USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=6 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+ -129:sc= 0.0423 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.149 K(o=-0.15,f=-2.2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -80:sc= 0.0446 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= -0.619 (180deg=-2.36!) 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= -3.8 K(o=-3.8,f=-4.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.403 0.117 -2.781 1.00 0.00 N ATOM 2 CA GLY A 1 2.225 -0.183 -1.623 1.00 0.00 C ATOM 3 C GLY A 1 3.504 0.630 -1.594 1.00 0.00 C ATOM 4 O GLY A 1 3.554 1.742 -2.121 1.00 0.00 O ATOM 0 H1 GLY A 1 0.432 0.324 -2.473 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.792 0.943 -3.278 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.396 -0.701 -3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.654 0.012 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.473 -1.244 -1.622 1.00 0.00 H new ATOM 8 N CYS A 2 4.541 0.076 -0.975 1.00 0.00 N ATOM 9 CA CYS A 2 5.826 0.757 -0.876 1.00 0.00 C ATOM 10 C CYS A 2 6.977 -0.218 -1.104 1.00 0.00 C ATOM 11 O CYS A 2 6.806 -1.433 -0.997 1.00 0.00 O ATOM 12 CB CYS A 2 5.971 1.423 0.494 1.00 0.00 C ATOM 13 SG CYS A 2 5.784 0.279 1.900 1.00 0.00 S ATOM 0 H CYS A 2 4.516 -0.843 -0.534 1.00 0.00 H new ATOM 0 HA CYS A 2 5.863 1.523 -1.650 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.950 1.898 0.553 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.227 2.215 0.582 1.00 0.00 H new ATOM 18 N ILE A 3 8.150 0.322 -1.418 1.00 0.00 N ATOM 19 CA ILE A 3 9.329 -0.500 -1.659 1.00 0.00 C ATOM 20 C ILE A 3 10.113 -0.729 -0.371 1.00 0.00 C ATOM 21 O ILE A 3 10.592 0.218 0.253 1.00 0.00 O ATOM 22 CB ILE A 3 10.259 0.143 -2.705 1.00 0.00 C ATOM 23 CG1 ILE A 3 9.476 0.484 -3.974 1.00 0.00 C ATOM 24 CG2 ILE A 3 11.419 -0.789 -3.026 1.00 0.00 C ATOM 25 CD1 ILE A 3 9.568 1.942 -4.367 1.00 0.00 C ATOM 0 H ILE A 3 8.309 1.325 -1.511 1.00 0.00 H new ATOM 0 HA ILE A 3 8.973 -1.457 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 3 10.664 1.067 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.846 -0.129 -4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.428 0.221 -3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 3 12.068 -0.321 -3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.989 -0.987 -2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 3 11.032 -1.727 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.989 2.111 -5.275 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.171 2.561 -3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.610 2.205 -4.547 1.00 0.00 H new ATOM 37 N ALA A 4 10.241 -1.992 0.021 1.00 0.00 N ATOM 38 CA ALA A 4 10.970 -2.346 1.233 1.00 0.00 C ATOM 39 C ALA A 4 12.476 -2.307 0.998 1.00 0.00 C ATOM 40 O ALA A 4 12.935 -2.184 -0.137 1.00 0.00 O ATOM 41 CB ALA A 4 10.545 -3.723 1.721 1.00 0.00 C ATOM 0 H ALA A 4 9.849 -2.788 -0.483 1.00 0.00 H new ATOM 0 HA ALA A 4 10.729 -1.611 2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.097 -3.975 2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.477 -3.719 1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.756 -4.464 0.950 1.00 0.00 H new ATOM 47 N LYS A 5 13.241 -2.411 2.080 1.00 0.00 N ATOM 48 CA LYS A 5 14.696 -2.388 1.993 1.00 0.00 C ATOM 49 C LYS A 5 15.231 -3.713 1.459 1.00 0.00 C ATOM 50 O LYS A 5 15.897 -4.458 2.176 1.00 0.00 O ATOM 51 CB LYS A 5 15.305 -2.097 3.366 1.00 0.00 C ATOM 52 CG LYS A 5 14.776 -2.996 4.470 1.00 0.00 C ATOM 53 CD LYS A 5 13.819 -2.251 5.386 1.00 0.00 C ATOM 54 CE LYS A 5 13.144 -3.193 6.371 1.00 0.00 C ATOM 55 NZ LYS A 5 11.664 -3.026 6.372 1.00 0.00 N ATOM 0 H LYS A 5 12.877 -2.512 3.027 1.00 0.00 H new ATOM 0 HA LYS A 5 14.980 -1.596 1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.387 -2.209 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.107 -1.058 3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.266 -3.853 4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.610 -3.386 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.362 -1.480 5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.062 -1.744 4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.393 -4.223 6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.531 -3.009 7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.241 -3.685 7.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.425 -2.050 6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.291 -3.226 5.422 1.00 0.00 H new ATOM 69 N ASN A 6 14.934 -3.999 0.195 1.00 0.00 N ATOM 70 CA ASN A 6 15.386 -5.235 -0.435 1.00 0.00 C ATOM 71 C ASN A 6 14.905 -5.315 -1.880 1.00 0.00 C ATOM 72 O ASN A 6 15.553 -5.929 -2.729 1.00 0.00 O ATOM 73 CB ASN A 6 14.881 -6.446 0.351 1.00 0.00 C ATOM 74 CG ASN A 6 15.829 -7.627 0.265 1.00 0.00 C ATOM 75 OD1 ASN A 6 17.019 -7.463 -0.005 1.00 0.00 O ATOM 76 ND2 ASN A 6 15.304 -8.825 0.496 1.00 0.00 N ATOM 0 H ASN A 6 14.383 -3.393 -0.413 1.00 0.00 H new ATOM 0 HA ASN A 6 16.476 -5.238 -0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 6 14.746 -6.167 1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 6 13.903 -6.740 -0.029 1.00 0.00 H new ATOM 0 HD21 ASN A 6 15.893 -9.657 0.453 1.00 0.00 H new ATOM 0 HD22 ASN A 6 14.312 -8.913 0.716 1.00 0.00 H new ATOM 83 N LYS A 7 13.765 -4.691 -2.155 1.00 0.00 N ATOM 84 CA LYS A 7 13.196 -4.689 -3.497 1.00 0.00 C ATOM 85 C LYS A 7 13.785 -3.559 -4.336 1.00 0.00 C ATOM 86 O LYS A 7 14.087 -2.484 -3.820 1.00 0.00 O ATOM 87 CB LYS A 7 11.674 -4.548 -3.429 1.00 0.00 C ATOM 88 CG LYS A 7 11.012 -5.545 -2.494 1.00 0.00 C ATOM 89 CD LYS A 7 10.018 -6.427 -3.232 1.00 0.00 C ATOM 90 CE LYS A 7 9.687 -7.680 -2.437 1.00 0.00 C ATOM 91 NZ LYS A 7 8.486 -7.490 -1.577 1.00 0.00 N ATOM 0 H LYS A 7 13.216 -4.179 -1.464 1.00 0.00 H new ATOM 0 HA LYS A 7 13.445 -5.638 -3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.425 -3.538 -3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.261 -4.672 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.774 -6.168 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.501 -5.010 -1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.104 -5.865 -3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.429 -6.708 -4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.515 -8.510 -3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.540 -7.951 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.293 -8.366 -1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.659 -6.715 -0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.666 -7.256 -2.173 1.00 0.00 H new ATOM 105 N GLU A 8 13.945 -3.811 -5.631 1.00 0.00 N ATOM 106 CA GLU A 8 14.497 -2.814 -6.541 1.00 0.00 C ATOM 107 C GLU A 8 13.565 -1.611 -6.659 1.00 0.00 C ATOM 108 O GLU A 8 12.347 -1.741 -6.538 1.00 0.00 O ATOM 109 CB GLU A 8 14.735 -3.427 -7.922 1.00 0.00 C ATOM 110 CG GLU A 8 13.494 -3.454 -8.798 1.00 0.00 C ATOM 111 CD GLU A 8 13.732 -4.146 -10.126 1.00 0.00 C ATOM 112 OE1 GLU A 8 14.800 -3.919 -10.731 1.00 0.00 O ATOM 113 OE2 GLU A 8 12.849 -4.915 -10.560 1.00 0.00 O ATOM 0 H GLU A 8 13.700 -4.697 -6.074 1.00 0.00 H new ATOM 0 HA GLU A 8 15.450 -2.475 -6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.516 -2.863 -8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.105 -4.445 -7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.690 -3.963 -8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.160 -2.433 -8.980 1.00 0.00 H new ATOM 120 N CYS A 9 14.147 -0.440 -6.897 1.00 0.00 N ATOM 121 CA CYS A 9 13.372 0.787 -7.031 1.00 0.00 C ATOM 122 C CYS A 9 14.079 1.780 -7.949 1.00 0.00 C ATOM 123 O CYS A 9 15.298 1.942 -7.883 1.00 0.00 O ATOM 124 CB CYS A 9 13.139 1.421 -5.658 1.00 0.00 C ATOM 125 SG CYS A 9 14.669 1.816 -4.753 1.00 0.00 S ATOM 0 H CYS A 9 15.154 -0.316 -7.001 1.00 0.00 H new ATOM 0 HA CYS A 9 12.409 0.532 -7.474 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.559 2.335 -5.785 1.00 0.00 H new ATOM 0 HB3 CYS A 9 12.537 0.742 -5.054 1.00 0.00 H new ATOM 130 N ALA A 10 13.306 2.442 -8.803 1.00 0.00 N ATOM 131 CA ALA A 10 13.858 3.421 -9.732 1.00 0.00 C ATOM 132 C ALA A 10 13.734 4.836 -9.177 1.00 0.00 C ATOM 133 O ALA A 10 12.779 5.152 -8.468 1.00 0.00 O ATOM 134 CB ALA A 10 13.162 3.318 -11.081 1.00 0.00 C ATOM 0 H ALA A 10 12.296 2.319 -8.871 1.00 0.00 H new ATOM 0 HA ALA A 10 14.918 3.203 -9.864 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.584 4.054 -11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.307 2.318 -11.490 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.096 3.508 -10.956 1.00 0.00 H new ATOM 140 N TRP A 11 14.704 5.681 -9.503 1.00 0.00 N ATOM 141 CA TRP A 11 14.703 7.063 -9.036 1.00 0.00 C ATOM 142 C TRP A 11 13.473 7.808 -9.541 1.00 0.00 C ATOM 143 O TRP A 11 13.121 8.868 -9.024 1.00 0.00 O ATOM 144 CB TRP A 11 15.974 7.779 -9.496 1.00 0.00 C ATOM 145 CG TRP A 11 17.137 7.578 -8.573 1.00 0.00 C ATOM 146 CD1 TRP A 11 17.239 6.653 -7.572 1.00 0.00 C ATOM 147 CD2 TRP A 11 18.362 8.318 -8.564 1.00 0.00 C ATOM 148 NE1 TRP A 11 18.454 6.775 -6.942 1.00 0.00 N ATOM 149 CE2 TRP A 11 19.162 7.788 -7.532 1.00 0.00 C ATOM 150 CE3 TRP A 11 18.863 9.375 -9.328 1.00 0.00 C ATOM 151 CZ2 TRP A 11 20.432 8.282 -7.247 1.00 0.00 C ATOM 152 CZ3 TRP A 11 20.124 9.865 -9.043 1.00 0.00 C ATOM 153 CH2 TRP A 11 20.897 9.318 -8.011 1.00 0.00 C ATOM 0 H TRP A 11 15.502 5.434 -10.089 1.00 0.00 H new ATOM 0 HA TRP A 11 14.675 7.052 -7.946 1.00 0.00 H new ATOM 0 HB2 TRP A 11 16.243 7.423 -10.490 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.770 8.846 -9.584 1.00 0.00 H new ATOM 0 HD1 TRP A 11 16.477 5.932 -7.314 1.00 0.00 H new ATOM 0 HE1 TRP A 11 18.776 6.203 -6.161 1.00 0.00 H new ATOM 0 HE3 TRP A 11 18.275 9.802 -10.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 21.029 7.862 -6.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 20.520 10.683 -9.626 1.00 0.00 H new ATOM 0 HH2 TRP A 11 21.879 9.722 -7.814 1.00 0.00 H new ATOM 164 N PHE A 12 12.822 7.246 -10.555 1.00 0.00 N ATOM 165 CA PHE A 12 11.630 7.859 -11.131 1.00 0.00 C ATOM 166 C PHE A 12 10.514 6.831 -11.292 1.00 0.00 C ATOM 167 O PHE A 12 9.623 6.992 -12.126 1.00 0.00 O ATOM 168 CB PHE A 12 11.959 8.488 -12.487 1.00 0.00 C ATOM 169 CG PHE A 12 11.146 9.713 -12.792 1.00 0.00 C ATOM 170 CD1 PHE A 12 11.452 10.929 -12.202 1.00 0.00 C ATOM 171 CD2 PHE A 12 10.075 9.649 -13.669 1.00 0.00 C ATOM 172 CE1 PHE A 12 10.706 12.058 -12.480 1.00 0.00 C ATOM 173 CE2 PHE A 12 9.326 10.776 -13.952 1.00 0.00 C ATOM 174 CZ PHE A 12 9.641 11.981 -13.356 1.00 0.00 C ATOM 0 H PHE A 12 13.099 6.368 -10.994 1.00 0.00 H new ATOM 0 HA PHE A 12 11.287 8.638 -10.450 1.00 0.00 H new ATOM 0 HB2 PHE A 12 13.017 8.749 -12.511 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.795 7.749 -13.271 1.00 0.00 H new ATOM 0 HD1 PHE A 12 12.284 10.995 -11.516 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.823 8.709 -14.136 1.00 0.00 H new ATOM 0 HE1 PHE A 12 10.955 12.999 -12.013 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.495 10.714 -14.639 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.056 12.862 -13.574 1.00 0.00 H new ATOM 184 N SER A 13 10.571 5.774 -10.488 1.00 0.00 N ATOM 185 CA SER A 13 9.568 4.717 -10.544 1.00 0.00 C ATOM 186 C SER A 13 8.185 5.262 -10.203 1.00 0.00 C ATOM 187 O SER A 13 7.168 4.633 -10.493 1.00 0.00 O ATOM 188 CB SER A 13 9.935 3.586 -9.580 1.00 0.00 C ATOM 189 OG SER A 13 10.092 4.073 -8.259 1.00 0.00 O ATOM 0 H SER A 13 11.301 5.627 -9.791 1.00 0.00 H new ATOM 0 HA SER A 13 9.544 4.325 -11.561 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.158 2.821 -9.599 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.859 3.110 -9.908 1.00 0.00 H new ATOM 0 HG SER A 13 10.979 4.480 -8.163 1.00 0.00 H new ATOM 195 N GLY A 14 8.155 6.439 -9.584 1.00 0.00 N ATOM 196 CA GLY A 14 6.892 7.050 -9.213 1.00 0.00 C ATOM 197 C GLY A 14 6.454 6.671 -7.812 1.00 0.00 C ATOM 198 O GLY A 14 5.647 7.368 -7.198 1.00 0.00 O ATOM 0 H GLY A 14 8.983 6.980 -9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.982 8.134 -9.281 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.123 6.749 -9.925 1.00 0.00 H new ATOM 202 N GLU A 15 6.986 5.563 -7.307 1.00 0.00 N ATOM 203 CA GLU A 15 6.642 5.092 -5.970 1.00 0.00 C ATOM 204 C GLU A 15 7.729 5.464 -4.966 1.00 0.00 C ATOM 205 O GLU A 15 8.759 6.032 -5.332 1.00 0.00 O ATOM 206 CB GLU A 15 6.436 3.576 -5.977 1.00 0.00 C ATOM 207 CG GLU A 15 7.493 2.821 -6.765 1.00 0.00 C ATOM 208 CD GLU A 15 7.017 2.426 -8.149 1.00 0.00 C ATOM 209 OE1 GLU A 15 6.105 3.096 -8.678 1.00 0.00 O ATOM 210 OE2 GLU A 15 7.557 1.446 -8.704 1.00 0.00 O ATOM 0 H GLU A 15 7.656 4.975 -7.802 1.00 0.00 H new ATOM 0 HA GLU A 15 5.713 5.576 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.434 3.214 -4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.455 3.353 -6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.385 3.440 -6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.781 1.925 -6.214 1.00 0.00 H new ATOM 217 N TRP A 16 7.492 5.141 -3.700 1.00 0.00 N ATOM 218 CA TRP A 16 8.451 5.441 -2.642 1.00 0.00 C ATOM 219 C TRP A 16 8.672 4.227 -1.747 1.00 0.00 C ATOM 220 O TRP A 16 7.807 3.357 -1.639 1.00 0.00 O ATOM 221 CB TRP A 16 7.963 6.626 -1.806 1.00 0.00 C ATOM 222 CG TRP A 16 7.265 7.677 -2.614 1.00 0.00 C ATOM 223 CD1 TRP A 16 7.755 8.326 -3.712 1.00 0.00 C ATOM 224 CD2 TRP A 16 5.953 8.202 -2.388 1.00 0.00 C ATOM 225 NE1 TRP A 16 6.825 9.223 -4.181 1.00 0.00 N ATOM 226 CE2 TRP A 16 5.711 9.165 -3.386 1.00 0.00 C ATOM 227 CE3 TRP A 16 4.957 7.950 -1.439 1.00 0.00 C ATOM 228 CZ2 TRP A 16 4.516 9.876 -3.461 1.00 0.00 C ATOM 229 CZ3 TRP A 16 3.772 8.657 -1.515 1.00 0.00 C ATOM 230 CH2 TRP A 16 3.559 9.610 -2.520 1.00 0.00 C ATOM 0 H TRP A 16 6.645 4.672 -3.381 1.00 0.00 H new ATOM 0 HA TRP A 16 9.401 5.701 -3.109 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.285 6.262 -1.034 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.814 7.076 -1.296 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.729 8.159 -4.147 1.00 0.00 H new ATOM 0 HE1 TRP A 16 6.945 9.833 -4.990 1.00 0.00 H new ATOM 0 HE3 TRP A 16 5.111 7.217 -0.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.350 10.611 -4.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.996 8.472 -0.787 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.621 10.145 -2.552 1.00 0.00 H new ATOM 241 N CYS A 17 9.834 4.174 -1.106 1.00 0.00 N ATOM 242 CA CYS A 17 10.170 3.066 -0.219 1.00 0.00 C ATOM 243 C CYS A 17 9.363 3.141 1.074 1.00 0.00 C ATOM 244 O CYS A 17 8.790 4.181 1.402 1.00 0.00 O ATOM 245 CB CYS A 17 11.666 3.075 0.098 1.00 0.00 C ATOM 246 SG CYS A 17 12.733 3.341 -1.354 1.00 0.00 S ATOM 0 H CYS A 17 10.560 4.886 -1.184 1.00 0.00 H new ATOM 0 HA CYS A 17 9.920 2.136 -0.729 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.866 3.857 0.831 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.934 2.126 0.563 1.00 0.00 H new ATOM 251 N CYS A 18 9.324 2.033 1.805 1.00 0.00 N ATOM 252 CA CYS A 18 8.588 1.971 3.062 1.00 0.00 C ATOM 253 C CYS A 18 9.296 2.778 4.147 1.00 0.00 C ATOM 254 O CYS A 18 10.429 3.223 3.964 1.00 0.00 O ATOM 255 CB CYS A 18 8.431 0.518 3.515 1.00 0.00 C ATOM 256 SG CYS A 18 7.571 -0.546 2.311 1.00 0.00 S ATOM 0 H CYS A 18 9.794 1.165 1.549 1.00 0.00 H new ATOM 0 HA CYS A 18 7.601 2.402 2.897 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.419 0.101 3.712 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.883 0.499 4.457 1.00 0.00 H new ATOM 261 N GLY A 19 8.620 2.963 5.276 1.00 0.00 N ATOM 262 CA GLY A 19 9.199 3.716 6.373 1.00 0.00 C ATOM 263 C GLY A 19 9.718 5.071 5.936 1.00 0.00 C ATOM 264 O GLY A 19 8.939 5.974 5.633 1.00 0.00 O ATOM 0 H GLY A 19 7.681 2.605 5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.449 3.852 7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.015 3.142 6.813 1.00 0.00 H new ATOM 268 N ALA A 20 11.039 5.214 5.903 1.00 0.00 N ATOM 269 CA ALA A 20 11.662 6.469 5.499 1.00 0.00 C ATOM 270 C ALA A 20 13.022 6.224 4.854 1.00 0.00 C ATOM 271 O ALA A 20 13.960 6.999 5.045 1.00 0.00 O ATOM 272 CB ALA A 20 11.803 7.398 6.696 1.00 0.00 C ATOM 0 H ALA A 20 11.698 4.476 6.151 1.00 0.00 H new ATOM 0 HA ALA A 20 11.018 6.944 4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.270 8.331 6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.818 7.608 7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.423 6.922 7.455 1.00 0.00 H new ATOM 278 N LEU A 21 13.124 5.141 4.091 1.00 0.00 N ATOM 279 CA LEU A 21 14.371 4.793 3.418 1.00 0.00 C ATOM 280 C LEU A 21 14.362 5.277 1.972 1.00 0.00 C ATOM 281 O LEU A 21 13.303 5.523 1.395 1.00 0.00 O ATOM 282 CB LEU A 21 14.591 3.280 3.461 1.00 0.00 C ATOM 283 CG LEU A 21 14.278 2.593 4.791 1.00 0.00 C ATOM 284 CD1 LEU A 21 13.732 1.194 4.553 1.00 0.00 C ATOM 285 CD2 LEU A 21 15.520 2.541 5.669 1.00 0.00 C ATOM 0 H LEU A 21 12.358 4.489 3.923 1.00 0.00 H new ATOM 0 HA LEU A 21 15.189 5.288 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.978 2.822 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.631 3.077 3.206 1.00 0.00 H new ATOM 0 HG LEU A 21 13.516 3.175 5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.515 0.720 5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.817 1.256 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.472 0.601 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.279 2.049 6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.304 1.982 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.868 3.555 5.868 1.00 0.00 H new ATOM 297 N SER A 22 15.550 5.410 1.391 1.00 0.00 N ATOM 298 CA SER A 22 15.680 5.866 0.012 1.00 0.00 C ATOM 299 C SER A 22 16.174 4.738 -0.889 1.00 0.00 C ATOM 300 O SER A 22 16.298 3.591 -0.457 1.00 0.00 O ATOM 301 CB SER A 22 16.640 7.054 -0.066 1.00 0.00 C ATOM 302 OG SER A 22 15.946 8.281 0.075 1.00 0.00 O ATOM 0 H SER A 22 16.436 5.208 1.854 1.00 0.00 H new ATOM 0 HA SER A 22 14.696 6.180 -0.335 1.00 0.00 H new ATOM 0 HB2 SER A 22 17.395 6.968 0.716 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.166 7.038 -1.020 1.00 0.00 H new ATOM 0 HG SER A 22 16.582 9.025 0.023 1.00 0.00 H new ATOM 308 N CYS A 23 16.455 5.072 -2.144 1.00 0.00 N ATOM 309 CA CYS A 23 16.935 4.089 -3.108 1.00 0.00 C ATOM 310 C CYS A 23 18.454 4.156 -3.242 1.00 0.00 C ATOM 311 O CYS A 23 19.010 5.186 -3.622 1.00 0.00 O ATOM 312 CB CYS A 23 16.281 4.320 -4.472 1.00 0.00 C ATOM 313 SG CYS A 23 14.506 3.913 -4.523 1.00 0.00 S ATOM 0 H CYS A 23 16.359 6.016 -2.517 1.00 0.00 H new ATOM 0 HA CYS A 23 16.663 3.098 -2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 23 16.412 5.365 -4.753 1.00 0.00 H new ATOM 0 HB3 CYS A 23 16.802 3.721 -5.219 1.00 0.00 H new ATOM 318 N LYS A 24 19.119 3.050 -2.928 1.00 0.00 N ATOM 319 CA LYS A 24 20.573 2.980 -3.014 1.00 0.00 C ATOM 320 C LYS A 24 21.009 1.852 -3.944 1.00 0.00 C ATOM 321 O LYS A 24 20.300 0.860 -4.107 1.00 0.00 O ATOM 322 CB LYS A 24 21.178 2.771 -1.624 1.00 0.00 C ATOM 323 CG LYS A 24 20.624 3.717 -0.572 1.00 0.00 C ATOM 324 CD LYS A 24 19.360 3.165 0.065 1.00 0.00 C ATOM 325 CE LYS A 24 19.071 3.831 1.401 1.00 0.00 C ATOM 326 NZ LYS A 24 19.132 5.316 1.305 1.00 0.00 N ATOM 0 H LYS A 24 18.674 2.189 -2.611 1.00 0.00 H new ATOM 0 HA LYS A 24 20.933 3.924 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.997 1.744 -1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.259 2.900 -1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.376 3.887 0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.410 4.684 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.516 3.317 -0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.464 2.089 0.209 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.084 3.530 1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.791 3.485 2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 18.456 5.735 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.093 5.640 1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.889 5.612 0.338 1.00 0.00 H new ATOM 340 N TYR A 25 22.181 2.011 -4.550 1.00 0.00 N ATOM 341 CA TYR A 25 22.711 1.007 -5.464 1.00 0.00 C ATOM 342 C TYR A 25 23.357 -0.142 -4.696 1.00 0.00 C ATOM 343 O TYR A 25 24.182 0.076 -3.808 1.00 0.00 O ATOM 344 CB TYR A 25 23.732 1.638 -6.412 1.00 0.00 C ATOM 345 CG TYR A 25 24.340 0.657 -7.388 1.00 0.00 C ATOM 346 CD1 TYR A 25 25.434 -0.121 -7.031 1.00 0.00 C ATOM 347 CD2 TYR A 25 23.819 0.505 -8.668 1.00 0.00 C ATOM 348 CE1 TYR A 25 25.994 -1.018 -7.920 1.00 0.00 C ATOM 349 CE2 TYR A 25 24.371 -0.391 -9.562 1.00 0.00 C ATOM 350 CZ TYR A 25 25.458 -1.150 -9.184 1.00 0.00 C ATOM 351 OH TYR A 25 26.011 -2.044 -10.072 1.00 0.00 O ATOM 0 H TYR A 25 22.782 2.826 -4.424 1.00 0.00 H new ATOM 0 HA TYR A 25 21.880 0.609 -6.047 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.250 2.441 -6.970 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.529 2.093 -5.824 1.00 0.00 H new ATOM 0 HD1 TYR A 25 25.854 -0.023 -6.041 1.00 0.00 H new ATOM 0 HD2 TYR A 25 22.968 1.098 -8.968 1.00 0.00 H new ATOM 0 HE1 TYR A 25 26.847 -1.613 -7.627 1.00 0.00 H new ATOM 0 HE2 TYR A 25 23.953 -0.497 -10.552 1.00 0.00 H new ATOM 0 HH TYR A 25 25.515 -2.015 -10.917 1.00 0.00 H new ATOM 361 N SER A 26 22.976 -1.367 -5.044 1.00 0.00 N ATOM 362 CA SER A 26 23.515 -2.551 -4.387 1.00 0.00 C ATOM 363 C SER A 26 24.428 -3.329 -5.330 1.00 0.00 C ATOM 364 O SER A 26 23.961 -4.108 -6.161 1.00 0.00 O ATOM 365 CB SER A 26 22.378 -3.453 -3.901 1.00 0.00 C ATOM 366 OG SER A 26 21.989 -3.116 -2.581 1.00 0.00 O ATOM 0 H SER A 26 22.296 -1.565 -5.778 1.00 0.00 H new ATOM 0 HA SER A 26 24.102 -2.223 -3.529 1.00 0.00 H new ATOM 0 HB2 SER A 26 21.523 -3.359 -4.571 1.00 0.00 H new ATOM 0 HB3 SER A 26 22.696 -4.495 -3.935 1.00 0.00 H new ATOM 0 HG SER A 26 21.260 -3.705 -2.294 1.00 0.00 H new ATOM 372 N ILE A 27 25.732 -3.111 -5.195 1.00 0.00 N ATOM 373 CA ILE A 27 26.711 -3.791 -6.034 1.00 0.00 C ATOM 374 C ILE A 27 26.547 -5.305 -5.952 1.00 0.00 C ATOM 375 O ILE A 27 26.560 -5.998 -6.970 1.00 0.00 O ATOM 376 CB ILE A 27 28.150 -3.419 -5.634 1.00 0.00 C ATOM 377 CG1 ILE A 27 28.259 -1.915 -5.375 1.00 0.00 C ATOM 378 CG2 ILE A 27 29.129 -3.847 -6.717 1.00 0.00 C ATOM 379 CD1 ILE A 27 28.330 -1.558 -3.906 1.00 0.00 C ATOM 0 H ILE A 27 26.135 -2.469 -4.513 1.00 0.00 H new ATOM 0 HA ILE A 27 26.532 -3.463 -7.058 1.00 0.00 H new ATOM 0 HB ILE A 27 28.402 -3.946 -4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 27 29.147 -1.532 -5.877 1.00 0.00 H new ATOM 0 HG13 ILE A 27 27.400 -1.414 -5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 27 30.142 -3.577 -6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 27 29.068 -4.926 -6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 27 28.880 -3.345 -7.652 1.00 0.00 H new ATOM 0 HD11 ILE A 27 28.406 -0.476 -3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.430 -1.911 -3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 27 29.205 -2.030 -3.459 1.00 0.00 H new ATOM 391 N LYS A 28 26.392 -5.813 -4.734 1.00 0.00 N ATOM 392 CA LYS A 28 26.222 -7.245 -4.518 1.00 0.00 C ATOM 393 C LYS A 28 25.033 -7.778 -5.310 1.00 0.00 C ATOM 394 O LYS A 28 25.077 -8.886 -5.844 1.00 0.00 O ATOM 395 CB LYS A 28 26.029 -7.537 -3.028 1.00 0.00 C ATOM 396 CG LYS A 28 24.923 -6.717 -2.386 1.00 0.00 C ATOM 397 CD LYS A 28 23.739 -7.586 -1.996 1.00 0.00 C ATOM 398 CE LYS A 28 24.048 -8.431 -0.770 1.00 0.00 C ATOM 399 NZ LYS A 28 22.819 -8.748 0.009 1.00 0.00 N ATOM 0 H LYS A 28 26.381 -5.254 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 28 27.123 -7.749 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 28 25.806 -8.596 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 28 26.965 -7.343 -2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.311 -6.211 -1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 28 24.594 -5.942 -3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 28 22.873 -6.955 -1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 28 23.473 -8.236 -2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 28 24.531 -9.358 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 28 24.756 -7.901 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.072 -9.325 0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 22.372 -7.864 0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 22.154 -9.276 -0.591 1.00 0.00 H new ATOM 413 N ARG A 29 23.972 -6.981 -5.383 1.00 0.00 N ATOM 414 CA ARG A 29 22.771 -7.373 -6.111 1.00 0.00 C ATOM 415 C ARG A 29 22.804 -6.842 -7.541 1.00 0.00 C ATOM 416 O ARG A 29 21.834 -6.977 -8.286 1.00 0.00 O ATOM 417 CB ARG A 29 21.522 -6.856 -5.393 1.00 0.00 C ATOM 418 CG ARG A 29 21.239 -7.565 -4.078 1.00 0.00 C ATOM 419 CD ARG A 29 19.778 -7.974 -3.970 1.00 0.00 C ATOM 420 NE ARG A 29 19.576 -9.377 -4.319 1.00 0.00 N ATOM 421 CZ ARG A 29 18.472 -10.056 -4.024 1.00 0.00 C ATOM 422 NH1 ARG A 29 17.477 -9.463 -3.379 1.00 0.00 N ATOM 423 NH2 ARG A 29 18.362 -11.331 -4.375 1.00 0.00 N ATOM 0 H ARG A 29 23.920 -6.060 -4.947 1.00 0.00 H new ATOM 0 HA ARG A 29 22.738 -8.462 -6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 29 21.638 -5.789 -5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 29 20.661 -6.971 -6.051 1.00 0.00 H new ATOM 0 HG2 ARG A 29 21.872 -8.448 -3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 29 21.497 -6.909 -3.247 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.427 -7.799 -2.953 1.00 0.00 H new ATOM 0 HD3 ARG A 29 19.176 -7.347 -4.627 1.00 0.00 H new ATOM 0 HE ARG A 29 20.323 -9.863 -4.816 1.00 0.00 H new ATOM 0 HH11 ARG A 29 17.557 -8.483 -3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.631 -9.987 -3.154 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.125 -11.791 -4.872 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.514 -11.851 -4.148 1.00 0.00 H new ATOM 437 N ASN A 30 23.927 -6.239 -7.917 1.00 0.00 N ATOM 438 CA ASN A 30 24.086 -5.687 -9.257 1.00 0.00 C ATOM 439 C ASN A 30 22.818 -4.964 -9.702 1.00 0.00 C ATOM 440 O ASN A 30 22.449 -5.001 -10.877 1.00 0.00 O ATOM 441 CB ASN A 30 24.428 -6.799 -10.252 1.00 0.00 C ATOM 442 CG ASN A 30 23.340 -7.852 -10.339 1.00 0.00 C ATOM 443 OD1 ASN A 30 22.225 -7.572 -10.781 1.00 0.00 O ATOM 444 ND2 ASN A 30 23.660 -9.069 -9.917 1.00 0.00 N ATOM 0 H ASN A 30 24.740 -6.120 -7.313 1.00 0.00 H new ATOM 0 HA ASN A 30 24.904 -4.967 -9.231 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.588 -6.364 -11.238 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.365 -7.272 -9.956 1.00 0.00 H new ATOM 0 HD21 ASN A 30 22.969 -9.819 -9.951 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.597 -9.255 -9.559 1.00 0.00 H new ATOM 451 N LEU A 31 22.157 -4.307 -8.757 1.00 0.00 N ATOM 452 CA LEU A 31 20.930 -3.574 -9.051 1.00 0.00 C ATOM 453 C LEU A 31 20.754 -2.401 -8.091 1.00 0.00 C ATOM 454 O LEU A 31 21.666 -2.057 -7.339 1.00 0.00 O ATOM 455 CB LEU A 31 19.721 -4.507 -8.961 1.00 0.00 C ATOM 456 CG LEU A 31 19.674 -5.643 -9.983 1.00 0.00 C ATOM 457 CD1 LEU A 31 18.642 -6.684 -9.575 1.00 0.00 C ATOM 458 CD2 LEU A 31 19.366 -5.100 -11.371 1.00 0.00 C ATOM 0 H LEU A 31 22.449 -4.266 -7.781 1.00 0.00 H new ATOM 0 HA LEU A 31 21.004 -3.182 -10.065 1.00 0.00 H new ATOM 0 HB2 LEU A 31 19.697 -4.942 -7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 31 18.816 -3.909 -9.070 1.00 0.00 H new ATOM 0 HG LEU A 31 20.653 -6.122 -10.011 1.00 0.00 H new ATOM 0 HD11 LEU A 31 18.622 -7.485 -10.314 1.00 0.00 H new ATOM 0 HD12 LEU A 31 18.906 -7.095 -8.601 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.658 -6.218 -9.518 1.00 0.00 H new ATOM 0 HD21 LEU A 31 19.337 -5.923 -12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 31 18.400 -4.596 -11.358 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.141 -4.392 -11.665 1.00 0.00 H new ATOM 470 N LYS A 32 19.573 -1.791 -8.121 1.00 0.00 N ATOM 471 CA LYS A 32 19.275 -0.659 -7.252 1.00 0.00 C ATOM 472 C LYS A 32 18.036 -0.934 -6.406 1.00 0.00 C ATOM 473 O LYS A 32 16.920 -0.995 -6.924 1.00 0.00 O ATOM 474 CB LYS A 32 19.065 0.608 -8.085 1.00 0.00 C ATOM 475 CG LYS A 32 20.330 1.108 -8.761 1.00 0.00 C ATOM 476 CD LYS A 32 20.503 0.496 -10.142 1.00 0.00 C ATOM 477 CE LYS A 32 19.443 0.998 -11.111 1.00 0.00 C ATOM 478 NZ LYS A 32 19.872 0.845 -12.529 1.00 0.00 N ATOM 0 H LYS A 32 18.807 -2.062 -8.738 1.00 0.00 H new ATOM 0 HA LYS A 32 20.124 -0.512 -6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.310 0.411 -8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.672 1.395 -7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.294 2.194 -8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.194 0.865 -8.143 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.493 0.738 -10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.446 -0.590 -10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.515 0.449 -10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 32 19.232 2.048 -10.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.123 1.198 -13.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.744 1.389 -12.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 20.049 -0.160 -12.732 1.00 0.00 H new ATOM 492 N ILE A 33 18.239 -1.099 -5.103 1.00 0.00 N ATOM 493 CA ILE A 33 17.138 -1.365 -4.186 1.00 0.00 C ATOM 494 C ILE A 33 17.138 -0.376 -3.026 1.00 0.00 C ATOM 495 O ILE A 33 18.075 0.406 -2.862 1.00 0.00 O ATOM 496 CB ILE A 33 17.207 -2.798 -3.625 1.00 0.00 C ATOM 497 CG1 ILE A 33 18.222 -2.872 -2.482 1.00 0.00 C ATOM 498 CG2 ILE A 33 17.570 -3.782 -4.727 1.00 0.00 C ATOM 499 CD1 ILE A 33 18.592 -4.287 -2.094 1.00 0.00 C ATOM 0 H ILE A 33 19.156 -1.053 -4.659 1.00 0.00 H new ATOM 0 HA ILE A 33 16.217 -1.251 -4.757 1.00 0.00 H new ATOM 0 HB ILE A 33 16.226 -3.067 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 33 19.125 -2.336 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 33 17.814 -2.360 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 33 17.615 -4.790 -4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.815 -3.744 -5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 33 18.541 -3.518 -5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 33 19.315 -4.263 -1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 33 17.698 -4.821 -1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 33 19.030 -4.797 -2.952 1.00 0.00 H new ATOM 511 N CYS A 34 16.080 -0.416 -2.222 1.00 0.00 N ATOM 512 CA CYS A 34 15.957 0.476 -1.076 1.00 0.00 C ATOM 513 C CYS A 34 16.661 -0.108 0.146 1.00 0.00 C ATOM 514 O CYS A 34 16.908 -1.312 0.217 1.00 0.00 O ATOM 515 CB CYS A 34 14.482 0.728 -0.755 1.00 0.00 C ATOM 516 SG CYS A 34 13.625 1.777 -1.974 1.00 0.00 S ATOM 0 H CYS A 34 15.296 -1.057 -2.344 1.00 0.00 H new ATOM 0 HA CYS A 34 16.434 1.422 -1.331 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.966 -0.230 -0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 34 14.410 1.196 0.227 1.00 0.00 H new ATOM 521 N VAL A 35 16.983 0.755 1.105 1.00 0.00 N ATOM 522 CA VAL A 35 17.658 0.326 2.324 1.00 0.00 C ATOM 523 C VAL A 35 17.271 1.208 3.506 1.00 0.00 C ATOM 524 O VAL A 35 17.849 2.275 3.712 1.00 0.00 O ATOM 525 CB VAL A 35 19.189 0.352 2.157 1.00 0.00 C ATOM 526 CG1 VAL A 35 19.870 -0.239 3.382 1.00 0.00 C ATOM 527 CG2 VAL A 35 19.600 -0.394 0.896 1.00 0.00 C ATOM 0 H VAL A 35 16.787 1.755 1.061 1.00 0.00 H new ATOM 0 HA VAL A 35 17.339 -0.698 2.519 1.00 0.00 H new ATOM 0 HB VAL A 35 19.509 1.389 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.951 -0.212 3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.601 0.342 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.547 -1.271 3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.685 -0.366 0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.269 -1.430 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 35 19.141 0.079 0.028 1.00 0.00 H new TER 537 VAL A 35