.00 C ATOM 21 O ILE A 3 10.299 0.138 0.188 1.00 0.00 O ATOM 22 CB ILE A 3 9.890 0.163 -2.782 1.00 0.00 C ATOM 23 CG1 ILE A 3 9.072 0.559 -4.013 1.00 0.00 C ATOM 24 CG2 ILE A 3 11.010 -0.792 -3.169 1.00 0.00 C ATOM 25 CD1 ILE A 3 9.140 2.036 -4.334 1.00 0.00 C ATOM 0 H ILE A 3 8.029 1.372 -1.483 1.00 0.00 H new ATOM 0 HA ILE A 3 8.577 -1.414 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 3 10.336 1.064 -2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.427 -0.008 -4.873 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.031 0.278 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.645 -0.323 -3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.606 -1.030 -2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.582 -1.708 -3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.537 2.244 -5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.757 2.610 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.175 2.319 -4.526 1.00 0.00 H new ATOM 37 N ALA A 4 9.951 -2.058 -0.154 1.00 0.00 N ATOM 38 CA ALA A 4 10.720 -2.473 1.013 1.00 0.00 C ATOM 39 C ALA A 4 12.217 -2.418 0.732 1.00 0.00 C ATOM 40 O ALA A 4 12.642 -2.364 -0.423 1.00 0.00 O ATOM 41 CB ALA A 4 10.313 -3.876 1.440 1.00 0.00 C ATOM 0 H ALA A 4 9.547 -2.827 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 4 10.504 -1.779 1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.895 -4.174 2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.252 -3.887 1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.500 -4.574 0.624 1.00 0.00 H new ATOM 47 N LYS A 5 13.015 -2.430 1.795 1.00 0.00 N ATOM 48 CA LYS A 5 14.466 -2.382 1.663 1.00 0.00 C ATOM 49 C LYS A 5 15.011 -3.713 1.155 1.00 0.00 C ATOM 50 O LYS A 5 15.670 -4.446 1.892 1.00 0.00 O ATOM 51 CB LYS A 5 15.109 -2.035 3.008 1.00 0.00 C ATOM 52 CG LYS A 5 14.684 -2.954 4.141 1.00 0.00 C ATOM 53 CD LYS A 5 15.824 -3.205 5.113 1.00 0.00 C ATOM 54 CE LYS A 5 15.375 -3.027 6.556 1.00 0.00 C ATOM 55 NZ LYS A 5 16.400 -3.515 7.519 1.00 0.00 N ATOM 0 H LYS A 5 12.681 -2.473 2.758 1.00 0.00 H new ATOM 0 HA LYS A 5 14.715 -1.608 0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.193 -2.077 2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.854 -1.008 3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.842 -2.512 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.339 -3.903 3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.208 -4.215 4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.644 -2.520 4.899 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.171 -1.973 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.441 -3.566 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.057 -3.376 8.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.577 -4.527 7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.284 -2.983 7.385 1.00 0.00 H new ATOM 69 N ASN A 6 14.733 -4.018 -0.108 1.00 0.00 N ATOM 70 CA ASN A 6 15.196 -5.260 -0.714 1.00 0.00 C ATOM 71 C ASN A 6 14.696 -5.385 -2.150 1.00 0.00 C ATOM 72 O ASN A 6 15.328 -6.032 -2.986 1.00 0.00 O ATOM 73 CB ASN A 6 14.724 -6.461 0.108 1.00 0.00 C ATOM 74 CG ASN A 6 14.808 -7.762 -0.667 1.00 0.00 C ATOM 75 OD1 ASN A 6 15.828 -8.062 -1.288 1.00 0.00 O ATOM 76 ND2 ASN A 6 13.734 -8.541 -0.633 1.00 0.00 N ATOM 0 H ASN A 6 14.189 -3.422 -0.732 1.00 0.00 H new ATOM 0 HA ASN A 6 16.286 -5.243 -0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 6 15.329 -6.540 1.011 1.00 0.00 H new ATOM 0 HB3 ASN A 6 13.695 -6.297 0.427 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.732 -9.429 -1.135 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.911 -8.252 -0.105 1.00 0.00 H new ATOM 83 N LYS A 7 13.558 -4.759 -2.431 1.00 0.00 N ATOM 84 CA LYS A 7 12.972 -4.797 -3.765 1.00 0.00 C ATOM 85 C LYS A 7 13.545 -3.688 -4.642 1.00 0.00 C ATOM 86 O LYS A 7 13.862 -2.603 -4.157 1.00 0.00 O ATOM 87 CB LYS A 7 11.450 -4.661 -3.681 1.00 0.00 C ATOM 88 CG LYS A 7 10.810 -5.606 -2.679 1.00 0.00 C ATOM 89 CD LYS A 7 9.831 -6.553 -3.353 1.00 0.00 C ATOM 90 CE LYS A 7 9.626 -7.818 -2.533 1.00 0.00 C ATOM 91 NZ LYS A 7 10.711 -8.811 -2.765 1.00 0.00 N ATOM 0 H LYS A 7 13.023 -4.219 -1.751 1.00 0.00 H new ATOM 0 HA LYS A 7 13.220 -5.758 -4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.200 -3.635 -3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.022 -4.845 -4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.585 -6.182 -2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.291 -5.029 -1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.874 -6.050 -3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.201 -6.816 -4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.588 -7.562 -1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.665 -8.264 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.535 -9.659 -2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.731 -9.075 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.626 -8.394 -2.498 1.00 0.00 H new ATOM 105 N GLU A 8 13.673 -3.969 -5.935 1.00 0.00 N ATOM 106 CA GLU A 8 14.207 -2.994 -6.879 1.00 0.00 C ATOM 107 C GLU A 8 13.418 -1.689 -6.817 1.00 0.00 C ATOM 108 O GLU A 8 12.219 -1.687 -6.537 1.00 0.00 O ATOM 109 CB GLU A 8 14.173 -3.556 -8.302 1.00 0.00 C ATOM 110 CG GLU A 8 12.826 -3.399 -8.986 1.00 0.00 C ATOM 111 CD GLU A 8 12.793 -4.035 -10.362 1.00 0.00 C ATOM 112 OE1 GLU A 8 13.746 -4.768 -10.701 1.00 0.00 O ATOM 113 OE2 GLU A 8 11.814 -3.800 -11.101 1.00 0.00 O ATOM 0 H GLU A 8 13.414 -4.863 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 8 15.241 -2.788 -6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.935 -3.056 -8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.435 -4.614 -8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.052 -3.848 -8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.589 -2.339 -9.074 1.00 0.00 H new ATOM 120 N CYS A 9 14.100 -0.579 -7.081 1.00 0.00 N ATOM 121 CA CYS A 9 13.466 0.733 -7.054 1.00 0.00 C ATOM 122 C CYS A 9 14.161 1.693 -8.016 1.00 0.00 C ATOM 123 O CYS A 9 15.355 1.562 -8.284 1.00 0.00 O ATOM 124 CB CYS A 9 13.491 1.307 -5.636 1.00 0.00 C ATOM 125 SG CYS A 9 15.113 1.961 -5.128 1.00 0.00 S ATOM 0 H CYS A 9 15.092 -0.563 -7.316 1.00 0.00 H new ATOM 0 HA CYS A 9 12.430 0.614 -7.372 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.751 2.104 -5.565 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.189 0.529 -4.935 1.00 0.00 H new ATOM 130 N ALA A 10 13.406 2.658 -8.530 1.00 0.00 N ATOM 131 CA ALA A 10 13.949 3.641 -9.459 1.00 0.00 C ATOM 132 C ALA A 10 13.823 5.053 -8.899 1.00 0.00 C ATOM 133 O ALA A 10 12.891 5.355 -8.154 1.00 0.00 O ATOM 134 CB ALA A 10 13.247 3.540 -10.805 1.00 0.00 C ATOM 0 H ALA A 10 12.416 2.780 -8.319 1.00 0.00 H new ATOM 0 HA ALA A 10 15.009 3.427 -9.598 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.663 4.280 -11.489 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.394 2.542 -11.218 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.181 3.726 -10.674 1.00 0.00 H new ATOM 140 N TRP A 11 14.767 5.915 -9.262 1.00 0.00 N ATOM 141 CA TRP A 11 14.761 7.296 -8.794 1.00 0.00 C ATOM 142 C TRP A 11 13.556 8.052 -9.344 1.00 0.00 C ATOM 143 O TRP A 11 13.232 9.145 -8.880 1.00 0.00 O ATOM 144 CB TRP A 11 16.053 8.002 -9.209 1.00 0.00 C ATOM 145 CG TRP A 11 17.180 7.793 -8.242 1.00 0.00 C ATOM 146 CD1 TRP A 11 17.243 6.862 -7.245 1.00 0.00 C ATOM 147 CD2 TRP A 11 18.403 8.534 -8.180 1.00 0.00 C ATOM 148 NE1 TRP A 11 18.432 6.979 -6.567 1.00 0.00 N ATOM 149 CE2 TRP A 11 19.162 7.997 -7.122 1.00 0.00 C ATOM 150 CE3 TRP A 11 18.933 9.597 -8.916 1.00 0.00 C ATOM 151 CZ2 TRP A 11 20.420 8.489 -6.783 1.00 0.00 C ATOM 152 CZ3 TRP A 11 20.182 10.084 -8.579 1.00 0.00 C ATOM 153 CH2 TRP A 11 20.914 9.530 -7.521 1.00 0.00 C ATOM 0 H TRP A 11 15.545 5.682 -9.878 1.00 0.00 H new ATOM 0 HA TRP A 11 14.694 7.284 -7.706 1.00 0.00 H new ATOM 0 HB2 TRP A 11 16.356 7.642 -10.192 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.860 9.070 -9.306 1.00 0.00 H new ATOM 0 HD1 TRP A 11 16.471 6.140 -7.022 1.00 0.00 H new ATOM 0 HE1 TRP A 11 18.724 6.402 -5.778 1.00 0.00 H new ATOM 0 HE3 TRP A 11 18.377 10.030 -9.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 20.985 8.064 -5.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 20.601 10.906 -9.141 1.00 0.00 H new ATOM 0 HH2 TRP A 11 21.888 9.932 -7.283 1.00 0.00 H new ATOM 164 N PHE A 12 12.895 7.463 -10.335 1.00 0.00 N ATOM 165 CA PHE A 12 11.726 8.081 -10.949 1.00 0.00 C ATOM 166 C PHE A 12 10.621 7.053 -11.172 1.00 0.00 C ATOM 167 O PHE A 12 9.784 7.209 -12.061 1.00 0.00 O ATOM 168 CB PHE A 12 12.107 8.734 -12.279 1.00 0.00 C ATOM 169 CG PHE A 12 11.302 9.962 -12.596 1.00 0.00 C ATOM 170 CD1 PHE A 12 11.624 11.183 -12.026 1.00 0.00 C ATOM 171 CD2 PHE A 12 10.225 9.895 -13.465 1.00 0.00 C ATOM 172 CE1 PHE A 12 10.885 12.315 -12.316 1.00 0.00 C ATOM 173 CE2 PHE A 12 9.482 11.023 -13.759 1.00 0.00 C ATOM 174 CZ PHE A 12 9.813 12.235 -13.184 1.00 0.00 C ATOM 0 H PHE A 12 13.149 6.558 -10.730 1.00 0.00 H new ATOM 0 HA PHE A 12 11.353 8.848 -10.270 1.00 0.00 H new ATOM 0 HB2 PHE A 12 13.164 8.998 -12.255 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.978 8.008 -13.081 1.00 0.00 H new ATOM 0 HD1 PHE A 12 12.462 11.251 -11.348 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.963 8.950 -13.918 1.00 0.00 H new ATOM 0 HE1 PHE A 12 11.145 13.261 -11.864 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.644 10.957 -14.437 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.235 13.118 -13.413 1.00 0.00 H new ATOM 184 N SER A 13 10.625 6.002 -10.358 1.00 0.00 N ATOM 185 CA SER A 13 9.627 4.946 -10.468 1.00 0.00 C ATOM 186 C SER A 13 8.232 5.483 -10.163 1.00 0.00 C ATOM 187 O SER A 13 7.227 4.841 -10.466 1.00 0.00 O ATOM 188 CB SER A 13 9.962 3.796 -9.516 1.00 0.00 C ATOM 189 OG SER A 13 10.205 4.274 -8.204 1.00 0.00 O ATOM 0 H SER A 13 11.309 5.860 -9.615 1.00 0.00 H new ATOM 0 HA SER A 13 9.639 4.575 -11.493 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.139 3.082 -9.500 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.840 3.262 -9.880 1.00 0.00 H new ATOM 0 HG SER A 13 11.135 4.573 -8.132 1.00 0.00 H new ATOM 195 N GLY A 14 8.179 6.667 -9.560 1.00 0.00 N ATOM 196 CA GLY A 14 6.903 7.271 -9.223 1.00 0.00 C ATOM 197 C GLY A 14 6.439 6.906 -7.827 1.00 0.00 C ATOM 198 O GLY A 14 5.637 7.620 -7.227 1.00 0.00 O ATOM 0 H GLY A 14 8.997 7.218 -9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.985 8.355 -9.303 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.152 6.954 -9.947 1.00 0.00 H new ATOM 202 N GLU A 15 6.943 5.789 -7.311 1.00 0.00 N ATOM 203 CA GLU A 15 6.572 5.330 -5.978 1.00 0.00 C ATOM 204 C GLU A 15 7.683 5.621 -4.973 1.00 0.00 C ATOM 205 O GLU A 15 8.731 6.160 -5.330 1.00 0.00 O ATOM 206 CB GLU A 15 6.268 3.830 -5.997 1.00 0.00 C ATOM 207 CG GLU A 15 7.290 3.012 -6.767 1.00 0.00 C ATOM 208 CD GLU A 15 7.095 1.518 -6.590 1.00 0.00 C ATOM 209 OE1 GLU A 15 6.290 1.125 -5.720 1.00 0.00 O ATOM 210 OE2 GLU A 15 7.747 0.743 -7.320 1.00 0.00 O ATOM 0 H GLU A 15 7.608 5.186 -7.795 1.00 0.00 H new ATOM 0 HA GLU A 15 5.677 5.872 -5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.221 3.464 -4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.283 3.673 -6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.225 3.260 -7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.292 3.285 -6.437 1.00 0.00 H new ATOM 217 N TRP A 16 7.446 5.261 -3.717 1.00 0.00 N ATOM 218 CA TRP A 16 8.426 5.485 -2.660 1.00 0.00 C ATOM 219 C TRP A 16 8.599 4.234 -1.805 1.00 0.00 C ATOM 220 O TRP A 16 7.730 3.362 -1.781 1.00 0.00 O ATOM 221 CB TRP A 16 8.001 6.663 -1.783 1.00 0.00 C ATOM 222 CG TRP A 16 7.448 7.816 -2.564 1.00 0.00 C ATOM 223 CD1 TRP A 16 8.016 8.418 -3.650 1.00 0.00 C ATOM 224 CD2 TRP A 16 6.218 8.507 -2.318 1.00 0.00 C ATOM 225 NE1 TRP A 16 7.214 9.442 -4.094 1.00 0.00 N ATOM 226 CE2 TRP A 16 6.105 9.517 -3.294 1.00 0.00 C ATOM 227 CE3 TRP A 16 5.201 8.371 -1.369 1.00 0.00 C ATOM 228 CZ2 TRP A 16 5.016 10.383 -3.346 1.00 0.00 C ATOM 229 CZ3 TRP A 16 4.121 9.231 -1.422 1.00 0.00 C ATOM 230 CH2 TRP A 16 4.035 10.226 -2.405 1.00 0.00 C ATOM 0 H TRP A 16 6.584 4.813 -3.405 1.00 0.00 H new ATOM 0 HA TRP A 16 9.382 5.717 -3.128 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.250 6.323 -1.070 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.859 7.004 -1.204 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.957 8.131 -4.095 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.413 10.048 -4.890 1.00 0.00 H new ATOM 0 HE3 TRP A 16 5.258 7.607 -0.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.948 11.151 -4.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 3.330 9.135 -0.693 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.177 10.882 -2.420 1.00 0.00 H new ATOM 241 N CYS A 17 9.725 4.153 -1.104 1.00 0.00 N ATOM 242 CA CYS A 17 10.012 3.009 -0.247 1.00 0.00 C ATOM 243 C CYS A 17 9.269 3.124 1.081 1.00 0.00 C ATOM 244 O CYS A 17 8.852 4.212 1.480 1.00 0.00 O ATOM 245 CB CYS A 17 11.517 2.900 0.006 1.00 0.00 C ATOM 246 SG CYS A 17 12.543 3.217 -1.466 1.00 0.00 S ATOM 0 H CYS A 17 10.454 4.866 -1.113 1.00 0.00 H new ATOM 0 HA CYS A 17 9.670 2.109 -0.758 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.795 3.606 0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.740 1.902 0.383 1.00 0.00 H new ATOM 251 N CYS A 18 9.106 1.994 1.761 1.00 0.00 N ATOM 252 CA CYS A 18 8.414 1.967 3.044 1.00 0.00 C ATOM 253 C CYS A 18 9.163 2.793 4.085 1.00 0.00 C ATOM 254 O CYS A 18 10.302 3.203 3.865 1.00 0.00 O ATOM 255 CB CYS A 18 8.262 0.525 3.534 1.00 0.00 C ATOM 256 SG CYS A 18 7.344 -0.556 2.391 1.00 0.00 S ATOM 0 H CYS A 18 9.444 1.085 1.445 1.00 0.00 H new ATOM 0 HA CYS A 18 7.425 2.403 2.904 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.253 0.103 3.700 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.753 0.532 4.498 1.00 0.00 H new ATOM 261 N GLY A 19 8.515 3.034 5.220 1.00 0.00 N ATOM 262 CA GLY A 19 9.135 3.810 6.278 1.00 0.00 C ATOM 263 C GLY A 19 9.653 5.148 5.789 1.00 0.00 C ATOM 264 O GLY A 19 8.873 6.056 5.505 1.00 0.00 O ATOM 0 H GLY A 19 7.571 2.706 5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.411 3.974 7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.959 3.240 6.707 1.00 0.00 H new ATOM 268 N ALA A 20 10.972 5.270 5.692 1.00 0.00 N ATOM 269 CA ALA A 20 11.593 6.507 5.233 1.00 0.00 C ATOM 270 C ALA A 20 12.919 6.229 4.533 1.00 0.00 C ATOM 271 O ALA A 20 13.855 7.026 4.614 1.00 0.00 O ATOM 272 CB ALA A 20 11.800 7.458 6.402 1.00 0.00 C ATOM 0 H ALA A 20 11.632 4.528 5.925 1.00 0.00 H new ATOM 0 HA ALA A 20 10.923 6.975 4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.264 8.377 6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.837 7.691 6.857 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.447 6.988 7.143 1.00 0.00 H new ATOM 278 N LEU A 21 12.994 5.094 3.847 1.00 0.00 N ATOM 279 CA LEU A 21 14.207 4.710 3.133 1.00 0.00 C ATOM 280 C LEU A 21 14.177 5.221 1.696 1.00 0.00 C ATOM 281 O LEU A 21 13.108 5.435 1.124 1.00 0.00 O ATOM 282 CB LEU A 21 14.368 3.189 3.142 1.00 0.00 C ATOM 283 CG LEU A 21 14.014 2.484 4.452 1.00 0.00 C ATOM 284 CD1 LEU A 21 13.569 1.055 4.186 1.00 0.00 C ATOM 285 CD2 LEU A 21 15.199 2.507 5.407 1.00 0.00 C ATOM 0 H LEU A 21 12.229 4.423 3.770 1.00 0.00 H new ATOM 0 HA LEU A 21 15.058 5.162 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.746 2.773 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.402 2.952 2.893 1.00 0.00 H new ATOM 0 HG LEU A 21 13.187 3.019 4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.321 0.569 5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.691 1.062 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.375 0.508 3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.929 2.001 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.046 1.997 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.472 3.540 5.624 1.00 0.00 H new ATOM 297 N SER A 22 15.359 5.412 1.117 1.00 0.00 N ATOM 298 CA SER A 22 15.469 5.900 -0.253 1.00 0.00 C ATOM 299 C SER A 22 16.011 4.812 -1.174 1.00 0.00 C ATOM 300 O SER A 22 16.103 3.645 -0.791 1.00 0.00 O ATOM 301 CB SER A 22 16.376 7.130 -0.308 1.00 0.00 C ATOM 302 OG SER A 22 16.262 7.793 -1.555 1.00 0.00 O ATOM 0 H SER A 22 16.253 5.236 1.575 1.00 0.00 H new ATOM 0 HA SER A 22 14.472 6.178 -0.595 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.113 7.816 0.497 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.411 6.830 -0.146 1.00 0.00 H new ATOM 0 HG SER A 22 16.850 8.577 -1.564 1.00 0.00 H new ATOM 308 N CYS A 23 16.370 5.202 -2.393 1.00 0.00 N ATOM 309 CA CYS A 23 16.903 4.262 -3.372 1.00 0.00 C ATOM 310 C CYS A 23 18.428 4.228 -3.318 1.00 0.00 C ATOM 311 O CYS A 23 19.089 5.252 -3.491 1.00 0.00 O ATOM 312 CB CYS A 23 16.439 4.642 -4.779 1.00 0.00 C ATOM 313 SG CYS A 23 14.768 4.050 -5.197 1.00 0.00 S ATOM 0 H CYS A 23 16.301 6.164 -2.726 1.00 0.00 H new ATOM 0 HA CYS A 23 16.526 3.268 -3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 23 16.463 5.727 -4.877 1.00 0.00 H new ATOM 0 HB3 CYS A 23 17.147 4.240 -5.504 1.00 0.00 H new ATOM 318 N LYS A 24 18.979 3.043 -3.077 1.00 0.00 N ATOM 319 CA LYS A 24 20.425 2.873 -3.002 1.00 0.00 C ATOM 320 C LYS A 24 20.887 1.738 -3.909 1.00 0.00 C ATOM 321 O LYS A 24 20.199 0.727 -4.055 1.00 0.00 O ATOM 322 CB LYS A 24 20.852 2.593 -1.559 1.00 0.00 C ATOM 323 CG LYS A 24 20.440 3.680 -0.581 1.00 0.00 C ATOM 324 CD LYS A 24 18.994 3.516 -0.142 1.00 0.00 C ATOM 325 CE LYS A 24 18.770 4.070 1.256 1.00 0.00 C ATOM 326 NZ LYS A 24 18.975 5.545 1.308 1.00 0.00 N ATOM 0 H LYS A 24 18.446 2.186 -2.930 1.00 0.00 H new ATOM 0 HA LYS A 24 20.892 3.798 -3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.420 1.645 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.935 2.477 -1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.092 3.651 0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.572 4.657 -1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.338 4.028 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.723 2.460 -0.164 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.758 3.832 1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.452 3.584 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.761 5.764 1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.199 5.898 0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.108 6.004 1.652 1.00 0.00 H new ATOM 340 N TYR A 25 22.056 1.910 -4.516 1.00 0.00 N ATOM 341 CA TYR A 25 22.609 0.900 -5.410 1.00 0.00 C ATOM 342 C TYR A 25 23.242 -0.241 -4.618 1.00 0.00 C ATOM 343 O TYR A 25 24.086 -0.015 -3.751 1.00 0.00 O ATOM 344 CB TYR A 25 23.648 1.527 -6.342 1.00 0.00 C ATOM 345 CG TYR A 25 24.321 0.529 -7.257 1.00 0.00 C ATOM 346 CD1 TYR A 25 25.454 -0.164 -6.848 1.00 0.00 C ATOM 347 CD2 TYR A 25 23.824 0.278 -8.530 1.00 0.00 C ATOM 348 CE1 TYR A 25 26.073 -1.075 -7.681 1.00 0.00 C ATOM 349 CE2 TYR A 25 24.435 -0.633 -9.369 1.00 0.00 C ATOM 350 CZ TYR A 25 25.560 -1.307 -8.941 1.00 0.00 C ATOM 351 OH TYR A 25 26.172 -2.215 -9.773 1.00 0.00 O ATOM 0 H TYR A 25 22.639 2.740 -4.405 1.00 0.00 H new ATOM 0 HA TYR A 25 21.793 0.494 -6.008 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.165 2.294 -6.947 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.408 2.027 -5.741 1.00 0.00 H new ATOM 0 HD1 TYR A 25 25.857 0.013 -5.862 1.00 0.00 H new ATOM 0 HD2 TYR A 25 22.944 0.805 -8.869 1.00 0.00 H new ATOM 0 HE1 TYR A 25 26.954 -1.603 -7.348 1.00 0.00 H new ATOM 0 HE2 TYR A 25 24.034 -0.817 -10.355 1.00 0.00 H new ATOM 0 HH TYR A 25 25.685 -2.261 -10.622 1.00 0.00 H new ATOM 361 N SER A 26 22.828 -1.466 -4.925 1.00 0.00 N ATOM 362 CA SER A 26 23.352 -2.643 -4.241 1.00 0.00 C ATOM 363 C SER A 26 24.331 -3.399 -5.133 1.00 0.00 C ATOM 364 O SER A 26 23.928 -4.208 -5.969 1.00 0.00 O ATOM 365 CB SER A 26 22.207 -3.567 -3.823 1.00 0.00 C ATOM 366 OG SER A 26 21.737 -3.244 -2.525 1.00 0.00 O ATOM 0 H SER A 26 22.132 -1.670 -5.642 1.00 0.00 H new ATOM 0 HA SER A 26 23.884 -2.309 -3.350 1.00 0.00 H new ATOM 0 HB2 SER A 26 21.390 -3.485 -4.540 1.00 0.00 H new ATOM 0 HB3 SER A 26 22.546 -4.603 -3.843 1.00 0.00 H new ATOM 0 HG SER A 26 21.004 -3.848 -2.283 1.00 0.00 H new ATOM 372 N ILE A 27 25.619 -3.129 -4.948 1.00 0.00 N ATOM 373 CA ILE A 27 26.657 -3.785 -5.735 1.00 0.00 C ATOM 374 C ILE A 27 26.514 -5.302 -5.678 1.00 0.00 C ATOM 375 O ILE A 27 26.564 -5.980 -6.704 1.00 0.00 O ATOM 376 CB ILE A 27 28.064 -3.394 -5.247 1.00 0.00 C ATOM 377 CG1 ILE A 27 28.137 -1.888 -4.984 1.00 0.00 C ATOM 378 CG2 ILE A 27 29.113 -3.811 -6.267 1.00 0.00 C ATOM 379 CD1 ILE A 27 28.115 -1.530 -3.515 1.00 0.00 C ATOM 0 H ILE A 27 25.969 -2.461 -4.261 1.00 0.00 H new ATOM 0 HA ILE A 27 26.532 -3.450 -6.765 1.00 0.00 H new ATOM 0 HB ILE A 27 28.266 -3.917 -4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 27 29.048 -1.493 -5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 27 27.299 -1.399 -5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 27 30.102 -3.528 -5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 27 29.074 -4.891 -6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 27 28.915 -3.313 -7.216 1.00 0.00 H new ATOM 0 HD11 ILE A 27 28.170 -0.447 -3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.192 -1.895 -3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 27 28.968 -1.990 -3.016 1.00 0.00 H new ATOM 391 N LYS A 28 26.334 -5.829 -4.472 1.00 0.00 N ATOM 392 CA LYS A 28 26.181 -7.266 -4.279 1.00 0.00 C ATOM 393 C LYS A 28 25.018 -7.804 -5.107 1.00 0.00 C ATOM 394 O LYS A 28 25.077 -8.919 -5.627 1.00 0.00 O ATOM 395 CB LYS A 28 25.956 -7.582 -2.799 1.00 0.00 C ATOM 396 CG LYS A 28 24.912 -6.698 -2.140 1.00 0.00 C ATOM 397 CD LYS A 28 23.868 -7.521 -1.405 1.00 0.00 C ATOM 398 CE LYS A 28 23.346 -6.792 -0.177 1.00 0.00 C ATOM 399 NZ LYS A 28 23.804 -7.433 1.087 1.00 0.00 N ATOM 0 H LYS A 28 26.290 -5.282 -3.612 1.00 0.00 H new ATOM 0 HA LYS A 28 27.098 -7.752 -4.612 1.00 0.00 H new ATOM 0 HB2 LYS A 28 25.652 -8.624 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 28 26.900 -7.474 -2.265 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.399 -6.018 -1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 28 24.425 -6.083 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 28 23.039 -7.743 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 28 24.300 -8.476 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 28 23.682 -5.755 -0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 28 22.256 -6.775 -0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.427 -6.906 1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 23.462 -8.415 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 24.843 -7.427 1.123 1.00 0.00 H new ATOM 413 N ARG A 29 23.962 -7.006 -5.226 1.00 0.00 N ATOM 414 CA ARG A 29 22.786 -7.402 -5.991 1.00 0.00 C ATOM 415 C ARG A 29 22.878 -6.901 -7.429 1.00 0.00 C ATOM 416 O ARG A 29 21.953 -7.080 -8.219 1.00 0.00 O ATOM 417 CB ARG A 29 21.516 -6.862 -5.331 1.00 0.00 C ATOM 418 CG ARG A 29 21.164 -7.558 -4.027 1.00 0.00 C ATOM 419 CD ARG A 29 19.684 -7.904 -3.962 1.00 0.00 C ATOM 420 NE ARG A 29 19.418 -8.996 -3.029 1.00 0.00 N ATOM 421 CZ ARG A 29 19.709 -10.267 -3.283 1.00 0.00 C ATOM 422 NH1 ARG A 29 20.274 -10.604 -4.435 1.00 0.00 N ATOM 423 NH2 ARG A 29 19.436 -11.204 -2.384 1.00 0.00 N ATOM 0 H ARG A 29 23.897 -6.081 -4.802 1.00 0.00 H new ATOM 0 HA ARG A 29 22.744 -8.491 -6.007 1.00 0.00 H new ATOM 0 HB2 ARG A 29 21.640 -5.796 -5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 29 20.683 -6.967 -6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 29 21.756 -8.468 -3.927 1.00 0.00 H new ATOM 0 HG3 ARG A 29 21.425 -6.914 -3.187 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.119 -7.023 -3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 29 19.333 -8.182 -4.956 1.00 0.00 H new ATOM 0 HE ARG A 29 18.985 -8.770 -2.133 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.486 -9.886 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.496 -11.581 -4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.002 -10.949 -1.497 1.00 0.00 H new ATOM 0 HH22 ARG A 29 19.660 -12.180 -2.580 1.00 0.00 H new ATOM 437 N ASN A 30 24.001 -6.271 -7.760 1.00 0.00 N ATOM 438 CA ASN A 30 24.213 -5.742 -9.102 1.00 0.00 C ATOM 439 C ASN A 30 22.948 -5.073 -9.630 1.00 0.00 C ATOM 440 O ASN A 30 22.638 -5.156 -10.819 1.00 0.00 O ATOM 441 CB ASN A 30 24.645 -6.862 -10.052 1.00 0.00 C ATOM 442 CG ASN A 30 23.601 -7.956 -10.168 1.00 0.00 C ATOM 443 OD1 ASN A 30 22.499 -7.727 -10.667 1.00 0.00 O ATOM 444 ND2 ASN A 30 23.944 -9.152 -9.705 1.00 0.00 N ATOM 0 H ASN A 30 24.778 -6.115 -7.117 1.00 0.00 H new ATOM 0 HA ASN A 30 25.004 -4.993 -9.049 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.839 -6.443 -11.039 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.582 -7.293 -9.699 1.00 0.00 H new ATOM 0 HD21 ASN A 30 23.283 -9.927 -9.755 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.869 -9.296 -9.299 1.00 0.00 H new ATOM 451 N LEU A 31 22.221 -4.409 -8.738 1.00 0.00 N ATOM 452 CA LEU A 31 20.989 -3.724 -9.113 1.00 0.00 C ATOM 453 C LEU A 31 20.728 -2.532 -8.197 1.00 0.00 C ATOM 454 O LEU A 31 21.588 -2.142 -7.407 1.00 0.00 O ATOM 455 CB LEU A 31 19.806 -4.692 -9.057 1.00 0.00 C ATOM 456 CG LEU A 31 19.843 -5.855 -10.049 1.00 0.00 C ATOM 457 CD1 LEU A 31 18.815 -6.910 -9.673 1.00 0.00 C ATOM 458 CD2 LEU A 31 19.602 -5.354 -11.466 1.00 0.00 C ATOM 0 H LEU A 31 22.463 -4.330 -7.750 1.00 0.00 H new ATOM 0 HA LEU A 31 21.103 -3.357 -10.133 1.00 0.00 H new ATOM 0 HB2 LEU A 31 19.745 -5.102 -8.049 1.00 0.00 H new ATOM 0 HB3 LEU A 31 18.890 -4.125 -9.226 1.00 0.00 H new ATOM 0 HG LEU A 31 20.832 -6.311 -10.009 1.00 0.00 H new ATOM 0 HD11 LEU A 31 18.856 -7.730 -10.390 1.00 0.00 H new ATOM 0 HD12 LEU A 31 19.032 -7.290 -8.675 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.819 -6.468 -9.684 1.00 0.00 H new ATOM 0 HD21 LEU A 31 19.632 -6.195 -12.159 1.00 0.00 H new ATOM 0 HD22 LEU A 31 18.625 -4.873 -11.521 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.376 -4.635 -11.734 1.00 0.00 H new ATOM 470 N LYS A 32 19.535 -1.957 -8.308 1.00 0.00 N ATOM 471 CA LYS A 32 19.159 -0.811 -7.488 1.00 0.00 C ATOM 472 C LYS A 32 17.904 -1.113 -6.675 1.00 0.00 C ATOM 473 O LYS A 32 16.823 -1.302 -7.233 1.00 0.00 O ATOM 474 CB LYS A 32 18.925 0.418 -8.370 1.00 0.00 C ATOM 475 CG LYS A 32 20.194 0.963 -9.002 1.00 0.00 C ATOM 476 CD LYS A 32 20.475 0.307 -10.344 1.00 0.00 C ATOM 477 CE LYS A 32 19.445 0.710 -11.388 1.00 0.00 C ATOM 478 NZ LYS A 32 18.964 -0.460 -12.173 1.00 0.00 N ATOM 0 H LYS A 32 18.812 -2.266 -8.958 1.00 0.00 H new ATOM 0 HA LYS A 32 19.977 -0.605 -6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.218 0.160 -9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.462 1.202 -7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.101 2.041 -9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.037 0.796 -8.331 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.471 0.588 -10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.472 -0.777 -10.228 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.599 1.190 -10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 32 19.881 1.446 -12.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.264 -0.144 -12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.767 -0.904 -12.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.525 -1.151 -11.532 1.00 0.00 H new ATOM 492 N ILE A 33 18.055 -1.155 -5.356 1.00 0.00 N ATOM 493 CA ILE A 33 16.933 -1.430 -4.467 1.00 0.00 C ATOM 494 C ILE A 33 16.902 -0.449 -3.301 1.00 0.00 C ATOM 495 O ILE A 33 17.835 0.331 -3.105 1.00 0.00 O ATOM 496 CB ILE A 33 16.993 -2.866 -3.914 1.00 0.00 C ATOM 497 CG1 ILE A 33 17.992 -2.950 -2.758 1.00 0.00 C ATOM 498 CG2 ILE A 33 17.369 -3.844 -5.017 1.00 0.00 C ATOM 499 CD1 ILE A 33 18.300 -4.366 -2.326 1.00 0.00 C ATOM 0 H ILE A 33 18.944 -1.002 -4.879 1.00 0.00 H new ATOM 0 HA ILE A 33 16.025 -1.315 -5.059 1.00 0.00 H new ATOM 0 HB ILE A 33 16.006 -3.135 -3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 33 18.919 -2.459 -3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 33 17.596 -2.397 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 33 17.407 -4.854 -4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.624 -3.801 -5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 33 18.346 -3.579 -5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 33 19.015 -4.348 -1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 33 17.382 -4.854 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 33 18.726 -4.918 -3.164 1.00 0.00 H new ATOM 511 N CYS A 34 15.823 -0.493 -2.526 1.00 0.00 N ATOM 512 CA CYS A 34 15.669 0.390 -1.377 1.00 0.00 C ATOM 513 C CYS A 34 16.442 -0.142 -0.174 1.00 0.00 C ATOM 514 O CYS A 34 16.702 -1.341 -0.070 1.00 0.00 O ATOM 515 CB CYS A 34 14.189 0.543 -1.020 1.00 0.00 C ATOM 516 SG CYS A 34 13.239 1.552 -2.202 1.00 0.00 S ATOM 0 H CYS A 34 15.042 -1.132 -2.674 1.00 0.00 H new ATOM 0 HA CYS A 34 16.074 1.366 -1.644 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.737 -0.447 -0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 34 14.110 0.992 -0.030 1.00 0.00 H new ATOM 521 N VAL A 35 16.806 0.758 0.734 1.00 0.00 N ATOM 522 CA VAL A 35 17.548 0.380 1.930 1.00 0.00 C ATOM 523 C VAL A 35 17.125 1.222 3.129 1.00 0.00 C ATOM 524 O VAL A 35 17.266 0.802 4.277 1.00 0.00 O ATOM 525 CB VAL A 35 19.066 0.532 1.721 1.00 0.00 C ATOM 526 CG1 VAL A 35 19.824 0.079 2.960 1.00 0.00 C ATOM 527 CG2 VAL A 35 19.516 -0.250 0.496 1.00 0.00 C ATOM 0 H VAL A 35 16.599 1.754 0.664 1.00 0.00 H new ATOM 0 HA VAL A 35 17.319 -0.667 2.126 1.00 0.00 H new ATOM 0 HB VAL A 35 19.288 1.586 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.895 0.194 2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.522 0.686 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.598 -0.968 3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.591 -0.131 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.281 -1.306 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.998 0.126 -0.386 1.00 0.00 H new TER 537 VAL A 35