USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=8 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 Set 1.1: A 26 SER OG : rot 180:sc= 0.0109 USER MOD Set 1.2: A 28 LYS NZ :NH3+ -150:sc= 0.0137 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0994 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -168:sc= 0.0394 (180deg=0.0226) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -82:sc= 0.846 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= -0.585 (180deg=-2.54!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -3.99 K(o=-4,f=-4.9!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.931 0.984 -2.155 1.00 0.00 N ATOM 2 CA GLY A 1 1.982 0.230 -1.496 1.00 0.00 C ATOM 3 C GLY A 1 3.281 1.006 -1.403 1.00 0.00 C ATOM 4 O GLY A 1 3.316 2.207 -1.675 1.00 0.00 O ATOM 0 H1 GLY A 1 0.143 1.133 -1.493 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.305 1.905 -2.462 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.591 0.455 -2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.654 -0.045 -0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.155 -0.698 -2.040 1.00 0.00 H new ATOM 8 N CYS A 2 4.351 0.321 -1.016 1.00 0.00 N ATOM 9 CA CYS A 2 5.658 0.953 -0.885 1.00 0.00 C ATOM 10 C CYS A 2 6.777 -0.053 -1.138 1.00 0.00 C ATOM 11 O CYS A 2 6.570 -1.264 -1.044 1.00 0.00 O ATOM 12 CB CYS A 2 5.814 1.566 0.509 1.00 0.00 C ATOM 13 SG CYS A 2 5.605 0.376 1.872 1.00 0.00 S ATOM 0 H CYS A 2 4.339 -0.673 -0.787 1.00 0.00 H new ATOM 0 HA CYS A 2 5.728 1.743 -1.632 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.802 2.020 0.586 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.084 2.367 0.626 1.00 0.00 H new ATOM 18 N ILE A 3 7.962 0.455 -1.458 1.00 0.00 N ATOM 19 CA ILE A 3 9.113 -0.398 -1.723 1.00 0.00 C ATOM 20 C ILE A 3 9.895 -0.679 -0.444 1.00 0.00 C ATOM 21 O ILE A 3 10.395 0.240 0.204 1.00 0.00 O ATOM 22 CB ILE A 3 10.057 0.236 -2.761 1.00 0.00 C ATOM 23 CG1 ILE A 3 9.279 0.629 -4.018 1.00 0.00 C ATOM 24 CG2 ILE A 3 11.185 -0.724 -3.108 1.00 0.00 C ATOM 25 CD1 ILE A 3 9.426 2.088 -4.388 1.00 0.00 C ATOM 0 H ILE A 3 8.150 1.454 -1.540 1.00 0.00 H new ATOM 0 HA ILE A 3 8.726 -1.335 -2.122 1.00 0.00 H new ATOM 0 HB ILE A 3 10.493 1.137 -2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.618 0.015 -4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.223 0.406 -3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.844 -0.261 -3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.753 -0.958 -2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.767 -1.642 -3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.848 2.295 -5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.060 2.709 -3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.477 2.313 -4.572 1.00 0.00 H new ATOM 37 N ALA A 4 10.000 -1.955 -0.089 1.00 0.00 N ATOM 38 CA ALA A 4 10.725 -2.357 1.110 1.00 0.00 C ATOM 39 C ALA A 4 12.231 -2.341 0.872 1.00 0.00 C ATOM 40 O ALA A 4 12.689 -2.221 -0.265 1.00 0.00 O ATOM 41 CB ALA A 4 10.274 -3.739 1.561 1.00 0.00 C ATOM 0 H ALA A 4 9.592 -2.728 -0.615 1.00 0.00 H new ATOM 0 HA ALA A 4 10.501 -1.639 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.824 -4.027 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.206 -3.720 1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.468 -4.462 0.769 1.00 0.00 H new ATOM 47 N LYS A 5 12.997 -2.463 1.950 1.00 0.00 N ATOM 48 CA LYS A 5 14.452 -2.463 1.860 1.00 0.00 C ATOM 49 C LYS A 5 14.963 -3.789 1.307 1.00 0.00 C ATOM 50 O LYS A 5 15.623 -4.553 2.011 1.00 0.00 O ATOM 51 CB LYS A 5 15.069 -2.200 3.235 1.00 0.00 C ATOM 52 CG LYS A 5 14.586 -3.156 4.312 1.00 0.00 C ATOM 53 CD LYS A 5 15.748 -3.802 5.047 1.00 0.00 C ATOM 54 CE LYS A 5 15.448 -5.251 5.398 1.00 0.00 C ATOM 55 NZ LYS A 5 16.345 -6.194 4.674 1.00 0.00 N ATOM 0 H LYS A 5 12.634 -2.563 2.898 1.00 0.00 H new ATOM 0 HA LYS A 5 14.748 -1.667 1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.154 -2.272 3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.839 -1.179 3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.959 -2.618 5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.965 -3.930 3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.644 -3.754 4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.960 -3.242 5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.561 -5.395 6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.410 -5.477 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.985 -7.164 4.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.374 -5.941 3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.304 -6.137 5.073 1.00 0.00 H new ATOM 69 N ASN A 6 14.654 -4.057 0.042 1.00 0.00 N ATOM 70 CA ASN A 6 15.082 -5.291 -0.605 1.00 0.00 C ATOM 71 C ASN A 6 14.593 -5.346 -2.049 1.00 0.00 C ATOM 72 O ASN A 6 15.224 -5.965 -2.907 1.00 0.00 O ATOM 73 CB ASN A 6 14.561 -6.504 0.168 1.00 0.00 C ATOM 74 CG ASN A 6 15.488 -7.700 0.061 1.00 0.00 C ATOM 75 OD1 ASN A 6 16.088 -7.942 -0.987 1.00 0.00 O ATOM 76 ND2 ASN A 6 15.610 -8.454 1.147 1.00 0.00 N ATOM 0 H ASN A 6 14.108 -3.435 -0.555 1.00 0.00 H new ATOM 0 HA ASN A 6 16.172 -5.311 -0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 6 14.437 -6.237 1.217 1.00 0.00 H new ATOM 0 HB3 ASN A 6 13.576 -6.777 -0.210 1.00 0.00 H new ATOM 0 HD21 ASN A 6 16.220 -9.271 1.134 1.00 0.00 H new ATOM 0 HD22 ASN A 6 15.094 -8.216 1.994 1.00 0.00 H new ATOM 83 N LYS A 7 13.466 -4.694 -2.312 1.00 0.00 N ATOM 84 CA LYS A 7 12.892 -4.666 -3.652 1.00 0.00 C ATOM 85 C LYS A 7 13.502 -3.541 -4.481 1.00 0.00 C ATOM 86 O LYS A 7 13.833 -2.479 -3.954 1.00 0.00 O ATOM 87 CB LYS A 7 11.373 -4.493 -3.575 1.00 0.00 C ATOM 88 CG LYS A 7 10.697 -5.468 -2.628 1.00 0.00 C ATOM 89 CD LYS A 7 9.685 -6.339 -3.353 1.00 0.00 C ATOM 90 CE LYS A 7 9.235 -7.508 -2.490 1.00 0.00 C ATOM 91 NZ LYS A 7 9.220 -8.787 -3.252 1.00 0.00 N ATOM 0 H LYS A 7 12.931 -4.177 -1.614 1.00 0.00 H new ATOM 0 HA LYS A 7 13.119 -5.615 -4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.147 -3.475 -3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.951 -4.616 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.450 -6.099 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.199 -4.916 -1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.820 -5.738 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.123 -6.715 -4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.901 -7.604 -1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.238 -7.307 -2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.908 -9.559 -2.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.565 -8.705 -4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.177 -8.992 -3.605 1.00 0.00 H new ATOM 105 N GLU A 8 13.645 -3.780 -5.781 1.00 0.00 N ATOM 106 CA GLU A 8 14.214 -2.785 -6.682 1.00 0.00 C ATOM 107 C GLU A 8 13.325 -1.548 -6.758 1.00 0.00 C ATOM 108 O GLU A 8 12.104 -1.638 -6.625 1.00 0.00 O ATOM 109 CB GLU A 8 14.402 -3.379 -8.080 1.00 0.00 C ATOM 110 CG GLU A 8 13.143 -3.343 -8.930 1.00 0.00 C ATOM 111 CD GLU A 8 13.323 -4.033 -10.268 1.00 0.00 C ATOM 112 OE1 GLU A 8 14.437 -3.964 -10.827 1.00 0.00 O ATOM 113 OE2 GLU A 8 12.348 -4.643 -10.756 1.00 0.00 O ATOM 0 H GLU A 8 13.375 -4.653 -6.233 1.00 0.00 H new ATOM 0 HA GLU A 8 15.186 -2.488 -6.287 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.193 -2.833 -8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.737 -4.412 -7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.328 -3.820 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.851 -2.306 -9.096 1.00 0.00 H new ATOM 120 N CYS A 9 13.945 -0.393 -6.972 1.00 0.00 N ATOM 121 CA CYS A 9 13.212 0.864 -7.065 1.00 0.00 C ATOM 122 C CYS A 9 13.945 1.856 -7.964 1.00 0.00 C ATOM 123 O CYS A 9 15.168 1.982 -7.899 1.00 0.00 O ATOM 124 CB CYS A 9 13.016 1.468 -5.673 1.00 0.00 C ATOM 125 SG CYS A 9 14.569 1.859 -4.806 1.00 0.00 S ATOM 0 H CYS A 9 14.955 -0.301 -7.084 1.00 0.00 H new ATOM 0 HA CYS A 9 12.236 0.656 -7.504 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.424 2.379 -5.764 1.00 0.00 H new ATOM 0 HB3 CYS A 9 12.438 0.772 -5.065 1.00 0.00 H new ATOM 130 N ALA A 10 13.189 2.559 -8.800 1.00 0.00 N ATOM 131 CA ALA A 10 13.766 3.542 -9.709 1.00 0.00 C ATOM 132 C ALA A 10 13.695 4.945 -9.118 1.00 0.00 C ATOM 133 O ALA A 10 12.765 5.272 -8.381 1.00 0.00 O ATOM 134 CB ALA A 10 13.055 3.497 -11.054 1.00 0.00 C ATOM 0 H ALA A 10 12.175 2.466 -8.867 1.00 0.00 H new ATOM 0 HA ALA A 10 14.817 3.292 -9.856 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.496 4.236 -11.723 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.162 2.503 -11.489 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.997 3.719 -10.914 1.00 0.00 H new ATOM 140 N TRP A 11 14.683 5.770 -9.445 1.00 0.00 N ATOM 141 CA TRP A 11 14.732 7.139 -8.944 1.00 0.00 C ATOM 142 C TRP A 11 13.527 7.939 -9.426 1.00 0.00 C ATOM 143 O TRP A 11 13.225 9.007 -8.893 1.00 0.00 O ATOM 144 CB TRP A 11 16.025 7.822 -9.393 1.00 0.00 C ATOM 145 CG TRP A 11 17.177 7.581 -8.465 1.00 0.00 C ATOM 146 CD1 TRP A 11 17.244 6.653 -7.466 1.00 0.00 C ATOM 147 CD2 TRP A 11 18.426 8.282 -8.449 1.00 0.00 C ATOM 148 NE1 TRP A 11 18.460 6.734 -6.830 1.00 0.00 N ATOM 149 CE2 TRP A 11 19.203 7.725 -7.414 1.00 0.00 C ATOM 150 CE3 TRP A 11 18.964 9.324 -9.209 1.00 0.00 C ATOM 151 CZ2 TRP A 11 20.487 8.177 -7.122 1.00 0.00 C ATOM 152 CZ3 TRP A 11 20.238 9.772 -8.917 1.00 0.00 C ATOM 153 CH2 TRP A 11 20.988 9.199 -7.882 1.00 0.00 C ATOM 0 H TRP A 11 15.460 5.515 -10.054 1.00 0.00 H new ATOM 0 HA TRP A 11 14.708 7.102 -7.855 1.00 0.00 H new ATOM 0 HB2 TRP A 11 16.289 7.465 -10.389 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.851 8.895 -9.474 1.00 0.00 H new ATOM 0 HD1 TRP A 11 16.457 5.958 -7.213 1.00 0.00 H new ATOM 0 HE1 TRP A 11 18.760 6.150 -6.049 1.00 0.00 H new ATOM 0 HE3 TRP A 11 18.394 9.771 -10.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 21.067 7.737 -6.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 20.663 10.578 -9.497 1.00 0.00 H new ATOM 0 HH2 TRP A 11 21.981 9.571 -7.680 1.00 0.00 H new ATOM 164 N PHE A 12 12.841 7.416 -10.438 1.00 0.00 N ATOM 165 CA PHE A 12 11.669 8.083 -10.992 1.00 0.00 C ATOM 166 C PHE A 12 10.531 7.089 -11.211 1.00 0.00 C ATOM 167 O PHE A 12 9.663 7.300 -12.058 1.00 0.00 O ATOM 168 CB PHE A 12 12.023 8.769 -12.313 1.00 0.00 C ATOM 169 CG PHE A 12 11.236 10.024 -12.566 1.00 0.00 C ATOM 170 CD1 PHE A 12 11.582 11.212 -11.943 1.00 0.00 C ATOM 171 CD2 PHE A 12 10.151 10.014 -13.427 1.00 0.00 C ATOM 172 CE1 PHE A 12 10.861 12.368 -12.174 1.00 0.00 C ATOM 173 CE2 PHE A 12 9.426 11.167 -13.662 1.00 0.00 C ATOM 174 CZ PHE A 12 9.780 12.345 -13.034 1.00 0.00 C ATOM 0 H PHE A 12 13.077 6.533 -10.890 1.00 0.00 H new ATOM 0 HA PHE A 12 11.338 8.836 -10.277 1.00 0.00 H new ATOM 0 HB2 PHE A 12 13.086 9.010 -12.315 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.853 8.071 -13.133 1.00 0.00 H new ATOM 0 HD1 PHE A 12 12.425 11.235 -11.269 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.869 9.095 -13.920 1.00 0.00 H new ATOM 0 HE1 PHE A 12 11.142 13.288 -11.683 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.583 11.147 -14.337 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.213 13.246 -13.215 1.00 0.00 H new ATOM 184 N SER A 13 10.544 6.005 -10.442 1.00 0.00 N ATOM 185 CA SER A 13 9.517 4.977 -10.554 1.00 0.00 C ATOM 186 C SER A 13 8.142 5.541 -10.208 1.00 0.00 C ATOM 187 O SER A 13 7.115 4.942 -10.523 1.00 0.00 O ATOM 188 CB SER A 13 9.843 3.798 -9.634 1.00 0.00 C ATOM 189 OG SER A 13 10.166 4.244 -8.329 1.00 0.00 O ATOM 0 H SER A 13 11.254 5.816 -9.735 1.00 0.00 H new ATOM 0 HA SER A 13 9.498 4.629 -11.587 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.990 3.121 -9.590 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.679 3.232 -10.045 1.00 0.00 H new ATOM 0 HG SER A 13 11.106 4.519 -8.301 1.00 0.00 H new ATOM 195 N GLY A 14 8.132 6.700 -9.556 1.00 0.00 N ATOM 196 CA GLY A 14 6.880 7.327 -9.178 1.00 0.00 C ATOM 197 C GLY A 14 6.424 6.921 -7.790 1.00 0.00 C ATOM 198 O GLY A 14 5.617 7.611 -7.169 1.00 0.00 O ATOM 0 H GLY A 14 8.969 7.215 -9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.993 8.410 -9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.110 7.060 -9.902 1.00 0.00 H new ATOM 202 N GLU A 15 6.942 5.797 -7.305 1.00 0.00 N ATOM 203 CA GLU A 15 6.580 5.299 -5.982 1.00 0.00 C ATOM 204 C GLU A 15 7.665 5.630 -4.961 1.00 0.00 C ATOM 205 O GLU A 15 8.706 6.190 -5.305 1.00 0.00 O ATOM 206 CB GLU A 15 6.351 3.787 -6.027 1.00 0.00 C ATOM 207 CG GLU A 15 7.401 3.036 -6.829 1.00 0.00 C ATOM 208 CD GLU A 15 6.913 2.648 -8.211 1.00 0.00 C ATOM 209 OE1 GLU A 15 6.017 3.339 -8.740 1.00 0.00 O ATOM 210 OE2 GLU A 15 7.427 1.653 -8.763 1.00 0.00 O ATOM 0 H GLU A 15 7.612 5.215 -7.807 1.00 0.00 H new ATOM 0 HA GLU A 15 5.656 5.790 -5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.338 3.399 -5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.368 3.589 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.293 3.656 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.694 2.138 -6.286 1.00 0.00 H new ATOM 217 N TRP A 16 7.413 5.280 -3.705 1.00 0.00 N ATOM 218 CA TRP A 16 8.367 5.540 -2.634 1.00 0.00 C ATOM 219 C TRP A 16 8.559 4.303 -1.763 1.00 0.00 C ATOM 220 O TRP A 16 7.684 3.440 -1.693 1.00 0.00 O ATOM 221 CB TRP A 16 7.894 6.714 -1.775 1.00 0.00 C ATOM 222 CG TRP A 16 7.239 7.804 -2.568 1.00 0.00 C ATOM 223 CD1 TRP A 16 7.752 8.446 -3.659 1.00 0.00 C ATOM 224 CD2 TRP A 16 5.950 8.381 -2.331 1.00 0.00 C ATOM 225 NE1 TRP A 16 6.860 9.387 -4.114 1.00 0.00 N ATOM 226 CE2 TRP A 16 5.746 9.366 -3.317 1.00 0.00 C ATOM 227 CE3 TRP A 16 4.948 8.160 -1.383 1.00 0.00 C ATOM 228 CZ2 TRP A 16 4.582 10.127 -3.379 1.00 0.00 C ATOM 229 CZ3 TRP A 16 3.793 8.917 -1.446 1.00 0.00 C ATOM 230 CH2 TRP A 16 3.618 9.890 -2.438 1.00 0.00 C ATOM 0 H TRP A 16 6.556 4.816 -3.404 1.00 0.00 H new ATOM 0 HA TRP A 16 9.325 5.794 -3.089 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.192 6.347 -1.026 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.747 7.128 -1.237 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.717 8.244 -4.099 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.004 10.002 -4.915 1.00 0.00 H new ATOM 0 HE3 TRP A 16 5.073 7.411 -0.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.445 10.878 -4.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 3.012 8.755 -0.718 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.704 10.465 -2.460 1.00 0.00 H new ATOM 241 N CYS A 17 9.709 4.223 -1.102 1.00 0.00 N ATOM 242 CA CYS A 17 10.016 3.091 -0.236 1.00 0.00 C ATOM 243 C CYS A 17 9.232 3.177 1.070 1.00 0.00 C ATOM 244 O CYS A 17 8.725 4.238 1.434 1.00 0.00 O ATOM 245 CB CYS A 17 11.517 3.040 0.059 1.00 0.00 C ATOM 246 SG CYS A 17 12.571 3.333 -1.398 1.00 0.00 S ATOM 0 H CYS A 17 10.444 4.929 -1.150 1.00 0.00 H new ATOM 0 HA CYS A 17 9.723 2.178 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.752 3.784 0.820 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.761 2.065 0.480 1.00 0.00 H new ATOM 251 N CYS A 18 9.138 2.053 1.772 1.00 0.00 N ATOM 252 CA CYS A 18 8.417 1.999 3.038 1.00 0.00 C ATOM 253 C CYS A 18 9.145 2.801 4.113 1.00 0.00 C ATOM 254 O CYS A 18 10.294 3.200 3.933 1.00 0.00 O ATOM 255 CB CYS A 18 8.251 0.548 3.494 1.00 0.00 C ATOM 256 SG CYS A 18 7.336 -0.500 2.318 1.00 0.00 S ATOM 0 H CYS A 18 9.553 1.166 1.485 1.00 0.00 H new ATOM 0 HA CYS A 18 7.432 2.439 2.885 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.238 0.115 3.659 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.734 0.537 4.453 1.00 0.00 H new ATOM 261 N GLY A 19 8.465 3.033 5.232 1.00 0.00 N ATOM 262 CA GLY A 19 9.062 3.786 6.320 1.00 0.00 C ATOM 263 C GLY A 19 9.615 5.122 5.865 1.00 0.00 C ATOM 264 O GLY A 19 8.858 6.043 5.560 1.00 0.00 O ATOM 0 H GLY A 19 7.512 2.713 5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.315 3.951 7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.863 3.198 6.768 1.00 0.00 H new ATOM 268 N ALA A 20 10.939 5.230 5.822 1.00 0.00 N ATOM 269 CA ALA A 20 11.592 6.463 5.402 1.00 0.00 C ATOM 270 C ALA A 20 12.944 6.176 4.759 1.00 0.00 C ATOM 271 O ALA A 20 13.910 6.913 4.964 1.00 0.00 O ATOM 272 CB ALA A 20 11.757 7.403 6.586 1.00 0.00 C ATOM 0 H ALA A 20 11.580 4.478 6.073 1.00 0.00 H new ATOM 0 HA ALA A 20 10.959 6.944 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.246 8.320 6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.777 7.643 7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.366 6.921 7.351 1.00 0.00 H new ATOM 278 N LEU A 21 13.008 5.101 3.980 1.00 0.00 N ATOM 279 CA LEU A 21 14.244 4.716 3.307 1.00 0.00 C ATOM 280 C LEU A 21 14.254 5.211 1.864 1.00 0.00 C ATOM 281 O LEU A 21 13.204 5.476 1.280 1.00 0.00 O ATOM 282 CB LEU A 21 14.413 3.196 3.339 1.00 0.00 C ATOM 283 CG LEU A 21 14.083 2.512 4.666 1.00 0.00 C ATOM 284 CD1 LEU A 21 13.534 1.114 4.423 1.00 0.00 C ATOM 285 CD2 LEU A 21 15.314 2.456 5.557 1.00 0.00 C ATOM 0 H LEU A 21 12.219 4.481 3.799 1.00 0.00 H new ATOM 0 HA LEU A 21 15.077 5.179 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.781 2.764 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.445 2.960 3.078 1.00 0.00 H new ATOM 0 HG LEU A 21 13.317 3.098 5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.305 0.642 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.626 1.179 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.277 0.518 3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.061 1.966 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.101 1.893 5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.664 3.469 5.758 1.00 0.00 H new ATOM 297 N SER A 22 15.449 5.330 1.294 1.00 0.00 N ATOM 298 CA SER A 22 15.597 5.794 -0.081 1.00 0.00 C ATOM 299 C SER A 22 16.085 4.666 -0.985 1.00 0.00 C ATOM 300 O SER A 22 16.177 3.512 -0.564 1.00 0.00 O ATOM 301 CB SER A 22 16.573 6.970 -0.142 1.00 0.00 C ATOM 302 OG SER A 22 15.893 8.205 0.001 1.00 0.00 O ATOM 0 H SER A 22 16.328 5.112 1.763 1.00 0.00 H new ATOM 0 HA SER A 22 14.620 6.123 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 22 17.319 6.869 0.646 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.108 6.954 -1.091 1.00 0.00 H new ATOM 0 HG SER A 22 16.539 8.941 -0.040 1.00 0.00 H new ATOM 308 N CYS A 23 16.396 5.008 -2.231 1.00 0.00 N ATOM 309 CA CYS A 23 16.874 4.026 -3.197 1.00 0.00 C ATOM 310 C CYS A 23 18.397 4.049 -3.288 1.00 0.00 C ATOM 311 O CYS A 23 18.993 5.059 -3.664 1.00 0.00 O ATOM 312 CB CYS A 23 16.266 4.297 -4.575 1.00 0.00 C ATOM 313 SG CYS A 23 14.477 3.968 -4.675 1.00 0.00 S ATOM 0 H CYS A 23 16.325 5.958 -2.595 1.00 0.00 H new ATOM 0 HA CYS A 23 16.562 3.038 -2.857 1.00 0.00 H new ATOM 0 HB2 CYS A 23 16.449 5.338 -4.843 1.00 0.00 H new ATOM 0 HB3 CYS A 23 16.780 3.682 -5.314 1.00 0.00 H new ATOM 318 N LYS A 24 19.022 2.929 -2.941 1.00 0.00 N ATOM 319 CA LYS A 24 20.476 2.818 -2.984 1.00 0.00 C ATOM 320 C LYS A 24 20.908 1.694 -3.919 1.00 0.00 C ATOM 321 O LYS A 24 20.184 0.716 -4.106 1.00 0.00 O ATOM 322 CB LYS A 24 21.030 2.570 -1.580 1.00 0.00 C ATOM 323 CG LYS A 24 20.529 3.561 -0.543 1.00 0.00 C ATOM 324 CD LYS A 24 19.189 3.135 0.033 1.00 0.00 C ATOM 325 CE LYS A 24 18.932 3.782 1.385 1.00 0.00 C ATOM 326 NZ LYS A 24 19.076 5.264 1.327 1.00 0.00 N ATOM 0 H LYS A 24 18.544 2.084 -2.627 1.00 0.00 H new ATOM 0 HA LYS A 24 20.877 3.757 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.761 1.561 -1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.119 2.613 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.260 3.649 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.434 4.547 -0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.392 3.407 -0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.165 2.050 0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.928 3.528 1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.629 3.378 2.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 18.410 5.704 1.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.048 5.529 1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.870 5.595 0.363 1.00 0.00 H new ATOM 340 N TYR A 25 22.092 1.839 -4.503 1.00 0.00 N ATOM 341 CA TYR A 25 22.620 0.835 -5.419 1.00 0.00 C ATOM 342 C TYR A 25 23.234 -0.333 -4.653 1.00 0.00 C ATOM 343 O TYR A 25 24.032 -0.138 -3.737 1.00 0.00 O ATOM 344 CB TYR A 25 23.667 1.459 -6.344 1.00 0.00 C ATOM 345 CG TYR A 25 24.280 0.476 -7.316 1.00 0.00 C ATOM 346 CD1 TYR A 25 25.352 -0.325 -6.941 1.00 0.00 C ATOM 347 CD2 TYR A 25 23.785 0.346 -8.608 1.00 0.00 C ATOM 348 CE1 TYR A 25 25.916 -1.224 -7.826 1.00 0.00 C ATOM 349 CE2 TYR A 25 24.342 -0.551 -9.499 1.00 0.00 C ATOM 350 CZ TYR A 25 25.407 -1.334 -9.103 1.00 0.00 C ATOM 351 OH TYR A 25 25.964 -2.229 -9.987 1.00 0.00 O ATOM 0 H TYR A 25 22.704 2.642 -4.359 1.00 0.00 H new ATOM 0 HA TYR A 25 21.793 0.457 -6.019 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.206 2.272 -6.905 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.459 1.899 -5.738 1.00 0.00 H new ATOM 0 HD1 TYR A 25 25.751 -0.243 -5.941 1.00 0.00 H new ATOM 0 HD2 TYR A 25 22.951 0.956 -8.921 1.00 0.00 H new ATOM 0 HE1 TYR A 25 26.751 -1.837 -7.519 1.00 0.00 H new ATOM 0 HE2 TYR A 25 23.946 -0.639 -10.500 1.00 0.00 H new ATOM 0 HH TYR A 25 25.488 -2.183 -10.843 1.00 0.00 H new ATOM 361 N SER A 26 22.855 -1.548 -5.037 1.00 0.00 N ATOM 362 CA SER A 26 23.364 -2.749 -4.385 1.00 0.00 C ATOM 363 C SER A 26 24.311 -3.509 -5.310 1.00 0.00 C ATOM 364 O SER A 26 23.873 -4.241 -6.198 1.00 0.00 O ATOM 365 CB SER A 26 22.206 -3.657 -3.965 1.00 0.00 C ATOM 366 OG SER A 26 21.722 -3.304 -2.680 1.00 0.00 O ATOM 0 H SER A 26 22.197 -1.727 -5.796 1.00 0.00 H new ATOM 0 HA SER A 26 23.918 -2.444 -3.497 1.00 0.00 H new ATOM 0 HB2 SER A 26 21.399 -3.583 -4.694 1.00 0.00 H new ATOM 0 HB3 SER A 26 22.537 -4.695 -3.960 1.00 0.00 H new ATOM 0 HG SER A 26 20.982 -3.897 -2.435 1.00 0.00 H new ATOM 372 N ILE A 27 25.609 -3.329 -5.094 1.00 0.00 N ATOM 373 CA ILE A 27 26.618 -3.997 -5.906 1.00 0.00 C ATOM 374 C ILE A 27 26.484 -5.514 -5.811 1.00 0.00 C ATOM 375 O ILE A 27 26.550 -6.218 -6.818 1.00 0.00 O ATOM 376 CB ILE A 27 28.042 -3.592 -5.482 1.00 0.00 C ATOM 377 CG1 ILE A 27 28.111 -2.085 -5.225 1.00 0.00 C ATOM 378 CG2 ILE A 27 29.048 -3.999 -6.547 1.00 0.00 C ATOM 379 CD1 ILE A 27 28.139 -1.723 -3.757 1.00 0.00 C ATOM 0 H ILE A 27 25.987 -2.726 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 27 26.452 -3.683 -6.936 1.00 0.00 H new ATOM 0 HB ILE A 27 28.292 -4.112 -4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 27 29.002 -1.683 -5.707 1.00 0.00 H new ATOM 0 HG13 ILE A 27 27.251 -1.605 -5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 27 30.050 -3.706 -6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 27 29.013 -5.079 -6.686 1.00 0.00 H new ATOM 0 HG23 ILE A 27 28.803 -3.504 -7.487 1.00 0.00 H new ATOM 0 HD11 ILE A 27 28.188 -0.639 -3.650 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.236 -2.095 -3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 27 29.014 -2.174 -3.288 1.00 0.00 H new ATOM 391 N LYS A 28 26.294 -6.010 -4.593 1.00 0.00 N ATOM 392 CA LYS A 28 26.147 -7.442 -4.364 1.00 0.00 C ATOM 393 C LYS A 28 24.950 -7.996 -5.130 1.00 0.00 C ATOM 394 O LYS A 28 24.948 -9.155 -5.545 1.00 0.00 O ATOM 395 CB LYS A 28 25.986 -7.727 -2.869 1.00 0.00 C ATOM 396 CG LYS A 28 24.868 -6.933 -2.216 1.00 0.00 C ATOM 397 CD LYS A 28 25.406 -5.727 -1.465 1.00 0.00 C ATOM 398 CE LYS A 28 24.638 -5.486 -0.175 1.00 0.00 C ATOM 399 NZ LYS A 28 23.249 -5.016 -0.436 1.00 0.00 N ATOM 0 H LYS A 28 26.238 -5.440 -3.749 1.00 0.00 H new ATOM 0 HA LYS A 28 27.048 -7.936 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 28 25.795 -8.791 -2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 28 26.924 -7.502 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 28 24.162 -6.603 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 28 24.318 -7.575 -1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 28 26.461 -5.879 -1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 28 25.340 -4.843 -2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 28 24.606 -6.407 0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 28 25.164 -4.746 0.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.937 -4.404 0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 23.226 -4.479 -1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 22.613 -5.836 -0.509 1.00 0.00 H new ATOM 413 N ARG A 29 23.934 -7.159 -5.315 1.00 0.00 N ATOM 414 CA ARG A 29 22.730 -7.565 -6.031 1.00 0.00 C ATOM 415 C ARG A 29 22.759 -7.062 -7.471 1.00 0.00 C ATOM 416 O ARG A 29 21.787 -7.212 -8.211 1.00 0.00 O ATOM 417 CB ARG A 29 21.484 -7.035 -5.319 1.00 0.00 C ATOM 418 CG ARG A 29 21.204 -7.719 -3.991 1.00 0.00 C ATOM 419 CD ARG A 29 19.741 -8.114 -3.865 1.00 0.00 C ATOM 420 NE ARG A 29 19.309 -8.175 -2.471 1.00 0.00 N ATOM 421 CZ ARG A 29 19.648 -9.154 -1.639 1.00 0.00 C ATOM 422 NH1 ARG A 29 20.420 -10.147 -2.058 1.00 0.00 N ATOM 423 NH2 ARG A 29 19.215 -9.139 -0.385 1.00 0.00 N ATOM 0 H ARG A 29 23.921 -6.196 -4.979 1.00 0.00 H new ATOM 0 HA ARG A 29 22.696 -8.654 -6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 29 21.601 -5.965 -5.149 1.00 0.00 H new ATOM 0 HB3 ARG A 29 20.621 -7.162 -5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 29 21.831 -8.606 -3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 29 21.473 -7.051 -3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.124 -7.396 -4.405 1.00 0.00 H new ATOM 0 HD3 ARG A 29 19.586 -9.085 -4.336 1.00 0.00 H new ATOM 0 HE ARG A 29 18.715 -7.425 -2.117 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.755 -10.161 -3.021 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.679 -10.897 -1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 29 18.622 -8.376 -0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 29 19.475 -9.891 0.253 1.00 0.00 H new ATOM 437 N ASN A 30 23.880 -6.464 -7.861 1.00 0.00 N ATOM 438 CA ASN A 30 24.035 -5.937 -9.212 1.00 0.00 C ATOM 439 C ASN A 30 22.764 -5.227 -9.669 1.00 0.00 C ATOM 440 O ASN A 30 22.391 -5.290 -10.841 1.00 0.00 O ATOM 441 CB ASN A 30 24.379 -7.067 -10.186 1.00 0.00 C ATOM 442 CG ASN A 30 23.295 -8.126 -10.249 1.00 0.00 C ATOM 443 OD1 ASN A 30 22.177 -7.860 -10.691 1.00 0.00 O ATOM 444 ND2 ASN A 30 23.622 -9.334 -9.806 1.00 0.00 N ATOM 0 H ASN A 30 24.694 -6.332 -7.261 1.00 0.00 H new ATOM 0 HA ASN A 30 24.850 -5.214 -9.201 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.534 -6.650 -11.181 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.318 -7.530 -9.884 1.00 0.00 H new ATOM 0 HD21 ASN A 30 22.934 -10.087 -9.823 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.561 -9.509 -9.448 1.00 0.00 H new ATOM 451 N LEU A 31 22.104 -4.551 -8.735 1.00 0.00 N ATOM 452 CA LEU A 31 20.874 -3.827 -9.041 1.00 0.00 C ATOM 453 C LEU A 31 20.697 -2.635 -8.106 1.00 0.00 C ATOM 454 O LEU A 31 21.611 -2.273 -7.364 1.00 0.00 O ATOM 455 CB LEU A 31 19.668 -4.762 -8.929 1.00 0.00 C ATOM 456 CG LEU A 31 19.619 -5.918 -9.928 1.00 0.00 C ATOM 457 CD1 LEU A 31 18.597 -6.956 -9.494 1.00 0.00 C ATOM 458 CD2 LEU A 31 19.300 -5.403 -11.324 1.00 0.00 C ATOM 0 H LEU A 31 22.399 -4.489 -7.761 1.00 0.00 H new ATOM 0 HA LEU A 31 20.944 -3.455 -10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 31 19.649 -5.178 -7.922 1.00 0.00 H new ATOM 0 HB3 LEU A 31 18.761 -4.168 -9.046 1.00 0.00 H new ATOM 0 HG LEU A 31 20.600 -6.393 -9.953 1.00 0.00 H new ATOM 0 HD11 LEU A 31 18.576 -7.771 -10.217 1.00 0.00 H new ATOM 0 HD12 LEU A 31 18.870 -7.347 -8.514 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.611 -6.495 -9.439 1.00 0.00 H new ATOM 0 HD21 LEU A 31 19.269 -6.239 -12.022 1.00 0.00 H new ATOM 0 HD22 LEU A 31 18.332 -4.902 -11.315 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.070 -4.698 -11.636 1.00 0.00 H new ATOM 470 N LYS A 32 19.515 -2.030 -8.145 1.00 0.00 N ATOM 471 CA LYS A 32 19.215 -0.881 -7.299 1.00 0.00 C ATOM 472 C LYS A 32 17.941 -1.115 -6.494 1.00 0.00 C ATOM 473 O LYS A 32 16.847 -1.194 -7.054 1.00 0.00 O ATOM 474 CB LYS A 32 19.067 0.381 -8.152 1.00 0.00 C ATOM 475 CG LYS A 32 20.276 0.671 -9.024 1.00 0.00 C ATOM 476 CD LYS A 32 20.103 0.105 -10.423 1.00 0.00 C ATOM 477 CE LYS A 32 20.484 1.122 -11.488 1.00 0.00 C ATOM 478 NZ LYS A 32 21.204 0.489 -12.627 1.00 0.00 N ATOM 0 H LYS A 32 18.748 -2.316 -8.754 1.00 0.00 H new ATOM 0 HA LYS A 32 20.044 -0.748 -6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.187 0.279 -8.787 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.889 1.234 -7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.433 1.748 -9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.168 0.244 -8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 32 20.719 -0.787 -10.534 1.00 0.00 H new ATOM 0 HD3 LYS A 32 19.067 -0.203 -10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 32 19.585 1.616 -11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 32 21.113 1.894 -11.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 21.446 1.215 -13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 22.075 0.039 -12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 20.594 -0.230 -13.067 1.00 0.00 H new ATOM 492 N ILE A 33 18.090 -1.225 -5.178 1.00 0.00 N ATOM 493 CA ILE A 33 16.950 -1.447 -4.297 1.00 0.00 C ATOM 494 C ILE A 33 16.952 -0.460 -3.135 1.00 0.00 C ATOM 495 O ILE A 33 17.898 0.310 -2.962 1.00 0.00 O ATOM 496 CB ILE A 33 16.943 -2.882 -3.737 1.00 0.00 C ATOM 497 CG1 ILE A 33 17.953 -3.012 -2.595 1.00 0.00 C ATOM 498 CG2 ILE A 33 17.251 -3.883 -4.840 1.00 0.00 C ATOM 499 CD1 ILE A 33 18.217 -4.443 -2.181 1.00 0.00 C ATOM 0 H ILE A 33 18.988 -1.164 -4.699 1.00 0.00 H new ATOM 0 HA ILE A 33 16.053 -1.295 -4.897 1.00 0.00 H new ATOM 0 HB ILE A 33 15.949 -3.098 -3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 33 18.893 -2.551 -2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 33 17.588 -2.454 -1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 33 17.242 -4.892 -4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.497 -3.804 -5.624 1.00 0.00 H new ATOM 0 HG23 ILE A 33 18.234 -3.671 -5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 33 18.942 -4.458 -1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 33 17.287 -4.903 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 33 18.612 -5.000 -3.030 1.00 0.00 H new ATOM 511 N CYS A 34 15.889 -0.489 -2.339 1.00 0.00 N ATOM 512 CA CYS A 34 15.767 0.402 -1.191 1.00 0.00 C ATOM 513 C CYS A 34 16.466 -0.187 0.031 1.00 0.00 C ATOM 514 O CYS A 34 16.702 -1.393 0.103 1.00 0.00 O ATOM 515 CB CYS A 34 14.293 0.661 -0.874 1.00 0.00 C ATOM 516 SG CYS A 34 13.474 1.804 -2.032 1.00 0.00 S ATOM 0 H CYS A 34 15.098 -1.121 -2.468 1.00 0.00 H new ATOM 0 HA CYS A 34 16.249 1.347 -1.443 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.759 -0.289 -0.879 1.00 0.00 H new ATOM 0 HB3 CYS A 34 14.215 1.065 0.135 1.00 0.00 H new ATOM 521 N VAL A 35 16.794 0.673 0.990 1.00 0.00 N ATOM 522 CA VAL A 35 17.464 0.239 2.210 1.00 0.00 C ATOM 523 C VAL A 35 17.068 1.112 3.395 1.00 0.00 C ATOM 524 O VAL A 35 17.691 2.141 3.657 1.00 0.00 O ATOM 525 CB VAL A 35 18.996 0.273 2.051 1.00 0.00 C ATOM 526 CG1 VAL A 35 19.673 -0.337 3.269 1.00 0.00 C ATOM 527 CG2 VAL A 35 19.415 -0.450 0.780 1.00 0.00 C ATOM 0 H VAL A 35 16.607 1.675 0.945 1.00 0.00 H new ATOM 0 HA VAL A 35 17.148 -0.787 2.397 1.00 0.00 H new ATOM 0 HB VAL A 35 19.313 1.313 1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.755 -0.304 3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.398 0.228 4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.353 -1.373 3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.500 -0.416 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.087 -1.488 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.959 0.036 -0.082 1.00 0.00 H new TER 537 VAL A 35