USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 460 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 13 GLN : amide:sc= 0.275 K(o=0.28,f=-0.78) USER MOD Set 1.2: A 17 GLN : amide:sc= 0 X(o=0.28,f=-0.12) USER MOD Single : A 4 ASN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.677 X(o=-0.68,f=-0.44) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= 0.729 (180deg=0.268) USER MOD Single : A 19 LYS NZ :NH3+ -107:sc= 0.325 (180deg=-0.0289) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 0.906 K(o=0.91,f=0) USER MOD Single : A 27 SER OG : rot -44:sc= 0.0621 USER MOD Single : A3291 THR OG1 : rot 180:sc= 0 USER MOD Single : A3295 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A3299 SER OG : rot 180:sc= 0 USER MOD Single : A3301 GLN : amide:sc= -0.405 X(o=-0.4,f=0) USER MOD Single : A3302 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00891) USER MOD Single : A3306 ASN : amide:sc= -0.08 X(o=-0.08,f=0) USER MOD Single : A3308 SER OG : rot 180:sc= 0 USER MOD Single : A3315 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A3317 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N ILE A 3 -22.813 9.849 -3.989 1.00 0.00 N ATOM 33 CA ILE A 3 -21.579 9.468 -4.649 1.00 0.00 C ATOM 34 C ILE A 3 -20.964 8.255 -3.925 1.00 0.00 C ATOM 35 O ILE A 3 -21.051 8.134 -2.696 1.00 0.00 O ATOM 36 CB ILE A 3 -20.671 10.720 -4.731 1.00 0.00 C ATOM 37 CG1 ILE A 3 -19.597 10.616 -5.831 1.00 0.00 C ATOM 38 CG2 ILE A 3 -20.035 11.080 -3.377 1.00 0.00 C ATOM 39 CD1 ILE A 3 -20.166 10.850 -7.235 1.00 0.00 C ATOM 0 HA ILE A 3 -21.737 9.134 -5.675 1.00 0.00 H new ATOM 0 HB ILE A 3 -21.337 11.536 -5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -18.811 11.345 -5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -19.135 9.630 -5.790 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -19.409 11.965 -3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -20.820 11.284 -2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -19.425 10.247 -3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -19.366 10.765 -7.971 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -20.933 10.105 -7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -20.604 11.847 -7.289 1.00 0.00 H new ATOM 51 N ASN A 4 -20.324 7.374 -4.692 1.00 0.00 N ATOM 52 CA ASN A 4 -19.652 6.156 -4.233 1.00 0.00 C ATOM 53 C ASN A 4 -18.211 6.163 -4.701 1.00 0.00 C ATOM 54 O ASN A 4 -17.345 5.798 -3.920 1.00 0.00 O ATOM 55 CB ASN A 4 -20.333 4.869 -4.694 1.00 0.00 C ATOM 56 CG ASN A 4 -20.620 4.860 -6.182 1.00 0.00 C ATOM 57 OD1 ASN A 4 -21.657 5.345 -6.620 1.00 0.00 O ATOM 58 ND2 ASN A 4 -19.687 4.410 -6.996 1.00 0.00 N ATOM 0 H ASN A 4 -20.256 7.495 -5.702 1.00 0.00 H new ATOM 0 HA ASN A 4 -19.707 6.164 -3.144 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -19.699 4.018 -4.445 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -21.267 4.741 -4.147 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -19.822 4.463 -8.006 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -18.829 4.009 -6.617 1.00 0.00 H new ATOM 65 N GLU A 5 -17.927 6.680 -5.897 1.00 0.00 N ATOM 66 CA GLU A 5 -16.577 6.763 -6.464 1.00 0.00 C ATOM 67 C GLU A 5 -15.708 7.579 -5.507 1.00 0.00 C ATOM 68 O GLU A 5 -14.548 7.278 -5.244 1.00 0.00 O ATOM 69 CB GLU A 5 -16.670 7.445 -7.837 1.00 0.00 C ATOM 70 CG GLU A 5 -17.300 6.479 -8.851 1.00 0.00 C ATOM 71 CD GLU A 5 -17.783 7.120 -10.147 1.00 0.00 C ATOM 72 OE1 GLU A 5 -18.109 8.333 -10.169 1.00 0.00 O ATOM 73 OE2 GLU A 5 -17.932 6.361 -11.130 1.00 0.00 O ATOM 0 H GLU A 5 -18.644 7.062 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 5 -16.135 5.775 -6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.269 8.353 -7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.677 7.745 -8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.569 5.708 -9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -18.144 5.979 -8.376 1.00 0.00 H new ATOM 80 N GLN A 6 -16.308 8.627 -4.954 1.00 0.00 N ATOM 81 CA GLN A 6 -15.649 9.507 -3.998 1.00 0.00 C ATOM 82 C GLN A 6 -15.596 8.846 -2.625 1.00 0.00 C ATOM 83 O GLN A 6 -14.700 9.145 -1.846 1.00 0.00 O ATOM 84 CB GLN A 6 -16.324 10.878 -3.981 1.00 0.00 C ATOM 85 CG GLN A 6 -15.758 11.795 -5.074 1.00 0.00 C ATOM 86 CD GLN A 6 -15.584 11.137 -6.447 1.00 0.00 C ATOM 87 OE1 GLN A 6 -14.533 10.586 -6.753 1.00 0.00 O ATOM 88 NE2 GLN A 6 -16.600 11.143 -7.291 1.00 0.00 N ATOM 0 H GLN A 6 -17.272 8.891 -5.158 1.00 0.00 H new ATOM 0 HA GLN A 6 -14.617 9.676 -4.305 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -17.398 10.758 -4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.183 11.343 -3.005 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.417 12.656 -5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -14.791 12.174 -4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.474 11.602 -7.034 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.511 10.688 -8.200 1.00 0.00 H new ATOM 97 N THR A 7 -16.550 7.985 -2.283 1.00 0.00 N ATOM 98 CA THR A 7 -16.533 7.300 -0.998 1.00 0.00 C ATOM 99 C THR A 7 -15.357 6.330 -0.959 1.00 0.00 C ATOM 100 O THR A 7 -14.696 6.266 0.072 1.00 0.00 O ATOM 101 CB THR A 7 -17.824 6.528 -0.755 1.00 0.00 C ATOM 102 OG1 THR A 7 -18.919 7.419 -0.827 1.00 0.00 O ATOM 103 CG2 THR A 7 -17.768 5.837 0.606 1.00 0.00 C ATOM 0 H THR A 7 -17.343 7.746 -2.878 1.00 0.00 H new ATOM 0 HA THR A 7 -16.435 8.053 -0.217 1.00 0.00 H new ATOM 0 HB THR A 7 -17.947 5.760 -1.519 1.00 0.00 H new ATOM 0 HG1 THR A 7 -19.752 6.927 -0.673 1.00 0.00 H new ATOM 0 HG21 THR A 7 -18.694 5.287 0.773 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.926 5.145 0.628 1.00 0.00 H new ATOM 0 HG23 THR A 7 -17.644 6.585 1.389 1.00 0.00 H new ATOM 111 N LEU A 8 -15.004 5.688 -2.082 1.00 0.00 N ATOM 112 CA LEU A 8 -13.907 4.735 -2.166 1.00 0.00 C ATOM 113 C LEU A 8 -12.645 5.384 -1.616 1.00 0.00 C ATOM 114 O LEU A 8 -11.799 4.688 -1.079 1.00 0.00 O ATOM 115 CB LEU A 8 -13.585 4.340 -3.618 1.00 0.00 C ATOM 116 CG LEU A 8 -14.718 4.005 -4.598 1.00 0.00 C ATOM 117 CD1 LEU A 8 -14.112 3.551 -5.925 1.00 0.00 C ATOM 118 CD2 LEU A 8 -15.716 2.958 -4.113 1.00 0.00 C ATOM 0 H LEU A 8 -15.487 5.825 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.212 3.852 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.011 5.157 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.926 3.473 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.295 4.924 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.911 3.311 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.496 4.351 -6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.496 2.667 -5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.474 2.796 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.194 2.022 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.194 3.307 -3.198 1.00 0.00 H new ATOM 130 N ASP A 9 -12.517 6.709 -1.734 1.00 0.00 N ATOM 131 CA ASP A 9 -11.381 7.490 -1.267 1.00 0.00 C ATOM 132 C ASP A 9 -11.092 7.180 0.208 1.00 0.00 C ATOM 133 O ASP A 9 -9.936 6.927 0.562 1.00 0.00 O ATOM 134 CB ASP A 9 -11.678 8.982 -1.451 1.00 0.00 C ATOM 135 CG ASP A 9 -10.434 9.850 -1.304 1.00 0.00 C ATOM 136 OD1 ASP A 9 -9.828 9.860 -0.210 1.00 0.00 O ATOM 137 OD2 ASP A 9 -10.090 10.561 -2.273 1.00 0.00 O ATOM 0 H ASP A 9 -13.234 7.284 -2.176 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.499 7.226 -1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.114 9.143 -2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.422 9.293 -0.718 1.00 0.00 H new ATOM 142 N LYS A 10 -12.124 7.154 1.070 1.00 0.00 N ATOM 143 CA LYS A 10 -11.934 6.859 2.496 1.00 0.00 C ATOM 144 C LYS A 10 -11.524 5.404 2.706 1.00 0.00 C ATOM 145 O LYS A 10 -10.955 5.060 3.745 1.00 0.00 O ATOM 146 CB LYS A 10 -13.169 7.214 3.357 1.00 0.00 C ATOM 147 CG LYS A 10 -14.261 6.134 3.379 1.00 0.00 C ATOM 148 CD LYS A 10 -15.442 6.410 4.291 1.00 0.00 C ATOM 149 CE LYS A 10 -15.103 6.247 5.774 1.00 0.00 C ATOM 150 NZ LYS A 10 -16.324 6.293 6.601 1.00 0.00 N ATOM 0 H LYS A 10 -13.092 7.333 0.803 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.123 7.503 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.841 7.403 4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.601 8.143 2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.634 5.999 2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.806 5.190 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.800 7.424 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.258 5.735 4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.588 5.299 5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.419 7.037 6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.069 6.180 7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.801 7.207 6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.964 5.524 6.318 1.00 0.00 H new ATOM 164 N LEU A 11 -11.943 4.512 1.812 1.00 0.00 N ATOM 165 CA LEU A 11 -11.649 3.094 1.887 1.00 0.00 C ATOM 166 C LEU A 11 -10.200 2.859 1.476 1.00 0.00 C ATOM 167 O LEU A 11 -9.438 2.260 2.225 1.00 0.00 O ATOM 168 CB LEU A 11 -12.613 2.278 1.007 1.00 0.00 C ATOM 169 CG LEU A 11 -14.074 2.057 1.446 1.00 0.00 C ATOM 170 CD1 LEU A 11 -14.244 1.611 2.896 1.00 0.00 C ATOM 171 CD2 LEU A 11 -14.984 3.250 1.189 1.00 0.00 C ATOM 0 H LEU A 11 -12.507 4.766 1.001 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.789 2.756 2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.640 2.758 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.166 1.294 0.867 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.384 1.234 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.304 1.481 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.723 0.666 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.827 2.367 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.994 3.016 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.611 4.116 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.999 3.473 0.122 1.00 0.00 H new ATOM 183 N ARG A 12 -9.769 3.329 0.306 1.00 0.00 N ATOM 184 CA ARG A 12 -8.397 3.123 -0.168 1.00 0.00 C ATOM 185 C ARG A 12 -7.389 3.700 0.793 1.00 0.00 C ATOM 186 O ARG A 12 -6.433 3.012 1.128 1.00 0.00 O ATOM 187 CB ARG A 12 -8.182 3.571 -1.615 1.00 0.00 C ATOM 188 CG ARG A 12 -8.920 4.830 -2.072 1.00 0.00 C ATOM 189 CD ARG A 12 -8.003 5.949 -2.524 1.00 0.00 C ATOM 190 NE ARG A 12 -7.887 7.001 -1.491 1.00 0.00 N ATOM 191 CZ ARG A 12 -7.016 8.014 -1.479 1.00 0.00 C ATOM 192 NH1 ARG A 12 -5.904 7.977 -2.194 1.00 0.00 N ATOM 193 NH2 ARG A 12 -7.244 9.075 -0.719 1.00 0.00 N ATOM 0 H ARG A 12 -10.355 3.860 -0.338 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.230 2.046 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.114 3.732 -1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.475 2.751 -2.270 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.590 4.569 -2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.543 5.192 -1.254 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.015 5.545 -2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.385 6.384 -3.448 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.538 6.948 -0.708 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.696 7.162 -2.771 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.255 8.763 -2.168 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.085 9.119 -0.143 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.579 9.848 -0.710 1.00 0.00 H new ATOM 207 N GLN A 13 -7.617 4.904 1.304 1.00 0.00 N ATOM 208 CA GLN A 13 -6.708 5.507 2.265 1.00 0.00 C ATOM 209 C GLN A 13 -6.613 4.635 3.539 1.00 0.00 C ATOM 210 O GLN A 13 -5.567 4.579 4.184 1.00 0.00 O ATOM 211 CB GLN A 13 -7.091 6.973 2.495 1.00 0.00 C ATOM 212 CG GLN A 13 -8.385 7.156 3.284 1.00 0.00 C ATOM 213 CD GLN A 13 -8.177 7.102 4.799 1.00 0.00 C ATOM 214 OE1 GLN A 13 -7.233 7.666 5.359 1.00 0.00 O ATOM 215 NE2 GLN A 13 -9.007 6.338 5.481 1.00 0.00 N ATOM 0 H GLN A 13 -8.425 5.480 1.067 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.691 5.534 1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.280 7.472 3.025 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.192 7.468 1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.833 8.114 3.019 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.094 6.381 2.993 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.783 5.877 5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.873 6.207 6.484 1.00 0.00 H new ATOM 224 N ALA A 14 -7.683 3.926 3.919 1.00 0.00 N ATOM 225 CA ALA A 14 -7.676 3.059 5.090 1.00 0.00 C ATOM 226 C ALA A 14 -6.803 1.837 4.785 1.00 0.00 C ATOM 227 O ALA A 14 -5.985 1.422 5.610 1.00 0.00 O ATOM 228 CB ALA A 14 -9.108 2.631 5.425 1.00 0.00 C ATOM 0 H ALA A 14 -8.573 3.941 3.421 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.269 3.588 5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.098 1.983 6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.712 3.514 5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.534 2.091 4.579 1.00 0.00 H new ATOM 234 N VAL A 15 -6.969 1.258 3.594 1.00 0.00 N ATOM 235 CA VAL A 15 -6.216 0.093 3.141 1.00 0.00 C ATOM 236 C VAL A 15 -4.735 0.458 2.965 1.00 0.00 C ATOM 237 O VAL A 15 -3.853 -0.327 3.316 1.00 0.00 O ATOM 238 CB VAL A 15 -6.857 -0.466 1.855 1.00 0.00 C ATOM 239 CG1 VAL A 15 -6.117 -1.681 1.286 1.00 0.00 C ATOM 240 CG2 VAL A 15 -8.297 -0.879 2.127 1.00 0.00 C ATOM 0 H VAL A 15 -7.644 1.594 2.907 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.254 -0.698 3.890 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.803 0.338 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.621 -2.023 0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.091 -1.402 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.112 -2.483 2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.741 -1.273 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.315 -1.648 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.867 -0.013 2.464 1.00 0.00 H new ATOM 250 N LEU A 16 -4.430 1.657 2.463 1.00 0.00 N ATOM 251 CA LEU A 16 -3.046 2.088 2.273 1.00 0.00 C ATOM 252 C LEU A 16 -2.381 2.232 3.640 1.00 0.00 C ATOM 253 O LEU A 16 -1.273 1.735 3.808 1.00 0.00 O ATOM 254 CB LEU A 16 -2.893 3.282 1.299 1.00 0.00 C ATOM 255 CG LEU A 16 -3.075 4.731 1.778 1.00 0.00 C ATOM 256 CD1 LEU A 16 -1.827 5.326 2.431 1.00 0.00 C ATOM 257 CD2 LEU A 16 -3.506 5.621 0.591 1.00 0.00 C ATOM 0 H LEU A 16 -5.126 2.347 2.181 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.490 1.318 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.895 3.213 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.604 3.124 0.488 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.847 4.705 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.033 6.350 2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.552 4.730 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.005 5.323 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.634 6.648 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.740 5.590 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.448 5.254 0.184 1.00 0.00 H new ATOM 269 N GLN A 17 -3.075 2.779 4.651 1.00 0.00 N ATOM 270 CA GLN A 17 -2.496 2.939 5.985 1.00 0.00 C ATOM 271 C GLN A 17 -2.003 1.607 6.557 1.00 0.00 C ATOM 272 O GLN A 17 -0.844 1.526 6.974 1.00 0.00 O ATOM 273 CB GLN A 17 -3.490 3.621 6.935 1.00 0.00 C ATOM 274 CG GLN A 17 -3.421 5.140 6.749 1.00 0.00 C ATOM 275 CD GLN A 17 -4.175 5.921 7.819 1.00 0.00 C ATOM 276 OE1 GLN A 17 -4.147 5.572 8.999 1.00 0.00 O ATOM 277 NE2 GLN A 17 -4.855 6.997 7.465 1.00 0.00 N ATOM 0 H GLN A 17 -4.034 3.115 4.566 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.624 3.586 5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.501 3.266 6.735 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.259 3.360 7.968 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.376 5.451 6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.827 5.397 5.770 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.879 7.287 6.487 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.356 7.538 8.169 1.00 0.00 H new ATOM 286 N LYS A 18 -2.800 0.528 6.551 1.00 0.00 N ATOM 287 CA LYS A 18 -2.287 -0.732 7.069 1.00 0.00 C ATOM 288 C LYS A 18 -1.195 -1.289 6.165 1.00 0.00 C ATOM 289 O LYS A 18 -0.202 -1.786 6.681 1.00 0.00 O ATOM 290 CB LYS A 18 -3.425 -1.710 7.266 1.00 0.00 C ATOM 291 CG LYS A 18 -4.268 -1.901 5.995 1.00 0.00 C ATOM 292 CD LYS A 18 -5.659 -2.391 6.330 1.00 0.00 C ATOM 293 CE LYS A 18 -5.746 -3.920 6.379 1.00 0.00 C ATOM 294 NZ LYS A 18 -4.749 -4.626 7.220 1.00 0.00 N ATOM 0 H LYS A 18 -3.760 0.506 6.208 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.827 -0.558 8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.021 -2.673 7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.067 -1.357 8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.333 -0.957 5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.777 -2.615 5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.963 -1.982 7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.362 -2.014 5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.740 -4.191 6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.657 -4.297 5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.106 -5.573 7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.854 -4.715 6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.587 -4.086 8.094 1.00 0.00 H new ATOM 308 N LYS A 19 -1.304 -1.138 4.841 1.00 0.00 N ATOM 309 CA LYS A 19 -0.300 -1.635 3.901 1.00 0.00 C ATOM 310 C LYS A 19 1.086 -1.095 4.231 1.00 0.00 C ATOM 311 O LYS A 19 2.059 -1.811 4.008 1.00 0.00 O ATOM 312 CB LYS A 19 -0.718 -1.361 2.448 1.00 0.00 C ATOM 313 CG LYS A 19 -1.349 -2.627 1.850 1.00 0.00 C ATOM 314 CD LYS A 19 -2.334 -2.309 0.723 1.00 0.00 C ATOM 315 CE LYS A 19 -2.770 -3.562 -0.042 1.00 0.00 C ATOM 316 NZ LYS A 19 -3.259 -4.669 0.813 1.00 0.00 N ATOM 0 H LYS A 19 -2.091 -0.668 4.393 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.239 -2.718 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.429 -0.536 2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.149 -1.061 1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.562 -3.277 1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.865 -3.179 2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.213 -1.817 1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.874 -1.605 0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.558 -3.287 -0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.928 -3.922 -0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.548 -5.428 0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.424 -4.316 1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.148 -5.042 0.424 1.00 0.00 H new ATOM 330 N ILE A 20 1.211 0.100 4.822 1.00 0.00 N ATOM 331 CA ILE A 20 2.499 0.667 5.199 1.00 0.00 C ATOM 332 C ILE A 20 3.168 -0.278 6.206 1.00 0.00 C ATOM 333 O ILE A 20 4.355 -0.573 6.099 1.00 0.00 O ATOM 334 CB ILE A 20 2.338 2.089 5.798 1.00 0.00 C ATOM 335 CG1 ILE A 20 1.457 3.054 4.973 1.00 0.00 C ATOM 336 CG2 ILE A 20 3.718 2.728 6.033 1.00 0.00 C ATOM 337 CD1 ILE A 20 1.601 2.936 3.455 1.00 0.00 C ATOM 0 H ILE A 20 0.416 0.697 5.050 1.00 0.00 H new ATOM 0 HA ILE A 20 3.124 0.767 4.312 1.00 0.00 H new ATOM 0 HB ILE A 20 1.810 1.938 6.739 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.413 2.882 5.237 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.695 4.077 5.265 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.590 3.725 6.453 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.291 2.112 6.727 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.252 2.799 5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.941 3.655 2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.633 3.141 3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.331 1.928 3.141 1.00 0.00 H new ATOM 349 N LYS A 21 2.392 -0.736 7.191 1.00 0.00 N ATOM 350 CA LYS A 21 2.783 -1.649 8.263 1.00 0.00 C ATOM 351 C LYS A 21 3.013 -3.053 7.715 1.00 0.00 C ATOM 352 O LYS A 21 3.790 -3.813 8.281 1.00 0.00 O ATOM 353 CB LYS A 21 1.639 -1.816 9.279 1.00 0.00 C ATOM 354 CG LYS A 21 0.853 -0.532 9.588 1.00 0.00 C ATOM 355 CD LYS A 21 -0.249 -0.811 10.607 1.00 0.00 C ATOM 356 CE LYS A 21 -1.200 0.390 10.691 1.00 0.00 C ATOM 357 NZ LYS A 21 -2.020 0.375 11.919 1.00 0.00 N ATOM 0 H LYS A 21 1.413 -0.461 7.264 1.00 0.00 H new ATOM 0 HA LYS A 21 3.681 -1.227 8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.945 -2.567 8.902 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.053 -2.203 10.210 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.529 0.231 9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.417 -0.136 8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.803 -1.705 10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.190 -1.007 11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.620 1.312 10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.855 0.393 9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.645 1.206 11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.595 -0.491 11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.398 0.400 12.752 1.00 0.00 H new ATOM 371 N GLU A 22 2.319 -3.423 6.643 1.00 0.00 N ATOM 372 CA GLU A 22 2.435 -4.753 6.073 1.00 0.00 C ATOM 373 C GLU A 22 3.747 -4.858 5.316 1.00 0.00 C ATOM 374 O GLU A 22 4.524 -5.766 5.597 1.00 0.00 O ATOM 375 CB GLU A 22 1.205 -5.102 5.219 1.00 0.00 C ATOM 376 CG GLU A 22 -0.061 -5.166 6.104 1.00 0.00 C ATOM 377 CD GLU A 22 -1.355 -5.541 5.361 1.00 0.00 C ATOM 378 OE1 GLU A 22 -2.387 -4.831 5.503 1.00 0.00 O ATOM 379 OE2 GLU A 22 -1.336 -6.559 4.628 1.00 0.00 O ATOM 0 H GLU A 22 1.667 -2.812 6.151 1.00 0.00 H new ATOM 0 HA GLU A 22 2.454 -5.498 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.073 -4.355 4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.359 -6.060 4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.107 -5.892 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.202 -4.196 6.581 1.00 0.00 H new ATOM 386 N ARG A 23 4.051 -3.897 4.439 1.00 0.00 N ATOM 387 CA ARG A 23 5.296 -3.931 3.668 1.00 0.00 C ATOM 388 C ARG A 23 6.526 -3.817 4.557 1.00 0.00 C ATOM 389 O ARG A 23 7.582 -4.304 4.185 1.00 0.00 O ATOM 390 CB ARG A 23 5.286 -2.911 2.517 1.00 0.00 C ATOM 391 CG ARG A 23 5.105 -1.436 2.908 1.00 0.00 C ATOM 392 CD ARG A 23 6.403 -0.692 3.203 1.00 0.00 C ATOM 393 NE ARG A 23 7.300 -0.712 2.024 1.00 0.00 N ATOM 394 CZ ARG A 23 8.453 -1.386 1.863 1.00 0.00 C ATOM 395 NH1 ARG A 23 9.002 -2.111 2.833 1.00 0.00 N ATOM 396 NH2 ARG A 23 9.075 -1.357 0.696 1.00 0.00 N ATOM 0 H ARG A 23 3.456 -3.091 4.246 1.00 0.00 H new ATOM 0 HA ARG A 23 5.358 -4.914 3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.224 -3.006 1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.486 -3.182 1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.582 -0.922 2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.464 -1.383 3.788 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.182 0.339 3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.905 -1.150 4.055 1.00 0.00 H new ATOM 0 HE ARG A 23 7.005 -0.141 1.232 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.547 -2.172 3.744 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.878 -2.606 2.666 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.680 -0.824 -0.079 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.949 -1.867 0.571 1.00 0.00 H new ATOM 410 N ILE A 24 6.458 -3.114 5.686 1.00 0.00 N ATOM 411 CA ILE A 24 7.603 -2.996 6.589 1.00 0.00 C ATOM 412 C ILE A 24 7.757 -4.268 7.429 1.00 0.00 C ATOM 413 O ILE A 24 8.864 -4.783 7.564 1.00 0.00 O ATOM 414 CB ILE A 24 7.487 -1.731 7.470 1.00 0.00 C ATOM 415 CG1 ILE A 24 8.725 -1.563 8.374 1.00 0.00 C ATOM 416 CG2 ILE A 24 6.206 -1.720 8.314 1.00 0.00 C ATOM 417 CD1 ILE A 24 8.550 -0.449 9.405 1.00 0.00 C ATOM 0 H ILE A 24 5.623 -2.618 5.998 1.00 0.00 H new ATOM 0 HA ILE A 24 8.507 -2.885 5.991 1.00 0.00 H new ATOM 0 HB ILE A 24 7.435 -0.884 6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.925 -2.502 8.889 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.596 -1.347 7.755 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.173 -0.811 8.914 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.337 -1.752 7.657 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.196 -2.589 8.972 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.450 -0.373 10.015 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.378 0.497 8.892 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.697 -0.675 10.044 1.00 0.00 H new ATOM 429 N GLN A 25 6.659 -4.782 7.994 1.00 0.00 N ATOM 430 CA GLN A 25 6.722 -5.954 8.852 1.00 0.00 C ATOM 431 C GLN A 25 7.025 -7.237 8.095 1.00 0.00 C ATOM 432 O GLN A 25 7.913 -7.985 8.497 1.00 0.00 O ATOM 433 CB GLN A 25 5.368 -6.083 9.562 1.00 0.00 C ATOM 434 CG GLN A 25 5.352 -7.164 10.642 1.00 0.00 C ATOM 435 CD GLN A 25 3.920 -7.604 10.933 1.00 0.00 C ATOM 436 OE1 GLN A 25 3.451 -8.626 10.439 1.00 0.00 O ATOM 437 NE2 GLN A 25 3.185 -6.859 11.739 1.00 0.00 N ATOM 0 H GLN A 25 5.721 -4.401 7.869 1.00 0.00 H new ATOM 0 HA GLN A 25 7.541 -5.816 9.557 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.109 -5.125 10.013 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.598 -6.306 8.823 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.943 -8.020 10.317 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.815 -6.784 11.553 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.577 -6.011 12.148 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.226 -7.132 11.952 1.00 0.00 H new ATOM 446 N ASN A 26 6.315 -7.481 6.995 1.00 0.00 N ATOM 447 CA ASN A 26 6.520 -8.694 6.221 1.00 0.00 C ATOM 448 C ASN A 26 7.799 -8.535 5.409 1.00 0.00 C ATOM 449 O ASN A 26 8.683 -9.385 5.501 1.00 0.00 O ATOM 450 CB ASN A 26 5.317 -8.969 5.309 1.00 0.00 C ATOM 451 CG ASN A 26 4.033 -9.246 6.077 1.00 0.00 C ATOM 452 OD1 ASN A 26 3.697 -10.383 6.376 1.00 0.00 O ATOM 453 ND2 ASN A 26 3.290 -8.213 6.436 1.00 0.00 N ATOM 0 H ASN A 26 5.598 -6.857 6.625 1.00 0.00 H new ATOM 0 HA ASN A 26 6.616 -9.549 6.890 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.163 -8.112 4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.542 -9.823 4.670 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.431 -8.362 6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.576 -7.267 6.184 1.00 0.00 H new ATOM 460 N SER A 27 7.916 -7.420 4.669 1.00 0.00 N ATOM 461 CA SER A 27 9.056 -7.076 3.811 1.00 0.00 C ATOM 462 C SER A 27 9.349 -8.154 2.755 1.00 0.00 C ATOM 463 O SER A 27 10.440 -8.220 2.187 1.00 0.00 O ATOM 464 CB SER A 27 10.255 -6.710 4.699 1.00 0.00 C ATOM 465 OG SER A 27 11.251 -5.984 3.999 1.00 0.00 O ATOM 0 H SER A 27 7.188 -6.706 4.653 1.00 0.00 H new ATOM 0 HA SER A 27 8.811 -6.198 3.212 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.908 -6.119 5.546 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.693 -7.622 5.105 1.00 0.00 H new ATOM 0 HG SER A 27 11.407 -6.401 3.126 1.00 0.00 H new ATOM 834 N ILE A3289 6.435 7.209 7.541 1.00 0.00 N ATOM 835 CA ILE A3289 7.811 7.675 7.481 1.00 0.00 C ATOM 836 C ILE A3289 7.975 8.310 6.100 1.00 0.00 C ATOM 837 O ILE A3289 8.150 7.618 5.095 1.00 0.00 O ATOM 838 CB ILE A3289 8.820 6.541 7.759 1.00 0.00 C ATOM 839 CG1 ILE A3289 8.504 5.769 9.064 1.00 0.00 C ATOM 840 CG2 ILE A3289 10.219 7.175 7.843 1.00 0.00 C ATOM 841 CD1 ILE A3289 9.322 4.479 9.217 1.00 0.00 C ATOM 0 HA ILE A3289 8.023 8.407 8.261 1.00 0.00 H new ATOM 0 HB ILE A3289 8.762 5.811 6.952 1.00 0.00 H new ATOM 0 HG12 ILE A3289 8.698 6.418 9.918 1.00 0.00 H new ATOM 0 HG13 ILE A3289 7.442 5.523 9.085 1.00 0.00 H new ATOM 0 HG21 ILE A3289 10.959 6.399 8.039 1.00 0.00 H new ATOM 0 HG22 ILE A3289 10.452 7.668 6.899 1.00 0.00 H new ATOM 0 HG23 ILE A3289 10.239 7.907 8.650 1.00 0.00 H new ATOM 0 HD11 ILE A3289 9.053 3.986 10.151 1.00 0.00 H new ATOM 0 HD12 ILE A3289 9.110 3.812 8.381 1.00 0.00 H new ATOM 0 HD13 ILE A3289 10.385 4.721 9.227 1.00 0.00 H new ATOM 853 N GLU A3290 7.940 9.633 6.057 1.00 0.00 N ATOM 854 CA GLU A3290 8.041 10.419 4.836 1.00 0.00 C ATOM 855 C GLU A3290 9.369 10.317 4.065 1.00 0.00 C ATOM 856 O GLU A3290 9.492 10.842 2.963 1.00 0.00 O ATOM 857 CB GLU A3290 7.685 11.871 5.175 1.00 0.00 C ATOM 858 CG GLU A3290 6.880 12.409 4.005 1.00 0.00 C ATOM 859 CD GLU A3290 6.517 13.879 4.160 1.00 0.00 C ATOM 860 OE1 GLU A3290 5.446 14.206 4.714 1.00 0.00 O ATOM 861 OE2 GLU A3290 7.287 14.726 3.649 1.00 0.00 O ATOM 0 H GLU A3290 7.838 10.206 6.894 1.00 0.00 H new ATOM 0 HA GLU A3290 7.332 9.988 4.130 1.00 0.00 H new ATOM 0 HB2 GLU A3290 7.107 11.922 6.098 1.00 0.00 H new ATOM 0 HB3 GLU A3290 8.586 12.464 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A3290 7.451 12.276 3.086 1.00 0.00 H new ATOM 0 HG3 GLU A3290 5.966 11.824 3.900 1.00 0.00 H new ATOM 868 N THR A3291 10.373 9.656 4.627 1.00 0.00 N ATOM 869 CA THR A3291 11.691 9.492 4.017 1.00 0.00 C ATOM 870 C THR A3291 12.224 8.071 4.238 1.00 0.00 C ATOM 871 O THR A3291 13.252 7.853 4.885 1.00 0.00 O ATOM 872 CB THR A3291 12.588 10.656 4.488 1.00 0.00 C ATOM 873 OG1 THR A3291 13.859 10.628 3.871 1.00 0.00 O ATOM 874 CG2 THR A3291 12.748 10.778 6.012 1.00 0.00 C ATOM 0 H THR A3291 10.294 9.208 5.540 1.00 0.00 H new ATOM 0 HA THR A3291 11.657 9.567 2.930 1.00 0.00 H new ATOM 0 HB THR A3291 12.047 11.546 4.168 1.00 0.00 H new ATOM 0 HG1 THR A3291 14.396 11.381 4.194 1.00 0.00 H new ATOM 0 HG21 THR A3291 13.395 11.624 6.243 1.00 0.00 H new ATOM 0 HG22 THR A3291 11.771 10.933 6.469 1.00 0.00 H new ATOM 0 HG23 THR A3291 13.192 9.864 6.406 1.00 0.00 H new ATOM 882 N PHE A3292 11.490 7.065 3.761 1.00 0.00 N ATOM 883 CA PHE A3292 11.915 5.674 3.913 1.00 0.00 C ATOM 884 C PHE A3292 11.343 4.793 2.810 1.00 0.00 C ATOM 885 O PHE A3292 12.079 4.113 2.100 1.00 0.00 O ATOM 886 CB PHE A3292 11.506 5.179 5.309 1.00 0.00 C ATOM 887 CG PHE A3292 12.100 3.841 5.710 1.00 0.00 C ATOM 888 CD1 PHE A3292 13.193 3.797 6.596 1.00 0.00 C ATOM 889 CD2 PHE A3292 11.578 2.639 5.193 1.00 0.00 C ATOM 890 CE1 PHE A3292 13.796 2.568 6.912 1.00 0.00 C ATOM 891 CE2 PHE A3292 12.167 1.407 5.528 1.00 0.00 C ATOM 892 CZ PHE A3292 13.296 1.376 6.362 1.00 0.00 C ATOM 0 H PHE A3292 10.604 7.186 3.270 1.00 0.00 H new ATOM 0 HA PHE A3292 12.999 5.615 3.819 1.00 0.00 H new ATOM 0 HB2 PHE A3292 11.801 5.927 6.045 1.00 0.00 H new ATOM 0 HB3 PHE A3292 10.419 5.105 5.349 1.00 0.00 H new ATOM 0 HD1 PHE A3292 13.569 4.710 7.034 1.00 0.00 H new ATOM 0 HD2 PHE A3292 10.721 2.664 4.536 1.00 0.00 H new ATOM 0 HE1 PHE A3292 14.645 2.540 7.579 1.00 0.00 H new ATOM 0 HE2 PHE A3292 11.752 0.487 5.145 1.00 0.00 H new ATOM 0 HZ PHE A3292 13.780 0.436 6.581 1.00 0.00 H new ATOM 902 N PHE A3293 10.020 4.793 2.679 1.00 0.00 N ATOM 903 CA PHE A3293 9.274 4.013 1.699 1.00 0.00 C ATOM 904 C PHE A3293 8.381 4.922 0.860 1.00 0.00 C ATOM 905 O PHE A3293 7.453 4.422 0.244 1.00 0.00 O ATOM 906 CB PHE A3293 8.490 2.875 2.404 1.00 0.00 C ATOM 907 CG PHE A3293 7.891 3.211 3.765 1.00 0.00 C ATOM 908 CD1 PHE A3293 8.018 2.305 4.838 1.00 0.00 C ATOM 909 CD2 PHE A3293 7.226 4.435 3.978 1.00 0.00 C ATOM 910 CE1 PHE A3293 7.505 2.631 6.106 1.00 0.00 C ATOM 911 CE2 PHE A3293 6.712 4.757 5.240 1.00 0.00 C ATOM 912 CZ PHE A3293 6.854 3.860 6.312 1.00 0.00 C ATOM 0 H PHE A3293 9.416 5.358 3.276 1.00 0.00 H new ATOM 0 HA PHE A3293 9.969 3.536 1.007 1.00 0.00 H new ATOM 0 HB2 PHE A3293 7.683 2.556 1.744 1.00 0.00 H new ATOM 0 HB3 PHE A3293 9.159 2.023 2.525 1.00 0.00 H new ATOM 0 HD1 PHE A3293 8.511 1.357 4.685 1.00 0.00 H new ATOM 0 HD2 PHE A3293 7.112 5.131 3.160 1.00 0.00 H new ATOM 0 HE1 PHE A3293 7.611 1.935 6.925 1.00 0.00 H new ATOM 0 HE2 PHE A3293 6.204 5.698 5.390 1.00 0.00 H new ATOM 0 HZ PHE A3293 6.466 4.113 7.288 1.00 0.00 H new ATOM 922 N ALA A3294 8.610 6.238 0.826 1.00 0.00 N ATOM 923 CA ALA A3294 7.785 7.178 0.061 1.00 0.00 C ATOM 924 C ALA A3294 7.604 6.732 -1.397 1.00 0.00 C ATOM 925 O ALA A3294 6.550 6.943 -1.995 1.00 0.00 O ATOM 926 CB ALA A3294 8.406 8.573 0.126 1.00 0.00 C ATOM 0 H ALA A3294 9.376 6.683 1.331 1.00 0.00 H new ATOM 0 HA ALA A3294 6.792 7.200 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A3294 7.792 9.271 -0.443 1.00 0.00 H new ATOM 0 HB2 ALA A3294 8.459 8.900 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A3294 9.410 8.544 -0.297 1.00 0.00 H new ATOM 932 N GLN A3295 8.631 6.101 -1.963 1.00 0.00 N ATOM 933 CA GLN A3295 8.648 5.590 -3.335 1.00 0.00 C ATOM 934 C GLN A3295 7.714 4.385 -3.480 1.00 0.00 C ATOM 935 O GLN A3295 7.083 4.177 -4.507 1.00 0.00 O ATOM 936 CB GLN A3295 10.078 5.149 -3.667 1.00 0.00 C ATOM 937 CG GLN A3295 11.143 6.229 -3.443 1.00 0.00 C ATOM 938 CD GLN A3295 11.200 7.263 -4.560 1.00 0.00 C ATOM 939 OE1 GLN A3295 12.127 7.234 -5.362 1.00 0.00 O ATOM 940 NE2 GLN A3295 10.283 8.212 -4.632 1.00 0.00 N ATOM 0 H GLN A3295 9.503 5.925 -1.464 1.00 0.00 H new ATOM 0 HA GLN A3295 8.311 6.375 -4.012 1.00 0.00 H new ATOM 0 HB2 GLN A3295 10.327 4.279 -3.059 1.00 0.00 H new ATOM 0 HB3 GLN A3295 10.114 4.831 -4.709 1.00 0.00 H new ATOM 0 HG2 GLN A3295 10.943 6.736 -2.499 1.00 0.00 H new ATOM 0 HG3 GLN A3295 12.119 5.753 -3.349 1.00 0.00 H new ATOM 0 HE21 GLN A3295 9.514 8.230 -3.962 1.00 0.00 H new ATOM 0 HE22 GLN A3295 10.344 8.926 -5.358 1.00 0.00 H new ATOM 949 N ASP A3296 7.659 3.553 -2.449 1.00 0.00 N ATOM 950 CA ASP A3296 6.836 2.356 -2.379 1.00 0.00 C ATOM 951 C ASP A3296 5.388 2.703 -2.044 1.00 0.00 C ATOM 952 O ASP A3296 4.443 2.014 -2.434 1.00 0.00 O ATOM 953 CB ASP A3296 7.437 1.438 -1.303 1.00 0.00 C ATOM 954 CG ASP A3296 8.129 0.229 -1.910 1.00 0.00 C ATOM 955 OD1 ASP A3296 7.634 -0.893 -1.652 1.00 0.00 O ATOM 956 OD2 ASP A3296 9.190 0.377 -2.545 1.00 0.00 O ATOM 0 H ASP A3296 8.210 3.701 -1.604 1.00 0.00 H new ATOM 0 HA ASP A3296 6.827 1.853 -3.346 1.00 0.00 H new ATOM 0 HB2 ASP A3296 8.151 2.002 -0.703 1.00 0.00 H new ATOM 0 HB3 ASP A3296 6.648 1.104 -0.629 1.00 0.00 H new ATOM 961 N ILE A3297 5.207 3.788 -1.301 1.00 0.00 N ATOM 962 CA ILE A3297 3.937 4.313 -0.854 1.00 0.00 C ATOM 963 C ILE A3297 3.096 4.705 -2.058 1.00 0.00 C ATOM 964 O ILE A3297 1.910 4.366 -2.090 1.00 0.00 O ATOM 965 CB ILE A3297 4.220 5.482 0.129 1.00 0.00 C ATOM 966 CG1 ILE A3297 3.990 5.078 1.597 1.00 0.00 C ATOM 967 CG2 ILE A3297 3.468 6.787 -0.184 1.00 0.00 C ATOM 968 CD1 ILE A3297 4.694 3.785 2.017 1.00 0.00 C ATOM 0 H ILE A3297 5.993 4.353 -0.979 1.00 0.00 H new ATOM 0 HA ILE A3297 3.352 3.568 -0.314 1.00 0.00 H new ATOM 0 HB ILE A3297 5.278 5.697 -0.022 1.00 0.00 H new ATOM 0 HG12 ILE A3297 4.331 5.888 2.241 1.00 0.00 H new ATOM 0 HG13 ILE A3297 2.919 4.965 1.766 1.00 0.00 H new ATOM 0 HG21 ILE A3297 3.729 7.544 0.556 1.00 0.00 H new ATOM 0 HG22 ILE A3297 3.747 7.139 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A3297 2.394 6.605 -0.152 1.00 0.00 H new ATOM 0 HD11 ILE A3297 4.478 3.577 3.065 1.00 0.00 H new ATOM 0 HD12 ILE A3297 4.336 2.960 1.402 1.00 0.00 H new ATOM 0 HD13 ILE A3297 5.770 3.897 1.884 1.00 0.00 H new ATOM 980 N GLU A3298 3.691 5.402 -3.027 1.00 0.00 N ATOM 981 CA GLU A3298 2.945 5.835 -4.196 1.00 0.00 C ATOM 982 C GLU A3298 2.548 4.624 -5.026 1.00 0.00 C ATOM 983 O GLU A3298 1.453 4.569 -5.564 1.00 0.00 O ATOM 984 CB GLU A3298 3.736 6.850 -5.047 1.00 0.00 C ATOM 985 CG GLU A3298 5.137 6.376 -5.471 1.00 0.00 C ATOM 986 CD GLU A3298 5.536 6.823 -6.876 1.00 0.00 C ATOM 987 OE1 GLU A3298 6.081 7.942 -6.996 1.00 0.00 O ATOM 988 OE2 GLU A3298 5.330 6.031 -7.829 1.00 0.00 O ATOM 0 H GLU A3298 4.674 5.673 -3.022 1.00 0.00 H new ATOM 0 HA GLU A3298 2.046 6.347 -3.852 1.00 0.00 H new ATOM 0 HB2 GLU A3298 3.159 7.082 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A3298 3.836 7.777 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A3298 5.870 6.753 -4.757 1.00 0.00 H new ATOM 0 HG3 GLU A3298 5.173 5.288 -5.421 1.00 0.00 H new ATOM 995 N SER A3299 3.401 3.609 -5.075 1.00 0.00 N ATOM 996 CA SER A3299 3.152 2.429 -5.884 1.00 0.00 C ATOM 997 C SER A3299 1.974 1.620 -5.375 1.00 0.00 C ATOM 998 O SER A3299 1.149 1.179 -6.180 1.00 0.00 O ATOM 999 CB SER A3299 4.436 1.591 -5.977 1.00 0.00 C ATOM 1000 OG SER A3299 4.250 0.411 -6.746 1.00 0.00 O ATOM 0 H SER A3299 4.279 3.583 -4.557 1.00 0.00 H new ATOM 0 HA SER A3299 2.874 2.750 -6.888 1.00 0.00 H new ATOM 0 HB2 SER A3299 5.229 2.192 -6.422 1.00 0.00 H new ATOM 0 HB3 SER A3299 4.766 1.321 -4.974 1.00 0.00 H new ATOM 0 HG SER A3299 5.090 -0.092 -6.782 1.00 0.00 H new ATOM 1006 N VAL A3300 1.898 1.403 -4.065 1.00 0.00 N ATOM 1007 CA VAL A3300 0.802 0.630 -3.516 1.00 0.00 C ATOM 1008 C VAL A3300 -0.474 1.465 -3.544 1.00 0.00 C ATOM 1009 O VAL A3300 -1.530 0.959 -3.916 1.00 0.00 O ATOM 1010 CB VAL A3300 1.175 0.081 -2.127 1.00 0.00 C ATOM 1011 CG1 VAL A3300 1.303 1.171 -1.052 1.00 0.00 C ATOM 1012 CG2 VAL A3300 0.158 -0.979 -1.702 1.00 0.00 C ATOM 0 H VAL A3300 2.571 1.746 -3.380 1.00 0.00 H new ATOM 0 HA VAL A3300 0.605 -0.249 -4.129 1.00 0.00 H new ATOM 0 HB VAL A3300 2.165 -0.367 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL A3300 1.568 0.713 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A3300 2.079 1.879 -1.342 1.00 0.00 H new ATOM 0 HG13 VAL A3300 0.353 1.696 -0.951 1.00 0.00 H new ATOM 0 HG21 VAL A3300 0.425 -1.366 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A3300 -0.836 -0.533 -1.659 1.00 0.00 H new ATOM 0 HG23 VAL A3300 0.159 -1.795 -2.425 1.00 0.00 H new ATOM 1022 N GLN A3301 -0.415 2.753 -3.182 1.00 0.00 N ATOM 1023 CA GLN A3301 -1.626 3.563 -3.185 1.00 0.00 C ATOM 1024 C GLN A3301 -2.177 3.728 -4.600 1.00 0.00 C ATOM 1025 O GLN A3301 -3.392 3.823 -4.759 1.00 0.00 O ATOM 1026 CB GLN A3301 -1.464 4.841 -2.370 1.00 0.00 C ATOM 1027 CG GLN A3301 -0.596 5.928 -2.997 1.00 0.00 C ATOM 1028 CD GLN A3301 -1.422 7.166 -3.304 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -1.299 8.183 -2.627 1.00 0.00 O ATOM 1030 NE2 GLN A3301 -2.309 7.065 -4.281 1.00 0.00 N ATOM 0 H GLN A3301 0.434 3.239 -2.893 1.00 0.00 H new ATOM 0 HA GLN A3301 -2.414 3.030 -2.653 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -2.454 5.257 -2.183 1.00 0.00 H new ATOM 0 HB3 GLN A3301 -1.040 4.579 -1.401 1.00 0.00 H new ATOM 0 HG2 GLN A3301 0.217 6.187 -2.319 1.00 0.00 H new ATOM 0 HG3 GLN A3301 -0.140 5.553 -3.913 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -2.378 6.202 -4.819 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -2.923 7.851 -4.496 1.00 0.00 H new ATOM 1039 N LYS A3302 -1.312 3.740 -5.616 1.00 0.00 N ATOM 1040 CA LYS A3302 -1.685 3.846 -7.022 1.00 0.00 C ATOM 1041 C LYS A3302 -2.568 2.672 -7.436 1.00 0.00 C ATOM 1042 O LYS A3302 -3.307 2.768 -8.419 1.00 0.00 O ATOM 1043 CB LYS A3302 -0.433 3.949 -7.891 1.00 0.00 C ATOM 1044 CG LYS A3302 -0.026 5.415 -8.047 1.00 0.00 C ATOM 1045 CD LYS A3302 1.244 5.595 -8.875 1.00 0.00 C ATOM 1046 CE LYS A3302 1.141 5.048 -10.309 1.00 0.00 C ATOM 1047 NZ LYS A3302 -0.018 5.584 -11.060 1.00 0.00 N ATOM 0 H LYS A3302 -0.304 3.674 -5.476 1.00 0.00 H new ATOM 0 HA LYS A3302 -2.268 4.755 -7.167 1.00 0.00 H new ATOM 0 HB2 LYS A3302 0.381 3.383 -7.439 1.00 0.00 H new ATOM 0 HB3 LYS A3302 -0.622 3.509 -8.870 1.00 0.00 H new ATOM 0 HG2 LYS A3302 -0.841 5.965 -8.517 1.00 0.00 H new ATOM 0 HG3 LYS A3302 0.125 5.852 -7.060 1.00 0.00 H new ATOM 0 HD2 LYS A3302 1.489 6.656 -8.919 1.00 0.00 H new ATOM 0 HD3 LYS A3302 2.070 5.098 -8.366 1.00 0.00 H new ATOM 0 HE2 LYS A3302 2.057 5.288 -10.849 1.00 0.00 H new ATOM 0 HE3 LYS A3302 1.069 3.961 -10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 -0.001 5.216 -12.033 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 -0.900 5.290 -10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 0.033 6.623 -11.082 1.00 0.00 H new ATOM 1061 N GLU A3303 -2.427 1.530 -6.769 1.00 0.00 N ATOM 1062 CA GLU A3303 -3.246 0.360 -7.055 1.00 0.00 C ATOM 1063 C GLU A3303 -4.631 0.573 -6.430 1.00 0.00 C ATOM 1064 O GLU A3303 -5.656 0.408 -7.082 1.00 0.00 O ATOM 1065 CB GLU A3303 -2.532 -0.941 -6.598 1.00 0.00 C ATOM 1066 CG GLU A3303 -3.121 -1.644 -5.358 1.00 0.00 C ATOM 1067 CD GLU A3303 -2.361 -2.883 -4.877 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -1.139 -3.017 -5.149 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -2.986 -3.707 -4.174 1.00 0.00 O ATOM 0 H GLU A3303 -1.747 1.391 -6.021 1.00 0.00 H new ATOM 0 HA GLU A3303 -3.389 0.235 -8.128 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -2.542 -1.647 -7.429 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -1.488 -0.705 -6.394 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -3.162 -0.925 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -4.148 -1.933 -5.580 1.00 0.00 H new ATOM 1076 N LEU A3304 -4.679 1.042 -5.185 1.00 0.00 N ATOM 1077 CA LEU A3304 -5.887 1.236 -4.428 1.00 0.00 C ATOM 1078 C LEU A3304 -6.832 2.292 -4.964 1.00 0.00 C ATOM 1079 O LEU A3304 -8.037 2.115 -4.854 1.00 0.00 O ATOM 1080 CB LEU A3304 -5.454 1.568 -3.004 1.00 0.00 C ATOM 1081 CG LEU A3304 -4.589 0.479 -2.330 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -4.173 0.932 -0.941 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -5.188 -0.923 -2.267 1.00 0.00 C ATOM 0 H LEU A3304 -3.840 1.303 -4.668 1.00 0.00 H new ATOM 0 HA LEU A3304 -6.474 0.320 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -4.895 2.503 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -6.343 1.736 -2.397 1.00 0.00 H new ATOM 0 HG LEU A3304 -3.728 0.372 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -3.564 0.159 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -3.595 1.853 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -5.061 1.110 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -4.488 -1.596 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -6.122 -0.895 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -5.383 -1.281 -3.278 1.00 0.00 H new ATOM 1095 N GLU A3305 -6.314 3.372 -5.540 1.00 0.00 N ATOM 1096 CA GLU A3305 -7.137 4.450 -6.096 1.00 0.00 C ATOM 1097 C GLU A3305 -8.048 3.977 -7.236 1.00 0.00 C ATOM 1098 O GLU A3305 -8.948 4.723 -7.625 1.00 0.00 O ATOM 1099 CB GLU A3305 -6.254 5.601 -6.604 1.00 0.00 C ATOM 1100 CG GLU A3305 -5.179 5.076 -7.549 1.00 0.00 C ATOM 1101 CD GLU A3305 -4.530 6.186 -8.383 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -5.148 6.613 -9.389 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -3.385 6.591 -8.083 1.00 0.00 O ATOM 0 H GLU A3305 -5.311 3.528 -5.637 1.00 0.00 H new ATOM 0 HA GLU A3305 -7.773 4.796 -5.281 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -6.869 6.339 -7.119 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -5.787 6.108 -5.760 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -4.410 4.566 -6.970 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -5.619 4.335 -8.217 1.00 0.00 H new ATOM 1110 N ASN A3306 -7.809 2.781 -7.792 1.00 0.00 N ATOM 1111 CA ASN A3306 -8.605 2.214 -8.875 1.00 0.00 C ATOM 1112 C ASN A3306 -9.404 0.995 -8.434 1.00 0.00 C ATOM 1113 O ASN A3306 -10.061 0.370 -9.275 1.00 0.00 O ATOM 1114 CB ASN A3306 -7.771 1.981 -10.140 1.00 0.00 C ATOM 1115 CG ASN A3306 -6.865 0.760 -10.150 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -7.259 -0.334 -10.549 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -5.584 0.956 -9.894 1.00 0.00 N ATOM 0 H ASN A3306 -7.044 2.176 -7.493 1.00 0.00 H new ATOM 0 HA ASN A3306 -9.352 2.959 -9.148 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -8.453 1.905 -10.987 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -7.153 2.863 -10.307 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -4.915 0.197 -10.027 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -5.263 1.866 -9.563 1.00 0.00 H new ATOM 1124 N LEU A3307 -9.346 0.622 -7.150 1.00 0.00 N ATOM 1125 CA LEU A3307 -10.116 -0.509 -6.663 1.00 0.00 C ATOM 1126 C LEU A3307 -11.465 -0.006 -6.142 1.00 0.00 C ATOM 1127 O LEU A3307 -11.607 1.159 -5.769 1.00 0.00 O ATOM 1128 CB LEU A3307 -9.336 -1.237 -5.560 1.00 0.00 C ATOM 1129 CG LEU A3307 -8.555 -2.516 -5.932 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -8.952 -3.188 -7.243 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -7.051 -2.329 -5.984 1.00 0.00 C ATOM 0 H LEU A3307 -8.777 1.087 -6.442 1.00 0.00 H new ATOM 0 HA LEU A3307 -10.292 -1.217 -7.473 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -8.627 -0.528 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -10.042 -1.497 -4.771 1.00 0.00 H new ATOM 0 HG LEU A3307 -8.841 -3.165 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -8.337 -4.074 -7.398 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -10.002 -3.478 -7.200 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -8.801 -2.492 -8.069 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -6.576 -3.273 -6.252 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -6.804 -1.574 -6.730 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -6.691 -2.006 -5.007 1.00 0.00 H new ATOM 1143 N SER A3308 -12.450 -0.901 -6.142 1.00 0.00 N ATOM 1144 CA SER A3308 -13.825 -0.692 -5.696 1.00 0.00 C ATOM 1145 C SER A3308 -13.938 -0.939 -4.185 1.00 0.00 C ATOM 1146 O SER A3308 -12.977 -1.400 -3.569 1.00 0.00 O ATOM 1147 CB SER A3308 -14.713 -1.676 -6.471 1.00 0.00 C ATOM 1148 OG SER A3308 -14.404 -1.642 -7.855 1.00 0.00 O ATOM 0 H SER A3308 -12.299 -1.853 -6.475 1.00 0.00 H new ATOM 0 HA SER A3308 -14.139 0.334 -5.885 1.00 0.00 H new ATOM 0 HB2 SER A3308 -14.570 -2.685 -6.085 1.00 0.00 H new ATOM 0 HB3 SER A3308 -15.763 -1.423 -6.321 1.00 0.00 H new ATOM 0 HG SER A3308 -14.978 -2.276 -8.334 1.00 0.00 H new ATOM 1154 N GLU A3309 -15.077 -0.617 -3.558 1.00 0.00 N ATOM 1155 CA GLU A3309 -15.274 -0.850 -2.124 1.00 0.00 C ATOM 1156 C GLU A3309 -15.078 -2.328 -1.853 1.00 0.00 C ATOM 1157 O GLU A3309 -14.201 -2.658 -1.078 1.00 0.00 O ATOM 1158 CB GLU A3309 -16.668 -0.367 -1.644 1.00 0.00 C ATOM 1159 CG GLU A3309 -16.703 1.086 -1.154 1.00 0.00 C ATOM 1160 CD GLU A3309 -18.088 1.751 -1.173 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -18.658 1.973 -0.072 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -18.566 2.156 -2.260 1.00 0.00 O ATOM 0 H GLU A3309 -15.878 -0.193 -4.025 1.00 0.00 H new ATOM 0 HA GLU A3309 -14.544 -0.269 -1.561 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -17.379 -0.478 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -17.006 -1.018 -0.837 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -16.316 1.118 -0.135 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -16.026 1.677 -1.771 1.00 0.00 H new ATOM 1169 N GLU A3310 -15.667 -3.207 -2.648 1.00 0.00 N ATOM 1170 CA GLU A3310 -15.571 -4.648 -2.473 1.00 0.00 C ATOM 1171 C GLU A3310 -14.115 -5.106 -2.361 1.00 0.00 C ATOM 1172 O GLU A3310 -13.850 -6.188 -1.850 1.00 0.00 O ATOM 1173 CB GLU A3310 -16.204 -5.373 -3.676 1.00 0.00 C ATOM 1174 CG GLU A3310 -17.643 -4.976 -4.017 1.00 0.00 C ATOM 1175 CD GLU A3310 -18.698 -5.636 -3.131 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -19.022 -5.083 -2.054 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -19.330 -6.624 -3.559 1.00 0.00 O ATOM 0 H GLU A3310 -16.236 -2.934 -3.449 1.00 0.00 H new ATOM 0 HA GLU A3310 -16.099 -4.894 -1.552 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -15.581 -5.193 -4.552 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -16.180 -6.445 -3.482 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -17.739 -3.893 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -17.843 -5.235 -5.057 1.00 0.00 H new ATOM 1184 N GLU A3311 -13.188 -4.421 -3.031 1.00 0.00 N ATOM 1185 CA GLU A3311 -11.788 -4.752 -2.984 1.00 0.00 C ATOM 1186 C GLU A3311 -11.099 -4.190 -1.735 1.00 0.00 C ATOM 1187 O GLU A3311 -10.397 -4.911 -1.031 1.00 0.00 O ATOM 1188 CB GLU A3311 -11.144 -4.184 -4.245 1.00 0.00 C ATOM 1189 CG GLU A3311 -11.760 -4.639 -5.581 1.00 0.00 C ATOM 1190 CD GLU A3311 -11.014 -5.747 -6.330 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -9.883 -6.123 -5.941 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -11.552 -6.205 -7.363 1.00 0.00 O ATOM 0 H GLU A3311 -13.402 -3.618 -3.622 1.00 0.00 H new ATOM 0 HA GLU A3311 -11.675 -5.835 -2.934 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -11.194 -3.096 -4.196 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -10.088 -4.455 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -12.777 -4.980 -5.390 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -11.833 -3.772 -6.237 1.00 0.00 H new ATOM 1199 N LEU A3312 -11.250 -2.879 -1.498 1.00 0.00 N ATOM 1200 CA LEU A3312 -10.651 -2.115 -0.389 1.00 0.00 C ATOM 1201 C LEU A3312 -11.338 -2.297 0.954 1.00 0.00 C ATOM 1202 O LEU A3312 -10.709 -2.594 1.967 1.00 0.00 O ATOM 1203 CB LEU A3312 -10.597 -0.606 -0.699 1.00 0.00 C ATOM 1204 CG LEU A3312 -10.100 -0.294 -2.121 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -10.717 0.961 -2.705 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -8.576 -0.274 -2.189 1.00 0.00 C ATOM 0 H LEU A3312 -11.822 -2.291 -2.104 1.00 0.00 H new ATOM 0 HA LEU A3312 -9.647 -2.531 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -11.591 -0.179 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -9.942 -0.117 0.023 1.00 0.00 H new ATOM 0 HG LEU A3312 -10.444 -1.112 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -10.326 1.126 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -11.800 0.846 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -10.470 1.815 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -8.260 -0.051 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -8.192 0.491 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -8.186 -1.248 -1.894 1.00 0.00 H new ATOM 1218 N LEU A3313 -12.645 -2.064 0.969 1.00 0.00 N ATOM 1219 CA LEU A3313 -13.518 -2.201 2.123 1.00 0.00 C ATOM 1220 C LEU A3313 -13.329 -3.612 2.638 1.00 0.00 C ATOM 1221 O LEU A3313 -13.249 -3.785 3.848 1.00 0.00 O ATOM 1222 CB LEU A3313 -14.987 -1.865 1.741 1.00 0.00 C ATOM 1223 CG LEU A3313 -16.090 -2.071 2.808 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -16.594 -3.506 2.968 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -15.800 -1.515 4.201 1.00 0.00 C ATOM 0 H LEU A3313 -13.147 -1.760 0.135 1.00 0.00 H new ATOM 0 HA LEU A3313 -13.269 -1.496 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -15.018 -0.821 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -15.250 -2.467 0.871 1.00 0.00 H new ATOM 0 HG LEU A3313 -16.876 -1.465 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -17.363 -3.538 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -17.013 -3.852 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -15.765 -4.153 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -16.645 -1.721 4.858 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -14.904 -1.989 4.603 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -15.644 -0.438 4.138 1.00 0.00 H new ATOM 1237 N ALA A3314 -13.143 -4.607 1.767 1.00 0.00 N ATOM 1238 CA ALA A3314 -12.980 -5.953 2.260 1.00 0.00 C ATOM 1239 C ALA A3314 -11.642 -6.144 3.005 1.00 0.00 C ATOM 1240 O ALA A3314 -11.566 -6.959 3.922 1.00 0.00 O ATOM 1241 CB ALA A3314 -13.118 -6.914 1.080 1.00 0.00 C ATOM 0 H ALA A3314 -13.104 -4.502 0.753 1.00 0.00 H new ATOM 0 HA ALA A3314 -13.755 -6.164 2.997 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -12.998 -7.939 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -14.103 -6.797 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -12.351 -6.692 0.338 1.00 0.00 H new ATOM 1247 N MET A3315 -10.603 -5.363 2.665 1.00 0.00 N ATOM 1248 CA MET A3315 -9.261 -5.443 3.262 1.00 0.00 C ATOM 1249 C MET A3315 -9.233 -4.915 4.681 1.00 0.00 C ATOM 1250 O MET A3315 -8.756 -5.575 5.602 1.00 0.00 O ATOM 1251 CB MET A3315 -8.250 -4.593 2.476 1.00 0.00 C ATOM 1252 CG MET A3315 -8.185 -4.934 1.003 1.00 0.00 C ATOM 1253 SD MET A3315 -6.567 -5.635 0.554 1.00 0.00 S ATOM 1254 CE MET A3315 -7.061 -6.873 -0.657 1.00 0.00 C ATOM 0 H MET A3315 -10.676 -4.640 1.949 1.00 0.00 H new ATOM 0 HA MET A3315 -9.000 -6.501 3.240 1.00 0.00 H new ATOM 0 HB2 MET A3315 -8.511 -3.540 2.585 1.00 0.00 H new ATOM 0 HB3 MET A3315 -7.261 -4.723 2.914 1.00 0.00 H new ATOM 0 HG2 MET A3315 -8.973 -5.647 0.758 1.00 0.00 H new ATOM 0 HG3 MET A3315 -8.371 -4.037 0.412 1.00 0.00 H new ATOM 0 HE1 MET A3315 -6.177 -7.392 -1.028 1.00 0.00 H new ATOM 0 HE2 MET A3315 -7.734 -7.592 -0.189 1.00 0.00 H new ATOM 0 HE3 MET A3315 -7.572 -6.386 -1.488 1.00 0.00 H new ATOM 1264 N LEU A3316 -9.682 -3.670 4.837 1.00 0.00 N ATOM 1265 CA LEU A3316 -9.750 -2.981 6.117 1.00 0.00 C ATOM 1266 C LEU A3316 -10.778 -3.650 7.025 1.00 0.00 C ATOM 1267 O LEU A3316 -10.612 -3.617 8.241 1.00 0.00 O ATOM 1268 CB LEU A3316 -10.098 -1.501 5.912 1.00 0.00 C ATOM 1269 CG LEU A3316 -11.383 -1.266 5.093 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -12.641 -1.099 5.963 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -11.233 0.035 4.316 1.00 0.00 C ATOM 0 H LEU A3316 -10.015 -3.103 4.057 1.00 0.00 H new ATOM 0 HA LEU A3316 -8.773 -3.042 6.596 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -10.209 -1.026 6.887 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -9.265 -1.009 5.411 1.00 0.00 H new ATOM 0 HG LEU A3316 -11.507 -2.143 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -13.508 -0.937 5.322 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -12.793 -1.999 6.559 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -12.514 -0.242 6.625 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -12.135 0.215 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -11.081 0.859 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -10.375 -0.037 3.647 1.00 0.00 H new ATOM 1283 N ASN A3317 -11.834 -4.235 6.445 1.00 0.00 N ATOM 1284 CA ASN A3317 -12.863 -4.906 7.223 1.00 0.00 C ATOM 1285 C ASN A3317 -12.383 -6.299 7.619 1.00 0.00 C ATOM 1286 O ASN A3317 -12.776 -6.806 8.666 1.00 0.00 O ATOM 1287 CB ASN A3317 -14.165 -5.002 6.415 1.00 0.00 C ATOM 1288 CG ASN A3317 -15.360 -5.157 7.325 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -15.899 -6.234 7.537 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -15.815 -4.036 7.859 1.00 0.00 N ATOM 0 H ASN A3317 -11.991 -4.253 5.437 1.00 0.00 H new ATOM 0 HA ASN A3317 -13.059 -4.327 8.126 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -14.284 -4.108 5.803 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -14.111 -5.850 5.733 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -16.635 -4.056 8.465 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -15.346 -3.151 7.665 1.00 0.00 H new ATOM 1297 N GLY A3318 -11.475 -6.863 6.818 1.00 0.00 N ATOM 1298 CA GLY A3318 -10.891 -8.183 7.004 1.00 0.00 C ATOM 1299 C GLY A3318 -11.962 -9.263 6.881 1.00 0.00 C ATOM 1300 O GLY A3318 -11.957 -10.232 7.646 1.00 0.00 O ATOM 0 H GLY A3318 -11.116 -6.388 5.990 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -10.111 -8.350 6.261 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -10.417 -8.243 7.984 1.00 0.00 H new