USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 320 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 20 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.127) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0112) USER MOD Single : A 16 SER OG : rot -40:sc= 0.00447 USER MOD Single : A 21 TYR OH : rot 155:sc= 1.07 USER MOD Single : A 23 ASN : amide:sc= 0.422 K(o=0.42,f=-3.5!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0701 K(o=-0.07,f=-1.3) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0645 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0748 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -22.619 -2.028 10.108 1.00 0.00 N ATOM 2 CA LYS A 1 -21.769 -1.686 8.931 1.00 0.00 C ATOM 3 C LYS A 1 -20.330 -1.392 9.388 1.00 0.00 C ATOM 4 O LYS A 1 -20.088 -0.370 10.035 1.00 0.00 O ATOM 5 CB LYS A 1 -22.389 -0.507 8.135 1.00 0.00 C ATOM 6 CG LYS A 1 -21.729 -0.241 6.767 1.00 0.00 C ATOM 7 CD LYS A 1 -22.072 -1.256 5.656 1.00 0.00 C ATOM 8 CE LYS A 1 -23.287 -0.868 4.791 1.00 0.00 C ATOM 9 NZ LYS A 1 -24.594 -1.043 5.480 1.00 0.00 N ATOM 0 H1 LYS A 1 -23.589 -2.225 9.790 1.00 0.00 H new ATOM 0 H2 LYS A 1 -22.233 -2.869 10.583 1.00 0.00 H new ATOM 0 H3 LYS A 1 -22.628 -1.229 10.773 1.00 0.00 H new ATOM 0 HA LYS A 1 -21.729 -2.539 8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -23.449 -0.708 7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -22.321 0.398 8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -22.021 0.753 6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -20.647 -0.227 6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -21.203 -1.374 5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -22.263 -2.227 6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -23.185 0.173 4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -23.282 -1.470 3.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -25.367 -0.895 4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -24.655 -2.005 5.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -24.674 -0.351 6.253 1.00 0.00 H new ATOM 25 N LYS A 2 -19.380 -2.299 9.103 1.00 0.00 N ATOM 26 CA LYS A 2 -17.977 -2.272 9.596 1.00 0.00 C ATOM 27 C LYS A 2 -16.905 -2.480 8.506 1.00 0.00 C ATOM 28 O LYS A 2 -15.725 -2.633 8.828 1.00 0.00 O ATOM 29 CB LYS A 2 -17.824 -3.298 10.743 1.00 0.00 C ATOM 30 CG LYS A 2 -18.579 -2.888 12.020 1.00 0.00 C ATOM 31 CD LYS A 2 -18.354 -3.908 13.149 1.00 0.00 C ATOM 32 CE LYS A 2 -19.088 -3.524 14.443 1.00 0.00 C ATOM 33 NZ LYS A 2 -18.464 -2.360 15.130 1.00 0.00 N ATOM 0 H LYS A 2 -19.566 -3.102 8.503 1.00 0.00 H new ATOM 0 HA LYS A 2 -17.792 -1.262 9.962 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -18.190 -4.268 10.407 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -16.766 -3.420 10.976 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -18.243 -1.903 12.344 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.645 -2.807 11.806 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -18.694 -4.890 12.820 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -17.286 -3.991 13.352 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -20.127 -3.290 14.211 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -19.096 -4.379 15.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.996 -2.142 15.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.480 -2.589 15.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.479 -1.535 14.497 1.00 0.00 H new ATOM 47 N VAL A 3 -17.288 -2.485 7.224 1.00 0.00 N ATOM 48 CA VAL A 3 -16.413 -2.800 6.072 1.00 0.00 C ATOM 49 C VAL A 3 -16.254 -1.576 5.158 1.00 0.00 C ATOM 50 O VAL A 3 -17.236 -0.910 4.818 1.00 0.00 O ATOM 51 CB VAL A 3 -16.946 -4.015 5.281 1.00 0.00 C ATOM 52 CG1 VAL A 3 -15.936 -4.495 4.231 1.00 0.00 C ATOM 53 CG2 VAL A 3 -17.244 -5.214 6.197 1.00 0.00 C ATOM 0 H VAL A 3 -18.243 -2.264 6.943 1.00 0.00 H new ATOM 0 HA VAL A 3 -15.429 -3.064 6.461 1.00 0.00 H new ATOM 0 HB VAL A 3 -17.862 -3.669 4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -16.347 -5.351 3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -15.733 -3.689 3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -15.009 -4.787 4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -17.616 -6.045 5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -16.331 -5.516 6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.996 -4.931 6.933 1.00 0.00 H new ATOM 63 N CYS A 4 -15.011 -1.271 4.777 1.00 0.00 N ATOM 64 CA CYS A 4 -14.644 -0.160 3.890 1.00 0.00 C ATOM 65 C CYS A 4 -15.048 -0.398 2.417 1.00 0.00 C ATOM 66 O CYS A 4 -15.389 -1.514 2.016 1.00 0.00 O ATOM 67 CB CYS A 4 -13.126 0.061 4.001 1.00 0.00 C ATOM 68 SG CYS A 4 -12.525 0.431 5.672 1.00 0.00 S ATOM 0 H CYS A 4 -14.202 -1.809 5.088 1.00 0.00 H new ATOM 0 HA CYS A 4 -15.193 0.726 4.209 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -12.617 -0.831 3.637 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -12.844 0.881 3.340 1.00 0.00 H new ATOM 0 HG CYS A 4 -11.236 0.595 5.643 1.00 0.00 H new ATOM 73 N ALA A 5 -14.957 0.646 1.583 1.00 0.00 N ATOM 74 CA ALA A 5 -15.169 0.554 0.131 1.00 0.00 C ATOM 75 C ALA A 5 -14.046 -0.206 -0.613 1.00 0.00 C ATOM 76 O ALA A 5 -14.288 -0.788 -1.674 1.00 0.00 O ATOM 77 CB ALA A 5 -15.331 1.975 -0.424 1.00 0.00 C ATOM 0 H ALA A 5 -14.732 1.589 1.900 1.00 0.00 H new ATOM 0 HA ALA A 5 -16.071 -0.033 -0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.490 1.929 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -16.188 2.455 0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -14.431 2.552 -0.214 1.00 0.00 H new ATOM 83 N CYS A 6 -12.825 -0.220 -0.066 1.00 0.00 N ATOM 84 CA CYS A 6 -11.688 -0.981 -0.565 1.00 0.00 C ATOM 85 C CYS A 6 -11.884 -2.513 -0.440 1.00 0.00 C ATOM 86 O CYS A 6 -12.646 -2.976 0.418 1.00 0.00 O ATOM 87 CB CYS A 6 -10.448 -0.513 0.212 1.00 0.00 C ATOM 88 SG CYS A 6 -9.679 1.001 -0.426 1.00 0.00 S ATOM 0 H CYS A 6 -12.600 0.321 0.768 1.00 0.00 H new ATOM 0 HA CYS A 6 -11.573 -0.795 -1.633 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.728 -0.351 1.253 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -9.707 -1.312 0.202 1.00 0.00 H new ATOM 93 N PRO A 7 -11.185 -3.314 -1.269 1.00 0.00 N ATOM 94 CA PRO A 7 -11.292 -4.772 -1.279 1.00 0.00 C ATOM 95 C PRO A 7 -10.481 -5.431 -0.149 1.00 0.00 C ATOM 96 O PRO A 7 -9.710 -4.772 0.557 1.00 0.00 O ATOM 97 CB PRO A 7 -10.774 -5.178 -2.661 1.00 0.00 C ATOM 98 CG PRO A 7 -9.692 -4.138 -2.946 1.00 0.00 C ATOM 99 CD PRO A 7 -10.218 -2.875 -2.266 1.00 0.00 C ATOM 0 HA PRO A 7 -12.315 -5.103 -1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.369 -6.190 -2.658 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.565 -5.153 -3.411 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.728 -4.441 -2.538 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.552 -3.988 -4.017 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.405 -2.319 -1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.684 -2.209 -2.992 1.00 0.00 H new ATOM 107 N LYS A 8 -10.630 -6.755 -0.008 1.00 0.00 N ATOM 108 CA LYS A 8 -10.066 -7.583 1.069 1.00 0.00 C ATOM 109 C LYS A 8 -9.168 -8.736 0.572 1.00 0.00 C ATOM 110 O LYS A 8 -8.823 -9.644 1.330 1.00 0.00 O ATOM 111 CB LYS A 8 -11.249 -7.995 1.970 1.00 0.00 C ATOM 112 CG LYS A 8 -10.806 -8.574 3.318 1.00 0.00 C ATOM 113 CD LYS A 8 -11.901 -8.570 4.396 1.00 0.00 C ATOM 114 CE LYS A 8 -12.155 -7.159 4.946 1.00 0.00 C ATOM 115 NZ LYS A 8 -13.086 -7.189 6.106 1.00 0.00 N ATOM 0 H LYS A 8 -11.173 -7.305 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.350 -7.014 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.884 -7.126 2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.857 -8.733 1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.465 -9.598 3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.951 -8.004 3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.825 -8.968 3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.610 -9.231 5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.209 -6.709 5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.571 -6.530 4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.237 -6.221 6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.996 -7.597 5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.676 -7.770 6.865 1.00 0.00 H new ATOM 129 N ILE A 9 -8.760 -8.706 -0.701 1.00 0.00 N ATOM 130 CA ILE A 9 -7.794 -9.620 -1.299 1.00 0.00 C ATOM 131 C ILE A 9 -6.420 -9.564 -0.604 1.00 0.00 C ATOM 132 O ILE A 9 -6.078 -8.588 0.069 1.00 0.00 O ATOM 133 CB ILE A 9 -7.676 -9.347 -2.816 1.00 0.00 C ATOM 134 CG1 ILE A 9 -6.724 -8.205 -3.251 1.00 0.00 C ATOM 135 CG2 ILE A 9 -9.042 -9.247 -3.522 1.00 0.00 C ATOM 136 CD1 ILE A 9 -7.113 -6.791 -2.810 1.00 0.00 C ATOM 0 H ILE A 9 -9.110 -8.016 -1.365 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.163 -10.635 -1.154 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.174 -10.249 -3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.729 -8.423 -2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.651 -8.216 -4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.889 -9.055 -4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.585 -10.184 -3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.619 -8.432 -3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.372 -6.080 -3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.091 -6.538 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.154 -6.748 -1.722 1.00 0.00 H new ATOM 148 N LEU A 10 -5.601 -10.596 -0.817 1.00 0.00 N ATOM 149 CA LEU A 10 -4.257 -10.729 -0.245 1.00 0.00 C ATOM 150 C LEU A 10 -3.202 -10.285 -1.280 1.00 0.00 C ATOM 151 O LEU A 10 -2.549 -11.116 -1.917 1.00 0.00 O ATOM 152 CB LEU A 10 -4.103 -12.176 0.282 1.00 0.00 C ATOM 153 CG LEU A 10 -3.119 -12.342 1.456 1.00 0.00 C ATOM 154 CD1 LEU A 10 -3.192 -13.779 1.977 1.00 0.00 C ATOM 155 CD2 LEU A 10 -1.664 -12.052 1.090 1.00 0.00 C ATOM 0 H LEU A 10 -5.861 -11.385 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.099 -10.069 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.082 -12.539 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.775 -12.813 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.421 -11.613 2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.497 -13.901 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.205 -13.992 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.926 -14.470 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.033 -12.190 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.344 -12.734 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.575 -11.024 0.738 1.00 0.00 H new ATOM 167 N LYS A 11 -3.057 -8.963 -1.481 1.00 0.00 N ATOM 168 CA LYS A 11 -2.095 -8.366 -2.429 1.00 0.00 C ATOM 169 C LYS A 11 -1.437 -7.100 -1.842 1.00 0.00 C ATOM 170 O LYS A 11 -1.746 -5.990 -2.282 1.00 0.00 O ATOM 171 CB LYS A 11 -2.801 -8.151 -3.786 1.00 0.00 C ATOM 172 CG LYS A 11 -1.848 -7.708 -4.912 1.00 0.00 C ATOM 173 CD LYS A 11 -2.541 -7.703 -6.286 1.00 0.00 C ATOM 174 CE LYS A 11 -2.681 -9.096 -6.917 1.00 0.00 C ATOM 175 NZ LYS A 11 -1.374 -9.629 -7.391 1.00 0.00 N ATOM 0 H LYS A 11 -3.613 -8.268 -0.983 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.261 -9.045 -2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.293 -9.078 -4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.582 -7.400 -3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.469 -6.710 -4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.988 -8.376 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.532 -7.261 -6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.977 -7.063 -6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.109 -9.783 -6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.377 -9.046 -7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.526 -10.532 -7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.937 -8.947 -8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.745 -9.782 -6.577 1.00 0.00 H new ATOM 189 N PRO A 12 -0.566 -7.244 -0.821 1.00 0.00 N ATOM 190 CA PRO A 12 0.099 -6.117 -0.173 1.00 0.00 C ATOM 191 C PRO A 12 1.157 -5.461 -1.069 1.00 0.00 C ATOM 192 O PRO A 12 1.548 -5.999 -2.102 1.00 0.00 O ATOM 193 CB PRO A 12 0.693 -6.681 1.123 1.00 0.00 C ATOM 194 CG PRO A 12 0.923 -8.155 0.811 1.00 0.00 C ATOM 195 CD PRO A 12 -0.196 -8.493 -0.172 1.00 0.00 C ATOM 0 HA PRO A 12 -0.605 -5.311 0.034 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.624 -6.179 1.387 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.011 -6.552 1.964 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.906 -8.323 0.372 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.866 -8.769 1.710 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.140 -9.227 -0.905 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.050 -8.929 0.347 1.00 0.00 H new ATOM 203 N VAL A 13 1.624 -4.289 -0.648 1.00 0.00 N ATOM 204 CA VAL A 13 2.501 -3.344 -1.363 1.00 0.00 C ATOM 205 C VAL A 13 3.583 -2.770 -0.438 1.00 0.00 C ATOM 206 O VAL A 13 3.465 -2.856 0.787 1.00 0.00 O ATOM 207 CB VAL A 13 1.662 -2.190 -1.955 1.00 0.00 C ATOM 208 CG1 VAL A 13 0.693 -2.699 -3.027 1.00 0.00 C ATOM 209 CG2 VAL A 13 0.857 -1.425 -0.890 1.00 0.00 C ATOM 0 H VAL A 13 1.383 -3.939 0.279 1.00 0.00 H new ATOM 0 HA VAL A 13 2.995 -3.891 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 13 2.384 -1.504 -2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.117 -1.863 -3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.257 -3.167 -3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.015 -3.430 -2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.288 -0.627 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.172 -2.110 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.540 -0.996 -0.157 1.00 0.00 H new ATOM 219 N CYS A 14 4.595 -2.109 -1.006 1.00 0.00 N ATOM 220 CA CYS A 14 5.552 -1.287 -0.264 1.00 0.00 C ATOM 221 C CYS A 14 5.315 0.195 -0.586 1.00 0.00 C ATOM 222 O CYS A 14 5.566 0.635 -1.711 1.00 0.00 O ATOM 223 CB CYS A 14 6.996 -1.717 -0.566 1.00 0.00 C ATOM 224 SG CYS A 14 8.152 -1.044 0.653 1.00 0.00 S ATOM 0 H CYS A 14 4.774 -2.131 -2.010 1.00 0.00 H new ATOM 0 HA CYS A 14 5.398 -1.432 0.805 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.060 -2.805 -0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.278 -1.378 -1.563 1.00 0.00 H new ATOM 229 N GLY A 15 4.777 0.965 0.363 1.00 0.00 N ATOM 230 CA GLY A 15 4.531 2.405 0.211 1.00 0.00 C ATOM 231 C GLY A 15 5.805 3.262 0.154 1.00 0.00 C ATOM 232 O GLY A 15 6.856 2.885 0.677 1.00 0.00 O ATOM 0 H GLY A 15 4.495 0.602 1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.956 2.569 -0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.915 2.746 1.043 1.00 0.00 H new ATOM 236 N SER A 16 5.709 4.451 -0.454 1.00 0.00 N ATOM 237 CA SER A 16 6.825 5.407 -0.599 1.00 0.00 C ATOM 238 C SER A 16 7.273 6.053 0.727 1.00 0.00 C ATOM 239 O SER A 16 8.365 6.618 0.809 1.00 0.00 O ATOM 240 CB SER A 16 6.432 6.484 -1.620 1.00 0.00 C ATOM 241 OG SER A 16 7.570 7.181 -2.105 1.00 0.00 O ATOM 0 H SER A 16 4.839 4.786 -0.868 1.00 0.00 H new ATOM 0 HA SER A 16 7.688 4.841 -0.950 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.905 6.021 -2.454 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.741 7.190 -1.158 1.00 0.00 H new ATOM 0 HG SER A 16 8.197 7.336 -1.368 1.00 0.00 H new ATOM 247 N ASP A 17 6.467 5.934 1.784 1.00 0.00 N ATOM 248 CA ASP A 17 6.814 6.255 3.176 1.00 0.00 C ATOM 249 C ASP A 17 7.666 5.169 3.875 1.00 0.00 C ATOM 250 O ASP A 17 8.118 5.370 5.006 1.00 0.00 O ATOM 251 CB ASP A 17 5.517 6.514 3.964 1.00 0.00 C ATOM 252 CG ASP A 17 4.663 5.255 4.230 1.00 0.00 C ATOM 253 OD1 ASP A 17 4.755 4.273 3.456 1.00 0.00 O ATOM 254 OD2 ASP A 17 3.880 5.264 5.210 1.00 0.00 O ATOM 0 H ASP A 17 5.509 5.596 1.692 1.00 0.00 H new ATOM 0 HA ASP A 17 7.440 7.147 3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.773 6.971 4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.913 7.237 3.416 1.00 0.00 H new ATOM 259 N GLY A 18 7.895 4.025 3.220 1.00 0.00 N ATOM 260 CA GLY A 18 8.662 2.885 3.730 1.00 0.00 C ATOM 261 C GLY A 18 7.842 1.846 4.512 1.00 0.00 C ATOM 262 O GLY A 18 8.434 0.906 5.051 1.00 0.00 O ATOM 0 H GLY A 18 7.535 3.863 2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.145 2.386 2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.455 3.260 4.376 1.00 0.00 H new ATOM 266 N ARG A 19 6.510 1.993 4.597 1.00 0.00 N ATOM 267 CA ARG A 19 5.605 1.075 5.318 1.00 0.00 C ATOM 268 C ARG A 19 4.878 0.120 4.356 1.00 0.00 C ATOM 269 O ARG A 19 4.890 0.302 3.137 1.00 0.00 O ATOM 270 CB ARG A 19 4.658 1.919 6.202 1.00 0.00 C ATOM 271 CG ARG A 19 3.966 1.123 7.325 1.00 0.00 C ATOM 272 CD ARG A 19 3.554 2.000 8.518 1.00 0.00 C ATOM 273 NE ARG A 19 2.514 2.987 8.174 1.00 0.00 N ATOM 274 CZ ARG A 19 1.854 3.779 8.999 1.00 0.00 C ATOM 275 NH1 ARG A 19 2.089 3.800 10.282 1.00 0.00 N ATOM 276 NH2 ARG A 19 0.930 4.569 8.538 1.00 0.00 N ATOM 0 H ARG A 19 6.018 2.771 4.157 1.00 0.00 H new ATOM 0 HA ARG A 19 6.175 0.415 5.972 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.227 2.735 6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.895 2.371 5.569 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.082 0.630 6.921 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.637 0.338 7.673 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.190 1.362 9.323 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.432 2.523 8.898 1.00 0.00 H new ATOM 0 HE ARG A 19 2.277 3.067 7.185 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.804 3.190 10.680 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.558 4.426 10.888 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.716 4.576 7.541 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.419 5.182 9.174 1.00 0.00 H new ATOM 290 N THR A 20 4.232 -0.903 4.910 1.00 0.00 N ATOM 291 CA THR A 20 3.492 -1.950 4.182 1.00 0.00 C ATOM 292 C THR A 20 2.036 -1.970 4.630 1.00 0.00 C ATOM 293 O THR A 20 1.745 -1.932 5.828 1.00 0.00 O ATOM 294 CB THR A 20 4.149 -3.324 4.409 1.00 0.00 C ATOM 295 OG1 THR A 20 5.400 -3.349 3.759 1.00 0.00 O ATOM 296 CG2 THR A 20 3.348 -4.516 3.877 1.00 0.00 C ATOM 0 H THR A 20 4.204 -1.038 5.921 1.00 0.00 H new ATOM 0 HA THR A 20 3.523 -1.727 3.115 1.00 0.00 H new ATOM 0 HB THR A 20 4.220 -3.433 5.491 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.825 -4.221 3.901 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.890 -5.439 4.083 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.375 -4.549 4.368 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.208 -4.409 2.801 1.00 0.00 H new ATOM 304 N TYR A 21 1.124 -2.066 3.661 1.00 0.00 N ATOM 305 CA TYR A 21 -0.319 -2.147 3.864 1.00 0.00 C ATOM 306 C TYR A 21 -0.901 -3.379 3.161 1.00 0.00 C ATOM 307 O TYR A 21 -0.325 -3.882 2.193 1.00 0.00 O ATOM 308 CB TYR A 21 -0.947 -0.852 3.335 1.00 0.00 C ATOM 309 CG TYR A 21 -0.392 0.411 3.970 1.00 0.00 C ATOM 310 CD1 TYR A 21 -0.820 0.801 5.256 1.00 0.00 C ATOM 311 CD2 TYR A 21 0.577 1.180 3.292 1.00 0.00 C ATOM 312 CE1 TYR A 21 -0.307 1.975 5.845 1.00 0.00 C ATOM 313 CE2 TYR A 21 1.092 2.351 3.880 1.00 0.00 C ATOM 314 CZ TYR A 21 0.644 2.759 5.151 1.00 0.00 C ATOM 315 OH TYR A 21 1.156 3.889 5.719 1.00 0.00 O ATOM 0 H TYR A 21 1.383 -2.090 2.675 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.544 -2.256 4.925 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.795 -0.801 2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.023 -0.888 3.503 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.541 0.200 5.790 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.925 0.869 2.318 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.641 2.276 6.827 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.832 2.937 3.355 1.00 0.00 H new ATOM 0 HH TYR A 21 2.039 4.076 5.337 1.00 0.00 H new ATOM 325 N ALA A 22 -2.064 -3.842 3.629 1.00 0.00 N ATOM 326 CA ALA A 22 -2.731 -5.067 3.172 1.00 0.00 C ATOM 327 C ALA A 22 -3.020 -5.099 1.661 1.00 0.00 C ATOM 328 O ALA A 22 -3.001 -6.174 1.055 1.00 0.00 O ATOM 329 CB ALA A 22 -4.042 -5.207 3.956 1.00 0.00 C ATOM 0 H ALA A 22 -2.585 -3.359 4.361 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.053 -5.900 3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.562 -6.111 3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.823 -5.271 5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.674 -4.339 3.766 1.00 0.00 H new ATOM 335 N ASN A 23 -3.261 -3.931 1.050 1.00 0.00 N ATOM 336 CA ASN A 23 -3.450 -3.793 -0.381 1.00 0.00 C ATOM 337 C ASN A 23 -3.137 -2.370 -0.857 1.00 0.00 C ATOM 338 O ASN A 23 -3.019 -1.437 -0.060 1.00 0.00 O ATOM 339 CB ASN A 23 -4.855 -4.248 -0.844 1.00 0.00 C ATOM 340 CG ASN A 23 -6.025 -4.269 0.146 1.00 0.00 C ATOM 341 OD1 ASN A 23 -5.995 -4.827 1.232 1.00 0.00 O ATOM 342 ND2 ASN A 23 -7.155 -3.730 -0.256 1.00 0.00 N ATOM 0 H ASN A 23 -3.329 -3.047 1.554 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.734 -4.466 -0.852 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.146 -3.604 -1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.752 -5.257 -1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.984 -3.783 0.336 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.202 -3.259 -1.160 1.00 0.00 H new ATOM 349 N SER A 24 -3.066 -2.200 -2.179 1.00 0.00 N ATOM 350 CA SER A 24 -2.818 -0.901 -2.803 1.00 0.00 C ATOM 351 C SER A 24 -3.892 0.145 -2.474 1.00 0.00 C ATOM 352 O SER A 24 -3.565 1.263 -2.077 1.00 0.00 O ATOM 353 CB SER A 24 -2.658 -1.067 -4.319 1.00 0.00 C ATOM 354 OG SER A 24 -2.332 0.170 -4.925 1.00 0.00 O ATOM 0 H SER A 24 -3.179 -2.962 -2.848 1.00 0.00 H new ATOM 0 HA SER A 24 -1.889 -0.518 -2.381 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.877 -1.798 -4.530 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.582 -1.455 -4.747 1.00 0.00 H new ATOM 0 HG SER A 24 -2.232 0.044 -5.892 1.00 0.00 H new ATOM 360 N CYS A 25 -5.172 -0.248 -2.544 1.00 0.00 N ATOM 361 CA CYS A 25 -6.351 0.566 -2.197 1.00 0.00 C ATOM 362 C CYS A 25 -6.238 1.230 -0.820 1.00 0.00 C ATOM 363 O CYS A 25 -6.538 2.404 -0.620 1.00 0.00 O ATOM 364 CB CYS A 25 -7.575 -0.351 -2.199 1.00 0.00 C ATOM 365 SG CYS A 25 -9.162 0.518 -2.343 1.00 0.00 S ATOM 0 H CYS A 25 -5.428 -1.184 -2.858 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.432 1.366 -2.933 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.484 -1.056 -3.025 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.577 -0.936 -1.279 1.00 0.00 H new ATOM 370 N ILE A 26 -5.778 0.431 0.133 1.00 0.00 N ATOM 371 CA ILE A 26 -5.511 0.846 1.511 1.00 0.00 C ATOM 372 C ILE A 26 -4.392 1.887 1.559 1.00 0.00 C ATOM 373 O ILE A 26 -4.639 2.999 2.023 1.00 0.00 O ATOM 374 CB ILE A 26 -5.224 -0.383 2.401 1.00 0.00 C ATOM 375 CG1 ILE A 26 -6.411 -1.362 2.486 1.00 0.00 C ATOM 376 CG2 ILE A 26 -4.773 -0.017 3.815 1.00 0.00 C ATOM 377 CD1 ILE A 26 -7.734 -0.784 3.012 1.00 0.00 C ATOM 0 H ILE A 26 -5.573 -0.554 -0.032 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.401 1.328 1.915 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.397 -0.883 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.588 -1.772 1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.122 -2.195 3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.589 -0.927 4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.856 0.571 3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.552 0.567 4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.493 -1.566 3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.588 -0.402 4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.061 0.027 2.361 1.00 0.00 H new ATOM 389 N ALA A 27 -3.203 1.572 1.031 1.00 0.00 N ATOM 390 CA ALA A 27 -2.073 2.506 0.971 1.00 0.00 C ATOM 391 C ALA A 27 -2.478 3.899 0.433 1.00 0.00 C ATOM 392 O ALA A 27 -2.269 4.913 1.107 1.00 0.00 O ATOM 393 CB ALA A 27 -0.946 1.875 0.145 1.00 0.00 C ATOM 0 H ALA A 27 -2.997 0.657 0.631 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.717 2.683 1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.102 2.563 0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.628 0.944 0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.305 1.669 -0.863 1.00 0.00 H new ATOM 399 N ARG A 28 -3.130 3.951 -0.741 1.00 0.00 N ATOM 400 CA ARG A 28 -3.628 5.204 -1.342 1.00 0.00 C ATOM 401 C ARG A 28 -4.671 5.925 -0.478 1.00 0.00 C ATOM 402 O ARG A 28 -4.627 7.150 -0.380 1.00 0.00 O ATOM 403 CB ARG A 28 -4.129 4.974 -2.779 1.00 0.00 C ATOM 404 CG ARG A 28 -5.363 4.060 -2.893 1.00 0.00 C ATOM 405 CD ARG A 28 -5.858 3.922 -4.339 1.00 0.00 C ATOM 406 NE ARG A 28 -6.475 5.171 -4.833 1.00 0.00 N ATOM 407 CZ ARG A 28 -7.149 5.340 -5.958 1.00 0.00 C ATOM 408 NH1 ARG A 28 -7.328 4.374 -6.814 1.00 0.00 N ATOM 409 NH2 ARG A 28 -7.667 6.500 -6.246 1.00 0.00 N ATOM 0 H ARG A 28 -3.328 3.123 -1.303 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.774 5.880 -1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.367 5.940 -3.225 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.319 4.542 -3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.118 3.073 -2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.166 4.460 -2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.023 3.650 -4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.584 3.111 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.369 5.994 -4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.942 3.449 -6.627 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.854 4.543 -7.671 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.554 7.283 -5.602 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.186 6.625 -7.115 1.00 0.00 H new ATOM 423 N CYS A 29 -5.567 5.190 0.185 1.00 0.00 N ATOM 424 CA CYS A 29 -6.574 5.742 1.099 1.00 0.00 C ATOM 425 C CYS A 29 -5.934 6.436 2.318 1.00 0.00 C ATOM 426 O CYS A 29 -6.381 7.502 2.741 1.00 0.00 O ATOM 427 CB CYS A 29 -7.516 4.620 1.547 1.00 0.00 C ATOM 428 SG CYS A 29 -8.985 5.172 2.455 1.00 0.00 S ATOM 0 H CYS A 29 -5.615 4.175 0.101 1.00 0.00 H new ATOM 0 HA CYS A 29 -7.138 6.506 0.565 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.839 4.064 0.667 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.958 3.926 2.176 1.00 0.00 H new ATOM 0 HG CYS A 29 -9.707 4.141 2.780 1.00 0.00 H new ATOM 433 N ASN A 30 -4.853 5.857 2.851 1.00 0.00 N ATOM 434 CA ASN A 30 -4.029 6.429 3.914 1.00 0.00 C ATOM 435 C ASN A 30 -3.245 7.694 3.475 1.00 0.00 C ATOM 436 O ASN A 30 -2.725 8.418 4.326 1.00 0.00 O ATOM 437 CB ASN A 30 -3.057 5.345 4.413 1.00 0.00 C ATOM 438 CG ASN A 30 -3.643 3.973 4.737 1.00 0.00 C ATOM 439 OD1 ASN A 30 -3.003 2.957 4.541 1.00 0.00 O ATOM 440 ND2 ASN A 30 -4.842 3.864 5.265 1.00 0.00 N ATOM 0 H ASN A 30 -4.518 4.945 2.541 1.00 0.00 H new ATOM 0 HA ASN A 30 -4.696 6.755 4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.284 5.211 3.656 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.564 5.721 5.309 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.214 2.944 5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.400 4.700 5.440 1.00 0.00 H new ATOM 447 N GLY A 31 -3.171 7.975 2.168 1.00 0.00 N ATOM 448 CA GLY A 31 -2.606 9.193 1.571 1.00 0.00 C ATOM 449 C GLY A 31 -1.227 9.030 0.914 1.00 0.00 C ATOM 450 O GLY A 31 -0.693 10.009 0.388 1.00 0.00 O ATOM 0 H GLY A 31 -3.521 7.327 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.304 9.567 0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.532 9.956 2.346 1.00 0.00 H new ATOM 454 N VAL A 32 -0.640 7.826 0.928 1.00 0.00 N ATOM 455 CA VAL A 32 0.699 7.510 0.426 1.00 0.00 C ATOM 456 C VAL A 32 0.636 6.598 -0.804 1.00 0.00 C ATOM 457 O VAL A 32 -0.102 5.614 -0.833 1.00 0.00 O ATOM 458 CB VAL A 32 1.539 6.872 1.547 1.00 0.00 C ATOM 459 CG1 VAL A 32 1.967 7.934 2.567 1.00 0.00 C ATOM 460 CG2 VAL A 32 0.863 5.723 2.308 1.00 0.00 C ATOM 0 H VAL A 32 -1.112 7.006 1.310 1.00 0.00 H new ATOM 0 HA VAL A 32 1.178 8.438 0.112 1.00 0.00 H new ATOM 0 HB VAL A 32 2.392 6.439 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.560 7.466 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.564 8.698 2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.082 8.394 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.540 5.346 3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.051 6.086 2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.619 4.920 1.613 1.00 0.00 H new ATOM 470 N SER A 33 1.404 6.916 -1.847 1.00 0.00 N ATOM 471 CA SER A 33 1.520 6.092 -3.048 1.00 0.00 C ATOM 472 C SER A 33 2.374 4.855 -2.801 1.00 0.00 C ATOM 473 O SER A 33 3.293 4.858 -1.975 1.00 0.00 O ATOM 474 CB SER A 33 2.124 6.909 -4.196 1.00 0.00 C ATOM 475 OG SER A 33 3.036 7.911 -3.757 1.00 0.00 O ATOM 0 H SER A 33 1.970 7.764 -1.881 1.00 0.00 H new ATOM 0 HA SER A 33 0.516 5.765 -3.318 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.638 6.235 -4.881 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.319 7.382 -4.759 1.00 0.00 H new ATOM 0 HG SER A 33 3.388 8.396 -4.533 1.00 0.00 H new ATOM 481 N ILE A 34 2.108 3.795 -3.562 1.00 0.00 N ATOM 482 CA ILE A 34 2.913 2.591 -3.588 1.00 0.00 C ATOM 483 C ILE A 34 4.223 2.872 -4.339 1.00 0.00 C ATOM 484 O ILE A 34 4.211 3.405 -5.452 1.00 0.00 O ATOM 485 CB ILE A 34 2.083 1.412 -4.137 1.00 0.00 C ATOM 486 CG1 ILE A 34 1.935 1.302 -5.672 1.00 0.00 C ATOM 487 CG2 ILE A 34 0.709 1.358 -3.435 1.00 0.00 C ATOM 488 CD1 ILE A 34 1.377 -0.055 -6.120 1.00 0.00 C ATOM 0 H ILE A 34 1.305 3.756 -4.190 1.00 0.00 H new ATOM 0 HA ILE A 34 3.206 2.287 -2.583 1.00 0.00 H new ATOM 0 HB ILE A 34 2.681 0.534 -3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.277 2.095 -6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.907 1.462 -6.138 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.131 0.522 -3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.853 1.225 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.171 2.289 -3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.295 -0.074 -7.207 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.047 -0.850 -5.793 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.392 -0.207 -5.679 1.00 0.00 H new ATOM 500 N LYS A 35 5.365 2.558 -3.720 1.00 0.00 N ATOM 501 CA LYS A 35 6.675 2.596 -4.389 1.00 0.00 C ATOM 502 C LYS A 35 6.887 1.357 -5.268 1.00 0.00 C ATOM 503 O LYS A 35 7.446 1.459 -6.362 1.00 0.00 O ATOM 504 CB LYS A 35 7.796 2.735 -3.347 1.00 0.00 C ATOM 505 CG LYS A 35 9.019 3.466 -3.933 1.00 0.00 C ATOM 506 CD LYS A 35 10.333 2.731 -3.653 1.00 0.00 C ATOM 507 CE LYS A 35 11.495 3.522 -4.270 1.00 0.00 C ATOM 508 NZ LYS A 35 12.782 2.785 -4.169 1.00 0.00 N ATOM 0 H LYS A 35 5.411 2.270 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 35 6.702 3.466 -5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.424 3.282 -2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.094 1.747 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.891 3.576 -5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.072 4.471 -3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.481 2.623 -2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.298 1.726 -4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.277 3.730 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.587 4.484 -3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.541 3.352 -4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.003 2.608 -3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.703 1.878 -4.671 1.00 0.00 H new ATOM 522 N SER A 36 6.407 0.201 -4.804 1.00 0.00 N ATOM 523 CA SER A 36 6.332 -1.058 -5.558 1.00 0.00 C ATOM 524 C SER A 36 5.203 -1.976 -5.078 1.00 0.00 C ATOM 525 O SER A 36 4.659 -1.833 -3.978 1.00 0.00 O ATOM 526 CB SER A 36 7.672 -1.811 -5.502 1.00 0.00 C ATOM 527 OG SER A 36 8.144 -1.974 -4.173 1.00 0.00 O ATOM 0 H SER A 36 6.045 0.110 -3.855 1.00 0.00 H new ATOM 0 HA SER A 36 6.111 -0.781 -6.589 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.555 -2.790 -5.966 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.416 -1.268 -6.085 1.00 0.00 H new ATOM 0 HG SER A 36 8.996 -2.458 -4.185 1.00 0.00 H new ATOM 533 N GLU A 37 4.853 -2.936 -5.931 1.00 0.00 N ATOM 534 CA GLU A 37 3.964 -4.059 -5.641 1.00 0.00 C ATOM 535 C GLU A 37 4.666 -5.114 -4.778 1.00 0.00 C ATOM 536 O GLU A 37 5.886 -5.302 -4.834 1.00 0.00 O ATOM 537 CB GLU A 37 3.568 -4.653 -6.993 1.00 0.00 C ATOM 538 CG GLU A 37 2.739 -5.931 -7.036 1.00 0.00 C ATOM 539 CD GLU A 37 1.308 -5.706 -6.529 1.00 0.00 C ATOM 540 OE1 GLU A 37 1.140 -5.521 -5.306 1.00 0.00 O ATOM 541 OE2 GLU A 37 0.362 -5.715 -7.356 1.00 0.00 O ATOM 0 H GLU A 37 5.199 -2.953 -6.891 1.00 0.00 H new ATOM 0 HA GLU A 37 3.091 -3.726 -5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.016 -3.887 -7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.486 -4.840 -7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.706 -6.308 -8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.222 -6.697 -6.429 1.00 0.00 H new ATOM 548 N GLY A 38 3.856 -5.839 -4.016 1.00 0.00 N ATOM 549 CA GLY A 38 4.287 -6.832 -3.035 1.00 0.00 C ATOM 550 C GLY A 38 4.766 -6.180 -1.732 1.00 0.00 C ATOM 551 O GLY A 38 5.276 -5.058 -1.721 1.00 0.00 O ATOM 0 H GLY A 38 2.841 -5.749 -4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.462 -7.511 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.092 -7.433 -3.457 1.00 0.00 H new ATOM 555 N SER A 39 4.646 -6.908 -0.621 1.00 0.00 N ATOM 556 CA SER A 39 5.296 -6.531 0.646 1.00 0.00 C ATOM 557 C SER A 39 6.816 -6.425 0.470 1.00 0.00 C ATOM 558 O SER A 39 7.418 -7.173 -0.309 1.00 0.00 O ATOM 559 CB SER A 39 4.973 -7.549 1.740 1.00 0.00 C ATOM 560 OG SER A 39 5.532 -7.187 2.991 1.00 0.00 O ATOM 0 H SER A 39 4.102 -7.769 -0.568 1.00 0.00 H new ATOM 0 HA SER A 39 4.909 -5.556 0.942 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.892 -7.641 1.840 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.350 -8.528 1.445 1.00 0.00 H new ATOM 0 HG SER A 39 5.300 -7.863 3.661 1.00 0.00 H new ATOM 566 N CYS A 40 7.439 -5.515 1.216 1.00 0.00 N ATOM 567 CA CYS A 40 8.876 -5.250 1.148 1.00 0.00 C ATOM 568 C CYS A 40 9.688 -5.873 2.299 1.00 0.00 C ATOM 569 O CYS A 40 9.151 -6.136 3.382 1.00 0.00 O ATOM 570 CB CYS A 40 9.152 -3.750 1.016 1.00 0.00 C ATOM 571 SG CYS A 40 8.175 -2.577 1.980 1.00 0.00 S ATOM 0 H CYS A 40 6.952 -4.931 1.896 1.00 0.00 H new ATOM 0 HA CYS A 40 9.226 -5.752 0.246 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.200 -3.587 1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.033 -3.487 -0.035 1.00 0.00 H new ATOM 576 N PRO A 41 11.000 -6.081 2.081 1.00 0.00 N ATOM 577 CA PRO A 41 11.933 -6.525 3.115 1.00 0.00 C ATOM 578 C PRO A 41 12.260 -5.397 4.113 1.00 0.00 C ATOM 579 O PRO A 41 12.125 -4.209 3.811 1.00 0.00 O ATOM 580 CB PRO A 41 13.176 -6.975 2.335 1.00 0.00 C ATOM 581 CG PRO A 41 13.177 -6.064 1.105 1.00 0.00 C ATOM 582 CD PRO A 41 11.687 -5.895 0.805 1.00 0.00 C ATOM 0 HA PRO A 41 11.519 -7.326 3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.085 -6.854 2.924 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.115 -8.027 2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.659 -5.108 1.310 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.709 -6.516 0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.481 -4.908 0.390 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.351 -6.626 0.070 1.00 0.00 H new ATOM 590 N THR A 42 12.775 -5.764 5.290 1.00 0.00 N ATOM 591 CA THR A 42 13.289 -4.849 6.338 1.00 0.00 C ATOM 592 C THR A 42 14.636 -4.181 6.006 1.00 0.00 C ATOM 593 O THR A 42 15.150 -3.393 6.802 1.00 0.00 O ATOM 594 CB THR A 42 13.386 -5.567 7.708 1.00 0.00 C ATOM 595 OG1 THR A 42 13.430 -6.982 7.584 1.00 0.00 O ATOM 596 CG2 THR A 42 12.175 -5.232 8.581 1.00 0.00 C ATOM 0 H THR A 42 12.853 -6.745 5.559 1.00 0.00 H new ATOM 0 HA THR A 42 12.554 -4.045 6.386 1.00 0.00 H new ATOM 0 HB THR A 42 14.313 -5.214 8.159 1.00 0.00 H new ATOM 0 HG1 THR A 42 13.493 -7.387 8.474 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.263 -5.746 9.538 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.135 -4.156 8.750 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.263 -5.555 8.078 1.00 0.00 H new ATOM 604 N GLY A 43 15.217 -4.475 4.837 1.00 0.00 N ATOM 605 CA GLY A 43 16.512 -3.958 4.364 1.00 0.00 C ATOM 606 C GLY A 43 17.705 -4.898 4.602 1.00 0.00 C ATOM 607 O GLY A 43 18.835 -4.553 4.243 1.00 0.00 O ATOM 0 H GLY A 43 14.781 -5.106 4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.437 -3.751 3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.711 -3.008 4.859 1.00 0.00 H new ATOM 611 N ILE A 44 17.462 -6.079 5.190 1.00 0.00 N ATOM 612 CA ILE A 44 18.433 -7.160 5.461 1.00 0.00 C ATOM 613 C ILE A 44 18.262 -8.299 4.445 1.00 0.00 C ATOM 614 O ILE A 44 17.148 -8.867 4.352 1.00 0.00 O ATOM 615 CB ILE A 44 18.298 -7.650 6.924 1.00 0.00 C ATOM 616 CG1 ILE A 44 18.383 -6.516 7.978 1.00 0.00 C ATOM 617 CG2 ILE A 44 19.352 -8.729 7.225 1.00 0.00 C ATOM 618 CD1 ILE A 44 19.673 -5.682 7.958 1.00 0.00 C ATOM 619 OXT ILE A 44 19.236 -8.600 3.717 1.00 0.00 O ATOM 0 H ILE A 44 16.525 -6.324 5.510 1.00 0.00 H new ATOM 0 HA ILE A 44 19.445 -6.773 5.343 1.00 0.00 H new ATOM 0 HB ILE A 44 17.295 -8.070 7.008 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.536 -5.845 7.832 1.00 0.00 H new ATOM 0 HG13 ILE A 44 18.273 -6.957 8.969 1.00 0.00 H new ATOM 0 HG21 ILE A 44 19.245 -9.064 8.257 1.00 0.00 H new ATOM 0 HG22 ILE A 44 19.209 -9.575 6.552 1.00 0.00 H new ATOM 0 HG23 ILE A 44 20.349 -8.314 7.080 1.00 0.00 H new ATOM 0 HD11 ILE A 44 19.625 -4.919 8.735 1.00 0.00 H new ATOM 0 HD12 ILE A 44 20.529 -6.332 8.140 1.00 0.00 H new ATOM 0 HD13 ILE A 44 19.781 -5.203 6.985 1.00 0.00 H new TER 631 ILE A 44