USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 608 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 MET CE :methyl -179:sc= -1.71! (180deg=-1.71) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0378 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -157:sc= 1.24 USER MOD Single : A 7 LYS NZ :NH3+ 130:sc= 1.24 (180deg=0.299) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 161:sc= -0.104 (180deg=-0.612) USER MOD Single : A 37 LYS NZ :NH3+ 138:sc= 1.33 (180deg=-0.263) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.273 K(o=-0.27,f=-3.8!) USER MOD Single : A 54 CYS SG : rot -53:sc= -0.953 USER MOD Single : A 55 ASN : amide:sc= 0.0789 X(o=0.079,f=-0.31) USER MOD Single : A 57 MET CE :methyl 161:sc= -1 (180deg=-1.55!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -113:sc= -2.35 (180deg=-5.45!) USER MOD Single : A 64 ASN : amide:sc= -0.0311 X(o=-0.031,f=-0.11) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.633 -10.409 -3.777 1.00 0.00 N ATOM 2 CA MET A 1 -5.481 -9.283 -4.727 1.00 0.00 C ATOM 3 C MET A 1 -4.289 -8.416 -4.331 1.00 0.00 C ATOM 4 O MET A 1 -3.999 -8.258 -3.145 1.00 0.00 O ATOM 5 CB MET A 1 -6.762 -8.446 -4.759 1.00 0.00 C ATOM 6 CG MET A 1 -6.754 -7.354 -5.817 1.00 0.00 C ATOM 7 SD MET A 1 -8.303 -6.437 -5.878 1.00 0.00 S ATOM 8 CE MET A 1 -7.962 -5.302 -7.220 1.00 0.00 C ATOM 0 H1 MET A 1 -6.638 -10.530 -3.540 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.272 -11.282 -4.212 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.095 -10.207 -2.910 1.00 0.00 H new ATOM 0 HA MET A 1 -5.301 -9.685 -5.724 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.612 -9.105 -4.937 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.912 -7.990 -3.780 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.935 -6.664 -5.615 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.561 -7.800 -6.793 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.822 -4.649 -7.372 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.088 -4.699 -6.974 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.768 -5.865 -8.133 1.00 0.00 H new ATOM 20 N LYS A 2 -3.594 -7.868 -5.322 1.00 0.00 N ATOM 21 CA LYS A 2 -2.427 -7.028 -5.075 1.00 0.00 C ATOM 22 C LYS A 2 -2.833 -5.595 -4.770 1.00 0.00 C ATOM 23 O LYS A 2 -3.824 -5.092 -5.299 1.00 0.00 O ATOM 24 CB LYS A 2 -1.495 -7.029 -6.292 1.00 0.00 C ATOM 25 CG LYS A 2 -0.409 -8.095 -6.259 1.00 0.00 C ATOM 26 CD LYS A 2 -0.981 -9.494 -6.117 1.00 0.00 C ATOM 27 CE LYS A 2 0.116 -10.543 -6.113 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.421 -11.900 -5.832 1.00 0.00 N ATOM 0 H LYS A 2 -3.820 -7.991 -6.309 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.907 -7.443 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.094 -7.168 -7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.022 -6.050 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.182 -8.037 -7.173 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.268 -7.895 -5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.555 -9.562 -5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.672 -9.691 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.621 -10.545 -7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.863 -10.285 -5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.358 -12.589 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.881 -11.905 -4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.116 -12.157 -6.562 1.00 0.00 H new ATOM 42 N LEU A 3 -2.056 -4.946 -3.915 1.00 0.00 N ATOM 43 CA LEU A 3 -2.203 -3.515 -3.674 1.00 0.00 C ATOM 44 C LEU A 3 -1.862 -2.752 -4.952 1.00 0.00 C ATOM 45 O LEU A 3 -2.409 -1.688 -5.230 1.00 0.00 O ATOM 46 CB LEU A 3 -1.299 -3.098 -2.504 1.00 0.00 C ATOM 47 CG LEU A 3 -1.157 -1.595 -2.237 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.508 -0.919 -2.111 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.357 -1.371 -0.972 1.00 0.00 C ATOM 0 H LEU A 3 -1.314 -5.389 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.232 -3.278 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.679 -3.569 -1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.304 -3.506 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.637 -1.154 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.366 0.145 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.069 -1.052 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.062 -1.364 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.260 -0.301 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.868 -1.839 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.634 -1.811 -1.085 1.00 0.00 H new ATOM 61 N SER A 4 -0.975 -3.339 -5.739 1.00 0.00 N ATOM 62 CA SER A 4 -0.591 -2.790 -7.030 1.00 0.00 C ATOM 63 C SER A 4 -1.689 -3.024 -8.077 1.00 0.00 C ATOM 64 O SER A 4 -1.654 -2.448 -9.164 1.00 0.00 O ATOM 65 CB SER A 4 0.727 -3.434 -7.476 1.00 0.00 C ATOM 66 OG SER A 4 1.128 -3.010 -8.768 1.00 0.00 O ATOM 0 H SER A 4 -0.501 -4.210 -5.501 1.00 0.00 H new ATOM 0 HA SER A 4 -0.455 -1.713 -6.933 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.509 -3.189 -6.757 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.618 -4.519 -7.470 1.00 0.00 H new ATOM 0 HG SER A 4 1.734 -3.674 -9.157 1.00 0.00 H new ATOM 72 N GLU A 5 -2.673 -3.857 -7.744 1.00 0.00 N ATOM 73 CA GLU A 5 -3.754 -4.171 -8.676 1.00 0.00 C ATOM 74 C GLU A 5 -4.942 -3.245 -8.443 1.00 0.00 C ATOM 75 O GLU A 5 -5.948 -3.312 -9.146 1.00 0.00 O ATOM 76 CB GLU A 5 -4.185 -5.632 -8.527 1.00 0.00 C ATOM 77 CG GLU A 5 -4.329 -6.377 -9.849 1.00 0.00 C ATOM 78 CD GLU A 5 -5.467 -5.867 -10.715 1.00 0.00 C ATOM 79 OE1 GLU A 5 -6.609 -6.348 -10.548 1.00 0.00 O ATOM 80 OE2 GLU A 5 -5.223 -5.004 -11.588 1.00 0.00 O ATOM 0 H GLU A 5 -2.744 -4.325 -6.840 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.387 -4.020 -9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.456 -6.153 -7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.137 -5.666 -7.997 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.395 -6.295 -10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.486 -7.436 -9.644 1.00 0.00 H new ATOM 87 N LEU A 6 -4.824 -2.379 -7.446 1.00 0.00 N ATOM 88 CA LEU A 6 -5.885 -1.429 -7.137 1.00 0.00 C ATOM 89 C LEU A 6 -5.891 -0.274 -8.127 1.00 0.00 C ATOM 90 O LEU A 6 -4.897 -0.018 -8.808 1.00 0.00 O ATOM 91 CB LEU A 6 -5.738 -0.889 -5.716 1.00 0.00 C ATOM 92 CG LEU A 6 -6.008 -1.899 -4.604 1.00 0.00 C ATOM 93 CD1 LEU A 6 -5.864 -1.237 -3.246 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.397 -2.499 -4.754 1.00 0.00 C ATOM 0 H LEU A 6 -4.007 -2.314 -6.839 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.833 -1.962 -7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.726 -0.502 -5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.419 -0.047 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.275 -2.702 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.059 -1.969 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.851 -0.849 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.578 -0.417 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.572 -3.217 -3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.143 -1.706 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.473 -3.005 -5.717 1.00 0.00 H new ATOM 106 N LYS A 7 -7.020 0.417 -8.208 1.00 0.00 N ATOM 107 CA LYS A 7 -7.160 1.548 -9.111 1.00 0.00 C ATOM 108 C LYS A 7 -7.260 2.838 -8.301 1.00 0.00 C ATOM 109 O LYS A 7 -7.424 2.797 -7.080 1.00 0.00 O ATOM 110 CB LYS A 7 -8.407 1.380 -9.989 1.00 0.00 C ATOM 111 CG LYS A 7 -8.642 -0.051 -10.453 1.00 0.00 C ATOM 112 CD LYS A 7 -7.511 -0.574 -11.327 1.00 0.00 C ATOM 113 CE LYS A 7 -7.586 -2.085 -11.463 1.00 0.00 C ATOM 114 NZ LYS A 7 -6.484 -2.638 -12.297 1.00 0.00 N ATOM 0 H LYS A 7 -7.854 0.212 -7.657 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.285 1.595 -9.759 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.280 1.720 -9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.315 2.025 -10.863 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.753 -0.698 -9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.579 -0.100 -11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.565 -0.113 -12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.551 -0.291 -10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.550 -2.538 -10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.544 -2.360 -11.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.028 -3.425 -11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.871 -2.983 -13.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.782 -1.893 -12.483 1.00 0.00 H new ATOM 128 N ALA A 8 -7.177 3.976 -8.977 1.00 0.00 N ATOM 129 CA ALA A 8 -7.226 5.268 -8.307 1.00 0.00 C ATOM 130 C ALA A 8 -8.631 5.549 -7.790 1.00 0.00 C ATOM 131 O ALA A 8 -9.555 5.802 -8.565 1.00 0.00 O ATOM 132 CB ALA A 8 -6.769 6.376 -9.245 1.00 0.00 C ATOM 0 H ALA A 8 -7.075 4.030 -9.990 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.546 5.239 -7.456 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.813 7.333 -8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.745 6.183 -9.564 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.422 6.406 -10.118 1.00 0.00 H new ATOM 138 N GLY A 9 -8.782 5.499 -6.477 1.00 0.00 N ATOM 139 CA GLY A 9 -10.079 5.687 -5.870 1.00 0.00 C ATOM 140 C GLY A 9 -10.568 4.438 -5.165 1.00 0.00 C ATOM 141 O GLY A 9 -11.534 4.486 -4.403 1.00 0.00 O ATOM 0 H GLY A 9 -8.023 5.330 -5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.028 6.509 -5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.799 5.975 -6.636 1.00 0.00 H new ATOM 145 N ASP A 10 -9.896 3.316 -5.412 1.00 0.00 N ATOM 146 CA ASP A 10 -10.270 2.053 -4.787 1.00 0.00 C ATOM 147 C ASP A 10 -9.821 2.004 -3.338 1.00 0.00 C ATOM 148 O ASP A 10 -8.707 2.419 -3.004 1.00 0.00 O ATOM 149 CB ASP A 10 -9.692 0.859 -5.547 1.00 0.00 C ATOM 150 CG ASP A 10 -10.677 0.287 -6.541 1.00 0.00 C ATOM 151 OD1 ASP A 10 -11.867 0.137 -6.184 1.00 0.00 O ATOM 152 OD2 ASP A 10 -10.274 -0.003 -7.686 1.00 0.00 O ATOM 0 H ASP A 10 -9.093 3.257 -6.038 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.358 1.991 -4.821 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.787 1.167 -6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.402 0.084 -4.837 1.00 0.00 H new ATOM 157 N ARG A 11 -10.696 1.495 -2.485 1.00 0.00 N ATOM 158 CA ARG A 11 -10.431 1.430 -1.060 1.00 0.00 C ATOM 159 C ARG A 11 -10.348 -0.026 -0.618 1.00 0.00 C ATOM 160 O ARG A 11 -11.288 -0.798 -0.816 1.00 0.00 O ATOM 161 CB ARG A 11 -11.538 2.160 -0.301 1.00 0.00 C ATOM 162 CG ARG A 11 -11.182 2.503 1.133 1.00 0.00 C ATOM 163 CD ARG A 11 -12.301 3.289 1.792 1.00 0.00 C ATOM 164 NE ARG A 11 -11.916 3.816 3.097 1.00 0.00 N ATOM 165 CZ ARG A 11 -12.770 3.992 4.105 1.00 0.00 C ATOM 166 NH1 ARG A 11 -14.053 3.676 3.956 1.00 0.00 N ATOM 167 NH2 ARG A 11 -12.344 4.493 5.255 1.00 0.00 N ATOM 0 H ARG A 11 -11.603 1.118 -2.760 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.479 1.913 -0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.784 3.079 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.435 1.541 -0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.994 1.588 1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.261 3.085 1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.594 4.114 1.142 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.174 2.647 1.906 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.938 4.064 3.246 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.385 3.298 3.069 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.705 3.812 4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.362 4.744 5.369 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.998 4.628 6.026 1.00 0.00 H new ATOM 181 N ALA A 12 -9.228 -0.402 -0.025 1.00 0.00 N ATOM 182 CA ALA A 12 -8.989 -1.790 0.343 1.00 0.00 C ATOM 183 C ALA A 12 -8.267 -1.879 1.677 1.00 0.00 C ATOM 184 O ALA A 12 -7.630 -0.920 2.109 1.00 0.00 O ATOM 185 CB ALA A 12 -8.177 -2.486 -0.740 1.00 0.00 C ATOM 0 H ALA A 12 -8.467 0.235 0.213 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.953 -2.289 0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.004 -3.524 -0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.725 -2.455 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.220 -1.978 -0.860 1.00 0.00 H new ATOM 191 N GLU A 13 -8.372 -3.023 2.333 1.00 0.00 N ATOM 192 CA GLU A 13 -7.639 -3.245 3.567 1.00 0.00 C ATOM 193 C GLU A 13 -6.507 -4.237 3.334 1.00 0.00 C ATOM 194 O GLU A 13 -6.632 -5.157 2.526 1.00 0.00 O ATOM 195 CB GLU A 13 -8.563 -3.735 4.685 1.00 0.00 C ATOM 196 CG GLU A 13 -9.174 -5.107 4.453 1.00 0.00 C ATOM 197 CD GLU A 13 -9.964 -5.579 5.656 1.00 0.00 C ATOM 198 OE1 GLU A 13 -9.589 -5.219 6.792 1.00 0.00 O ATOM 199 OE2 GLU A 13 -10.963 -6.310 5.479 1.00 0.00 O ATOM 0 H GLU A 13 -8.953 -3.806 2.034 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.214 -2.293 3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.001 -3.757 5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.368 -3.012 4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.826 -5.072 3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.384 -5.825 4.232 1.00 0.00 H new ATOM 206 N VAL A 14 -5.400 -4.026 4.024 1.00 0.00 N ATOM 207 CA VAL A 14 -4.237 -4.887 3.892 1.00 0.00 C ATOM 208 C VAL A 14 -4.457 -6.195 4.636 1.00 0.00 C ATOM 209 O VAL A 14 -4.636 -6.204 5.855 1.00 0.00 O ATOM 210 CB VAL A 14 -2.966 -4.198 4.434 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.746 -5.085 4.243 1.00 0.00 C ATOM 212 CG2 VAL A 14 -2.761 -2.847 3.763 1.00 0.00 C ATOM 0 H VAL A 14 -5.282 -3.260 4.687 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.098 -5.091 2.830 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.099 -4.032 5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.863 -4.578 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.891 -6.024 4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.608 -5.290 3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.860 -2.377 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.655 -2.987 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.621 -2.208 3.962 1.00 0.00 H new ATOM 222 N THR A 15 -4.457 -7.293 3.901 1.00 0.00 N ATOM 223 CA THR A 15 -4.629 -8.602 4.498 1.00 0.00 C ATOM 224 C THR A 15 -3.277 -9.278 4.712 1.00 0.00 C ATOM 225 O THR A 15 -3.118 -10.101 5.614 1.00 0.00 O ATOM 226 CB THR A 15 -5.530 -9.498 3.625 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.090 -9.454 2.261 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.984 -9.053 3.712 1.00 0.00 C ATOM 0 H THR A 15 -4.339 -7.302 2.888 1.00 0.00 H new ATOM 0 HA THR A 15 -5.113 -8.463 5.465 1.00 0.00 H new ATOM 0 HB THR A 15 -5.458 -10.520 3.996 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.666 -10.027 1.713 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.600 -9.700 3.088 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.323 -9.117 4.746 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.071 -8.024 3.364 1.00 0.00 H new ATOM 236 N SER A 16 -2.300 -8.907 3.892 1.00 0.00 N ATOM 237 CA SER A 16 -0.972 -9.491 3.981 1.00 0.00 C ATOM 238 C SER A 16 0.058 -8.581 3.316 1.00 0.00 C ATOM 239 O SER A 16 -0.286 -7.758 2.466 1.00 0.00 O ATOM 240 CB SER A 16 -0.965 -10.876 3.323 1.00 0.00 C ATOM 241 OG SER A 16 0.281 -11.527 3.500 1.00 0.00 O ATOM 0 H SER A 16 -2.405 -8.205 3.160 1.00 0.00 H new ATOM 0 HA SER A 16 -0.706 -9.598 5.032 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.760 -11.487 3.750 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.177 -10.776 2.258 1.00 0.00 H new ATOM 0 HG SER A 16 0.254 -12.408 3.071 1.00 0.00 H new ATOM 247 N VAL A 17 1.316 -8.735 3.706 1.00 0.00 N ATOM 248 CA VAL A 17 2.400 -7.929 3.161 1.00 0.00 C ATOM 249 C VAL A 17 3.661 -8.781 3.011 1.00 0.00 C ATOM 250 O VAL A 17 4.033 -9.523 3.924 1.00 0.00 O ATOM 251 CB VAL A 17 2.690 -6.690 4.049 1.00 0.00 C ATOM 252 CG1 VAL A 17 3.015 -7.097 5.481 1.00 0.00 C ATOM 253 CG2 VAL A 17 3.817 -5.852 3.458 1.00 0.00 C ATOM 0 H VAL A 17 1.613 -9.417 4.404 1.00 0.00 H new ATOM 0 HA VAL A 17 2.091 -7.568 2.180 1.00 0.00 H new ATOM 0 HB VAL A 17 1.786 -6.082 4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.213 -6.206 6.077 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.169 -7.637 5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.895 -7.740 5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.003 -4.989 4.097 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.722 -6.455 3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.533 -5.511 2.462 1.00 0.00 H new ATOM 263 N ALA A 18 4.308 -8.688 1.861 1.00 0.00 N ATOM 264 CA ALA A 18 5.509 -9.465 1.605 1.00 0.00 C ATOM 265 C ALA A 18 6.601 -8.586 1.013 1.00 0.00 C ATOM 266 O ALA A 18 6.495 -8.128 -0.126 1.00 0.00 O ATOM 267 CB ALA A 18 5.198 -10.631 0.678 1.00 0.00 C ATOM 0 H ALA A 18 4.022 -8.083 1.091 1.00 0.00 H new ATOM 0 HA ALA A 18 5.870 -9.864 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.107 -11.203 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.451 -11.275 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.813 -10.251 -0.268 1.00 0.00 H new ATOM 273 N ALA A 19 7.637 -8.345 1.805 1.00 0.00 N ATOM 274 CA ALA A 19 8.756 -7.506 1.394 1.00 0.00 C ATOM 275 C ALA A 19 9.941 -7.720 2.326 1.00 0.00 C ATOM 276 O ALA A 19 9.832 -8.438 3.321 1.00 0.00 O ATOM 277 CB ALA A 19 8.350 -6.037 1.394 1.00 0.00 C ATOM 0 H ALA A 19 7.726 -8.724 2.748 1.00 0.00 H new ATOM 0 HA ALA A 19 9.046 -7.787 0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.198 -5.425 1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.523 -5.888 0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.039 -5.745 2.397 1.00 0.00 H new ATOM 283 N GLU A 20 11.069 -7.106 1.991 1.00 0.00 N ATOM 284 CA GLU A 20 12.251 -7.134 2.844 1.00 0.00 C ATOM 285 C GLU A 20 11.933 -6.536 4.211 1.00 0.00 C ATOM 286 O GLU A 20 11.128 -5.610 4.313 1.00 0.00 O ATOM 287 CB GLU A 20 13.396 -6.358 2.189 1.00 0.00 C ATOM 288 CG GLU A 20 14.132 -7.119 1.089 1.00 0.00 C ATOM 289 CD GLU A 20 13.221 -7.656 0.002 1.00 0.00 C ATOM 290 OE1 GLU A 20 12.385 -6.886 -0.519 1.00 0.00 O ATOM 291 OE2 GLU A 20 13.339 -8.852 -0.343 1.00 0.00 O ATOM 0 H GLU A 20 11.190 -6.578 1.127 1.00 0.00 H new ATOM 0 HA GLU A 20 12.557 -8.172 2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.998 -5.434 1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.113 -6.075 2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.872 -6.459 0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.677 -7.950 1.537 1.00 0.00 H new ATOM 298 N PRO A 21 12.568 -7.057 5.277 1.00 0.00 N ATOM 299 CA PRO A 21 12.298 -6.639 6.657 1.00 0.00 C ATOM 300 C PRO A 21 12.390 -5.125 6.855 1.00 0.00 C ATOM 301 O PRO A 21 11.556 -4.535 7.543 1.00 0.00 O ATOM 302 CB PRO A 21 13.370 -7.362 7.491 1.00 0.00 C ATOM 303 CG PRO A 21 14.342 -7.929 6.510 1.00 0.00 C ATOM 304 CD PRO A 21 13.601 -8.102 5.217 1.00 0.00 C ATOM 0 HA PRO A 21 11.279 -6.893 6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.864 -6.671 8.175 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.925 -8.150 8.099 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.195 -7.262 6.381 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.734 -8.883 6.862 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.257 -7.970 4.357 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.163 -9.097 5.134 1.00 0.00 H new ATOM 312 N ALA A 22 13.382 -4.493 6.231 1.00 0.00 N ATOM 313 CA ALA A 22 13.570 -3.052 6.363 1.00 0.00 C ATOM 314 C ALA A 22 12.418 -2.289 5.723 1.00 0.00 C ATOM 315 O ALA A 22 11.905 -1.317 6.287 1.00 0.00 O ATOM 316 CB ALA A 22 14.883 -2.626 5.733 1.00 0.00 C ATOM 0 H ALA A 22 14.065 -4.955 5.631 1.00 0.00 H new ATOM 0 HA ALA A 22 13.593 -2.816 7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.006 -1.548 5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.708 -3.137 6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.880 -2.886 4.675 1.00 0.00 H new ATOM 322 N VAL A 23 12.008 -2.742 4.547 1.00 0.00 N ATOM 323 CA VAL A 23 10.911 -2.118 3.824 1.00 0.00 C ATOM 324 C VAL A 23 9.596 -2.370 4.554 1.00 0.00 C ATOM 325 O VAL A 23 8.768 -1.471 4.702 1.00 0.00 O ATOM 326 CB VAL A 23 10.820 -2.658 2.380 1.00 0.00 C ATOM 327 CG1 VAL A 23 9.639 -2.050 1.636 1.00 0.00 C ATOM 328 CG2 VAL A 23 12.117 -2.388 1.631 1.00 0.00 C ATOM 0 H VAL A 23 12.422 -3.544 4.072 1.00 0.00 H new ATOM 0 HA VAL A 23 11.101 -1.046 3.778 1.00 0.00 H new ATOM 0 HB VAL A 23 10.662 -3.735 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.602 -2.450 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.714 -2.297 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.754 -0.967 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.038 -2.774 0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.301 -1.314 1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.943 -2.882 2.143 1.00 0.00 H new ATOM 338 N ARG A 24 9.435 -3.596 5.033 1.00 0.00 N ATOM 339 CA ARG A 24 8.252 -3.984 5.789 1.00 0.00 C ATOM 340 C ARG A 24 8.123 -3.148 7.056 1.00 0.00 C ATOM 341 O ARG A 24 7.054 -2.624 7.356 1.00 0.00 O ATOM 342 CB ARG A 24 8.327 -5.465 6.160 1.00 0.00 C ATOM 343 CG ARG A 24 7.084 -5.980 6.870 1.00 0.00 C ATOM 344 CD ARG A 24 7.353 -7.309 7.558 1.00 0.00 C ATOM 345 NE ARG A 24 7.849 -8.322 6.629 1.00 0.00 N ATOM 346 CZ ARG A 24 8.949 -9.045 6.836 1.00 0.00 C ATOM 347 NH1 ARG A 24 9.699 -8.835 7.915 1.00 0.00 N ATOM 348 NH2 ARG A 24 9.306 -9.956 5.945 1.00 0.00 N ATOM 0 H ARG A 24 10.116 -4.345 4.910 1.00 0.00 H new ATOM 0 HA ARG A 24 7.377 -3.811 5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.486 -6.050 5.254 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.194 -5.627 6.800 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.753 -5.247 7.606 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.274 -6.098 6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.081 -7.162 8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.436 -7.666 8.026 1.00 0.00 H new ATOM 0 HE ARG A 24 7.322 -8.485 5.771 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.433 -8.117 8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.540 -9.392 8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.741 -10.100 5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.146 -10.514 6.095 1.00 0.00 H new ATOM 362 N ARG A 25 9.227 -3.026 7.789 1.00 0.00 N ATOM 363 CA ARG A 25 9.261 -2.246 9.023 1.00 0.00 C ATOM 364 C ARG A 25 8.845 -0.804 8.758 1.00 0.00 C ATOM 365 O ARG A 25 8.104 -0.208 9.538 1.00 0.00 O ATOM 366 CB ARG A 25 10.666 -2.286 9.626 1.00 0.00 C ATOM 367 CG ARG A 25 10.787 -1.600 10.978 1.00 0.00 C ATOM 368 CD ARG A 25 9.845 -2.210 12.001 1.00 0.00 C ATOM 369 NE ARG A 25 10.220 -1.840 13.363 1.00 0.00 N ATOM 370 CZ ARG A 25 9.513 -2.153 14.446 1.00 0.00 C ATOM 371 NH1 ARG A 25 8.318 -2.729 14.327 1.00 0.00 N ATOM 372 NH2 ARG A 25 9.990 -1.862 15.648 1.00 0.00 N ATOM 0 H ARG A 25 10.117 -3.462 7.547 1.00 0.00 H new ATOM 0 HA ARG A 25 8.556 -2.683 9.730 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.974 -3.326 9.731 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.361 -1.816 8.930 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.814 -1.678 11.336 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.568 -0.538 10.869 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.826 -1.879 11.801 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.853 -3.296 11.903 1.00 0.00 H new ATOM 0 HE ARG A 25 11.080 -1.307 13.493 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.940 -2.933 13.402 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.781 -2.966 15.161 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.895 -1.400 15.740 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.452 -2.100 16.481 1.00 0.00 H new ATOM 386 N ARG A 26 9.319 -0.257 7.646 1.00 0.00 N ATOM 387 CA ARG A 26 8.950 1.085 7.238 1.00 0.00 C ATOM 388 C ARG A 26 7.446 1.176 6.992 1.00 0.00 C ATOM 389 O ARG A 26 6.788 2.104 7.459 1.00 0.00 O ATOM 390 CB ARG A 26 9.723 1.476 5.978 1.00 0.00 C ATOM 391 CG ARG A 26 9.215 2.740 5.321 1.00 0.00 C ATOM 392 CD ARG A 26 9.957 3.028 4.032 1.00 0.00 C ATOM 393 NE ARG A 26 9.178 3.885 3.143 1.00 0.00 N ATOM 394 CZ ARG A 26 8.810 3.522 1.917 1.00 0.00 C ATOM 395 NH1 ARG A 26 9.204 2.352 1.429 1.00 0.00 N ATOM 396 NH2 ARG A 26 8.056 4.324 1.178 1.00 0.00 N ATOM 0 H ARG A 26 9.963 -0.728 7.010 1.00 0.00 H new ATOM 0 HA ARG A 26 9.206 1.779 8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.774 1.607 6.234 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.669 0.657 5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.149 2.642 5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.332 3.580 6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.909 3.508 4.259 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.186 2.090 3.526 1.00 0.00 H new ATOM 0 HE ARG A 26 8.902 4.808 3.478 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.787 1.734 1.994 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.924 2.071 0.489 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.755 5.225 1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.777 4.040 0.239 1.00 0.00 H new ATOM 410 N LEU A 27 6.907 0.200 6.270 1.00 0.00 N ATOM 411 CA LEU A 27 5.480 0.164 5.982 1.00 0.00 C ATOM 412 C LEU A 27 4.676 0.041 7.272 1.00 0.00 C ATOM 413 O LEU A 27 3.672 0.726 7.454 1.00 0.00 O ATOM 414 CB LEU A 27 5.152 -0.998 5.042 1.00 0.00 C ATOM 415 CG LEU A 27 5.825 -0.938 3.667 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.463 -2.164 2.842 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.428 0.336 2.934 1.00 0.00 C ATOM 0 H LEU A 27 7.437 -0.576 5.874 1.00 0.00 H new ATOM 0 HA LEU A 27 5.207 1.098 5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.440 -1.930 5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.072 -1.034 4.898 1.00 0.00 H new ATOM 0 HG LEU A 27 6.905 -0.929 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.950 -2.104 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.797 -3.063 3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.382 -2.204 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.915 0.362 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.346 0.357 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.738 1.203 3.518 1.00 0.00 H new ATOM 429 N MET A 28 5.143 -0.817 8.174 1.00 0.00 N ATOM 430 CA MET A 28 4.476 -1.020 9.457 1.00 0.00 C ATOM 431 C MET A 28 4.450 0.271 10.269 1.00 0.00 C ATOM 432 O MET A 28 3.460 0.576 10.935 1.00 0.00 O ATOM 433 CB MET A 28 5.168 -2.125 10.259 1.00 0.00 C ATOM 434 CG MET A 28 5.096 -3.493 9.601 1.00 0.00 C ATOM 435 SD MET A 28 5.923 -4.775 10.564 1.00 0.00 S ATOM 436 CE MET A 28 4.925 -4.778 12.053 1.00 0.00 C ATOM 0 H MET A 28 5.981 -1.383 8.041 1.00 0.00 H new ATOM 0 HA MET A 28 3.449 -1.323 9.252 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.214 -1.856 10.404 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.714 -2.183 11.248 1.00 0.00 H new ATOM 0 HG2 MET A 28 4.051 -3.769 9.459 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.549 -3.439 8.611 1.00 0.00 H new ATOM 0 HE1 MET A 28 5.079 -5.712 12.593 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.215 -3.940 12.687 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.873 -4.683 11.786 1.00 0.00 H new ATOM 446 N ASP A 29 5.535 1.035 10.200 1.00 0.00 N ATOM 447 CA ASP A 29 5.621 2.308 10.910 1.00 0.00 C ATOM 448 C ASP A 29 4.692 3.339 10.275 1.00 0.00 C ATOM 449 O ASP A 29 4.151 4.210 10.959 1.00 0.00 O ATOM 450 CB ASP A 29 7.061 2.825 10.913 1.00 0.00 C ATOM 451 CG ASP A 29 7.233 4.064 11.771 1.00 0.00 C ATOM 452 OD1 ASP A 29 7.116 3.955 13.014 1.00 0.00 O ATOM 453 OD2 ASP A 29 7.493 5.152 11.218 1.00 0.00 O ATOM 0 H ASP A 29 6.367 0.796 9.660 1.00 0.00 H new ATOM 0 HA ASP A 29 5.308 2.146 11.941 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.724 2.040 11.277 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.365 3.050 9.891 1.00 0.00 H new ATOM 458 N LEU A 30 4.484 3.208 8.969 1.00 0.00 N ATOM 459 CA LEU A 30 3.591 4.095 8.228 1.00 0.00 C ATOM 460 C LEU A 30 2.131 3.702 8.446 1.00 0.00 C ATOM 461 O LEU A 30 1.221 4.317 7.895 1.00 0.00 O ATOM 462 CB LEU A 30 3.923 4.056 6.733 1.00 0.00 C ATOM 463 CG LEU A 30 5.292 4.628 6.353 1.00 0.00 C ATOM 464 CD1 LEU A 30 5.609 4.337 4.894 1.00 0.00 C ATOM 465 CD2 LEU A 30 5.330 6.125 6.614 1.00 0.00 C ATOM 0 H LEU A 30 4.926 2.489 8.396 1.00 0.00 H new ATOM 0 HA LEU A 30 3.736 5.109 8.599 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.872 3.022 6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.154 4.607 6.192 1.00 0.00 H new ATOM 0 HG LEU A 30 6.049 4.146 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.586 4.752 4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.620 3.259 4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.849 4.791 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.309 6.518 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.561 6.618 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.147 6.315 7.672 1.00 0.00 H new ATOM 477 N GLY A 31 1.920 2.667 9.247 1.00 0.00 N ATOM 478 CA GLY A 31 0.578 2.249 9.591 1.00 0.00 C ATOM 479 C GLY A 31 0.025 1.213 8.637 1.00 0.00 C ATOM 480 O GLY A 31 -1.184 0.981 8.595 1.00 0.00 O ATOM 0 H GLY A 31 2.661 2.106 9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.577 1.843 10.602 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.079 3.119 9.596 1.00 0.00 H new ATOM 484 N LEU A 32 0.906 0.585 7.871 1.00 0.00 N ATOM 485 CA LEU A 32 0.496 -0.426 6.911 1.00 0.00 C ATOM 486 C LEU A 32 0.699 -1.817 7.509 1.00 0.00 C ATOM 487 O LEU A 32 1.794 -2.379 7.462 1.00 0.00 O ATOM 488 CB LEU A 32 1.285 -0.257 5.601 1.00 0.00 C ATOM 489 CG LEU A 32 0.674 -0.915 4.354 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.267 -0.301 3.094 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.908 -2.420 4.355 1.00 0.00 C ATOM 0 H LEU A 32 1.911 0.759 7.897 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.563 -0.306 6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.400 0.809 5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.285 -0.664 5.748 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.401 -0.736 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.827 -0.775 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.053 0.768 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.346 -0.456 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.464 -2.858 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.979 -2.622 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.448 -2.859 5.240 1.00 0.00 H new ATOM 503 N VAL A 33 -0.359 -2.344 8.106 1.00 0.00 N ATOM 504 CA VAL A 33 -0.337 -3.672 8.709 1.00 0.00 C ATOM 505 C VAL A 33 -1.606 -4.427 8.327 1.00 0.00 C ATOM 506 O VAL A 33 -2.467 -3.880 7.638 1.00 0.00 O ATOM 507 CB VAL A 33 -0.230 -3.604 10.252 1.00 0.00 C ATOM 508 CG1 VAL A 33 1.102 -2.999 10.682 1.00 0.00 C ATOM 509 CG2 VAL A 33 -1.391 -2.816 10.844 1.00 0.00 C ATOM 0 H VAL A 33 -1.256 -1.866 8.187 1.00 0.00 H new ATOM 0 HA VAL A 33 0.544 -4.192 8.332 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.279 -4.624 10.634 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.151 -2.963 11.770 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.919 -3.612 10.302 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.189 -1.989 10.281 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.293 -2.783 11.929 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.381 -1.801 10.448 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.331 -3.300 10.580 1.00 0.00 H new ATOM 519 N ARG A 34 -1.730 -5.674 8.770 1.00 0.00 N ATOM 520 CA ARG A 34 -2.938 -6.441 8.496 1.00 0.00 C ATOM 521 C ARG A 34 -4.119 -5.809 9.221 1.00 0.00 C ATOM 522 O ARG A 34 -4.093 -5.638 10.440 1.00 0.00 O ATOM 523 CB ARG A 34 -2.787 -7.907 8.919 1.00 0.00 C ATOM 524 CG ARG A 34 -4.008 -8.751 8.571 1.00 0.00 C ATOM 525 CD ARG A 34 -3.878 -10.186 9.059 1.00 0.00 C ATOM 526 NE ARG A 34 -3.779 -10.263 10.516 1.00 0.00 N ATOM 527 CZ ARG A 34 -4.817 -10.471 11.327 1.00 0.00 C ATOM 528 NH1 ARG A 34 -6.035 -10.655 10.829 1.00 0.00 N ATOM 529 NH2 ARG A 34 -4.637 -10.505 12.641 1.00 0.00 N ATOM 0 H ARG A 34 -1.021 -6.168 9.312 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.112 -6.424 7.420 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.908 -8.331 8.435 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.613 -7.954 9.994 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.897 -8.299 9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.152 -8.749 7.491 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.740 -10.762 8.723 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.995 -10.643 8.611 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.858 -10.150 10.939 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.181 -10.638 9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.824 -10.814 11.456 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.704 -10.372 13.032 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.431 -10.664 13.261 1.00 0.00 H new ATOM 543 N GLY A 35 -5.138 -5.446 8.464 1.00 0.00 N ATOM 544 CA GLY A 35 -6.297 -4.801 9.040 1.00 0.00 C ATOM 545 C GLY A 35 -6.334 -3.322 8.720 1.00 0.00 C ATOM 546 O GLY A 35 -7.383 -2.682 8.822 1.00 0.00 O ATOM 0 H GLY A 35 -5.184 -5.587 7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.202 -5.277 8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.290 -4.939 10.121 1.00 0.00 H new ATOM 550 N ALA A 36 -5.183 -2.782 8.322 1.00 0.00 N ATOM 551 CA ALA A 36 -5.084 -1.376 7.965 1.00 0.00 C ATOM 552 C ALA A 36 -5.801 -1.124 6.653 1.00 0.00 C ATOM 553 O ALA A 36 -5.626 -1.867 5.688 1.00 0.00 O ATOM 554 CB ALA A 36 -3.629 -0.947 7.868 1.00 0.00 C ATOM 0 H ALA A 36 -4.308 -3.301 8.240 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.560 -0.783 8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.578 0.108 7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.139 -1.101 8.830 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.125 -1.540 7.105 1.00 0.00 H new ATOM 560 N LYS A 37 -6.608 -0.085 6.626 1.00 0.00 N ATOM 561 CA LYS A 37 -7.435 0.199 5.469 1.00 0.00 C ATOM 562 C LYS A 37 -6.947 1.439 4.738 1.00 0.00 C ATOM 563 O LYS A 37 -6.704 2.482 5.347 1.00 0.00 O ATOM 564 CB LYS A 37 -8.886 0.339 5.913 1.00 0.00 C ATOM 565 CG LYS A 37 -9.452 -0.970 6.441 1.00 0.00 C ATOM 566 CD LYS A 37 -10.658 -0.761 7.337 1.00 0.00 C ATOM 567 CE LYS A 37 -11.336 -2.080 7.680 1.00 0.00 C ATOM 568 NZ LYS A 37 -10.390 -3.081 8.246 1.00 0.00 N ATOM 0 H LYS A 37 -6.710 0.579 7.393 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.364 -0.628 4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.955 1.102 6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.490 0.682 5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.733 -1.606 5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.678 -1.499 6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.348 -0.261 8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.371 -0.103 6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.137 -1.897 8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.799 -2.490 6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.841 -3.572 9.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.137 -3.773 7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.531 -2.598 8.577 1.00 0.00 H new ATOM 582 N LEU A 38 -6.794 1.310 3.431 1.00 0.00 N ATOM 583 CA LEU A 38 -6.214 2.362 2.622 1.00 0.00 C ATOM 584 C LEU A 38 -7.036 2.626 1.368 1.00 0.00 C ATOM 585 O LEU A 38 -7.878 1.816 0.976 1.00 0.00 O ATOM 586 CB LEU A 38 -4.765 2.002 2.250 1.00 0.00 C ATOM 587 CG LEU A 38 -4.522 0.581 1.713 1.00 0.00 C ATOM 588 CD1 LEU A 38 -5.036 0.430 0.289 1.00 0.00 C ATOM 589 CD2 LEU A 38 -3.041 0.241 1.773 1.00 0.00 C ATOM 0 H LEU A 38 -7.067 0.479 2.906 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.216 3.278 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.420 2.713 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.142 2.143 3.133 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.075 -0.114 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.848 -0.586 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.107 0.630 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.521 1.138 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.883 -0.767 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.480 0.952 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.697 0.295 2.806 1.00 0.00 H new ATOM 601 N LYS A 39 -6.787 3.766 0.747 1.00 0.00 N ATOM 602 CA LYS A 39 -7.389 4.086 -0.532 1.00 0.00 C ATOM 603 C LYS A 39 -6.336 4.671 -1.461 1.00 0.00 C ATOM 604 O LYS A 39 -5.543 5.522 -1.052 1.00 0.00 O ATOM 605 CB LYS A 39 -8.540 5.080 -0.364 1.00 0.00 C ATOM 606 CG LYS A 39 -9.402 5.212 -1.608 1.00 0.00 C ATOM 607 CD LYS A 39 -10.400 6.349 -1.495 1.00 0.00 C ATOM 608 CE LYS A 39 -9.723 7.702 -1.624 1.00 0.00 C ATOM 609 NZ LYS A 39 -10.705 8.814 -1.622 1.00 0.00 N ATOM 0 H LYS A 39 -6.167 4.489 1.113 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.790 3.168 -0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.165 4.765 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.133 6.058 -0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.763 5.377 -2.475 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.936 4.277 -1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.159 6.246 -2.270 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.914 6.289 -0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.021 7.836 -0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.143 7.731 -2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.203 9.720 -1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.360 8.700 -2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.241 8.802 -0.731 1.00 0.00 H new ATOM 623 N VAL A 40 -6.323 4.208 -2.700 1.00 0.00 N ATOM 624 CA VAL A 40 -5.371 4.695 -3.686 1.00 0.00 C ATOM 625 C VAL A 40 -5.747 6.102 -4.134 1.00 0.00 C ATOM 626 O VAL A 40 -6.880 6.347 -4.551 1.00 0.00 O ATOM 627 CB VAL A 40 -5.304 3.765 -4.913 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.272 4.263 -5.912 1.00 0.00 C ATOM 629 CG2 VAL A 40 -4.990 2.340 -4.487 1.00 0.00 C ATOM 0 H VAL A 40 -6.962 3.494 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.389 4.712 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.280 3.772 -5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.242 3.591 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.542 5.265 -6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.291 4.290 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.947 1.698 -5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.029 2.317 -3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.769 1.981 -3.814 1.00 0.00 H new ATOM 639 N LEU A 41 -4.796 7.019 -4.039 1.00 0.00 N ATOM 640 CA LEU A 41 -5.038 8.411 -4.386 1.00 0.00 C ATOM 641 C LEU A 41 -4.707 8.670 -5.849 1.00 0.00 C ATOM 642 O LEU A 41 -5.544 9.161 -6.603 1.00 0.00 O ATOM 643 CB LEU A 41 -4.211 9.335 -3.488 1.00 0.00 C ATOM 644 CG LEU A 41 -4.478 9.197 -1.987 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.590 10.151 -1.203 1.00 0.00 C ATOM 646 CD2 LEU A 41 -5.947 9.451 -1.674 1.00 0.00 C ATOM 0 H LEU A 41 -3.846 6.823 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.096 8.621 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.154 9.143 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.403 10.367 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.240 8.176 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.791 10.042 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.543 9.919 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.799 11.176 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.114 9.348 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.217 10.459 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.563 8.728 -2.208 1.00 0.00 H new ATOM 658 N ARG A 42 -3.486 8.334 -6.253 1.00 0.00 N ATOM 659 CA ARG A 42 -3.048 8.577 -7.620 1.00 0.00 C ATOM 660 C ARG A 42 -1.892 7.661 -8.003 1.00 0.00 C ATOM 661 O ARG A 42 -1.290 7.006 -7.147 1.00 0.00 O ATOM 662 CB ARG A 42 -2.608 10.031 -7.787 1.00 0.00 C ATOM 663 CG ARG A 42 -1.431 10.410 -6.902 1.00 0.00 C ATOM 664 CD ARG A 42 -0.815 11.734 -7.318 1.00 0.00 C ATOM 665 NE ARG A 42 -0.234 11.670 -8.660 1.00 0.00 N ATOM 666 CZ ARG A 42 1.042 11.938 -8.937 1.00 0.00 C ATOM 667 NH1 ARG A 42 1.890 12.237 -7.961 1.00 0.00 N ATOM 668 NH2 ARG A 42 1.470 11.875 -10.192 1.00 0.00 N ATOM 0 H ARG A 42 -2.786 7.895 -5.655 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.893 8.369 -8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.340 10.205 -8.829 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.449 10.686 -7.561 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.761 10.473 -5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.674 9.627 -6.948 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.577 12.513 -7.289 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.043 12.016 -6.602 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.844 11.403 -9.432 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.566 12.262 -6.994 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.866 12.441 -8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.823 11.622 -10.939 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.445 12.079 -10.409 1.00 0.00 H new ATOM 682 N PHE A 43 -1.590 7.633 -9.293 1.00 0.00 N ATOM 683 CA PHE A 43 -0.448 6.899 -9.816 1.00 0.00 C ATOM 684 C PHE A 43 0.438 7.843 -10.611 1.00 0.00 C ATOM 685 O PHE A 43 -0.049 8.805 -11.205 1.00 0.00 O ATOM 686 CB PHE A 43 -0.890 5.755 -10.737 1.00 0.00 C ATOM 687 CG PHE A 43 -1.679 4.669 -10.063 1.00 0.00 C ATOM 688 CD1 PHE A 43 -1.034 3.590 -9.481 1.00 0.00 C ATOM 689 CD2 PHE A 43 -3.063 4.719 -10.025 1.00 0.00 C ATOM 690 CE1 PHE A 43 -1.755 2.581 -8.872 1.00 0.00 C ATOM 691 CE2 PHE A 43 -3.789 3.711 -9.418 1.00 0.00 C ATOM 692 CZ PHE A 43 -3.134 2.642 -8.839 1.00 0.00 C ATOM 0 H PHE A 43 -2.131 8.120 -10.007 1.00 0.00 H new ATOM 0 HA PHE A 43 0.095 6.478 -8.970 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.490 6.171 -11.546 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.004 5.312 -11.192 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.044 3.537 -9.504 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.580 5.554 -10.474 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.240 1.745 -8.422 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.868 3.760 -9.397 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.699 1.855 -8.361 1.00 0.00 H new ATOM 702 N ALA A 44 1.734 7.580 -10.608 1.00 0.00 N ATOM 703 CA ALA A 44 2.660 8.320 -11.450 1.00 0.00 C ATOM 704 C ALA A 44 2.523 7.860 -12.905 1.00 0.00 C ATOM 705 O ALA A 44 1.933 6.808 -13.162 1.00 0.00 O ATOM 706 CB ALA A 44 4.080 8.133 -10.944 1.00 0.00 C ATOM 0 H ALA A 44 2.169 6.860 -10.032 1.00 0.00 H new ATOM 0 HA ALA A 44 2.422 9.383 -11.407 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.769 8.690 -11.579 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.153 8.500 -9.920 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.339 7.074 -10.969 1.00 0.00 H new ATOM 712 N PRO A 45 3.079 8.617 -13.874 1.00 0.00 N ATOM 713 CA PRO A 45 2.955 8.308 -15.314 1.00 0.00 C ATOM 714 C PRO A 45 3.589 6.974 -15.725 1.00 0.00 C ATOM 715 O PRO A 45 3.639 6.647 -16.910 1.00 0.00 O ATOM 716 CB PRO A 45 3.691 9.467 -16.000 1.00 0.00 C ATOM 717 CG PRO A 45 4.596 10.015 -14.955 1.00 0.00 C ATOM 718 CD PRO A 45 3.863 9.846 -13.657 1.00 0.00 C ATOM 0 HA PRO A 45 1.906 8.207 -15.592 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.253 9.120 -16.867 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.992 10.225 -16.355 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.546 9.482 -14.941 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.822 11.064 -15.144 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.550 9.743 -12.817 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.222 10.701 -13.442 1.00 0.00 H new ATOM 726 N LEU A 46 4.056 6.205 -14.752 1.00 0.00 N ATOM 727 CA LEU A 46 4.704 4.929 -15.027 1.00 0.00 C ATOM 728 C LEU A 46 4.132 3.841 -14.127 1.00 0.00 C ATOM 729 O LEU A 46 4.676 2.740 -14.049 1.00 0.00 O ATOM 730 CB LEU A 46 6.216 5.035 -14.786 1.00 0.00 C ATOM 731 CG LEU A 46 6.953 6.073 -15.634 1.00 0.00 C ATOM 732 CD1 LEU A 46 8.415 6.149 -15.223 1.00 0.00 C ATOM 733 CD2 LEU A 46 6.828 5.740 -17.112 1.00 0.00 C ATOM 0 H LEU A 46 3.998 6.443 -13.762 1.00 0.00 H new ATOM 0 HA LEU A 46 4.520 4.672 -16.070 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.382 5.268 -13.734 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.664 4.058 -14.970 1.00 0.00 H new ATOM 0 HG LEU A 46 6.496 7.048 -15.464 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.927 6.892 -15.835 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.483 6.434 -14.173 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.884 5.176 -15.366 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.358 6.489 -17.700 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.260 4.757 -17.301 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.776 5.734 -17.396 1.00 0.00 H new ATOM 745 N GLY A 47 3.027 4.156 -13.451 1.00 0.00 N ATOM 746 CA GLY A 47 2.444 3.227 -12.494 1.00 0.00 C ATOM 747 C GLY A 47 3.284 3.119 -11.239 1.00 0.00 C ATOM 748 O GLY A 47 3.046 2.268 -10.385 1.00 0.00 O ATOM 0 H GLY A 47 2.525 5.038 -13.549 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.439 3.557 -12.232 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.347 2.243 -12.954 1.00 0.00 H new ATOM 752 N ASP A 48 4.263 4.005 -11.140 1.00 0.00 N ATOM 753 CA ASP A 48 5.226 4.004 -10.052 1.00 0.00 C ATOM 754 C ASP A 48 5.904 5.366 -9.988 1.00 0.00 C ATOM 755 O ASP A 48 6.395 5.853 -11.003 1.00 0.00 O ATOM 756 CB ASP A 48 6.269 2.901 -10.268 1.00 0.00 C ATOM 757 CG ASP A 48 7.421 2.978 -9.288 1.00 0.00 C ATOM 758 OD1 ASP A 48 7.238 2.613 -8.110 1.00 0.00 O ATOM 759 OD2 ASP A 48 8.523 3.398 -9.692 1.00 0.00 O ATOM 0 H ASP A 48 4.412 4.751 -11.819 1.00 0.00 H new ATOM 0 HA ASP A 48 4.712 3.809 -9.111 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.786 1.928 -10.177 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.658 2.970 -11.284 1.00 0.00 H new ATOM 764 N PRO A 49 5.926 6.009 -8.812 1.00 0.00 N ATOM 765 CA PRO A 49 5.366 5.460 -7.577 1.00 0.00 C ATOM 766 C PRO A 49 3.843 5.578 -7.495 1.00 0.00 C ATOM 767 O PRO A 49 3.185 6.082 -8.411 1.00 0.00 O ATOM 768 CB PRO A 49 6.015 6.306 -6.469 1.00 0.00 C ATOM 769 CG PRO A 49 6.927 7.277 -7.151 1.00 0.00 C ATOM 770 CD PRO A 49 6.508 7.334 -8.590 1.00 0.00 C ATOM 0 HA PRO A 49 5.569 4.392 -7.502 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.257 6.830 -5.887 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.570 5.675 -5.775 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.857 8.262 -6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.965 6.958 -7.064 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.784 8.129 -8.769 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.355 7.519 -9.251 1.00 0.00 H new ATOM 778 N ILE A 50 3.303 5.105 -6.384 1.00 0.00 N ATOM 779 CA ILE A 50 1.877 5.150 -6.114 1.00 0.00 C ATOM 780 C ILE A 50 1.636 5.911 -4.812 1.00 0.00 C ATOM 781 O ILE A 50 2.368 5.728 -3.838 1.00 0.00 O ATOM 782 CB ILE A 50 1.289 3.727 -5.976 1.00 0.00 C ATOM 783 CG1 ILE A 50 1.650 2.877 -7.199 1.00 0.00 C ATOM 784 CG2 ILE A 50 -0.223 3.790 -5.799 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.221 1.431 -7.078 1.00 0.00 C ATOM 0 H ILE A 50 3.849 4.675 -5.637 1.00 0.00 H new ATOM 0 HA ILE A 50 1.387 5.651 -6.949 1.00 0.00 H new ATOM 0 HB ILE A 50 1.721 3.260 -5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.186 3.312 -8.084 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.728 2.916 -7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.621 2.780 -5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.461 4.360 -4.901 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.671 4.276 -6.666 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.509 0.889 -7.979 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.706 0.979 -6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.139 1.382 -6.955 1.00 0.00 H new ATOM 797 N GLU A 51 0.629 6.770 -4.790 1.00 0.00 N ATOM 798 CA GLU A 51 0.304 7.511 -3.580 1.00 0.00 C ATOM 799 C GLU A 51 -1.023 7.036 -3.016 1.00 0.00 C ATOM 800 O GLU A 51 -2.034 7.020 -3.720 1.00 0.00 O ATOM 801 CB GLU A 51 0.260 9.014 -3.859 1.00 0.00 C ATOM 802 CG GLU A 51 1.589 9.566 -4.348 1.00 0.00 C ATOM 803 CD GLU A 51 1.663 11.075 -4.275 1.00 0.00 C ATOM 804 OE1 GLU A 51 1.882 11.605 -3.170 1.00 0.00 O ATOM 805 OE2 GLU A 51 1.539 11.742 -5.324 1.00 0.00 O ATOM 0 H GLU A 51 0.027 6.971 -5.588 1.00 0.00 H new ATOM 0 HA GLU A 51 1.085 7.326 -2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.508 9.217 -4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.032 9.538 -2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.395 9.139 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.751 9.249 -5.378 1.00 0.00 H new ATOM 812 N VAL A 52 -1.017 6.630 -1.752 1.00 0.00 N ATOM 813 CA VAL A 52 -2.211 6.085 -1.120 1.00 0.00 C ATOM 814 C VAL A 52 -2.438 6.691 0.260 1.00 0.00 C ATOM 815 O VAL A 52 -1.511 7.203 0.890 1.00 0.00 O ATOM 816 CB VAL A 52 -2.137 4.545 -0.977 1.00 0.00 C ATOM 817 CG1 VAL A 52 -2.073 3.871 -2.337 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.946 4.136 -0.123 1.00 0.00 C ATOM 0 H VAL A 52 -0.198 6.668 -1.145 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.044 6.343 -1.774 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.048 4.214 -0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.022 2.790 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.964 4.125 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.187 4.214 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.916 3.050 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.026 4.489 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.042 4.576 0.870 1.00 0.00 H new ATOM 828 N ASN A 53 -3.681 6.641 0.709 1.00 0.00 N ATOM 829 CA ASN A 53 -4.033 7.049 2.060 1.00 0.00 C ATOM 830 C ASN A 53 -4.298 5.797 2.887 1.00 0.00 C ATOM 831 O ASN A 53 -5.365 5.195 2.777 1.00 0.00 O ATOM 832 CB ASN A 53 -5.280 7.942 2.040 1.00 0.00 C ATOM 833 CG ASN A 53 -5.581 8.582 3.389 1.00 0.00 C ATOM 834 OD1 ASN A 53 -5.273 8.032 4.446 1.00 0.00 O ATOM 835 ND2 ASN A 53 -6.194 9.754 3.353 1.00 0.00 N ATOM 0 H ASN A 53 -4.471 6.318 0.151 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.215 7.620 2.498 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.146 8.726 1.295 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.139 7.349 1.727 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.428 10.234 4.222 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.433 10.177 2.456 1.00 0.00 H new ATOM 842 N CYS A 54 -3.326 5.400 3.692 1.00 0.00 N ATOM 843 CA CYS A 54 -3.419 4.159 4.446 1.00 0.00 C ATOM 844 C CYS A 54 -3.549 4.436 5.933 1.00 0.00 C ATOM 845 O CYS A 54 -2.638 4.985 6.544 1.00 0.00 O ATOM 846 CB CYS A 54 -2.190 3.280 4.186 1.00 0.00 C ATOM 847 SG CYS A 54 -2.206 1.700 5.068 1.00 0.00 S ATOM 0 H CYS A 54 -2.461 5.920 3.841 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.312 3.630 4.112 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.117 3.085 3.116 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.295 3.833 4.471 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.397 1.913 6.336 1.00 0.00 H new ATOM 853 N ASN A 55 -4.695 4.068 6.502 1.00 0.00 N ATOM 854 CA ASN A 55 -4.930 4.178 7.946 1.00 0.00 C ATOM 855 C ASN A 55 -4.907 5.638 8.399 1.00 0.00 C ATOM 856 O ASN A 55 -4.731 5.931 9.583 1.00 0.00 O ATOM 857 CB ASN A 55 -3.869 3.377 8.714 1.00 0.00 C ATOM 858 CG ASN A 55 -4.382 2.784 10.014 1.00 0.00 C ATOM 859 OD1 ASN A 55 -5.326 3.290 10.627 1.00 0.00 O ATOM 860 ND2 ASN A 55 -3.744 1.709 10.448 1.00 0.00 N ATOM 0 H ASN A 55 -5.485 3.687 5.981 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.918 3.770 8.160 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.501 2.573 8.077 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.021 4.026 8.930 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.028 1.265 11.322 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.968 1.324 9.909 1.00 0.00 H new ATOM 867 N GLY A 56 -5.111 6.550 7.457 1.00 0.00 N ATOM 868 CA GLY A 56 -5.048 7.965 7.767 1.00 0.00 C ATOM 869 C GLY A 56 -3.684 8.550 7.461 1.00 0.00 C ATOM 870 O GLY A 56 -3.450 9.746 7.649 1.00 0.00 O ATOM 0 H GLY A 56 -5.319 6.334 6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.808 8.496 7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.280 8.116 8.821 1.00 0.00 H new ATOM 874 N MET A 57 -2.784 7.701 6.994 1.00 0.00 N ATOM 875 CA MET A 57 -1.444 8.120 6.613 1.00 0.00 C ATOM 876 C MET A 57 -1.384 8.362 5.114 1.00 0.00 C ATOM 877 O MET A 57 -1.796 7.513 4.330 1.00 0.00 O ATOM 878 CB MET A 57 -0.428 7.042 6.996 1.00 0.00 C ATOM 879 CG MET A 57 1.025 7.477 6.866 1.00 0.00 C ATOM 880 SD MET A 57 1.594 8.435 8.283 1.00 0.00 S ATOM 881 CE MET A 57 1.366 7.232 9.594 1.00 0.00 C ATOM 0 H MET A 57 -2.960 6.704 6.868 1.00 0.00 H new ATOM 0 HA MET A 57 -1.203 9.044 7.139 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.612 6.735 8.025 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.591 6.166 6.368 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.655 6.595 6.752 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.142 8.072 5.960 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.965 7.518 10.459 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.314 7.197 9.877 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.680 6.249 9.244 1.00 0.00 H new ATOM 891 N LEU A 58 -0.905 9.523 4.714 1.00 0.00 N ATOM 892 CA LEU A 58 -0.679 9.796 3.306 1.00 0.00 C ATOM 893 C LEU A 58 0.774 9.521 2.967 1.00 0.00 C ATOM 894 O LEU A 58 1.669 10.287 3.329 1.00 0.00 O ATOM 895 CB LEU A 58 -1.055 11.235 2.939 1.00 0.00 C ATOM 896 CG LEU A 58 -2.559 11.532 2.924 1.00 0.00 C ATOM 897 CD1 LEU A 58 -3.102 11.690 4.337 1.00 0.00 C ATOM 898 CD2 LEU A 58 -2.844 12.775 2.096 1.00 0.00 C ATOM 0 H LEU A 58 -0.665 10.291 5.341 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.322 9.138 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.574 11.911 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.646 11.461 1.954 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.068 10.684 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.171 11.900 4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.935 10.769 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.590 12.514 4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.916 12.973 2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.318 13.627 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.503 12.617 1.073 1.00 0.00 H new ATOM 910 N LEU A 59 1.009 8.414 2.290 1.00 0.00 N ATOM 911 CA LEU A 59 2.361 7.970 2.015 1.00 0.00 C ATOM 912 C LEU A 59 2.546 7.633 0.544 1.00 0.00 C ATOM 913 O LEU A 59 1.655 7.071 -0.099 1.00 0.00 O ATOM 914 CB LEU A 59 2.733 6.752 2.880 1.00 0.00 C ATOM 915 CG LEU A 59 1.770 5.558 2.826 1.00 0.00 C ATOM 916 CD1 LEU A 59 2.491 4.275 3.210 1.00 0.00 C ATOM 917 CD2 LEU A 59 0.591 5.784 3.762 1.00 0.00 C ATOM 0 H LEU A 59 0.280 7.805 1.920 1.00 0.00 H new ATOM 0 HA LEU A 59 3.027 8.796 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.722 6.407 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.813 7.080 3.916 1.00 0.00 H new ATOM 0 HG LEU A 59 1.400 5.464 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.793 3.439 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.313 4.098 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.884 4.367 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.082 4.928 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.954 5.901 4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.056 6.685 3.462 1.00 0.00 H new ATOM 929 N THR A 60 3.701 8.002 0.018 1.00 0.00 N ATOM 930 CA THR A 60 4.078 7.639 -1.332 1.00 0.00 C ATOM 931 C THR A 60 4.925 6.372 -1.301 1.00 0.00 C ATOM 932 O THR A 60 5.931 6.302 -0.592 1.00 0.00 O ATOM 933 CB THR A 60 4.873 8.765 -2.019 1.00 0.00 C ATOM 934 OG1 THR A 60 4.140 9.998 -1.952 1.00 0.00 O ATOM 935 CG2 THR A 60 5.165 8.415 -3.470 1.00 0.00 C ATOM 0 H THR A 60 4.398 8.558 0.513 1.00 0.00 H new ATOM 0 HA THR A 60 3.165 7.469 -1.902 1.00 0.00 H new ATOM 0 HB THR A 60 5.822 8.882 -1.495 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.654 10.708 -2.390 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.727 9.226 -3.934 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.751 7.497 -3.512 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.227 8.272 -4.006 1.00 0.00 H new ATOM 943 N MET A 61 4.511 5.377 -2.058 1.00 0.00 N ATOM 944 CA MET A 61 5.196 4.097 -2.080 1.00 0.00 C ATOM 945 C MET A 61 5.418 3.645 -3.512 1.00 0.00 C ATOM 946 O MET A 61 4.762 4.129 -4.426 1.00 0.00 O ATOM 947 CB MET A 61 4.388 3.056 -1.299 1.00 0.00 C ATOM 948 CG MET A 61 2.895 3.109 -1.589 1.00 0.00 C ATOM 949 SD MET A 61 1.944 1.936 -0.606 1.00 0.00 S ATOM 950 CE MET A 61 2.523 0.383 -1.277 1.00 0.00 C ATOM 0 H MET A 61 3.698 5.429 -2.671 1.00 0.00 H new ATOM 0 HA MET A 61 6.170 4.206 -1.602 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.762 2.061 -1.540 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.549 3.208 -0.232 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.529 4.117 -1.396 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.729 2.907 -2.647 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.708 -0.111 -1.806 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.345 0.569 -1.969 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.870 -0.257 -0.466 1.00 0.00 H new ATOM 960 N ARG A 62 6.346 2.729 -3.711 1.00 0.00 N ATOM 961 CA ARG A 62 6.672 2.275 -5.050 1.00 0.00 C ATOM 962 C ARG A 62 5.757 1.130 -5.459 1.00 0.00 C ATOM 963 O ARG A 62 5.197 0.432 -4.609 1.00 0.00 O ATOM 964 CB ARG A 62 8.137 1.837 -5.145 1.00 0.00 C ATOM 965 CG ARG A 62 9.134 2.850 -4.599 1.00 0.00 C ATOM 966 CD ARG A 62 8.886 4.253 -5.133 1.00 0.00 C ATOM 967 NE ARG A 62 9.031 4.352 -6.586 1.00 0.00 N ATOM 968 CZ ARG A 62 9.727 5.315 -7.196 1.00 0.00 C ATOM 969 NH1 ARG A 62 10.426 6.190 -6.479 1.00 0.00 N ATOM 970 NH2 ARG A 62 9.747 5.389 -8.518 1.00 0.00 N ATOM 0 H ARG A 62 6.885 2.286 -2.967 1.00 0.00 H new ATOM 0 HA ARG A 62 6.522 3.111 -5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.259 0.898 -4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.376 1.637 -6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.076 2.863 -3.511 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.145 2.538 -4.861 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.881 4.569 -4.852 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.582 4.944 -4.657 1.00 0.00 H new ATOM 0 HE ARG A 62 8.575 3.647 -7.165 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.431 6.127 -5.461 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.957 6.925 -6.947 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.229 4.709 -9.075 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.280 6.126 -8.980 1.00 0.00 H new ATOM 984 N ARG A 63 5.610 0.939 -6.763 1.00 0.00 N ATOM 985 CA ARG A 63 4.733 -0.098 -7.289 1.00 0.00 C ATOM 986 C ARG A 63 5.195 -1.475 -6.831 1.00 0.00 C ATOM 987 O ARG A 63 4.387 -2.285 -6.387 1.00 0.00 O ATOM 988 CB ARG A 63 4.684 -0.048 -8.817 1.00 0.00 C ATOM 989 CG ARG A 63 3.656 -0.997 -9.415 1.00 0.00 C ATOM 990 CD ARG A 63 3.651 -0.939 -10.930 1.00 0.00 C ATOM 991 NE ARG A 63 2.609 -1.789 -11.501 1.00 0.00 N ATOM 992 CZ ARG A 63 2.678 -2.338 -12.714 1.00 0.00 C ATOM 993 NH1 ARG A 63 3.750 -2.150 -13.473 1.00 0.00 N ATOM 994 NH2 ARG A 63 1.677 -3.080 -13.162 1.00 0.00 N ATOM 0 H ARG A 63 6.087 1.489 -7.477 1.00 0.00 H new ATOM 0 HA ARG A 63 3.731 0.085 -6.902 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.457 0.970 -9.134 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.669 -0.293 -9.214 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.870 -2.016 -9.091 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.665 -0.744 -9.038 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.499 0.091 -11.254 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.624 -1.252 -11.309 1.00 0.00 H new ATOM 0 HE ARG A 63 1.779 -1.974 -10.938 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.525 -1.584 -13.129 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.799 -2.572 -14.400 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.854 -3.231 -12.579 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.729 -3.500 -14.090 1.00 0.00 H new ATOM 1008 N ASN A 64 6.502 -1.718 -6.913 1.00 0.00 N ATOM 1009 CA ASN A 64 7.067 -3.015 -6.541 1.00 0.00 C ATOM 1010 C ASN A 64 6.780 -3.335 -5.075 1.00 0.00 C ATOM 1011 O ASN A 64 6.668 -4.502 -4.698 1.00 0.00 O ATOM 1012 CB ASN A 64 8.579 -3.055 -6.804 1.00 0.00 C ATOM 1013 CG ASN A 64 9.392 -2.273 -5.785 1.00 0.00 C ATOM 1014 OD1 ASN A 64 9.818 -2.817 -4.764 1.00 0.00 O ATOM 1015 ND2 ASN A 64 9.628 -0.999 -6.056 1.00 0.00 N ATOM 0 H ASN A 64 7.189 -1.035 -7.233 1.00 0.00 H new ATOM 0 HA ASN A 64 6.589 -3.773 -7.162 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.913 -4.093 -6.804 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.778 -2.656 -7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.179 -0.434 -5.410 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.259 -0.583 -6.911 1.00 0.00 H new ATOM 1022 N GLU A 65 6.648 -2.296 -4.254 1.00 0.00 N ATOM 1023 CA GLU A 65 6.333 -2.471 -2.842 1.00 0.00 C ATOM 1024 C GLU A 65 4.882 -2.917 -2.693 1.00 0.00 C ATOM 1025 O GLU A 65 4.563 -3.776 -1.873 1.00 0.00 O ATOM 1026 CB GLU A 65 6.577 -1.167 -2.069 1.00 0.00 C ATOM 1027 CG GLU A 65 7.980 -0.603 -2.258 1.00 0.00 C ATOM 1028 CD GLU A 65 8.235 0.645 -1.433 1.00 0.00 C ATOM 1029 OE1 GLU A 65 7.549 1.663 -1.651 1.00 0.00 O ATOM 1030 OE2 GLU A 65 9.131 0.615 -0.567 1.00 0.00 O ATOM 0 H GLU A 65 6.755 -1.324 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 65 6.986 -3.238 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.848 -0.422 -2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.405 -1.345 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.711 -1.365 -1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.134 -0.372 -3.312 1.00 0.00 H new ATOM 1037 N ALA A 66 4.016 -2.347 -3.523 1.00 0.00 N ATOM 1038 CA ALA A 66 2.592 -2.660 -3.500 1.00 0.00 C ATOM 1039 C ALA A 66 2.306 -4.041 -4.089 1.00 0.00 C ATOM 1040 O ALA A 66 1.296 -4.665 -3.767 1.00 0.00 O ATOM 1041 CB ALA A 66 1.814 -1.595 -4.256 1.00 0.00 C ATOM 0 H ALA A 66 4.279 -1.658 -4.228 1.00 0.00 H new ATOM 0 HA ALA A 66 2.270 -2.673 -2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.751 -1.836 -4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.975 -0.625 -3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.157 -1.559 -5.290 1.00 0.00 H new ATOM 1047 N GLU A 67 3.187 -4.497 -4.971 1.00 0.00 N ATOM 1048 CA GLU A 67 3.064 -5.821 -5.580 1.00 0.00 C ATOM 1049 C GLU A 67 3.096 -6.914 -4.514 1.00 0.00 C ATOM 1050 O GLU A 67 2.283 -7.840 -4.528 1.00 0.00 O ATOM 1051 CB GLU A 67 4.202 -6.043 -6.577 1.00 0.00 C ATOM 1052 CG GLU A 67 4.238 -5.026 -7.703 1.00 0.00 C ATOM 1053 CD GLU A 67 3.669 -5.554 -9.001 1.00 0.00 C ATOM 1054 OE1 GLU A 67 4.415 -6.228 -9.745 1.00 0.00 O ATOM 1055 OE2 GLU A 67 2.487 -5.286 -9.294 1.00 0.00 O ATOM 0 H GLU A 67 4.001 -3.967 -5.284 1.00 0.00 H new ATOM 0 HA GLU A 67 2.108 -5.871 -6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.152 -6.013 -6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.108 -7.041 -7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.678 -4.140 -7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.269 -4.711 -7.867 1.00 0.00 H new ATOM 1062 N GLY A 68 4.053 -6.798 -3.601 1.00 0.00 N ATOM 1063 CA GLY A 68 4.187 -7.759 -2.518 1.00 0.00 C ATOM 1064 C GLY A 68 3.034 -7.710 -1.529 1.00 0.00 C ATOM 1065 O GLY A 68 2.836 -8.638 -0.748 1.00 0.00 O ATOM 0 H GLY A 68 4.745 -6.049 -3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.255 -8.763 -2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.121 -7.571 -1.988 1.00 0.00 H new ATOM 1069 N ILE A 69 2.270 -6.627 -1.562 1.00 0.00 N ATOM 1070 CA ILE A 69 1.205 -6.421 -0.595 1.00 0.00 C ATOM 1071 C ILE A 69 -0.120 -6.977 -1.103 1.00 0.00 C ATOM 1072 O ILE A 69 -0.517 -6.742 -2.247 1.00 0.00 O ATOM 1073 CB ILE A 69 1.045 -4.929 -0.247 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.366 -4.380 0.291 1.00 0.00 C ATOM 1075 CG2 ILE A 69 -0.070 -4.726 0.773 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.329 -2.906 0.616 1.00 0.00 C ATOM 0 H ILE A 69 2.369 -5.879 -2.248 1.00 0.00 H new ATOM 0 HA ILE A 69 1.486 -6.961 0.309 1.00 0.00 H new ATOM 0 HB ILE A 69 0.775 -4.386 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.639 -4.933 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.150 -4.560 -0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.164 -3.665 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.010 -5.093 0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.166 -5.275 1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.303 -2.592 0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.088 -2.341 -0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.570 -2.720 1.375 1.00 0.00 H new ATOM 1088 N THR A 70 -0.795 -7.707 -0.234 1.00 0.00 N ATOM 1089 CA THR A 70 -2.066 -8.321 -0.559 1.00 0.00 C ATOM 1090 C THR A 70 -3.195 -7.580 0.154 1.00 0.00 C ATOM 1091 O THR A 70 -3.161 -7.409 1.376 1.00 0.00 O ATOM 1092 CB THR A 70 -2.059 -9.802 -0.143 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.862 -10.425 -0.634 1.00 0.00 O ATOM 1094 CG2 THR A 70 -3.274 -10.537 -0.688 1.00 0.00 C ATOM 0 H THR A 70 -0.476 -7.890 0.717 1.00 0.00 H new ATOM 0 HA THR A 70 -2.226 -8.261 -1.636 1.00 0.00 H new ATOM 0 HB THR A 70 -2.093 -9.853 0.945 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.852 -11.369 -0.370 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.238 -11.581 -0.376 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.182 -10.074 -0.303 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.273 -10.484 -1.777 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.179 -7.124 -0.609 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.266 -6.331 -0.056 1.00 0.00 C ATOM 1104 C VAL A 71 -6.625 -6.903 -0.438 1.00 0.00 C ATOM 1105 O VAL A 71 -6.741 -7.699 -1.374 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.198 -4.858 -0.524 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -3.920 -4.192 -0.036 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.307 -4.766 -2.039 1.00 0.00 C ATOM 0 H VAL A 71 -4.246 -7.290 -1.613 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.149 -6.368 1.027 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.045 -4.327 -0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.896 -3.157 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.891 -4.215 1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.057 -4.726 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.257 -3.721 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.486 -5.318 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.256 -5.193 -2.362 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.638 -6.494 0.305 1.00 0.00 N ATOM 1119 CA HIS A 72 -9.014 -6.862 0.023 1.00 0.00 C ATOM 1120 C HIS A 72 -9.856 -5.599 -0.097 1.00 0.00 C ATOM 1121 O HIS A 72 -9.928 -4.805 0.843 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.555 -7.771 1.137 1.00 0.00 C ATOM 1123 CG HIS A 72 -11.004 -8.133 0.995 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -11.418 -9.095 0.108 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -12.085 -7.641 1.650 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -12.730 -9.168 0.241 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -13.181 -8.306 1.165 1.00 0.00 N ATOM 0 H HIS A 72 -7.529 -5.895 1.124 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.062 -7.411 -0.917 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.965 -8.687 1.160 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.410 -7.275 2.096 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.083 -6.872 2.409 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.361 -9.838 -0.324 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -14.151 -8.172 1.451 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.465 -5.406 -1.261 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.268 -4.218 -1.518 1.00 0.00 C ATOM 1137 C ILE A 73 -12.476 -4.175 -0.593 1.00 0.00 C ATOM 1138 O ILE A 73 -13.192 -5.164 -0.439 1.00 0.00 O ATOM 1139 CB ILE A 73 -11.745 -4.153 -2.986 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.543 -4.132 -3.932 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -12.623 -2.929 -3.215 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -10.925 -4.038 -5.395 1.00 0.00 C ATOM 0 H ILE A 73 -10.417 -6.059 -2.043 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.630 -3.355 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.340 -5.042 -3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.905 -3.286 -3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.953 -5.035 -3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.947 -2.903 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.496 -2.980 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.055 -2.026 -2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.023 -4.028 -6.007 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.538 -4.897 -5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -11.489 -3.121 -5.566 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.700 -3.020 0.012 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.798 -2.838 0.946 1.00 0.00 C ATOM 1156 C LEU A 74 -15.050 -2.393 0.219 1.00 0.00 C ATOM 1157 O LEU A 74 -15.700 -1.415 0.593 1.00 0.00 O ATOM 1158 CB LEU A 74 -13.416 -1.825 2.015 1.00 0.00 C ATOM 1159 CG LEU A 74 -12.254 -2.261 2.901 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -12.049 -1.281 4.044 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -12.508 -3.664 3.430 1.00 0.00 C ATOM 0 H LEU A 74 -12.129 -2.187 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 74 -14.004 -3.794 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.156 -0.883 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.285 -1.631 2.644 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.342 -2.271 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.215 -1.613 4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.831 -0.292 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.954 -1.234 4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.675 -3.971 4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.429 -3.672 4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.603 -4.357 2.594 1.00 0.00 H new