USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 434 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 43 ASN : amide:sc= -5.25! C(o=-5.3!,f=-8.4!) USER MOD Set 1.2: A 48 THR OG1 : rot 159:sc= -1.15 USER MOD Set 1.3: A 50 THR OG1 : rot -59:sc= 1.08 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.955 K(o=2.1,f=-1.4!) USER MOD Set 2.2: A 33 TYR OH : rot -92:sc= 1.12 USER MOD Single : A 4 MET CE :methyl 146:sc= -0.394 (180deg=-1.93!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -95:sc= -1.28! USER MOD Single : A 16 TYR OH : rot 180:sc= 0.0739 USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= -0.117 (180deg=-0.709) USER MOD Single : A 23 LYS NZ :NH3+ -151:sc= -0.111 (180deg=-0.646) USER MOD Single : A 32 THR OG1 : rot 170:sc= -0.122 USER MOD Single : A 34 ASN : amide:sc= -10.6! C(o=-11!,f=-20!) USER MOD Single : A 35 ASN : amide:sc= -8.87! C(o=-8.9!,f=-23!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-3.6) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc= -0.0488 K(o=-0.049,f=-1.7!) USER MOD Single : A 51 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.75) USER MOD Single : A 54 SER OG : rot 180:sc= -0.515 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 5.105 -29.899 2.524 1.00 0.00 N ATOM 42 CA MET A 4 4.891 -30.528 1.191 1.00 0.00 C ATOM 43 C MET A 4 6.149 -30.340 0.343 1.00 0.00 C ATOM 44 O MET A 4 6.373 -31.045 -0.621 1.00 0.00 O ATOM 45 CB MET A 4 3.700 -29.864 0.496 1.00 0.00 C ATOM 46 CG MET A 4 2.455 -29.999 1.376 1.00 0.00 C ATOM 47 SD MET A 4 1.018 -29.338 0.495 1.00 0.00 S ATOM 48 CE MET A 4 1.021 -30.528 -0.868 1.00 0.00 C ATOM 0 HA MET A 4 4.686 -31.591 1.315 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.914 -28.812 0.310 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.525 -30.330 -0.474 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.289 -31.046 1.631 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.599 -29.462 2.313 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.005 -30.730 -1.177 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.579 -30.117 -1.709 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.490 -31.456 -0.540 1.00 0.00 H new ATOM 58 N CYS A 5 6.973 -29.393 0.698 1.00 0.00 N ATOM 59 CA CYS A 5 8.220 -29.155 -0.079 1.00 0.00 C ATOM 60 C CYS A 5 9.318 -30.088 0.432 1.00 0.00 C ATOM 61 O CYS A 5 10.266 -30.391 -0.266 1.00 0.00 O ATOM 62 CB CYS A 5 8.661 -27.701 0.101 1.00 0.00 C ATOM 63 SG CYS A 5 7.243 -26.610 -0.123 1.00 0.00 S ATOM 0 H CYS A 5 6.835 -28.772 1.496 1.00 0.00 H new ATOM 0 HA CYS A 5 8.037 -29.350 -1.136 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.089 -27.560 1.094 1.00 0.00 H new ATOM 0 HB3 CYS A 5 9.440 -27.454 -0.620 1.00 0.00 H new ATOM 68 N LYS A 6 9.196 -30.549 1.647 1.00 0.00 N ATOM 69 CA LYS A 6 10.230 -31.464 2.205 1.00 0.00 C ATOM 70 C LYS A 6 10.071 -32.853 1.584 1.00 0.00 C ATOM 71 O LYS A 6 10.942 -33.694 1.690 1.00 0.00 O ATOM 72 CB LYS A 6 10.056 -31.566 3.721 1.00 0.00 C ATOM 73 CG LYS A 6 10.094 -30.168 4.343 1.00 0.00 C ATOM 74 CD LYS A 6 10.074 -30.291 5.868 1.00 0.00 C ATOM 75 CE LYS A 6 10.216 -28.904 6.496 1.00 0.00 C ATOM 76 NZ LYS A 6 10.817 -29.035 7.853 1.00 0.00 N ATOM 0 H LYS A 6 8.424 -30.331 2.277 1.00 0.00 H new ATOM 0 HA LYS A 6 11.221 -31.072 1.976 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.109 -32.053 3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.846 -32.185 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.991 -29.639 4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.240 -29.583 4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.143 -30.755 6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.886 -30.937 6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.843 -28.271 5.868 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.241 -28.421 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.914 -28.093 8.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.202 -29.625 8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.754 -29.479 7.776 1.00 0.00 H new ATOM 90 N ASP A 7 8.962 -33.105 0.943 1.00 0.00 N ATOM 91 CA ASP A 7 8.747 -34.443 0.325 1.00 0.00 C ATOM 92 C ASP A 7 8.810 -34.328 -1.199 1.00 0.00 C ATOM 93 O ASP A 7 8.591 -35.287 -1.912 1.00 0.00 O ATOM 94 CB ASP A 7 7.375 -34.980 0.737 1.00 0.00 C ATOM 95 CG ASP A 7 7.379 -35.301 2.233 1.00 0.00 C ATOM 96 OD1 ASP A 7 8.447 -35.272 2.821 1.00 0.00 O ATOM 97 OD2 ASP A 7 6.314 -35.571 2.764 1.00 0.00 O ATOM 0 H ASP A 7 8.196 -32.442 0.821 1.00 0.00 H new ATOM 0 HA ASP A 7 9.526 -35.125 0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.603 -34.243 0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.136 -35.875 0.163 1.00 0.00 H new ATOM 102 N TYR A 8 9.110 -33.165 -1.709 1.00 0.00 N ATOM 103 CA TYR A 8 9.186 -33.002 -3.188 1.00 0.00 C ATOM 104 C TYR A 8 10.604 -32.563 -3.576 1.00 0.00 C ATOM 105 O TYR A 8 11.321 -31.977 -2.788 1.00 0.00 O ATOM 106 CB TYR A 8 8.130 -31.967 -3.641 1.00 0.00 C ATOM 107 CG TYR A 8 8.780 -30.690 -4.136 1.00 0.00 C ATOM 108 CD1 TYR A 8 9.426 -29.839 -3.233 1.00 0.00 C ATOM 109 CD2 TYR A 8 8.738 -30.365 -5.497 1.00 0.00 C ATOM 110 CE1 TYR A 8 10.031 -28.662 -3.689 1.00 0.00 C ATOM 111 CE2 TYR A 8 9.343 -29.189 -5.954 1.00 0.00 C ATOM 112 CZ TYR A 8 9.990 -28.337 -5.050 1.00 0.00 C ATOM 113 OH TYR A 8 10.588 -27.179 -5.501 1.00 0.00 O ATOM 0 H TYR A 8 9.305 -32.323 -1.167 1.00 0.00 H new ATOM 0 HA TYR A 8 8.973 -33.947 -3.687 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.516 -32.395 -4.434 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.463 -31.738 -2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 8 9.458 -30.090 -2.183 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.239 -31.022 -6.194 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.529 -28.005 -2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 8 9.311 -28.938 -7.004 1.00 0.00 H new ATOM 0 HH TYR A 8 9.920 -26.464 -5.550 1.00 0.00 H new ATOM 123 N ARG A 9 11.012 -32.840 -4.784 1.00 0.00 N ATOM 124 CA ARG A 9 12.379 -32.436 -5.221 1.00 0.00 C ATOM 125 C ARG A 9 12.310 -31.856 -6.634 1.00 0.00 C ATOM 126 O ARG A 9 11.725 -32.438 -7.527 1.00 0.00 O ATOM 127 CB ARG A 9 13.299 -33.658 -5.213 1.00 0.00 C ATOM 128 CG ARG A 9 13.714 -33.972 -3.775 1.00 0.00 C ATOM 129 CD ARG A 9 14.787 -35.062 -3.778 1.00 0.00 C ATOM 130 NE ARG A 9 14.819 -35.732 -2.447 1.00 0.00 N ATOM 131 CZ ARG A 9 15.845 -36.464 -2.109 1.00 0.00 C ATOM 132 NH1 ARG A 9 16.544 -37.071 -3.028 1.00 0.00 N ATOM 133 NH2 ARG A 9 16.172 -36.588 -0.852 1.00 0.00 N ATOM 0 H ARG A 9 10.458 -33.329 -5.488 1.00 0.00 H new ATOM 0 HA ARG A 9 12.772 -31.683 -4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.787 -34.515 -5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.181 -33.467 -5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.096 -33.073 -3.291 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.849 -34.301 -3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.577 -35.792 -4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.761 -34.627 -4.002 1.00 0.00 H new ATOM 0 HE ARG A 9 14.039 -35.618 -1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.289 -36.973 -4.011 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.346 -37.643 -2.764 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.626 -36.113 -0.134 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.974 -37.160 -0.588 1.00 0.00 H new ATOM 147 N VAL A 10 12.900 -30.712 -6.846 1.00 0.00 N ATOM 148 CA VAL A 10 12.862 -30.095 -8.201 1.00 0.00 C ATOM 149 C VAL A 10 14.283 -29.710 -8.627 1.00 0.00 C ATOM 150 O VAL A 10 15.081 -29.263 -7.828 1.00 0.00 O ATOM 151 CB VAL A 10 11.972 -28.848 -8.167 1.00 0.00 C ATOM 152 CG1 VAL A 10 12.722 -27.691 -7.501 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.592 -28.453 -9.595 1.00 0.00 C ATOM 0 H VAL A 10 13.406 -30.178 -6.140 1.00 0.00 H new ATOM 0 HA VAL A 10 12.454 -30.808 -8.918 1.00 0.00 H new ATOM 0 HB VAL A 10 11.070 -29.067 -7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.084 -26.808 -7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.989 -27.970 -6.482 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.628 -27.471 -8.066 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.959 -27.566 -9.571 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.495 -28.239 -10.166 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.050 -29.273 -10.067 1.00 0.00 H new ATOM 163 N LEU A 11 14.603 -29.878 -9.882 1.00 0.00 N ATOM 164 CA LEU A 11 15.969 -29.521 -10.356 1.00 0.00 C ATOM 165 C LEU A 11 15.910 -28.199 -11.124 1.00 0.00 C ATOM 166 O LEU A 11 14.848 -27.666 -11.373 1.00 0.00 O ATOM 167 CB LEU A 11 16.493 -30.625 -11.278 1.00 0.00 C ATOM 168 CG LEU A 11 17.557 -31.443 -10.543 1.00 0.00 C ATOM 169 CD1 LEU A 11 16.989 -32.820 -10.189 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.782 -31.613 -11.445 1.00 0.00 C ATOM 0 H LEU A 11 13.977 -30.247 -10.598 1.00 0.00 H new ATOM 0 HA LEU A 11 16.637 -29.416 -9.501 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.673 -31.272 -11.590 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.916 -30.188 -12.182 1.00 0.00 H new ATOM 0 HG LEU A 11 17.847 -30.924 -9.629 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.747 -33.403 -9.665 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.116 -32.700 -9.547 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.699 -33.340 -11.102 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.541 -32.196 -10.922 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.492 -32.132 -12.359 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.187 -30.633 -11.697 1.00 0.00 H new ATOM 182 N PRO A 12 17.079 -27.664 -11.507 1.00 0.00 N ATOM 183 CA PRO A 12 17.165 -26.400 -12.251 1.00 0.00 C ATOM 184 C PRO A 12 16.609 -26.539 -13.669 1.00 0.00 C ATOM 185 O PRO A 12 16.143 -25.584 -14.260 1.00 0.00 O ATOM 186 CB PRO A 12 18.666 -26.115 -12.298 1.00 0.00 C ATOM 187 CG PRO A 12 19.305 -27.455 -12.156 1.00 0.00 C ATOM 188 CD PRO A 12 18.407 -28.246 -11.246 1.00 0.00 C ATOM 0 HA PRO A 12 16.584 -25.606 -11.782 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.950 -25.637 -13.236 1.00 0.00 H new ATOM 0 HB3 PRO A 12 18.968 -25.444 -11.494 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.407 -27.944 -13.125 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.307 -27.367 -11.736 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.434 -29.311 -11.477 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.696 -28.140 -10.201 1.00 0.00 H new ATOM 196 N ARG A 13 16.648 -27.721 -14.217 1.00 0.00 N ATOM 197 CA ARG A 13 16.116 -27.921 -15.594 1.00 0.00 C ATOM 198 C ARG A 13 14.626 -28.261 -15.516 1.00 0.00 C ATOM 199 O ARG A 13 13.866 -27.976 -16.421 1.00 0.00 O ATOM 200 CB ARG A 13 16.867 -29.067 -16.274 1.00 0.00 C ATOM 201 CG ARG A 13 18.335 -28.677 -16.459 1.00 0.00 C ATOM 202 CD ARG A 13 19.065 -29.786 -17.217 1.00 0.00 C ATOM 203 NE ARG A 13 20.522 -29.482 -17.261 1.00 0.00 N ATOM 204 CZ ARG A 13 21.146 -29.436 -18.406 1.00 0.00 C ATOM 205 NH1 ARG A 13 20.594 -28.834 -19.425 1.00 0.00 N ATOM 206 NH2 ARG A 13 22.318 -29.993 -18.533 1.00 0.00 N ATOM 0 H ARG A 13 17.025 -28.557 -13.771 1.00 0.00 H new ATOM 0 HA ARG A 13 16.253 -27.008 -16.173 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.793 -29.972 -15.671 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.414 -29.290 -17.240 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.407 -27.738 -17.008 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.804 -28.515 -15.489 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.898 -30.746 -16.728 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.670 -29.870 -18.229 1.00 0.00 H new ATOM 0 HE ARG A 13 21.033 -29.310 -16.395 1.00 0.00 H new ATOM 0 HH11 ARG A 13 19.676 -28.400 -19.325 1.00 0.00 H new ATOM 0 HH12 ARG A 13 21.081 -28.797 -20.321 1.00 0.00 H new ATOM 0 HH21 ARG A 13 22.747 -30.465 -17.737 1.00 0.00 H new ATOM 0 HH22 ARG A 13 22.806 -29.957 -19.428 1.00 0.00 H new ATOM 220 N ILE A 14 14.201 -28.865 -14.440 1.00 0.00 N ATOM 221 CA ILE A 14 12.761 -29.217 -14.304 1.00 0.00 C ATOM 222 C ILE A 14 11.993 -28.007 -13.770 1.00 0.00 C ATOM 223 O ILE A 14 10.896 -27.715 -14.202 1.00 0.00 O ATOM 224 CB ILE A 14 12.610 -30.388 -13.329 1.00 0.00 C ATOM 225 CG1 ILE A 14 13.386 -31.596 -13.857 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.130 -30.751 -13.195 1.00 0.00 C ATOM 227 CD1 ILE A 14 13.024 -31.835 -15.325 1.00 0.00 C ATOM 0 H ILE A 14 14.789 -29.129 -13.650 1.00 0.00 H new ATOM 0 HA ILE A 14 12.362 -29.503 -15.277 1.00 0.00 H new ATOM 0 HB ILE A 14 13.004 -30.102 -12.354 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.458 -31.424 -13.759 1.00 0.00 H new ATOM 0 HG13 ILE A 14 13.150 -32.480 -13.265 1.00 0.00 H new ATOM 0 HG21 ILE A 14 11.021 -31.585 -12.501 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.577 -29.891 -12.818 1.00 0.00 H new ATOM 0 HG23 ILE A 14 10.736 -31.037 -14.170 1.00 0.00 H new ATOM 0 HD11 ILE A 14 13.577 -32.696 -15.701 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.954 -32.026 -15.409 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.282 -30.953 -15.912 1.00 0.00 H new ATOM 239 N GLY A 15 12.563 -27.301 -12.832 1.00 0.00 N ATOM 240 CA GLY A 15 11.868 -26.109 -12.270 1.00 0.00 C ATOM 241 C GLY A 15 10.648 -26.563 -11.468 1.00 0.00 C ATOM 242 O GLY A 15 10.110 -27.630 -11.690 1.00 0.00 O ATOM 0 H GLY A 15 13.480 -27.498 -12.431 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.548 -25.546 -11.631 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.560 -25.441 -13.074 1.00 0.00 H new ATOM 246 N TYR A 16 10.209 -25.764 -10.535 1.00 0.00 N ATOM 247 CA TYR A 16 9.026 -26.155 -9.721 1.00 0.00 C ATOM 248 C TYR A 16 7.845 -26.459 -10.644 1.00 0.00 C ATOM 249 O TYR A 16 7.701 -25.874 -11.700 1.00 0.00 O ATOM 250 CB TYR A 16 8.652 -25.013 -8.777 1.00 0.00 C ATOM 251 CG TYR A 16 8.121 -25.588 -7.486 1.00 0.00 C ATOM 252 CD1 TYR A 16 6.906 -26.281 -7.478 1.00 0.00 C ATOM 253 CD2 TYR A 16 8.846 -25.432 -6.299 1.00 0.00 C ATOM 254 CE1 TYR A 16 6.413 -26.818 -6.284 1.00 0.00 C ATOM 255 CE2 TYR A 16 8.354 -25.970 -5.104 1.00 0.00 C ATOM 256 CZ TYR A 16 7.137 -26.663 -5.097 1.00 0.00 C ATOM 257 OH TYR A 16 6.652 -27.194 -3.920 1.00 0.00 O ATOM 0 H TYR A 16 10.618 -24.859 -10.302 1.00 0.00 H new ATOM 0 HA TYR A 16 9.269 -27.043 -9.138 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.523 -24.389 -8.579 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.900 -24.374 -9.240 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.348 -26.402 -8.395 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.784 -24.897 -6.305 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.474 -27.352 -6.279 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.913 -25.851 -4.188 1.00 0.00 H new ATOM 0 HH TYR A 16 7.276 -26.997 -3.191 1.00 0.00 H new ATOM 267 N LEU A 17 6.997 -27.370 -10.252 1.00 0.00 N ATOM 268 CA LEU A 17 5.823 -27.713 -11.100 1.00 0.00 C ATOM 269 C LEU A 17 4.538 -27.511 -10.292 1.00 0.00 C ATOM 270 O LEU A 17 4.334 -28.134 -9.268 1.00 0.00 O ATOM 271 CB LEU A 17 5.925 -29.173 -11.543 1.00 0.00 C ATOM 272 CG LEU A 17 4.787 -29.494 -12.514 1.00 0.00 C ATOM 273 CD1 LEU A 17 5.044 -28.800 -13.854 1.00 0.00 C ATOM 274 CD2 LEU A 17 4.713 -31.007 -12.731 1.00 0.00 C ATOM 0 H LEU A 17 7.068 -27.892 -9.379 1.00 0.00 H new ATOM 0 HA LEU A 17 5.805 -27.068 -11.979 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.887 -29.352 -12.022 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.874 -29.831 -10.676 1.00 0.00 H new ATOM 0 HG LEU A 17 3.845 -29.139 -12.097 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.232 -29.030 -14.544 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.096 -27.722 -13.701 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.987 -29.153 -14.272 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.902 -31.236 -13.423 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.656 -31.361 -13.147 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.528 -31.503 -11.778 1.00 0.00 H new ATOM 286 N CYS A 18 3.674 -26.645 -10.742 1.00 0.00 N ATOM 287 CA CYS A 18 2.405 -26.400 -10.000 1.00 0.00 C ATOM 288 C CYS A 18 1.217 -26.786 -10.879 1.00 0.00 C ATOM 289 O CYS A 18 1.305 -26.801 -12.091 1.00 0.00 O ATOM 290 CB CYS A 18 2.311 -24.920 -9.630 1.00 0.00 C ATOM 291 SG CYS A 18 3.733 -24.477 -8.604 1.00 0.00 S ATOM 0 H CYS A 18 3.792 -26.095 -11.593 1.00 0.00 H new ATOM 0 HA CYS A 18 2.392 -27.002 -9.092 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.292 -24.307 -10.531 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.383 -24.725 -9.092 1.00 0.00 H new ATOM 296 N PRO A 19 0.083 -27.105 -10.245 1.00 0.00 N ATOM 297 CA PRO A 19 -1.140 -27.497 -10.952 1.00 0.00 C ATOM 298 C PRO A 19 -1.790 -26.309 -11.664 1.00 0.00 C ATOM 299 O PRO A 19 -1.459 -25.166 -11.414 1.00 0.00 O ATOM 300 CB PRO A 19 -2.053 -27.999 -9.836 1.00 0.00 C ATOM 301 CG PRO A 19 -1.569 -27.303 -8.607 1.00 0.00 C ATOM 302 CD PRO A 19 -0.090 -27.105 -8.784 1.00 0.00 C ATOM 0 HA PRO A 19 -0.945 -28.238 -11.727 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.097 -27.760 -10.041 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.989 -29.082 -9.729 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.076 -26.347 -8.478 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.777 -27.897 -7.717 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.246 -26.168 -8.340 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.481 -27.904 -8.312 1.00 0.00 H new ATOM 310 N LYS A 20 -2.712 -26.569 -12.546 1.00 0.00 N ATOM 311 CA LYS A 20 -3.383 -25.455 -13.271 1.00 0.00 C ATOM 312 C LYS A 20 -4.569 -24.954 -12.444 1.00 0.00 C ATOM 313 O LYS A 20 -5.179 -23.952 -12.762 1.00 0.00 O ATOM 314 CB LYS A 20 -3.879 -25.954 -14.630 1.00 0.00 C ATOM 315 CG LYS A 20 -2.680 -26.372 -15.485 1.00 0.00 C ATOM 316 CD LYS A 20 -3.160 -26.746 -16.890 1.00 0.00 C ATOM 317 CE LYS A 20 -1.968 -27.214 -17.726 1.00 0.00 C ATOM 318 NZ LYS A 20 -1.360 -28.418 -17.094 1.00 0.00 N ATOM 0 H LYS A 20 -3.031 -27.505 -12.797 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.675 -24.640 -13.423 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.556 -26.798 -14.495 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.444 -25.170 -15.134 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.958 -25.557 -15.541 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.170 -27.219 -15.026 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.910 -27.535 -16.832 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.636 -25.888 -17.364 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.291 -27.447 -18.741 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.228 -26.417 -17.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.835 -28.958 -17.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.710 -28.122 -16.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.110 -29.015 -16.691 1.00 0.00 H new ATOM 332 N ASP A 21 -4.897 -25.640 -11.383 1.00 0.00 N ATOM 333 CA ASP A 21 -6.039 -25.196 -10.536 1.00 0.00 C ATOM 334 C ASP A 21 -5.629 -23.953 -9.746 1.00 0.00 C ATOM 335 O ASP A 21 -4.604 -23.931 -9.094 1.00 0.00 O ATOM 336 CB ASP A 21 -6.420 -26.316 -9.566 1.00 0.00 C ATOM 337 CG ASP A 21 -7.710 -25.938 -8.834 1.00 0.00 C ATOM 338 OD1 ASP A 21 -8.269 -24.904 -9.157 1.00 0.00 O ATOM 339 OD2 ASP A 21 -8.117 -26.691 -7.965 1.00 0.00 O ATOM 0 H ASP A 21 -4.424 -26.487 -11.067 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.894 -24.960 -11.169 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.558 -27.251 -10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.616 -26.480 -8.848 1.00 0.00 H new ATOM 344 N LEU A 22 -6.419 -22.917 -9.802 1.00 0.00 N ATOM 345 CA LEU A 22 -6.069 -21.675 -9.057 1.00 0.00 C ATOM 346 C LEU A 22 -6.714 -21.713 -7.669 1.00 0.00 C ATOM 347 O LEU A 22 -7.910 -21.872 -7.534 1.00 0.00 O ATOM 348 CB LEU A 22 -6.586 -20.458 -9.829 1.00 0.00 C ATOM 349 CG LEU A 22 -6.012 -19.176 -9.223 1.00 0.00 C ATOM 350 CD1 LEU A 22 -6.671 -18.910 -7.868 1.00 0.00 C ATOM 351 CD2 LEU A 22 -4.501 -19.329 -9.034 1.00 0.00 C ATOM 0 H LEU A 22 -7.290 -22.876 -10.330 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.986 -21.606 -8.951 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.301 -20.534 -10.878 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.675 -20.431 -9.795 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.210 -18.340 -9.894 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.261 -17.996 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.747 -18.797 -8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.475 -19.747 -7.198 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.094 -18.415 -8.602 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.301 -20.166 -8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.031 -19.515 -9.999 1.00 0.00 H new ATOM 363 N LYS A 23 -5.927 -21.567 -6.637 1.00 0.00 N ATOM 364 CA LYS A 23 -6.494 -21.592 -5.259 1.00 0.00 C ATOM 365 C LYS A 23 -5.711 -20.621 -4.372 1.00 0.00 C ATOM 366 O LYS A 23 -4.609 -20.905 -3.950 1.00 0.00 O ATOM 367 CB LYS A 23 -6.385 -23.008 -4.686 1.00 0.00 C ATOM 368 CG LYS A 23 -7.505 -23.880 -5.260 1.00 0.00 C ATOM 369 CD LYS A 23 -8.756 -23.740 -4.391 1.00 0.00 C ATOM 370 CE LYS A 23 -8.630 -24.648 -3.166 1.00 0.00 C ATOM 371 NZ LYS A 23 -8.714 -26.073 -3.594 1.00 0.00 N ATOM 0 H LYS A 23 -4.917 -21.432 -6.689 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.542 -21.294 -5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.414 -23.437 -4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.454 -22.978 -3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.725 -23.580 -6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.188 -24.922 -5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.880 -22.703 -4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.643 -24.007 -4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.682 -24.464 -2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.422 -24.424 -2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.113 -26.644 -2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.325 -26.148 -4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.762 -26.422 -3.826 1.00 0.00 H new ATOM 385 N PRO A 24 -6.303 -19.450 -4.089 1.00 0.00 N ATOM 386 CA PRO A 24 -5.674 -18.413 -3.254 1.00 0.00 C ATOM 387 C PRO A 24 -5.483 -18.870 -1.807 1.00 0.00 C ATOM 388 O PRO A 24 -6.419 -19.266 -1.144 1.00 0.00 O ATOM 389 CB PRO A 24 -6.675 -17.258 -3.310 1.00 0.00 C ATOM 390 CG PRO A 24 -7.976 -17.912 -3.626 1.00 0.00 C ATOM 391 CD PRO A 24 -7.638 -19.042 -4.556 1.00 0.00 C ATOM 0 HA PRO A 24 -4.677 -18.155 -3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.719 -16.723 -2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.400 -16.530 -4.073 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.461 -18.279 -2.722 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.665 -17.210 -4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.359 -19.856 -4.485 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.623 -18.720 -5.597 1.00 0.00 H new ATOM 399 N VAL A 25 -4.276 -18.818 -1.314 1.00 0.00 N ATOM 400 CA VAL A 25 -4.030 -19.247 0.094 1.00 0.00 C ATOM 401 C VAL A 25 -3.438 -18.087 0.897 1.00 0.00 C ATOM 402 O VAL A 25 -2.833 -17.184 0.352 1.00 0.00 O ATOM 403 CB VAL A 25 -3.046 -20.419 0.111 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.574 -21.546 -0.775 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.689 -19.948 -0.416 1.00 0.00 C ATOM 0 H VAL A 25 -3.451 -18.498 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.976 -19.553 0.540 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.935 -20.785 1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.871 -22.379 -0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.541 -21.881 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.687 -21.183 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.986 -20.781 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.802 -19.582 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.311 -19.146 0.218 1.00 0.00 H new ATOM 415 N CYS A 26 -3.600 -18.112 2.193 1.00 0.00 N ATOM 416 CA CYS A 26 -3.041 -17.019 3.040 1.00 0.00 C ATOM 417 C CYS A 26 -1.749 -17.506 3.701 1.00 0.00 C ATOM 418 O CYS A 26 -1.761 -18.415 4.504 1.00 0.00 O ATOM 419 CB CYS A 26 -4.056 -16.641 4.126 1.00 0.00 C ATOM 420 SG CYS A 26 -3.266 -15.568 5.353 1.00 0.00 S ATOM 0 H CYS A 26 -4.096 -18.843 2.702 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.832 -16.147 2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.909 -16.131 3.678 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.439 -17.540 4.608 1.00 0.00 H new ATOM 425 N GLY A 27 -0.636 -16.910 3.374 1.00 0.00 N ATOM 426 CA GLY A 27 0.650 -17.345 3.989 1.00 0.00 C ATOM 427 C GLY A 27 0.690 -16.910 5.455 1.00 0.00 C ATOM 428 O GLY A 27 0.280 -15.818 5.800 1.00 0.00 O ATOM 0 H GLY A 27 -0.561 -16.141 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.751 -18.428 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.490 -16.910 3.447 1.00 0.00 H new ATOM 432 N ASP A 28 1.183 -17.753 6.321 1.00 0.00 N ATOM 433 CA ASP A 28 1.250 -17.385 7.764 1.00 0.00 C ATOM 434 C ASP A 28 2.294 -16.286 7.962 1.00 0.00 C ATOM 435 O ASP A 28 2.399 -15.699 9.021 1.00 0.00 O ATOM 436 CB ASP A 28 1.637 -18.614 8.589 1.00 0.00 C ATOM 437 CG ASP A 28 3.014 -19.113 8.149 1.00 0.00 C ATOM 438 OD1 ASP A 28 3.672 -18.400 7.408 1.00 0.00 O ATOM 439 OD2 ASP A 28 3.388 -20.198 8.560 1.00 0.00 O ATOM 0 H ASP A 28 1.542 -18.680 6.092 1.00 0.00 H new ATOM 0 HA ASP A 28 0.275 -17.023 8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.652 -18.363 9.650 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.895 -19.401 8.458 1.00 0.00 H new ATOM 444 N ASP A 29 3.066 -15.998 6.951 1.00 0.00 N ATOM 445 CA ASP A 29 4.097 -14.932 7.086 1.00 0.00 C ATOM 446 C ASP A 29 3.447 -13.567 6.852 1.00 0.00 C ATOM 447 O ASP A 29 4.117 -12.557 6.763 1.00 0.00 O ATOM 448 CB ASP A 29 5.204 -15.156 6.053 1.00 0.00 C ATOM 449 CG ASP A 29 6.020 -16.391 6.440 1.00 0.00 C ATOM 450 OD1 ASP A 29 5.805 -16.902 7.527 1.00 0.00 O ATOM 451 OD2 ASP A 29 6.845 -16.805 5.643 1.00 0.00 O ATOM 0 H ASP A 29 3.028 -16.454 6.039 1.00 0.00 H new ATOM 0 HA ASP A 29 4.526 -14.965 8.087 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.770 -15.290 5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.851 -14.280 6.002 1.00 0.00 H new ATOM 456 N GLY A 30 2.146 -13.527 6.748 1.00 0.00 N ATOM 457 CA GLY A 30 1.456 -12.228 6.517 1.00 0.00 C ATOM 458 C GLY A 30 1.381 -11.959 5.015 1.00 0.00 C ATOM 459 O GLY A 30 1.101 -10.859 4.582 1.00 0.00 O ATOM 0 H GLY A 30 1.532 -14.339 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.454 -12.254 6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.995 -11.423 7.016 1.00 0.00 H new ATOM 463 N GLN A 31 1.631 -12.959 4.215 1.00 0.00 N ATOM 464 CA GLN A 31 1.577 -12.766 2.740 1.00 0.00 C ATOM 465 C GLN A 31 0.536 -13.712 2.140 1.00 0.00 C ATOM 466 O GLN A 31 0.165 -14.702 2.738 1.00 0.00 O ATOM 467 CB GLN A 31 2.947 -13.071 2.135 1.00 0.00 C ATOM 468 CG GLN A 31 3.962 -12.033 2.621 1.00 0.00 C ATOM 469 CD GLN A 31 5.359 -12.419 2.132 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.560 -13.505 1.626 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.341 -11.569 2.263 1.00 0.00 N ATOM 0 H GLN A 31 1.871 -13.902 4.520 1.00 0.00 H new ATOM 0 HA GLN A 31 1.303 -11.734 2.519 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.269 -14.072 2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.887 -13.055 1.047 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.695 -11.044 2.248 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.948 -11.977 3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.173 -10.657 2.688 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.276 -11.817 1.941 1.00 0.00 H new ATOM 480 N THR A 32 0.065 -13.415 0.961 1.00 0.00 N ATOM 481 CA THR A 32 -0.949 -14.298 0.320 1.00 0.00 C ATOM 482 C THR A 32 -0.387 -14.842 -0.992 1.00 0.00 C ATOM 483 O THR A 32 0.183 -14.116 -1.782 1.00 0.00 O ATOM 484 CB THR A 32 -2.220 -13.493 0.037 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.654 -12.858 1.231 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.314 -14.431 -0.474 1.00 0.00 C ATOM 0 H THR A 32 0.338 -12.599 0.414 1.00 0.00 H new ATOM 0 HA THR A 32 -1.186 -15.127 0.987 1.00 0.00 H new ATOM 0 HB THR A 32 -2.011 -12.736 -0.719 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.366 -12.219 1.021 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.219 -13.858 -0.676 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.979 -14.915 -1.391 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.525 -15.189 0.280 1.00 0.00 H new ATOM 494 N TYR A 33 -0.546 -16.114 -1.235 1.00 0.00 N ATOM 495 CA TYR A 33 -0.022 -16.699 -2.500 1.00 0.00 C ATOM 496 C TYR A 33 -1.196 -17.149 -3.367 1.00 0.00 C ATOM 497 O TYR A 33 -2.032 -17.923 -2.945 1.00 0.00 O ATOM 498 CB TYR A 33 0.873 -17.896 -2.178 1.00 0.00 C ATOM 499 CG TYR A 33 1.996 -17.452 -1.272 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.767 -17.288 0.099 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.267 -17.199 -1.804 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.808 -16.873 0.939 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.308 -16.784 -0.963 1.00 0.00 C ATOM 504 CZ TYR A 33 4.078 -16.622 0.408 1.00 0.00 C ATOM 505 OH TYR A 33 5.104 -16.212 1.235 1.00 0.00 O ATOM 0 H TYR A 33 -1.015 -16.772 -0.613 1.00 0.00 H new ATOM 0 HA TYR A 33 0.562 -15.952 -3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.290 -18.681 -1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.278 -18.319 -3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.787 -17.482 0.509 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.444 -17.324 -2.862 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.630 -16.747 1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.288 -16.589 -1.373 1.00 0.00 H new ATOM 0 HH TYR A 33 5.130 -15.233 1.264 1.00 0.00 H new ATOM 515 N ASN A 34 -1.274 -16.661 -4.572 1.00 0.00 N ATOM 516 CA ASN A 34 -2.401 -17.053 -5.461 1.00 0.00 C ATOM 517 C ASN A 34 -2.548 -18.577 -5.471 1.00 0.00 C ATOM 518 O ASN A 34 -3.375 -19.132 -4.782 1.00 0.00 O ATOM 519 CB ASN A 34 -2.135 -16.541 -6.880 1.00 0.00 C ATOM 520 CG ASN A 34 -3.372 -16.782 -7.746 1.00 0.00 C ATOM 521 OD1 ASN A 34 -4.318 -17.411 -7.313 1.00 0.00 O ATOM 522 ND2 ASN A 34 -3.406 -16.304 -8.959 1.00 0.00 N ATOM 0 H ASN A 34 -0.606 -16.007 -4.980 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.326 -16.612 -5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.895 -15.478 -6.856 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.273 -17.053 -7.308 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.227 -16.458 -9.545 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.612 -15.776 -9.322 1.00 0.00 H new ATOM 529 N ASN A 35 -1.759 -19.260 -6.247 1.00 0.00 N ATOM 530 CA ASN A 35 -1.870 -20.745 -6.294 1.00 0.00 C ATOM 531 C ASN A 35 -1.128 -21.357 -5.101 1.00 0.00 C ATOM 532 O ASN A 35 -0.140 -20.824 -4.637 1.00 0.00 O ATOM 533 CB ASN A 35 -1.259 -21.244 -7.609 1.00 0.00 C ATOM 534 CG ASN A 35 -1.102 -22.764 -7.580 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.530 -23.310 -6.660 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.590 -23.476 -8.558 1.00 0.00 N ATOM 0 H ASN A 35 -1.042 -18.857 -6.851 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.917 -21.043 -6.242 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.894 -20.953 -8.446 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.288 -20.775 -7.768 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.491 -24.491 -8.549 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.071 -23.018 -9.332 1.00 0.00 H new ATOM 543 N PRO A 36 -1.619 -22.501 -4.596 1.00 0.00 N ATOM 544 CA PRO A 36 -1.006 -23.197 -3.454 1.00 0.00 C ATOM 545 C PRO A 36 0.421 -23.656 -3.763 1.00 0.00 C ATOM 546 O PRO A 36 1.348 -23.343 -3.041 1.00 0.00 O ATOM 547 CB PRO A 36 -1.928 -24.398 -3.231 1.00 0.00 C ATOM 548 CG PRO A 36 -2.581 -24.603 -4.553 1.00 0.00 C ATOM 549 CD PRO A 36 -2.805 -23.219 -5.091 1.00 0.00 C ATOM 0 HA PRO A 36 -0.915 -22.554 -2.579 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.367 -25.280 -2.922 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.662 -24.198 -2.450 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.948 -25.189 -5.220 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.522 -25.144 -4.450 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.863 -23.209 -6.179 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.731 -22.782 -4.719 1.00 0.00 H new ATOM 557 N CYS A 37 0.619 -24.374 -4.836 1.00 0.00 N ATOM 558 CA CYS A 37 1.999 -24.810 -5.171 1.00 0.00 C ATOM 559 C CYS A 37 2.852 -23.560 -5.380 1.00 0.00 C ATOM 560 O CYS A 37 4.045 -23.558 -5.147 1.00 0.00 O ATOM 561 CB CYS A 37 1.982 -25.652 -6.451 1.00 0.00 C ATOM 562 SG CYS A 37 3.665 -25.817 -7.097 1.00 0.00 S ATOM 0 H CYS A 37 -0.108 -24.673 -5.486 1.00 0.00 H new ATOM 0 HA CYS A 37 2.411 -25.417 -4.365 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.564 -26.637 -6.244 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.340 -25.184 -7.197 1.00 0.00 H new ATOM 567 N MET A 38 2.238 -22.487 -5.804 1.00 0.00 N ATOM 568 CA MET A 38 2.999 -21.227 -6.013 1.00 0.00 C ATOM 569 C MET A 38 3.539 -20.760 -4.663 1.00 0.00 C ATOM 570 O MET A 38 4.489 -20.007 -4.585 1.00 0.00 O ATOM 571 CB MET A 38 2.067 -20.159 -6.594 1.00 0.00 C ATOM 572 CG MET A 38 2.170 -20.168 -8.120 1.00 0.00 C ATOM 573 SD MET A 38 1.154 -18.834 -8.800 1.00 0.00 S ATOM 574 CE MET A 38 2.432 -17.555 -8.806 1.00 0.00 C ATOM 0 H MET A 38 1.241 -22.432 -6.014 1.00 0.00 H new ATOM 0 HA MET A 38 3.823 -21.394 -6.707 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.039 -20.352 -6.287 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.336 -19.176 -6.206 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.208 -20.041 -8.426 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.837 -21.129 -8.512 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.015 -16.626 -9.196 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.790 -17.393 -7.789 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.262 -17.873 -9.436 1.00 0.00 H new ATOM 584 N LEU A 39 2.942 -21.220 -3.597 1.00 0.00 N ATOM 585 CA LEU A 39 3.416 -20.829 -2.244 1.00 0.00 C ATOM 586 C LEU A 39 4.797 -21.436 -2.022 1.00 0.00 C ATOM 587 O LEU A 39 5.753 -20.745 -1.729 1.00 0.00 O ATOM 588 CB LEU A 39 2.438 -21.362 -1.194 1.00 0.00 C ATOM 589 CG LEU A 39 3.042 -21.205 0.201 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.131 -19.720 0.554 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.155 -21.919 1.225 1.00 0.00 C ATOM 0 H LEU A 39 2.142 -21.853 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 39 3.472 -19.744 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.494 -20.821 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.217 -22.411 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 39 4.040 -21.643 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.562 -19.608 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.762 -19.210 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.133 -19.282 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.586 -21.807 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.157 -21.481 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.090 -22.978 0.975 1.00 0.00 H new ATOM 603 N CYS A 40 4.914 -22.724 -2.184 1.00 0.00 N ATOM 604 CA CYS A 40 6.238 -23.374 -2.007 1.00 0.00 C ATOM 605 C CYS A 40 7.223 -22.736 -2.986 1.00 0.00 C ATOM 606 O CYS A 40 8.403 -22.631 -2.720 1.00 0.00 O ATOM 607 CB CYS A 40 6.112 -24.866 -2.300 1.00 0.00 C ATOM 608 SG CYS A 40 7.656 -25.686 -1.864 1.00 0.00 S ATOM 0 H CYS A 40 4.150 -23.353 -2.431 1.00 0.00 H new ATOM 0 HA CYS A 40 6.592 -23.242 -0.985 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.286 -25.292 -1.731 1.00 0.00 H new ATOM 0 HB3 CYS A 40 5.887 -25.024 -3.355 1.00 0.00 H new ATOM 613 N HIS A 41 6.737 -22.298 -4.117 1.00 0.00 N ATOM 614 CA HIS A 41 7.632 -21.651 -5.115 1.00 0.00 C ATOM 615 C HIS A 41 8.146 -20.334 -4.538 1.00 0.00 C ATOM 616 O HIS A 41 9.334 -20.133 -4.386 1.00 0.00 O ATOM 617 CB HIS A 41 6.848 -21.372 -6.397 1.00 0.00 C ATOM 618 CG HIS A 41 7.808 -21.158 -7.536 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.717 -22.128 -7.929 1.00 0.00 N ATOM 620 CD2 HIS A 41 8.013 -20.091 -8.376 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.421 -21.629 -8.962 1.00 0.00 C ATOM 622 NE2 HIS A 41 9.032 -20.391 -9.275 1.00 0.00 N ATOM 0 H HIS A 41 5.757 -22.361 -4.391 1.00 0.00 H new ATOM 0 HA HIS A 41 8.471 -22.309 -5.341 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.184 -22.208 -6.619 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.219 -20.491 -6.267 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.466 -19.160 -8.344 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.205 -22.165 -9.475 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.402 -19.793 -10.014 1.00 0.00 H new ATOM 630 N GLU A 42 7.258 -19.437 -4.202 1.00 0.00 N ATOM 631 CA GLU A 42 7.702 -18.143 -3.620 1.00 0.00 C ATOM 632 C GLU A 42 8.489 -18.432 -2.343 1.00 0.00 C ATOM 633 O GLU A 42 9.238 -17.606 -1.858 1.00 0.00 O ATOM 634 CB GLU A 42 6.480 -17.283 -3.289 1.00 0.00 C ATOM 635 CG GLU A 42 5.765 -16.888 -4.582 1.00 0.00 C ATOM 636 CD GLU A 42 4.749 -15.783 -4.285 1.00 0.00 C ATOM 637 OE1 GLU A 42 4.771 -15.268 -3.179 1.00 0.00 O ATOM 638 OE2 GLU A 42 3.968 -15.470 -5.168 1.00 0.00 O ATOM 0 H GLU A 42 6.249 -19.546 -4.306 1.00 0.00 H new ATOM 0 HA GLU A 42 8.329 -17.607 -4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.800 -17.834 -2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.788 -16.390 -2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.489 -16.542 -5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.261 -17.754 -5.011 1.00 0.00 H new ATOM 645 N ASN A 43 8.325 -19.608 -1.801 1.00 0.00 N ATOM 646 CA ASN A 43 9.061 -19.966 -0.558 1.00 0.00 C ATOM 647 C ASN A 43 10.508 -20.305 -0.912 1.00 0.00 C ATOM 648 O ASN A 43 11.428 -19.977 -0.190 1.00 0.00 O ATOM 649 CB ASN A 43 8.398 -21.179 0.097 1.00 0.00 C ATOM 650 CG ASN A 43 7.095 -20.745 0.771 1.00 0.00 C ATOM 651 OD1 ASN A 43 6.899 -19.579 1.047 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.188 -21.644 1.045 1.00 0.00 N ATOM 0 H ASN A 43 7.712 -20.336 -2.167 1.00 0.00 H new ATOM 0 HA ASN A 43 9.040 -19.125 0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.195 -21.945 -0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.070 -21.622 0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.314 -21.367 1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.354 -22.623 0.813 1.00 0.00 H new ATOM 659 N LEU A 44 10.720 -20.958 -2.022 1.00 0.00 N ATOM 660 CA LEU A 44 12.111 -21.310 -2.422 1.00 0.00 C ATOM 661 C LEU A 44 12.943 -20.030 -2.488 1.00 0.00 C ATOM 662 O LEU A 44 14.119 -20.023 -2.182 1.00 0.00 O ATOM 663 CB LEU A 44 12.094 -21.984 -3.795 1.00 0.00 C ATOM 664 CG LEU A 44 12.009 -23.500 -3.617 1.00 0.00 C ATOM 665 CD1 LEU A 44 10.567 -23.896 -3.292 1.00 0.00 C ATOM 666 CD2 LEU A 44 12.448 -24.190 -4.909 1.00 0.00 C ATOM 0 H LEU A 44 9.991 -21.262 -2.668 1.00 0.00 H new ATOM 0 HA LEU A 44 12.545 -21.996 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.244 -21.627 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.994 -21.722 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 44 12.663 -23.807 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.506 -24.977 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.253 -23.404 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.913 -23.589 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.388 -25.271 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.795 -23.883 -5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.475 -23.909 -5.141 1.00 0.00 H new ATOM 678 N ILE A 45 12.337 -18.944 -2.884 1.00 0.00 N ATOM 679 CA ILE A 45 13.083 -17.657 -2.967 1.00 0.00 C ATOM 680 C ILE A 45 13.210 -17.056 -1.567 1.00 0.00 C ATOM 681 O ILE A 45 14.277 -16.655 -1.147 1.00 0.00 O ATOM 682 CB ILE A 45 12.323 -16.684 -3.869 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.765 -17.437 -5.078 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.272 -15.583 -4.344 1.00 0.00 C ATOM 685 CD1 ILE A 45 11.141 -16.439 -6.056 1.00 0.00 C ATOM 0 H ILE A 45 11.355 -18.893 -3.154 1.00 0.00 H new ATOM 0 HA ILE A 45 14.075 -17.837 -3.381 1.00 0.00 H new ATOM 0 HB ILE A 45 11.500 -16.237 -3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.560 -17.996 -5.570 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.018 -18.162 -4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.731 -14.889 -4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.667 -15.046 -3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.095 -16.028 -4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.743 -16.975 -6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.334 -15.899 -5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.901 -15.731 -6.388 1.00 0.00 H new ATOM 697 N ARG A 46 12.127 -16.992 -0.842 1.00 0.00 N ATOM 698 CA ARG A 46 12.184 -16.417 0.532 1.00 0.00 C ATOM 699 C ARG A 46 13.044 -17.316 1.424 1.00 0.00 C ATOM 700 O ARG A 46 13.807 -16.848 2.245 1.00 0.00 O ATOM 701 CB ARG A 46 10.769 -16.329 1.108 1.00 0.00 C ATOM 702 CG ARG A 46 10.815 -15.623 2.465 1.00 0.00 C ATOM 703 CD ARG A 46 10.987 -14.117 2.251 1.00 0.00 C ATOM 704 NE ARG A 46 11.077 -13.435 3.574 1.00 0.00 N ATOM 705 CZ ARG A 46 12.194 -12.870 3.943 1.00 0.00 C ATOM 706 NH1 ARG A 46 13.334 -13.447 3.683 1.00 0.00 N ATOM 707 NH2 ARG A 46 12.168 -11.726 4.572 1.00 0.00 N ATOM 0 H ARG A 46 11.206 -17.313 -1.141 1.00 0.00 H new ATOM 0 HA ARG A 46 12.621 -15.419 0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.119 -15.783 0.424 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.347 -17.328 1.220 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.898 -15.820 3.021 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.639 -16.013 3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.887 -13.922 1.667 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.146 -13.721 1.682 1.00 0.00 H new ATOM 0 HE ARG A 46 10.265 -13.410 4.191 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.353 -14.340 3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.207 -13.005 3.972 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.276 -11.275 4.774 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.040 -11.283 4.861 1.00 0.00 H new ATOM 721 N GLN A 47 12.925 -18.603 1.264 1.00 0.00 N ATOM 722 CA GLN A 47 13.732 -19.539 2.096 1.00 0.00 C ATOM 723 C GLN A 47 13.356 -19.369 3.569 1.00 0.00 C ATOM 724 O GLN A 47 14.203 -19.362 4.440 1.00 0.00 O ATOM 725 CB GLN A 47 15.219 -19.234 1.910 1.00 0.00 C ATOM 726 CG GLN A 47 15.592 -19.405 0.436 1.00 0.00 C ATOM 727 CD GLN A 47 17.085 -19.131 0.252 1.00 0.00 C ATOM 728 OE1 GLN A 47 17.727 -18.587 1.129 1.00 0.00 O ATOM 729 NE2 GLN A 47 17.669 -19.489 -0.859 1.00 0.00 N ATOM 0 H GLN A 47 12.302 -19.049 0.591 1.00 0.00 H new ATOM 0 HA GLN A 47 13.530 -20.565 1.787 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.437 -18.217 2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 47 15.819 -19.902 2.528 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.353 -20.416 0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.007 -18.721 -0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.130 -19.946 -1.595 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.665 -19.312 -0.992 1.00 0.00 H new ATOM 738 N THR A 48 12.090 -19.233 3.854 1.00 0.00 N ATOM 739 CA THR A 48 11.660 -19.065 5.271 1.00 0.00 C ATOM 740 C THR A 48 10.680 -20.180 5.643 1.00 0.00 C ATOM 741 O THR A 48 10.049 -20.144 6.681 1.00 0.00 O ATOM 742 CB THR A 48 10.974 -17.707 5.440 1.00 0.00 C ATOM 743 OG1 THR A 48 9.972 -17.557 4.444 1.00 0.00 O ATOM 744 CG2 THR A 48 12.009 -16.590 5.298 1.00 0.00 C ATOM 0 H THR A 48 11.335 -19.231 3.168 1.00 0.00 H new ATOM 0 HA THR A 48 12.532 -19.115 5.922 1.00 0.00 H new ATOM 0 HB THR A 48 10.516 -17.651 6.427 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.322 -16.882 4.732 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.520 -15.623 5.418 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.777 -16.706 6.063 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.469 -16.643 4.311 1.00 0.00 H new ATOM 752 N ASN A 49 10.547 -21.171 4.805 1.00 0.00 N ATOM 753 CA ASN A 49 9.608 -22.285 5.115 1.00 0.00 C ATOM 754 C ASN A 49 8.236 -21.708 5.469 1.00 0.00 C ATOM 755 O ASN A 49 7.736 -21.898 6.561 1.00 0.00 O ATOM 756 CB ASN A 49 10.144 -23.088 6.300 1.00 0.00 C ATOM 757 CG ASN A 49 11.518 -23.664 5.950 1.00 0.00 C ATOM 758 OD1 ASN A 49 11.911 -23.669 4.799 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.270 -24.151 6.898 1.00 0.00 N ATOM 0 H ASN A 49 11.047 -21.257 3.920 1.00 0.00 H new ATOM 0 HA ASN A 49 9.516 -22.937 4.246 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.219 -22.450 7.180 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.453 -23.894 6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.188 -24.536 6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.940 -24.147 7.863 1.00 0.00 H new ATOM 766 N THR A 50 7.624 -21.002 4.557 1.00 0.00 N ATOM 767 CA THR A 50 6.287 -20.411 4.845 1.00 0.00 C ATOM 768 C THR A 50 5.213 -21.496 4.744 1.00 0.00 C ATOM 769 O THR A 50 5.260 -22.353 3.885 1.00 0.00 O ATOM 770 CB THR A 50 5.984 -19.309 3.828 1.00 0.00 C ATOM 771 OG1 THR A 50 7.073 -18.397 3.784 1.00 0.00 O ATOM 772 CG2 THR A 50 4.709 -18.567 4.236 1.00 0.00 C ATOM 0 H THR A 50 7.992 -20.809 3.626 1.00 0.00 H new ATOM 0 HA THR A 50 6.290 -19.991 5.851 1.00 0.00 H new ATOM 0 HB THR A 50 5.840 -19.753 2.843 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.211 -18.010 4.674 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.496 -17.783 3.510 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.875 -19.268 4.268 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.847 -18.121 5.221 1.00 0.00 H new ATOM 780 N HIS A 51 4.241 -21.458 5.611 1.00 0.00 N ATOM 781 CA HIS A 51 3.157 -22.478 5.563 1.00 0.00 C ATOM 782 C HIS A 51 1.837 -21.786 5.227 1.00 0.00 C ATOM 783 O HIS A 51 1.756 -20.574 5.187 1.00 0.00 O ATOM 784 CB HIS A 51 3.038 -23.167 6.923 1.00 0.00 C ATOM 785 CG HIS A 51 4.411 -23.435 7.474 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.144 -24.557 7.121 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.199 -22.734 8.354 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.316 -24.500 7.779 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.401 -23.409 8.546 1.00 0.00 N ATOM 0 H HIS A 51 4.150 -20.763 6.352 1.00 0.00 H new ATOM 0 HA HIS A 51 3.389 -23.223 4.802 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.475 -22.538 7.613 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.487 -24.102 6.821 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.927 -21.801 8.825 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.093 -25.245 7.697 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.179 -23.131 9.144 1.00 0.00 H new ATOM 797 N ILE A 52 0.801 -22.539 4.987 1.00 0.00 N ATOM 798 CA ILE A 52 -0.506 -21.909 4.657 1.00 0.00 C ATOM 799 C ILE A 52 -1.220 -21.509 5.948 1.00 0.00 C ATOM 800 O ILE A 52 -1.442 -22.318 6.828 1.00 0.00 O ATOM 801 CB ILE A 52 -1.374 -22.895 3.879 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.710 -23.210 2.537 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.748 -22.269 3.636 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.633 -24.106 1.710 1.00 0.00 C ATOM 0 H ILE A 52 0.802 -23.559 5.005 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.333 -21.023 4.046 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.487 -23.816 4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.502 -22.287 1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.246 -23.707 2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.373 -22.968 3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.219 -22.042 4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.633 -21.350 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.161 -24.331 0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.819 -25.034 2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.578 -23.592 1.536 1.00 0.00 H new ATOM 816 N ARG A 53 -1.583 -20.265 6.063 1.00 0.00 N ATOM 817 CA ARG A 53 -2.286 -19.792 7.289 1.00 0.00 C ATOM 818 C ARG A 53 -3.770 -20.124 7.179 1.00 0.00 C ATOM 819 O ARG A 53 -4.351 -20.741 8.050 1.00 0.00 O ATOM 820 CB ARG A 53 -2.121 -18.277 7.411 1.00 0.00 C ATOM 821 CG ARG A 53 -2.691 -17.802 8.748 1.00 0.00 C ATOM 822 CD ARG A 53 -1.766 -18.239 9.886 1.00 0.00 C ATOM 823 NE ARG A 53 -2.339 -17.793 11.188 1.00 0.00 N ATOM 824 CZ ARG A 53 -1.666 -17.969 12.292 1.00 0.00 C ATOM 825 NH1 ARG A 53 -1.262 -19.165 12.626 1.00 0.00 N ATOM 826 NH2 ARG A 53 -1.400 -16.952 13.064 1.00 0.00 N ATOM 0 H ARG A 53 -1.422 -19.548 5.355 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.863 -20.282 8.166 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.067 -18.009 7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.634 -17.778 6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.794 -16.717 8.746 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.688 -18.216 8.897 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.650 -19.323 9.879 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.773 -17.811 9.747 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.257 -17.350 11.216 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.473 -19.961 12.024 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.736 -19.303 13.489 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.718 -16.018 12.805 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.874 -17.091 13.927 1.00 0.00 H new ATOM 840 N SER A 54 -4.385 -19.711 6.111 1.00 0.00 N ATOM 841 CA SER A 54 -5.834 -19.987 5.925 1.00 0.00 C ATOM 842 C SER A 54 -6.124 -20.153 4.433 1.00 0.00 C ATOM 843 O SER A 54 -5.416 -19.634 3.593 1.00 0.00 O ATOM 844 CB SER A 54 -6.646 -18.814 6.476 1.00 0.00 C ATOM 845 OG SER A 54 -6.547 -17.710 5.587 1.00 0.00 O ATOM 0 H SER A 54 -3.944 -19.190 5.353 1.00 0.00 H new ATOM 0 HA SER A 54 -6.108 -20.899 6.455 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.689 -19.105 6.597 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.277 -18.534 7.463 1.00 0.00 H new ATOM 0 HG SER A 54 -7.069 -16.959 5.939 1.00 0.00 H new ATOM 851 N THR A 55 -7.157 -20.870 4.093 1.00 0.00 N ATOM 852 CA THR A 55 -7.481 -21.061 2.653 1.00 0.00 C ATOM 853 C THR A 55 -8.052 -19.762 2.087 1.00 0.00 C ATOM 854 O THR A 55 -8.712 -19.008 2.775 1.00 0.00 O ATOM 855 CB THR A 55 -8.509 -22.185 2.502 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.781 -21.721 2.931 1.00 0.00 O ATOM 857 CG2 THR A 55 -8.086 -23.384 3.352 1.00 0.00 C ATOM 0 H THR A 55 -7.789 -21.331 4.747 1.00 0.00 H new ATOM 0 HA THR A 55 -6.576 -21.328 2.108 1.00 0.00 H new ATOM 0 HB THR A 55 -8.567 -22.488 1.456 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.441 -22.439 2.833 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.819 -24.184 3.244 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.110 -23.739 3.021 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.027 -23.085 4.399 1.00 0.00 H new ATOM 865 N GLY A 56 -7.801 -19.492 0.837 1.00 0.00 N ATOM 866 CA GLY A 56 -8.323 -18.239 0.222 1.00 0.00 C ATOM 867 C GLY A 56 -7.321 -17.109 0.449 1.00 0.00 C ATOM 868 O GLY A 56 -6.425 -17.210 1.263 1.00 0.00 O ATOM 0 H GLY A 56 -7.256 -20.086 0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.487 -18.386 -0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.287 -17.979 0.660 1.00 0.00 H new ATOM 872 N LYS A 57 -7.470 -16.032 -0.266 1.00 0.00 N ATOM 873 CA LYS A 57 -6.531 -14.887 -0.098 1.00 0.00 C ATOM 874 C LYS A 57 -6.721 -14.277 1.292 1.00 0.00 C ATOM 875 O LYS A 57 -7.815 -14.240 1.819 1.00 0.00 O ATOM 876 CB LYS A 57 -6.819 -13.826 -1.164 1.00 0.00 C ATOM 877 CG LYS A 57 -6.606 -14.428 -2.554 1.00 0.00 C ATOM 878 CD LYS A 57 -6.546 -13.305 -3.592 1.00 0.00 C ATOM 879 CE LYS A 57 -6.459 -13.912 -4.994 1.00 0.00 C ATOM 880 NZ LYS A 57 -5.028 -14.061 -5.383 1.00 0.00 N ATOM 0 H LYS A 57 -8.203 -15.893 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.505 -15.239 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.843 -13.465 -1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.163 -12.967 -1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.682 -15.006 -2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.417 -15.115 -2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.431 -12.673 -3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.681 -12.668 -3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.955 -14.882 -5.013 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.977 -13.275 -5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.968 -14.474 -6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.569 -13.128 -5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.547 -14.686 -4.705 1.00 0.00 H new ATOM 894 N CYS A 58 -5.665 -13.799 1.890 1.00 0.00 N ATOM 895 CA CYS A 58 -5.790 -13.193 3.244 1.00 0.00 C ATOM 896 C CYS A 58 -6.325 -11.765 3.118 1.00 0.00 C ATOM 897 O CYS A 58 -6.137 -11.108 2.114 1.00 0.00 O ATOM 898 CB CYS A 58 -4.418 -13.166 3.920 1.00 0.00 C ATOM 899 SG CYS A 58 -4.522 -13.995 5.525 1.00 0.00 S ATOM 0 H CYS A 58 -4.723 -13.802 1.500 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.479 -13.787 3.844 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.680 -13.662 3.289 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.085 -12.136 4.051 1.00 0.00 H new ATOM 904 N GLU A 59 -6.990 -11.281 4.130 1.00 0.00 N ATOM 905 CA GLU A 59 -7.537 -9.896 4.067 1.00 0.00 C ATOM 906 C GLU A 59 -6.420 -8.893 4.363 1.00 0.00 C ATOM 907 O GLU A 59 -5.879 -8.945 5.454 1.00 0.00 O ATOM 908 CB GLU A 59 -8.651 -9.740 5.104 1.00 0.00 C ATOM 909 CG GLU A 59 -9.788 -10.713 4.783 1.00 0.00 C ATOM 910 CD GLU A 59 -10.936 -10.500 5.771 1.00 0.00 C ATOM 911 OE1 GLU A 59 -10.748 -9.753 6.715 1.00 0.00 O ATOM 912 OE2 GLU A 59 -11.985 -11.088 5.564 1.00 0.00 O ATOM 913 OXT GLU A 59 -6.128 -8.090 3.493 1.00 0.00 O ATOM 0 H GLU A 59 -7.178 -11.784 4.997 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.939 -9.709 3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.262 -9.936 6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.023 -8.716 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.138 -10.556 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.429 -11.741 4.842 1.00 0.00 H new