USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 289 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 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= 0.904 (180deg=0.867) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -5:sc= 0.701 USER MOD Single : A 17 ASN : amide:sc= -13.1! C(o=-13!,f=-29!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= -12.8! (180deg=-13.4!) USER MOD Single : A 25 ASN : amide:sc= -1.5 K(o=-1.5,f=-2) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 176:sc= 0.121 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -9.797 -10.433 -3.437 1.00 0.00 N ATOM 2 CA GLU A 1 -8.504 -9.768 -3.744 1.00 0.00 C ATOM 3 C GLU A 1 -8.606 -8.256 -3.571 1.00 0.00 C ATOM 4 O GLU A 1 -9.670 -7.728 -3.250 1.00 0.00 O ATOM 5 CB GLU A 1 -8.110 -10.108 -5.184 1.00 0.00 C ATOM 6 CG GLU A 1 -6.715 -10.699 -5.309 1.00 0.00 C ATOM 7 CD GLU A 1 -6.542 -11.524 -6.569 1.00 0.00 C ATOM 8 OE1 GLU A 1 -6.266 -10.931 -7.634 1.00 0.00 O ATOM 9 OE2 GLU A 1 -6.680 -12.762 -6.492 1.00 0.00 O ATOM 0 H1 GLU A 1 -9.697 -11.461 -3.563 1.00 0.00 H new ATOM 0 H2 GLU A 1 -10.067 -10.230 -2.454 1.00 0.00 H new ATOM 0 H3 GLU A 1 -10.533 -10.075 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 1 -7.744 -10.128 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -8.833 -10.814 -5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -8.169 -9.205 -5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -5.981 -9.893 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -6.510 -11.323 -4.439 1.00 0.00 H new ATOM 18 N LEU A 2 -7.491 -7.565 -3.785 1.00 0.00 N ATOM 19 CA LEU A 2 -7.458 -6.113 -3.655 1.00 0.00 C ATOM 20 C LEU A 2 -6.079 -5.562 -4.005 1.00 0.00 C ATOM 21 O LEU A 2 -5.120 -5.732 -3.252 1.00 0.00 O ATOM 22 CB LEU A 2 -7.836 -5.697 -2.232 1.00 0.00 C ATOM 23 CG LEU A 2 -8.813 -4.524 -2.140 1.00 0.00 C ATOM 24 CD1 LEU A 2 -10.159 -4.904 -2.737 1.00 0.00 C ATOM 25 CD2 LEU A 2 -8.973 -4.078 -0.695 1.00 0.00 C ATOM 0 H LEU A 2 -6.600 -7.986 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.184 -5.698 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.273 -6.556 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.926 -5.436 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.408 -3.690 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.842 -4.058 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.029 -5.175 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -10.572 -5.752 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.671 -3.243 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.356 -4.906 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.006 -3.765 -0.302 1.00 0.00 H new ATOM 37 N PRO A 3 -5.967 -4.890 -5.160 1.00 0.00 N ATOM 38 CA PRO A 3 -4.702 -4.307 -5.616 1.00 0.00 C ATOM 39 C PRO A 3 -4.220 -3.184 -4.702 1.00 0.00 C ATOM 40 O PRO A 3 -4.573 -2.021 -4.895 1.00 0.00 O ATOM 41 CB PRO A 3 -5.035 -3.760 -7.008 1.00 0.00 C ATOM 42 CG PRO A 3 -6.515 -3.582 -7.013 1.00 0.00 C ATOM 43 CD PRO A 3 -7.067 -4.647 -6.108 1.00 0.00 C ATOM 0 HA PRO A 3 -3.895 -5.040 -5.618 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -4.524 -2.815 -7.193 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -4.719 -4.451 -7.789 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.789 -2.589 -6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.916 -3.682 -8.022 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.971 -4.313 -5.598 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.328 -5.549 -6.661 1.00 0.00 H new ATOM 51 N LYS A 4 -3.415 -3.543 -3.704 1.00 0.00 N ATOM 52 CA LYS A 4 -2.884 -2.571 -2.755 1.00 0.00 C ATOM 53 C LYS A 4 -2.107 -1.464 -3.464 1.00 0.00 C ATOM 54 O LYS A 4 -0.878 -1.452 -3.448 1.00 0.00 O ATOM 55 CB LYS A 4 -1.976 -3.271 -1.741 1.00 0.00 C ATOM 56 CG LYS A 4 -2.729 -3.915 -0.588 1.00 0.00 C ATOM 57 CD LYS A 4 -2.990 -5.390 -0.843 1.00 0.00 C ATOM 58 CE LYS A 4 -1.693 -6.174 -0.974 1.00 0.00 C ATOM 59 NZ LYS A 4 -1.354 -6.901 0.280 1.00 0.00 N ATOM 0 H LYS A 4 -3.116 -4.503 -3.533 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.728 -2.115 -2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.394 -4.036 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.267 -2.546 -1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.155 -3.800 0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.677 -3.398 -0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.584 -5.801 -0.027 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.578 -5.504 -1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.781 -6.887 -1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.881 -5.493 -1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.464 -7.423 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.245 -6.219 1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.116 -7.570 0.510 1.00 0.00 H new ATOM 73 N LEU A 5 -2.829 -0.544 -4.096 1.00 0.00 N ATOM 74 CA LEU A 5 -2.198 0.558 -4.812 1.00 0.00 C ATOM 75 C LEU A 5 -2.926 1.903 -4.644 1.00 0.00 C ATOM 76 O LEU A 5 -2.678 2.823 -5.424 1.00 0.00 O ATOM 77 CB LEU A 5 -2.119 0.224 -6.297 1.00 0.00 C ATOM 78 CG LEU A 5 -1.453 -1.108 -6.619 1.00 0.00 C ATOM 79 CD1 LEU A 5 -1.738 -1.507 -8.057 1.00 0.00 C ATOM 80 CD2 LEU A 5 0.042 -1.018 -6.363 1.00 0.00 C ATOM 0 H LEU A 5 -3.849 -0.540 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.205 0.675 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.129 0.218 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.573 1.019 -6.805 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.866 -1.879 -5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.256 -2.460 -8.272 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.814 -1.604 -8.201 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.349 -0.743 -8.730 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.509 -1.975 -6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.473 -0.241 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.218 -0.774 -5.315 1.00 0.00 H new ATOM 92 N PRO A 6 -3.829 2.075 -3.650 1.00 0.00 N ATOM 93 CA PRO A 6 -4.530 3.348 -3.472 1.00 0.00 C ATOM 94 C PRO A 6 -3.688 4.369 -2.713 1.00 0.00 C ATOM 95 O PRO A 6 -2.501 4.149 -2.473 1.00 0.00 O ATOM 96 CB PRO A 6 -5.746 2.937 -2.658 1.00 0.00 C ATOM 97 CG PRO A 6 -5.246 1.836 -1.795 1.00 0.00 C ATOM 98 CD PRO A 6 -4.246 1.086 -2.631 1.00 0.00 C ATOM 0 HA PRO A 6 -4.769 3.836 -4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.128 3.767 -2.064 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.561 2.602 -3.300 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.784 2.228 -0.889 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.061 1.184 -1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -3.400 0.745 -2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.690 0.202 -3.089 1.00 0.00 H new ATOM 106 N ASP A 7 -4.302 5.489 -2.336 1.00 0.00 N ATOM 107 CA ASP A 7 -3.586 6.529 -1.606 1.00 0.00 C ATOM 108 C ASP A 7 -4.521 7.639 -1.135 1.00 0.00 C ATOM 109 O ASP A 7 -4.380 8.146 -0.022 1.00 0.00 O ATOM 110 CB ASP A 7 -2.479 7.120 -2.480 1.00 0.00 C ATOM 111 CG ASP A 7 -2.868 7.181 -3.945 1.00 0.00 C ATOM 112 OD1 ASP A 7 -4.083 7.180 -4.236 1.00 0.00 O ATOM 113 OD2 ASP A 7 -1.959 7.232 -4.799 1.00 0.00 O ATOM 0 H ASP A 7 -5.283 5.697 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.147 6.065 -0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.239 8.124 -2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.575 6.520 -2.372 1.00 0.00 H new ATOM 118 N ASP A 8 -5.468 8.021 -1.983 1.00 0.00 N ATOM 119 CA ASP A 8 -6.412 9.080 -1.637 1.00 0.00 C ATOM 120 C ASP A 8 -7.847 8.667 -1.942 1.00 0.00 C ATOM 121 O ASP A 8 -8.599 9.414 -2.568 1.00 0.00 O ATOM 122 CB ASP A 8 -6.067 10.364 -2.394 1.00 0.00 C ATOM 123 CG ASP A 8 -5.312 10.093 -3.681 1.00 0.00 C ATOM 124 OD1 ASP A 8 -5.968 9.886 -4.723 1.00 0.00 O ATOM 125 OD2 ASP A 8 -4.062 10.088 -3.646 1.00 0.00 O ATOM 0 H ASP A 8 -5.604 7.617 -2.910 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.332 9.261 -0.565 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.985 10.906 -2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.467 11.010 -1.753 1.00 0.00 H new ATOM 130 N LYS A 9 -8.222 7.476 -1.489 1.00 0.00 N ATOM 131 CA LYS A 9 -9.570 6.963 -1.707 1.00 0.00 C ATOM 132 C LYS A 9 -10.079 6.247 -0.461 1.00 0.00 C ATOM 133 O LYS A 9 -11.071 6.656 0.142 1.00 0.00 O ATOM 134 CB LYS A 9 -9.587 6.010 -2.904 1.00 0.00 C ATOM 135 CG LYS A 9 -8.790 6.515 -4.096 1.00 0.00 C ATOM 136 CD LYS A 9 -9.535 7.609 -4.846 1.00 0.00 C ATOM 137 CE LYS A 9 -8.960 7.821 -6.239 1.00 0.00 C ATOM 138 NZ LYS A 9 -8.133 9.057 -6.319 1.00 0.00 N ATOM 0 H LYS A 9 -7.611 6.847 -0.968 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.229 7.806 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.188 5.044 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.620 5.845 -3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.828 6.897 -3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.582 5.686 -4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.590 7.345 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.479 8.540 -4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.352 6.960 -6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.774 7.882 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.652 9.094 -7.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.745 9.891 -6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.424 9.050 -5.558 1.00 0.00 H new ATOM 152 N VAL A 10 -9.386 5.183 -0.080 1.00 0.00 N ATOM 153 CA VAL A 10 -9.754 4.407 1.096 1.00 0.00 C ATOM 154 C VAL A 10 -8.546 4.199 2.008 1.00 0.00 C ATOM 155 O VAL A 10 -8.662 4.240 3.232 1.00 0.00 O ATOM 156 CB VAL A 10 -10.336 3.037 0.702 1.00 0.00 C ATOM 157 CG1 VAL A 10 -10.510 2.159 1.929 1.00 0.00 C ATOM 158 CG2 VAL A 10 -11.658 3.210 -0.029 1.00 0.00 C ATOM 0 H VAL A 10 -8.562 4.836 -0.571 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.517 4.972 1.631 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.635 2.545 0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.922 1.195 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.543 2.008 2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -11.190 2.644 2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.055 2.232 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.368 3.723 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.500 3.800 -0.932 1.00 0.00 H new ATOM 168 N LEU A 11 -7.388 3.984 1.393 1.00 0.00 N ATOM 169 CA LEU A 11 -6.142 3.779 2.127 1.00 0.00 C ATOM 170 C LEU A 11 -6.372 3.088 3.470 1.00 0.00 C ATOM 171 O LEU A 11 -5.897 3.558 4.504 1.00 0.00 O ATOM 172 CB LEU A 11 -5.432 5.115 2.347 1.00 0.00 C ATOM 173 CG LEU A 11 -6.268 6.182 3.051 1.00 0.00 C ATOM 174 CD1 LEU A 11 -5.530 6.711 4.272 1.00 0.00 C ATOM 175 CD2 LEU A 11 -6.602 7.314 2.092 1.00 0.00 C ATOM 0 H LEU A 11 -7.285 3.947 0.379 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.515 3.125 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.529 4.938 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.114 5.504 1.380 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.202 5.730 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.138 7.471 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.341 5.892 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.582 7.150 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.198 8.066 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.680 7.768 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.168 6.921 1.248 1.00 0.00 H new ATOM 187 N ILE A 12 -7.089 1.966 3.452 1.00 0.00 N ATOM 188 CA ILE A 12 -7.352 1.221 4.682 1.00 0.00 C ATOM 189 C ILE A 12 -6.078 0.575 5.210 1.00 0.00 C ATOM 190 O ILE A 12 -5.544 -0.353 4.604 1.00 0.00 O ATOM 191 CB ILE A 12 -8.408 0.101 4.510 1.00 0.00 C ATOM 192 CG1 ILE A 12 -8.444 -0.438 3.080 1.00 0.00 C ATOM 193 CG2 ILE A 12 -9.780 0.587 4.931 1.00 0.00 C ATOM 194 CD1 ILE A 12 -8.386 -1.948 3.009 1.00 0.00 C ATOM 0 H ILE A 12 -7.494 1.556 2.610 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.740 1.960 5.384 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.114 -0.722 5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.355 -0.093 2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -7.606 -0.022 2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.506 -0.216 4.802 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.754 0.888 5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.069 1.439 4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.415 -2.265 1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.462 -2.299 3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.239 -2.370 3.541 1.00 0.00 H new ATOM 206 N ARG A 13 -5.607 1.054 6.354 1.00 0.00 N ATOM 207 CA ARG A 13 -4.409 0.501 6.972 1.00 0.00 C ATOM 208 C ARG A 13 -4.626 -0.974 7.274 1.00 0.00 C ATOM 209 O ARG A 13 -3.672 -1.734 7.452 1.00 0.00 O ATOM 210 CB ARG A 13 -4.078 1.254 8.261 1.00 0.00 C ATOM 211 CG ARG A 13 -2.641 1.748 8.329 1.00 0.00 C ATOM 212 CD ARG A 13 -2.228 2.061 9.759 1.00 0.00 C ATOM 213 NE ARG A 13 -1.692 3.413 9.892 1.00 0.00 N ATOM 214 CZ ARG A 13 -0.569 3.821 9.310 1.00 0.00 C ATOM 215 NH1 ARG A 13 0.132 2.981 8.560 1.00 0.00 N ATOM 216 NH2 ARG A 13 -0.145 5.066 9.481 1.00 0.00 N ATOM 0 H ARG A 13 -6.035 1.822 6.871 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.572 0.610 6.282 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.751 2.106 8.356 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.269 0.601 9.112 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.975 0.992 7.914 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.532 2.641 7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.089 1.946 10.418 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.478 1.340 10.085 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.208 4.082 10.464 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.191 2.022 8.430 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.994 3.294 8.113 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.681 5.712 10.060 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.717 5.377 9.033 1.00 0.00 H new ATOM 230 N SER A 14 -5.898 -1.359 7.330 1.00 0.00 N ATOM 231 CA SER A 14 -6.296 -2.735 7.609 1.00 0.00 C ATOM 232 C SER A 14 -5.218 -3.727 7.211 1.00 0.00 C ATOM 233 O SER A 14 -4.399 -4.136 8.033 1.00 0.00 O ATOM 234 CB SER A 14 -7.597 -3.062 6.876 1.00 0.00 C ATOM 235 OG SER A 14 -8.670 -3.218 7.790 1.00 0.00 O ATOM 0 H SER A 14 -6.683 -0.724 7.183 1.00 0.00 H new ATOM 0 HA SER A 14 -6.448 -2.822 8.685 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.830 -2.266 6.169 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.472 -3.977 6.297 1.00 0.00 H new ATOM 0 HG SER A 14 -9.492 -3.425 7.298 1.00 0.00 H new ATOM 241 N ARG A 15 -5.225 -4.115 5.947 1.00 0.00 N ATOM 242 CA ARG A 15 -4.242 -5.066 5.443 1.00 0.00 C ATOM 243 C ARG A 15 -4.398 -5.252 3.947 1.00 0.00 C ATOM 244 O ARG A 15 -4.216 -6.348 3.415 1.00 0.00 O ATOM 245 CB ARG A 15 -4.376 -6.410 6.163 1.00 0.00 C ATOM 246 CG ARG A 15 -5.813 -6.893 6.291 1.00 0.00 C ATOM 247 CD ARG A 15 -5.934 -8.375 5.976 1.00 0.00 C ATOM 248 NE ARG A 15 -5.139 -8.753 4.808 1.00 0.00 N ATOM 249 CZ ARG A 15 -4.070 -9.551 4.844 1.00 0.00 C ATOM 250 NH1 ARG A 15 -3.638 -10.069 5.991 1.00 0.00 N ATOM 251 NH2 ARG A 15 -3.423 -9.832 3.722 1.00 0.00 N ATOM 0 H ARG A 15 -5.896 -3.789 5.252 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.248 -4.665 5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.796 -7.160 5.625 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.941 -6.324 7.159 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.172 -6.705 7.303 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.451 -6.323 5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.610 -8.957 6.839 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.980 -8.624 5.798 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.422 -8.380 3.902 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.126 -9.858 6.862 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.819 -10.677 6.000 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.743 -9.439 2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.605 -10.441 3.744 1.00 0.00 H new ATOM 265 N SER A 16 -4.736 -4.164 3.278 1.00 0.00 N ATOM 266 CA SER A 16 -4.924 -4.181 1.830 1.00 0.00 C ATOM 267 C SER A 16 -5.087 -2.773 1.282 1.00 0.00 C ATOM 268 O SER A 16 -6.069 -2.475 0.605 1.00 0.00 O ATOM 269 CB SER A 16 -6.150 -5.014 1.464 1.00 0.00 C ATOM 270 OG SER A 16 -5.958 -6.379 1.791 1.00 0.00 O ATOM 0 H SER A 16 -4.887 -3.253 3.712 1.00 0.00 H new ATOM 0 HA SER A 16 -4.035 -4.628 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.024 -4.631 1.991 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.353 -4.918 0.397 1.00 0.00 H new ATOM 0 HG SER A 16 -5.040 -6.514 2.106 1.00 0.00 H new ATOM 276 N ASN A 17 -4.129 -1.905 1.580 1.00 0.00 N ATOM 277 CA ASN A 17 -4.189 -0.534 1.116 1.00 0.00 C ATOM 278 C ASN A 17 -2.927 0.232 1.484 1.00 0.00 C ATOM 279 O ASN A 17 -2.365 0.043 2.563 1.00 0.00 O ATOM 280 CB ASN A 17 -5.399 0.151 1.728 1.00 0.00 C ATOM 281 CG ASN A 17 -6.404 0.606 0.686 1.00 0.00 C ATOM 282 OD1 ASN A 17 -6.761 1.780 0.623 1.00 0.00 O ATOM 283 ND2 ASN A 17 -6.869 -0.324 -0.138 1.00 0.00 N ATOM 0 H ASN A 17 -3.306 -2.129 2.139 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.273 -0.543 0.029 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.886 -0.534 2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.069 1.012 2.309 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.548 -0.075 -0.857 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.547 -1.288 -0.053 1.00 0.00 H new ATOM 290 N CYS A 18 -2.496 1.108 0.588 1.00 0.00 N ATOM 291 CA CYS A 18 -1.311 1.914 0.826 1.00 0.00 C ATOM 292 C CYS A 18 -1.694 3.371 1.028 1.00 0.00 C ATOM 293 O CYS A 18 -2.573 3.891 0.341 1.00 0.00 O ATOM 294 CB CYS A 18 -0.328 1.783 -0.335 1.00 0.00 C ATOM 295 SG CYS A 18 -0.766 0.520 -1.568 1.00 0.00 S ATOM 0 H CYS A 18 -2.950 1.278 -0.310 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.826 1.550 1.732 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.249 2.748 -0.836 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.658 1.551 0.067 1.00 0.00 H new ATOM 300 N PRO A 19 -1.040 4.054 1.977 1.00 0.00 N ATOM 301 CA PRO A 19 -1.323 5.458 2.264 1.00 0.00 C ATOM 302 C PRO A 19 -1.088 6.339 1.046 1.00 0.00 C ATOM 303 O PRO A 19 -1.152 5.873 -0.091 1.00 0.00 O ATOM 304 CB PRO A 19 -0.335 5.812 3.382 1.00 0.00 C ATOM 305 CG PRO A 19 0.068 4.504 3.971 1.00 0.00 C ATOM 306 CD PRO A 19 0.021 3.516 2.842 1.00 0.00 C ATOM 0 HA PRO A 19 -2.364 5.617 2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.528 6.351 2.990 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.799 6.455 4.130 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.068 4.560 4.400 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.608 4.212 4.775 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.976 3.454 2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.215 2.512 3.194 1.00 0.00 H new ATOM 314 N LYS A 20 -0.812 7.611 1.291 1.00 0.00 N ATOM 315 CA LYS A 20 -0.560 8.559 0.215 1.00 0.00 C ATOM 316 C LYS A 20 0.919 8.568 -0.154 1.00 0.00 C ATOM 317 O LYS A 20 1.785 8.554 0.720 1.00 0.00 O ATOM 318 CB LYS A 20 -0.989 9.956 0.646 1.00 0.00 C ATOM 319 CG LYS A 20 -0.234 10.445 1.866 1.00 0.00 C ATOM 320 CD LYS A 20 -0.423 11.936 2.080 1.00 0.00 C ATOM 321 CE LYS A 20 0.375 12.432 3.274 1.00 0.00 C ATOM 322 NZ LYS A 20 0.469 13.917 3.301 1.00 0.00 N ATOM 0 H LYS A 20 -0.757 8.012 2.227 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.137 8.255 -0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.831 10.652 -0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.058 9.954 0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.577 9.904 2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.827 10.225 1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.114 12.475 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.480 12.152 2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.092 12.081 4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.378 12.005 3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.021 14.215 4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.938 14.251 2.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.486 14.324 3.356 1.00 0.00 H new ATOM 336 N GLY A 21 1.202 8.589 -1.449 1.00 0.00 N ATOM 337 CA GLY A 21 2.580 8.597 -1.899 1.00 0.00 C ATOM 338 C GLY A 21 3.448 7.674 -1.072 1.00 0.00 C ATOM 339 O GLY A 21 4.480 8.085 -0.544 1.00 0.00 O ATOM 0 H GLY A 21 0.505 8.601 -2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.622 8.294 -2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.974 9.612 -1.844 1.00 0.00 H new ATOM 343 N LYS A 22 3.018 6.424 -0.954 1.00 0.00 N ATOM 344 CA LYS A 22 3.747 5.434 -0.182 1.00 0.00 C ATOM 345 C LYS A 22 4.561 4.534 -1.102 1.00 0.00 C ATOM 346 O LYS A 22 4.786 4.863 -2.266 1.00 0.00 O ATOM 347 CB LYS A 22 2.765 4.613 0.655 1.00 0.00 C ATOM 348 CG LYS A 22 1.460 4.310 -0.064 1.00 0.00 C ATOM 349 CD LYS A 22 1.692 3.826 -1.492 1.00 0.00 C ATOM 350 CE LYS A 22 2.162 2.367 -1.580 1.00 0.00 C ATOM 351 NZ LYS A 22 2.627 1.780 -0.281 1.00 0.00 N ATOM 0 H LYS A 22 2.163 6.074 -1.387 1.00 0.00 H new ATOM 0 HA LYS A 22 4.441 5.942 0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.240 3.674 0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.546 5.152 1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.908 3.551 0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.839 5.206 -0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.767 3.935 -2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.434 4.467 -1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.344 1.759 -1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.975 2.304 -2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.602 0.742 -0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.600 2.092 -0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.002 2.098 0.487 1.00 0.00 H new ATOM 365 N VAL A 23 5.006 3.407 -0.575 1.00 0.00 N ATOM 366 CA VAL A 23 5.798 2.475 -1.348 1.00 0.00 C ATOM 367 C VAL A 23 5.705 1.056 -0.809 1.00 0.00 C ATOM 368 O VAL A 23 6.125 0.773 0.311 1.00 0.00 O ATOM 369 CB VAL A 23 7.261 2.900 -1.360 1.00 0.00 C ATOM 370 CG1 VAL A 23 7.557 3.677 -2.623 1.00 0.00 C ATOM 371 CG2 VAL A 23 7.597 3.724 -0.127 1.00 0.00 C ATOM 0 H VAL A 23 4.830 3.117 0.387 1.00 0.00 H new ATOM 0 HA VAL A 23 5.394 2.486 -2.360 1.00 0.00 H new ATOM 0 HB VAL A 23 7.886 2.007 -1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.604 3.979 -2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.357 3.050 -3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.924 4.563 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.647 4.015 -0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.973 4.618 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.412 3.131 0.769 1.00 0.00 H new ATOM 381 N TRP A 24 5.150 0.166 -1.615 1.00 0.00 N ATOM 382 CA TRP A 24 4.998 -1.216 -1.224 1.00 0.00 C ATOM 383 C TRP A 24 6.350 -1.900 -1.123 1.00 0.00 C ATOM 384 O TRP A 24 7.375 -1.362 -1.541 1.00 0.00 O ATOM 385 CB TRP A 24 4.097 -1.922 -2.232 1.00 0.00 C ATOM 386 CG TRP A 24 4.285 -3.405 -2.363 1.00 0.00 C ATOM 387 CD1 TRP A 24 5.145 -4.059 -3.195 1.00 0.00 C ATOM 388 CD2 TRP A 24 3.570 -4.417 -1.661 1.00 0.00 C ATOM 389 NE1 TRP A 24 4.989 -5.417 -3.065 1.00 0.00 N ATOM 390 CE2 TRP A 24 4.030 -5.661 -2.123 1.00 0.00 C ATOM 391 CE3 TRP A 24 2.587 -4.386 -0.687 1.00 0.00 C ATOM 392 CZ2 TRP A 24 3.531 -6.866 -1.642 1.00 0.00 C ATOM 393 CZ3 TRP A 24 2.095 -5.580 -0.200 1.00 0.00 C ATOM 394 CH2 TRP A 24 2.566 -6.805 -0.678 1.00 0.00 C ATOM 0 H TRP A 24 4.797 0.382 -2.547 1.00 0.00 H new ATOM 0 HA TRP A 24 4.536 -1.266 -0.238 1.00 0.00 H new ATOM 0 HB2 TRP A 24 3.060 -1.731 -1.957 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.256 -1.469 -3.210 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.847 -3.578 -3.860 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.504 -6.127 -3.586 1.00 0.00 H new ATOM 0 HE3 TRP A 24 2.212 -3.444 -0.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.892 -7.813 -2.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.332 -5.567 0.564 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.159 -7.722 -0.277 1.00 0.00 H new ATOM 405 N ASN A 25 6.327 -3.078 -0.544 1.00 0.00 N ATOM 406 CA ASN A 25 7.529 -3.872 -0.339 1.00 0.00 C ATOM 407 C ASN A 25 7.210 -5.349 -0.503 1.00 0.00 C ATOM 408 O ASN A 25 6.074 -5.711 -0.761 1.00 0.00 O ATOM 409 CB ASN A 25 8.106 -3.611 1.055 1.00 0.00 C ATOM 410 CG ASN A 25 9.575 -3.976 1.154 1.00 0.00 C ATOM 411 OD1 ASN A 25 10.349 -3.740 0.227 1.00 0.00 O ATOM 412 ND2 ASN A 25 9.965 -4.557 2.283 1.00 0.00 N ATOM 0 H ASN A 25 5.475 -3.519 -0.199 1.00 0.00 H new ATOM 0 HA ASN A 25 8.271 -3.584 -1.084 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.979 -2.558 1.306 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.542 -4.184 1.791 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.941 -4.826 2.407 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.289 -4.734 3.026 1.00 0.00 H new ATOM 419 N GLY A 26 8.215 -6.194 -0.358 1.00 0.00 N ATOM 420 CA GLY A 26 8.015 -7.622 -0.506 1.00 0.00 C ATOM 421 C GLY A 26 6.625 -8.106 -0.104 1.00 0.00 C ATOM 422 O GLY A 26 6.117 -9.064 -0.686 1.00 0.00 O ATOM 0 H GLY A 26 9.172 -5.917 -0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.196 -7.897 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.758 -8.145 0.096 1.00 0.00 H new ATOM 426 N PHE A 27 6.002 -7.464 0.888 1.00 0.00 N ATOM 427 CA PHE A 27 4.678 -7.873 1.330 1.00 0.00 C ATOM 428 C PHE A 27 4.000 -6.790 2.165 1.00 0.00 C ATOM 429 O PHE A 27 3.472 -7.080 3.238 1.00 0.00 O ATOM 430 CB PHE A 27 4.771 -9.166 2.140 1.00 0.00 C ATOM 431 CG PHE A 27 4.898 -10.399 1.290 1.00 0.00 C ATOM 432 CD1 PHE A 27 4.128 -10.549 0.147 1.00 0.00 C ATOM 433 CD2 PHE A 27 5.787 -11.406 1.632 1.00 0.00 C ATOM 434 CE1 PHE A 27 4.243 -11.680 -0.639 1.00 0.00 C ATOM 435 CE2 PHE A 27 5.906 -12.539 0.849 1.00 0.00 C ATOM 436 CZ PHE A 27 5.133 -12.676 -0.287 1.00 0.00 C ATOM 0 H PHE A 27 6.393 -6.668 1.392 1.00 0.00 H new ATOM 0 HA PHE A 27 4.071 -8.040 0.440 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.630 -9.105 2.809 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.884 -9.257 2.767 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.430 -9.773 -0.132 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.393 -11.304 2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.638 -11.785 -1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.603 -13.316 1.126 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.224 -13.561 -0.900 1.00 0.00 H new ATOM 446 N ASP A 28 4.012 -5.545 1.690 1.00 0.00 N ATOM 447 CA ASP A 28 3.386 -4.456 2.448 1.00 0.00 C ATOM 448 C ASP A 28 3.306 -3.178 1.636 1.00 0.00 C ATOM 449 O ASP A 28 4.165 -2.913 0.810 1.00 0.00 O ATOM 450 CB ASP A 28 4.169 -4.180 3.717 1.00 0.00 C ATOM 451 CG ASP A 28 3.810 -5.125 4.848 1.00 0.00 C ATOM 452 OD1 ASP A 28 2.642 -5.103 5.290 1.00 0.00 O ATOM 453 OD2 ASP A 28 4.696 -5.887 5.289 1.00 0.00 O ATOM 0 H ASP A 28 4.437 -5.266 0.805 1.00 0.00 H new ATOM 0 HA ASP A 28 2.374 -4.777 2.693 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.235 -4.263 3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.986 -3.154 4.035 1.00 0.00 H new ATOM 458 N CYS A 29 2.262 -2.394 1.867 1.00 0.00 N ATOM 459 CA CYS A 29 2.068 -1.142 1.142 1.00 0.00 C ATOM 460 C CYS A 29 2.177 0.035 2.099 1.00 0.00 C ATOM 461 O CYS A 29 1.229 0.334 2.819 1.00 0.00 O ATOM 462 CB CYS A 29 0.690 -1.131 0.485 1.00 0.00 C ATOM 463 SG CYS A 29 0.701 -0.858 -1.314 1.00 0.00 S ATOM 0 H CYS A 29 1.535 -2.602 2.551 1.00 0.00 H new ATOM 0 HA CYS A 29 2.838 -1.058 0.375 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.198 -2.082 0.691 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.087 -0.352 0.952 1.00 0.00 H new ATOM 468 N LYS A 30 3.332 0.694 2.126 1.00 0.00 N ATOM 469 CA LYS A 30 3.519 1.813 3.030 1.00 0.00 C ATOM 470 C LYS A 30 4.696 2.694 2.623 1.00 0.00 C ATOM 471 O LYS A 30 5.656 2.227 2.016 1.00 0.00 O ATOM 472 CB LYS A 30 3.725 1.281 4.439 1.00 0.00 C ATOM 473 CG LYS A 30 2.724 1.832 5.426 1.00 0.00 C ATOM 474 CD LYS A 30 1.420 1.046 5.440 1.00 0.00 C ATOM 475 CE LYS A 30 1.659 -0.457 5.419 1.00 0.00 C ATOM 476 NZ LYS A 30 0.421 -1.219 5.744 1.00 0.00 N ATOM 0 H LYS A 30 4.138 0.474 1.541 1.00 0.00 H new ATOM 0 HA LYS A 30 2.626 2.437 2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.654 0.193 4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.732 1.530 4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.161 1.821 6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.514 2.873 5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.848 1.310 6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.817 1.329 4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.020 -0.754 4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.440 -0.711 6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.624 -2.239 5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.090 -0.955 6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.317 -0.996 5.046 1.00 0.00 H new ATOM 490 N SER A 31 4.619 3.972 2.977 1.00 0.00 N ATOM 491 CA SER A 31 5.682 4.918 2.659 1.00 0.00 C ATOM 492 C SER A 31 7.049 4.317 2.956 1.00 0.00 C ATOM 493 O SER A 31 7.153 3.250 3.559 1.00 0.00 O ATOM 494 CB SER A 31 5.498 6.215 3.452 1.00 0.00 C ATOM 495 OG SER A 31 4.219 6.267 4.059 1.00 0.00 O ATOM 0 H SER A 31 3.832 4.377 3.484 1.00 0.00 H new ATOM 0 HA SER A 31 5.626 5.143 1.594 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.270 6.289 4.218 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.624 7.071 2.789 1.00 0.00 H new ATOM 0 HG SER A 31 4.154 7.070 4.617 1.00 0.00 H new ATOM 501 N PRO A 32 8.121 5.007 2.541 1.00 0.00 N ATOM 502 CA PRO A 32 9.490 4.543 2.768 1.00 0.00 C ATOM 503 C PRO A 32 9.890 4.663 4.225 1.00 0.00 C ATOM 504 O PRO A 32 10.945 4.179 4.636 1.00 0.00 O ATOM 505 CB PRO A 32 10.330 5.472 1.893 1.00 0.00 C ATOM 506 CG PRO A 32 9.523 6.722 1.787 1.00 0.00 C ATOM 507 CD PRO A 32 8.080 6.295 1.827 1.00 0.00 C ATOM 0 HA PRO A 32 9.618 3.489 2.523 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.304 5.666 2.342 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.513 5.034 0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 32 9.750 7.403 2.607 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.747 7.252 0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.460 7.024 2.349 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.666 6.185 0.825 1.00 0.00 H new ATOM 515 N PHE A 33 9.033 5.300 5.002 1.00 0.00 N ATOM 516 CA PHE A 33 9.277 5.476 6.417 1.00 0.00 C ATOM 517 C PHE A 33 8.983 4.182 7.172 1.00 0.00 C ATOM 518 O PHE A 33 9.238 4.081 8.372 1.00 0.00 O ATOM 519 CB PHE A 33 8.403 6.604 6.952 1.00 0.00 C ATOM 520 CG PHE A 33 8.031 7.622 5.910 1.00 0.00 C ATOM 521 CD1 PHE A 33 8.937 7.993 4.929 1.00 0.00 C ATOM 522 CD2 PHE A 33 6.775 8.206 5.912 1.00 0.00 C ATOM 523 CE1 PHE A 33 8.597 8.929 3.971 1.00 0.00 C ATOM 524 CE2 PHE A 33 6.429 9.142 4.957 1.00 0.00 C ATOM 525 CZ PHE A 33 7.341 9.504 3.985 1.00 0.00 C ATOM 0 H PHE A 33 8.157 5.705 4.672 1.00 0.00 H new ATOM 0 HA PHE A 33 10.326 5.733 6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.492 6.178 7.374 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.928 7.104 7.766 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.920 7.546 4.913 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.058 7.926 6.669 1.00 0.00 H new ATOM 0 HE1 PHE A 33 9.312 9.211 3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.447 9.590 4.970 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.073 10.235 3.237 1.00 0.00 H new ATOM 535 N ALA A 34 8.439 3.197 6.459 1.00 0.00 N ATOM 536 CA ALA A 34 8.105 1.913 7.061 1.00 0.00 C ATOM 537 C ALA A 34 8.727 0.756 6.290 1.00 0.00 C ATOM 538 O ALA A 34 8.074 -0.258 6.041 1.00 0.00 O ATOM 539 CB ALA A 34 6.596 1.748 7.132 1.00 0.00 C ATOM 0 H ALA A 34 8.221 3.266 5.465 1.00 0.00 H new ATOM 0 HA ALA A 34 8.516 1.898 8.070 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.356 0.785 7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.171 2.549 7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.178 1.792 6.126 1.00 0.00 H new ATOM 545 N PHE A 35 9.991 0.910 5.923 1.00 0.00 N ATOM 546 CA PHE A 35 10.702 -0.127 5.186 1.00 0.00 C ATOM 547 C PHE A 35 12.206 0.122 5.215 1.00 0.00 C ATOM 548 O PHE A 35 12.907 -0.130 4.235 1.00 0.00 O ATOM 549 CB PHE A 35 10.206 -0.193 3.739 1.00 0.00 C ATOM 550 CG PHE A 35 8.793 -0.685 3.612 1.00 0.00 C ATOM 551 CD1 PHE A 35 8.512 -2.042 3.652 1.00 0.00 C ATOM 552 CD2 PHE A 35 7.744 0.207 3.455 1.00 0.00 C ATOM 553 CE1 PHE A 35 7.213 -2.499 3.535 1.00 0.00 C ATOM 554 CE2 PHE A 35 6.443 -0.244 3.338 1.00 0.00 C ATOM 555 CZ PHE A 35 6.178 -1.599 3.379 1.00 0.00 C ATOM 0 H PHE A 35 10.546 1.742 6.123 1.00 0.00 H new ATOM 0 HA PHE A 35 10.501 -1.083 5.669 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.278 0.799 3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.863 -0.848 3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 35 9.318 -2.750 3.776 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.946 1.268 3.424 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.008 -3.559 3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.635 0.462 3.215 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.162 -1.954 3.289 1.00 0.00 H new ATOM 565 N SER A 36 12.694 0.615 6.348 1.00 0.00 N ATOM 566 CA SER A 36 14.115 0.895 6.512 1.00 0.00 C ATOM 567 C SER A 36 14.659 0.207 7.759 1.00 0.00 C ATOM 568 O SER A 36 14.674 0.851 8.830 1.00 0.00 O ATOM 569 CB SER A 36 14.355 2.402 6.600 1.00 0.00 C ATOM 570 OG SER A 36 15.708 2.687 6.916 1.00 0.00 O ATOM 571 OXT SER A 36 15.065 -0.970 7.655 1.00 0.00 O ATOM 0 H SER A 36 12.125 0.829 7.167 1.00 0.00 H new ATOM 0 HA SER A 36 14.641 0.504 5.641 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.094 2.871 5.651 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.703 2.833 7.359 1.00 0.00 H new ATOM 0 HG SER A 36 15.835 3.657 6.965 1.00 0.00 H new TER 577 SER A 36