USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 421 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.153 (180deg=0.0557) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.202 K(o=-0.2,f=-3!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -147:sc= -0.229 (180deg=-1.18) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -110:sc= -0.657 USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= -0.0108 (180deg=-0.178) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 37 ASN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 44 THR OG1 : rot -67:sc= 1.23 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.71 USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00369) USER MOD Single : A 51 THR OG1 : rot 59:sc= 0.00922 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.659 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.155 -8.282 7.999 1.00 2.03 N ATOM 2 CA MET A 1 19.218 -9.262 7.812 1.00 34.23 C ATOM 3 C MET A 1 18.639 -10.637 7.493 1.00 73.15 C ATOM 4 O MET A 1 17.740 -11.120 8.182 1.00 63.51 O ATOM 5 CB MET A 1 20.093 -9.342 9.063 1.00 42.53 C ATOM 6 CG MET A 1 21.194 -8.295 9.103 1.00 45.15 C ATOM 7 SD MET A 1 20.650 -6.745 9.848 1.00 3.33 S ATOM 8 CE MET A 1 22.116 -6.280 10.768 1.00 73.52 C ATOM 0 H1 MET A 1 18.514 -7.484 8.561 1.00 2.03 H new ATOM 0 H2 MET A 1 17.834 -7.936 7.072 1.00 2.03 H new ATOM 0 H3 MET A 1 17.357 -8.726 8.498 1.00 2.03 H new ATOM 0 HA MET A 1 19.831 -8.941 6.970 1.00 34.23 H new ATOM 0 HB2 MET A 1 19.463 -9.228 9.945 1.00 42.53 H new ATOM 0 HB3 MET A 1 20.543 -10.333 9.119 1.00 42.53 H new ATOM 0 HG2 MET A 1 22.042 -8.686 9.665 1.00 45.15 H new ATOM 0 HG3 MET A 1 21.545 -8.103 8.089 1.00 45.15 H new ATOM 0 HE1 MET A 1 21.937 -5.338 11.286 1.00 73.52 H new ATOM 0 HE2 MET A 1 22.349 -7.056 11.497 1.00 73.52 H new ATOM 0 HE3 MET A 1 22.955 -6.163 10.081 1.00 73.52 H new ATOM 18 N THR A 2 19.159 -11.265 6.444 1.00 32.33 N ATOM 19 CA THR A 2 18.694 -12.583 6.032 1.00 25.25 C ATOM 20 C THR A 2 19.006 -13.631 7.094 1.00 52.42 C ATOM 21 O THR A 2 20.153 -13.781 7.514 1.00 3.11 O ATOM 22 CB THR A 2 19.332 -13.014 4.698 1.00 23.24 C ATOM 23 OG1 THR A 2 19.591 -11.864 3.885 1.00 35.55 O ATOM 24 CG2 THR A 2 18.422 -13.975 3.948 1.00 50.33 C ATOM 0 H THR A 2 19.904 -10.881 5.863 1.00 32.33 H new ATOM 0 HA THR A 2 17.614 -12.511 5.901 1.00 25.25 H new ATOM 0 HB THR A 2 20.270 -13.523 4.918 1.00 23.24 H new ATOM 0 HG1 THR A 2 19.998 -12.146 3.039 1.00 35.55 H new ATOM 0 HG21 THR A 2 18.894 -14.265 3.009 1.00 50.33 H new ATOM 0 HG22 THR A 2 18.249 -14.862 4.557 1.00 50.33 H new ATOM 0 HG23 THR A 2 17.470 -13.487 3.740 1.00 50.33 H new ATOM 32 N PHE A 3 17.978 -14.357 7.522 1.00 23.24 N ATOM 33 CA PHE A 3 18.143 -15.393 8.536 1.00 31.32 C ATOM 34 C PHE A 3 18.110 -16.781 7.903 1.00 32.01 C ATOM 35 O PHE A 3 17.754 -16.937 6.735 1.00 41.12 O ATOM 36 CB PHE A 3 17.047 -15.276 9.597 1.00 42.31 C ATOM 37 CG PHE A 3 17.460 -14.473 10.797 1.00 33.03 C ATOM 38 CD1 PHE A 3 18.100 -15.080 11.867 1.00 42.10 C ATOM 39 CD2 PHE A 3 17.207 -13.112 10.857 1.00 33.44 C ATOM 40 CE1 PHE A 3 18.480 -14.343 12.973 1.00 51.32 C ATOM 41 CE2 PHE A 3 17.587 -12.371 11.961 1.00 24.41 C ATOM 42 CZ PHE A 3 18.223 -12.987 13.021 1.00 72.31 C ATOM 0 H PHE A 3 17.022 -14.247 7.183 1.00 23.24 H new ATOM 0 HA PHE A 3 19.114 -15.253 9.011 1.00 31.32 H new ATOM 0 HB2 PHE A 3 16.165 -14.818 9.149 1.00 42.31 H new ATOM 0 HB3 PHE A 3 16.757 -16.276 9.921 1.00 42.31 H new ATOM 0 HD1 PHE A 3 18.304 -16.140 11.836 1.00 42.10 H new ATOM 0 HD2 PHE A 3 16.708 -12.625 10.033 1.00 33.44 H new ATOM 0 HE1 PHE A 3 18.978 -14.828 13.800 1.00 51.32 H new ATOM 0 HE2 PHE A 3 17.386 -11.310 11.994 1.00 24.41 H new ATOM 0 HZ PHE A 3 18.518 -12.410 13.885 1.00 72.31 H new ATOM 52 N LYS A 4 18.484 -17.790 8.686 1.00 30.13 N ATOM 53 CA LYS A 4 18.495 -19.166 8.206 1.00 25.34 C ATOM 54 C LYS A 4 17.783 -20.091 9.187 1.00 70.05 C ATOM 55 O LYS A 4 17.782 -19.848 10.395 1.00 25.23 O ATOM 56 CB LYS A 4 19.935 -19.641 7.993 1.00 2.25 C ATOM 57 CG LYS A 4 20.051 -20.822 7.045 1.00 51.01 C ATOM 58 CD LYS A 4 21.452 -20.937 6.467 1.00 12.30 C ATOM 59 CE LYS A 4 21.838 -22.387 6.224 1.00 32.32 C ATOM 60 NZ LYS A 4 23.315 -22.565 6.155 1.00 32.44 N1+ ATOM 0 H LYS A 4 18.783 -17.679 9.655 1.00 30.13 H new ATOM 0 HA LYS A 4 17.963 -19.197 7.255 1.00 25.34 H new ATOM 0 HB2 LYS A 4 20.528 -18.813 7.604 1.00 2.25 H new ATOM 0 HB3 LYS A 4 20.365 -19.915 8.956 1.00 2.25 H new ATOM 0 HG2 LYS A 4 19.798 -21.741 7.574 1.00 51.01 H new ATOM 0 HG3 LYS A 4 19.330 -20.712 6.235 1.00 51.01 H new ATOM 0 HD2 LYS A 4 21.506 -20.383 5.530 1.00 12.30 H new ATOM 0 HD3 LYS A 4 22.167 -20.479 7.150 1.00 12.30 H new ATOM 0 HE2 LYS A 4 21.434 -23.009 7.023 1.00 32.32 H new ATOM 0 HE3 LYS A 4 21.387 -22.732 5.293 1.00 32.32 H new ATOM 0 HZ1 LYS A 4 23.536 -23.567 5.988 1.00 32.44 H new ATOM 0 HZ2 LYS A 4 23.698 -21.992 5.376 1.00 32.44 H new ATOM 0 HZ3 LYS A 4 23.744 -22.260 7.052 1.00 32.44 H new ATOM 74 N LEU A 5 17.181 -21.152 8.664 1.00 33.01 N ATOM 75 CA LEU A 5 16.468 -22.115 9.495 1.00 5.52 C ATOM 76 C LEU A 5 17.002 -23.527 9.274 1.00 63.41 C ATOM 77 O LEU A 5 17.375 -23.893 8.160 1.00 54.40 O ATOM 78 CB LEU A 5 14.970 -22.072 9.188 1.00 41.31 C ATOM 79 CG LEU A 5 14.105 -23.103 9.914 1.00 72.33 C ATOM 80 CD1 LEU A 5 14.215 -22.925 11.421 1.00 41.24 C ATOM 81 CD2 LEU A 5 12.655 -22.994 9.467 1.00 71.45 C ATOM 0 H LEU A 5 17.172 -21.368 7.667 1.00 33.01 H new ATOM 0 HA LEU A 5 16.628 -21.845 10.539 1.00 5.52 H new ATOM 0 HB2 LEU A 5 14.598 -21.078 9.434 1.00 41.31 H new ATOM 0 HB3 LEU A 5 14.836 -22.206 8.115 1.00 41.31 H new ATOM 0 HG LEU A 5 14.469 -24.098 9.658 1.00 72.33 H new ATOM 0 HD11 LEU A 5 13.593 -23.667 11.921 1.00 41.24 H new ATOM 0 HD12 LEU A 5 15.253 -23.055 11.728 1.00 41.24 H new ATOM 0 HD13 LEU A 5 13.878 -21.925 11.695 1.00 41.24 H new ATOM 0 HD21 LEU A 5 12.055 -23.736 9.994 1.00 71.45 H new ATOM 0 HD22 LEU A 5 12.279 -21.996 9.692 1.00 71.45 H new ATOM 0 HD23 LEU A 5 12.591 -23.172 8.394 1.00 71.45 H new ATOM 93 N ILE A 6 17.035 -24.315 10.343 1.00 4.33 N ATOM 94 CA ILE A 6 17.521 -25.687 10.267 1.00 33.32 C ATOM 95 C ILE A 6 16.501 -26.664 10.842 1.00 45.43 C ATOM 96 O ILE A 6 16.281 -26.705 12.053 1.00 53.14 O ATOM 97 CB ILE A 6 18.855 -25.855 11.016 1.00 13.12 C ATOM 98 CG1 ILE A 6 19.992 -25.196 10.232 1.00 20.14 C ATOM 99 CG2 ILE A 6 19.151 -27.329 11.249 1.00 23.52 C ATOM 100 CD1 ILE A 6 20.275 -25.862 8.903 1.00 64.22 C ATOM 0 H ILE A 6 16.731 -24.027 11.273 1.00 4.33 H new ATOM 0 HA ILE A 6 17.677 -25.908 9.211 1.00 33.32 H new ATOM 0 HB ILE A 6 18.774 -25.363 11.985 1.00 13.12 H new ATOM 0 HG12 ILE A 6 19.744 -24.149 10.059 1.00 20.14 H new ATOM 0 HG13 ILE A 6 20.898 -25.213 10.838 1.00 20.14 H new ATOM 0 HG21 ILE A 6 20.098 -27.431 11.780 1.00 23.52 H new ATOM 0 HG22 ILE A 6 18.352 -27.771 11.844 1.00 23.52 H new ATOM 0 HG23 ILE A 6 19.216 -27.843 10.290 1.00 23.52 H new ATOM 0 HD11 ILE A 6 21.092 -25.342 8.402 1.00 64.22 H new ATOM 0 HD12 ILE A 6 20.554 -26.902 9.070 1.00 64.22 H new ATOM 0 HD13 ILE A 6 19.383 -25.822 8.278 1.00 64.22 H new ATOM 112 N ILE A 7 15.885 -27.451 9.966 1.00 20.51 N ATOM 113 CA ILE A 7 14.890 -28.430 10.388 1.00 51.32 C ATOM 114 C ILE A 7 15.488 -29.832 10.441 1.00 24.33 C ATOM 115 O ILE A 7 15.459 -30.568 9.455 1.00 22.23 O ATOM 116 CB ILE A 7 13.674 -28.438 9.444 1.00 15.41 C ATOM 117 CG1 ILE A 7 13.084 -27.031 9.322 1.00 1.21 C ATOM 118 CG2 ILE A 7 12.621 -29.416 9.946 1.00 72.24 C ATOM 119 CD1 ILE A 7 11.967 -26.929 8.308 1.00 50.13 C ATOM 0 H ILE A 7 16.057 -27.430 8.961 1.00 20.51 H new ATOM 0 HA ILE A 7 14.563 -28.139 11.386 1.00 51.32 H new ATOM 0 HB ILE A 7 14.003 -28.761 8.456 1.00 15.41 H new ATOM 0 HG12 ILE A 7 12.709 -26.718 10.296 1.00 1.21 H new ATOM 0 HG13 ILE A 7 13.877 -26.336 9.047 1.00 1.21 H new ATOM 0 HG21 ILE A 7 11.767 -29.411 9.268 1.00 72.24 H new ATOM 0 HG22 ILE A 7 13.046 -30.419 9.987 1.00 72.24 H new ATOM 0 HG23 ILE A 7 12.295 -29.120 10.943 1.00 72.24 H new ATOM 0 HD11 ILE A 7 11.597 -25.904 8.276 1.00 50.13 H new ATOM 0 HD12 ILE A 7 12.342 -27.211 7.324 1.00 50.13 H new ATOM 0 HD13 ILE A 7 11.155 -27.598 8.592 1.00 50.13 H new ATOM 131 N ASN A 8 16.028 -30.195 11.599 1.00 64.41 N ATOM 132 CA ASN A 8 16.633 -31.510 11.782 1.00 62.14 C ATOM 133 C ASN A 8 15.561 -32.594 11.869 1.00 34.41 C ATOM 134 O ASN A 8 15.242 -33.080 12.952 1.00 1.43 O ATOM 135 CB ASN A 8 17.494 -31.527 13.045 1.00 1.04 C ATOM 136 CG ASN A 8 18.425 -32.724 13.095 1.00 72.24 C ATOM 137 OD1 ASN A 8 18.168 -33.751 12.466 1.00 2.11 O ATOM 138 ND2 ASN A 8 19.512 -32.596 13.845 1.00 14.42 N ATOM 0 H ASN A 8 16.059 -29.598 12.425 1.00 64.41 H new ATOM 0 HA ASN A 8 17.264 -31.716 10.918 1.00 62.14 H new ATOM 0 HB2 ASN A 8 18.082 -30.611 13.093 1.00 1.04 H new ATOM 0 HB3 ASN A 8 16.847 -31.537 13.922 1.00 1.04 H new ATOM 0 HD21 ASN A 8 20.175 -33.367 13.918 1.00 14.42 H new ATOM 0 HD22 ASN A 8 19.684 -31.726 14.349 1.00 14.42 H new ATOM 145 N GLY A 9 15.009 -32.966 10.717 1.00 25.24 N ATOM 146 CA GLY A 9 13.981 -33.989 10.684 1.00 42.23 C ATOM 147 C GLY A 9 14.558 -35.392 10.707 1.00 54.12 C ATOM 148 O GLY A 9 15.392 -35.742 9.873 1.00 64.31 O ATOM 0 H GLY A 9 15.256 -32.577 9.807 1.00 25.24 H new ATOM 0 HA2 GLY A 9 13.316 -33.859 11.538 1.00 42.23 H new ATOM 0 HA3 GLY A 9 13.376 -33.863 9.786 1.00 42.23 H new ATOM 152 N LYS A 10 14.111 -36.196 11.667 1.00 20.14 N ATOM 153 CA LYS A 10 14.588 -37.568 11.797 1.00 61.12 C ATOM 154 C LYS A 10 14.230 -38.387 10.561 1.00 44.41 C ATOM 155 O LYS A 10 14.901 -39.369 10.238 1.00 51.54 O ATOM 156 CB LYS A 10 13.990 -38.220 13.045 1.00 74.11 C ATOM 157 CG LYS A 10 12.475 -38.315 13.015 1.00 52.15 C ATOM 158 CD LYS A 10 12.011 -39.684 12.550 1.00 52.11 C ATOM 159 CE LYS A 10 11.766 -40.619 13.725 1.00 33.45 C ATOM 160 NZ LYS A 10 10.697 -41.614 13.427 1.00 33.12 N1+ ATOM 0 H LYS A 10 13.420 -35.921 12.365 1.00 20.14 H new ATOM 0 HA LYS A 10 15.674 -37.543 11.892 1.00 61.12 H new ATOM 0 HB2 LYS A 10 14.406 -39.221 13.156 1.00 74.11 H new ATOM 0 HB3 LYS A 10 14.293 -37.649 13.923 1.00 74.11 H new ATOM 0 HG2 LYS A 10 12.077 -38.114 14.010 1.00 52.15 H new ATOM 0 HG3 LYS A 10 12.075 -37.549 12.351 1.00 52.15 H new ATOM 0 HD2 LYS A 10 11.095 -39.581 11.969 1.00 52.11 H new ATOM 0 HD3 LYS A 10 12.761 -40.118 11.889 1.00 52.11 H new ATOM 0 HE2 LYS A 10 12.690 -41.141 13.973 1.00 33.45 H new ATOM 0 HE3 LYS A 10 11.485 -40.035 14.602 1.00 33.45 H new ATOM 0 HZ1 LYS A 10 10.559 -42.233 14.251 1.00 33.12 H new ATOM 0 HZ2 LYS A 10 9.809 -41.116 13.215 1.00 33.12 H new ATOM 0 HZ3 LYS A 10 10.976 -42.188 12.606 1.00 33.12 H new ATOM 174 N THR A 11 13.169 -37.979 9.871 1.00 15.21 N ATOM 175 CA THR A 11 12.724 -38.674 8.672 1.00 62.22 C ATOM 176 C THR A 11 12.915 -37.810 7.431 1.00 61.24 C ATOM 177 O THR A 11 13.195 -38.318 6.344 1.00 32.30 O ATOM 178 CB THR A 11 11.242 -39.081 8.777 1.00 70.54 C ATOM 179 OG1 THR A 11 10.857 -39.834 7.621 1.00 73.10 O ATOM 180 CG2 THR A 11 10.352 -37.854 8.907 1.00 44.40 C ATOM 0 H THR A 11 12.602 -37.169 10.124 1.00 15.21 H new ATOM 0 HA THR A 11 13.335 -39.572 8.583 1.00 62.22 H new ATOM 0 HB THR A 11 11.120 -39.696 9.668 1.00 70.54 H new ATOM 0 HG1 THR A 11 9.914 -40.090 7.697 1.00 73.10 H new ATOM 0 HG21 THR A 11 9.310 -38.166 8.980 1.00 44.40 H new ATOM 0 HG22 THR A 11 10.627 -37.298 9.803 1.00 44.40 H new ATOM 0 HG23 THR A 11 10.480 -37.217 8.031 1.00 44.40 H new ATOM 188 N LEU A 12 12.763 -36.500 7.599 1.00 23.00 N ATOM 189 CA LEU A 12 12.920 -35.563 6.492 1.00 43.11 C ATOM 190 C LEU A 12 13.319 -34.182 7.000 1.00 4.35 C ATOM 191 O LEU A 12 12.532 -33.497 7.652 1.00 72.22 O ATOM 192 CB LEU A 12 11.620 -35.468 5.691 1.00 64.33 C ATOM 193 CG LEU A 12 11.771 -35.146 4.203 1.00 11.33 C ATOM 194 CD1 LEU A 12 10.570 -35.654 3.422 1.00 33.21 C ATOM 195 CD2 LEU A 12 11.948 -33.648 3.998 1.00 70.53 C ATOM 0 H LEU A 12 12.531 -36.063 8.491 1.00 23.00 H new ATOM 0 HA LEU A 12 13.714 -35.934 5.844 1.00 43.11 H new ATOM 0 HB2 LEU A 12 11.088 -36.415 5.785 1.00 64.33 H new ATOM 0 HB3 LEU A 12 10.991 -34.703 6.146 1.00 64.33 H new ATOM 0 HG LEU A 12 12.661 -35.652 3.830 1.00 11.33 H new ATOM 0 HD11 LEU A 12 10.696 -35.416 2.366 1.00 33.21 H new ATOM 0 HD12 LEU A 12 10.488 -36.734 3.543 1.00 33.21 H new ATOM 0 HD13 LEU A 12 9.664 -35.177 3.796 1.00 33.21 H new ATOM 0 HD21 LEU A 12 12.054 -33.436 2.934 1.00 70.53 H new ATOM 0 HD22 LEU A 12 11.076 -33.122 4.388 1.00 70.53 H new ATOM 0 HD23 LEU A 12 12.841 -33.312 4.525 1.00 70.53 H new ATOM 207 N LYS A 13 14.548 -33.777 6.695 1.00 21.15 N ATOM 208 CA LYS A 13 15.053 -32.477 7.118 1.00 13.53 C ATOM 209 C LYS A 13 14.645 -31.389 6.129 1.00 62.51 C ATOM 210 O LYS A 13 14.206 -31.679 5.017 1.00 23.21 O ATOM 211 CB LYS A 13 16.577 -32.517 7.249 1.00 14.43 C ATOM 212 CG LYS A 13 17.071 -33.487 8.308 1.00 1.44 C ATOM 213 CD LYS A 13 18.463 -34.003 7.985 1.00 42.34 C ATOM 214 CE LYS A 13 19.504 -32.900 8.085 1.00 71.21 C ATOM 215 NZ LYS A 13 19.622 -32.132 6.816 1.00 31.45 N1+ ATOM 0 H LYS A 13 15.213 -34.332 6.156 1.00 21.15 H new ATOM 0 HA LYS A 13 14.618 -32.243 8.090 1.00 13.53 H new ATOM 0 HB2 LYS A 13 17.009 -32.792 6.287 1.00 14.43 H new ATOM 0 HB3 LYS A 13 16.939 -31.517 7.487 1.00 14.43 H new ATOM 0 HG2 LYS A 13 17.082 -32.992 9.279 1.00 1.44 H new ATOM 0 HG3 LYS A 13 16.380 -34.326 8.385 1.00 1.44 H new ATOM 0 HD2 LYS A 13 18.721 -34.811 8.670 1.00 42.34 H new ATOM 0 HD3 LYS A 13 18.472 -34.423 6.979 1.00 42.34 H new ATOM 0 HE2 LYS A 13 19.238 -32.222 8.896 1.00 71.21 H new ATOM 0 HE3 LYS A 13 20.471 -33.335 8.337 1.00 71.21 H new ATOM 0 HZ1 LYS A 13 20.606 -31.819 6.690 1.00 31.45 H new ATOM 0 HZ2 LYS A 13 19.346 -32.737 6.017 1.00 31.45 H new ATOM 0 HZ3 LYS A 13 18.997 -31.302 6.853 1.00 31.45 H new ATOM 229 N GLY A 14 14.794 -30.134 6.543 1.00 64.41 N ATOM 230 CA GLY A 14 14.439 -29.022 5.681 1.00 2.42 C ATOM 231 C GLY A 14 15.313 -27.805 5.914 1.00 5.42 C ATOM 232 O GLY A 14 16.353 -27.897 6.565 1.00 43.14 O ATOM 0 H GLY A 14 15.154 -29.868 7.460 1.00 64.41 H new ATOM 0 HA2 GLY A 14 14.524 -29.332 4.640 1.00 2.42 H new ATOM 0 HA3 GLY A 14 13.396 -28.754 5.850 1.00 2.42 H new ATOM 236 N GLU A 15 14.890 -26.663 5.379 1.00 34.54 N ATOM 237 CA GLU A 15 15.646 -25.425 5.531 1.00 71.41 C ATOM 238 C GLU A 15 14.935 -24.267 4.837 1.00 64.34 C ATOM 239 O GLU A 15 14.111 -24.472 3.945 1.00 1.11 O ATOM 240 CB GLU A 15 17.056 -25.587 4.958 1.00 73.45 C ATOM 241 CG GLU A 15 17.082 -26.210 3.574 1.00 42.33 C ATOM 242 CD GLU A 15 18.306 -25.805 2.774 1.00 65.22 C ATOM 243 OE1 GLU A 15 18.507 -24.586 2.577 1.00 13.12 O ATOM 244 OE2 GLU A 15 19.059 -26.702 2.345 1.00 51.34 O1- ATOM 0 H GLU A 15 14.030 -26.570 4.838 1.00 34.54 H new ATOM 0 HA GLU A 15 15.718 -25.202 6.595 1.00 71.41 H new ATOM 0 HB2 GLU A 15 17.537 -24.610 4.916 1.00 73.45 H new ATOM 0 HB3 GLU A 15 17.646 -26.204 5.636 1.00 73.45 H new ATOM 0 HG2 GLU A 15 17.057 -27.296 3.668 1.00 42.33 H new ATOM 0 HG3 GLU A 15 16.184 -25.916 3.031 1.00 42.33 H new ATOM 251 N THR A 16 15.256 -23.046 5.255 1.00 30.23 N ATOM 252 CA THR A 16 14.648 -21.855 4.677 1.00 24.41 C ATOM 253 C THR A 16 15.278 -20.587 5.242 1.00 65.30 C ATOM 254 O THR A 16 15.709 -20.555 6.395 1.00 35.35 O ATOM 255 CB THR A 16 13.130 -21.818 4.936 1.00 23.35 C ATOM 256 OG1 THR A 16 12.603 -20.536 4.576 1.00 41.12 O ATOM 257 CG2 THR A 16 12.822 -22.106 6.397 1.00 10.41 C ATOM 0 H THR A 16 15.935 -22.857 5.993 1.00 30.23 H new ATOM 0 HA THR A 16 14.826 -21.899 3.603 1.00 24.41 H new ATOM 0 HB THR A 16 12.661 -22.589 4.324 1.00 23.35 H new ATOM 0 HG1 THR A 16 11.637 -20.521 4.742 1.00 41.12 H new ATOM 0 HG21 THR A 16 11.744 -22.074 6.555 1.00 10.41 H new ATOM 0 HG22 THR A 16 13.198 -23.095 6.660 1.00 10.41 H new ATOM 0 HG23 THR A 16 13.303 -21.356 7.025 1.00 10.41 H new ATOM 265 N THR A 17 15.330 -19.542 4.423 1.00 54.32 N ATOM 266 CA THR A 17 15.907 -18.270 4.839 1.00 12.31 C ATOM 267 C THR A 17 14.931 -17.122 4.619 1.00 23.20 C ATOM 268 O THR A 17 14.256 -17.056 3.589 1.00 35.13 O ATOM 269 CB THR A 17 17.215 -17.971 4.080 1.00 33.43 C ATOM 270 OG1 THR A 17 16.992 -18.060 2.669 1.00 1.33 O ATOM 271 CG2 THR A 17 18.312 -18.943 4.489 1.00 2.04 C ATOM 0 H THR A 17 14.979 -19.552 3.465 1.00 54.32 H new ATOM 0 HA THR A 17 16.124 -18.357 5.904 1.00 12.31 H new ATOM 0 HB THR A 17 17.535 -16.960 4.334 1.00 33.43 H new ATOM 0 HG1 THR A 17 17.827 -17.867 2.193 1.00 1.33 H new ATOM 0 HG21 THR A 17 19.225 -18.713 3.941 1.00 2.04 H new ATOM 0 HG22 THR A 17 18.499 -18.852 5.559 1.00 2.04 H new ATOM 0 HG23 THR A 17 17.999 -19.962 4.261 1.00 2.04 H new ATOM 279 N THR A 18 14.856 -16.217 5.589 1.00 1.12 N ATOM 280 CA THR A 18 13.961 -15.071 5.501 1.00 0.52 C ATOM 281 C THR A 18 14.497 -13.891 6.303 1.00 45.23 C ATOM 282 O THR A 18 14.812 -14.026 7.484 1.00 15.53 O ATOM 283 CB THR A 18 12.548 -15.422 6.006 1.00 64.43 C ATOM 284 OG1 THR A 18 11.691 -14.280 5.893 1.00 33.34 O ATOM 285 CG2 THR A 18 12.592 -15.891 7.453 1.00 40.51 C ATOM 0 H THR A 18 15.406 -16.256 6.447 1.00 1.12 H new ATOM 0 HA THR A 18 13.904 -14.794 4.448 1.00 0.52 H new ATOM 0 HB THR A 18 12.155 -16.232 5.391 1.00 64.43 H new ATOM 0 HG1 THR A 18 10.794 -14.511 6.214 1.00 33.34 H new ATOM 0 HG21 THR A 18 11.583 -16.133 7.788 1.00 40.51 H new ATOM 0 HG22 THR A 18 13.222 -16.777 7.529 1.00 40.51 H new ATOM 0 HG23 THR A 18 13.002 -15.099 8.080 1.00 40.51 H new ATOM 293 N GLU A 19 14.596 -12.736 5.653 1.00 35.24 N ATOM 294 CA GLU A 19 15.094 -11.532 6.308 1.00 14.34 C ATOM 295 C GLU A 19 14.091 -11.016 7.336 1.00 73.40 C ATOM 296 O GLU A 19 12.879 -11.081 7.123 1.00 13.11 O ATOM 297 CB GLU A 19 15.384 -10.443 5.272 1.00 73.50 C ATOM 298 CG GLU A 19 14.192 -10.111 4.389 1.00 40.15 C ATOM 299 CD GLU A 19 14.494 -9.007 3.395 1.00 11.31 C ATOM 300 OE1 GLU A 19 14.915 -7.914 3.832 1.00 30.40 O ATOM 301 OE2 GLU A 19 14.307 -9.232 2.182 1.00 34.34 O1- ATOM 0 H GLU A 19 14.338 -12.608 4.674 1.00 35.24 H new ATOM 0 HA GLU A 19 16.019 -11.788 6.825 1.00 14.34 H new ATOM 0 HB2 GLU A 19 15.706 -9.539 5.788 1.00 73.50 H new ATOM 0 HB3 GLU A 19 16.214 -10.764 4.642 1.00 73.50 H new ATOM 0 HG2 GLU A 19 13.883 -11.006 3.850 1.00 40.15 H new ATOM 0 HG3 GLU A 19 13.352 -9.811 5.016 1.00 40.15 H new ATOM 308 N ALA A 20 14.603 -10.506 8.451 1.00 74.44 N ATOM 309 CA ALA A 20 13.753 -9.979 9.511 1.00 23.12 C ATOM 310 C ALA A 20 14.504 -8.959 10.361 1.00 54.32 C ATOM 311 O ALA A 20 15.705 -8.752 10.183 1.00 42.41 O ATOM 312 CB ALA A 20 13.230 -11.112 10.382 1.00 33.00 C ATOM 0 H ALA A 20 15.603 -10.447 8.644 1.00 74.44 H new ATOM 0 HA ALA A 20 12.907 -9.473 9.046 1.00 23.12 H new ATOM 0 HB1 ALA A 20 12.597 -10.703 11.169 1.00 33.00 H new ATOM 0 HB2 ALA A 20 12.649 -11.802 9.771 1.00 33.00 H new ATOM 0 HB3 ALA A 20 14.069 -11.643 10.831 1.00 33.00 H new ATOM 318 N VAL A 21 13.789 -8.324 11.285 1.00 3.03 N ATOM 319 CA VAL A 21 14.388 -7.326 12.161 1.00 53.14 C ATOM 320 C VAL A 21 14.722 -7.921 13.525 1.00 3.01 C ATOM 321 O VAL A 21 15.608 -7.436 14.226 1.00 4.54 O ATOM 322 CB VAL A 21 13.454 -6.117 12.356 1.00 33.31 C ATOM 323 CG1 VAL A 21 13.111 -5.486 11.016 1.00 23.31 C ATOM 324 CG2 VAL A 21 12.192 -6.532 13.097 1.00 5.33 C ATOM 0 H VAL A 21 12.794 -8.484 11.445 1.00 3.03 H new ATOM 0 HA VAL A 21 15.307 -6.992 11.678 1.00 53.14 H new ATOM 0 HB VAL A 21 13.974 -5.373 12.959 1.00 33.31 H new ATOM 0 HG11 VAL A 21 12.450 -4.633 11.174 1.00 23.31 H new ATOM 0 HG12 VAL A 21 14.026 -5.151 10.527 1.00 23.31 H new ATOM 0 HG13 VAL A 21 12.611 -6.221 10.385 1.00 23.31 H new ATOM 0 HG21 VAL A 21 11.544 -5.665 13.226 1.00 5.33 H new ATOM 0 HG22 VAL A 21 11.667 -7.295 12.523 1.00 5.33 H new ATOM 0 HG23 VAL A 21 12.459 -6.933 14.074 1.00 5.33 H new ATOM 334 N ASP A 22 14.004 -8.978 13.894 1.00 31.34 N ATOM 335 CA ASP A 22 14.224 -9.642 15.174 1.00 34.11 C ATOM 336 C ASP A 22 14.184 -11.158 15.012 1.00 64.45 C ATOM 337 O ASP A 22 13.758 -11.671 13.979 1.00 24.43 O ATOM 338 CB ASP A 22 13.171 -9.197 16.190 1.00 2.35 C ATOM 339 CG ASP A 22 13.339 -7.747 16.601 1.00 12.32 C ATOM 340 OD1 ASP A 22 14.496 -7.306 16.766 1.00 25.10 O ATOM 341 OD2 ASP A 22 12.313 -7.053 16.756 1.00 2.01 O1- ATOM 0 H ASP A 22 13.266 -9.392 13.325 1.00 31.34 H new ATOM 0 HA ASP A 22 15.212 -9.359 15.538 1.00 34.11 H new ATOM 0 HB2 ASP A 22 12.177 -9.338 15.765 1.00 2.35 H new ATOM 0 HB3 ASP A 22 13.232 -9.832 17.074 1.00 2.35 H new ATOM 346 N ALA A 23 14.632 -11.870 16.041 1.00 45.21 N ATOM 347 CA ALA A 23 14.648 -13.326 16.015 1.00 14.32 C ATOM 348 C ALA A 23 13.236 -13.888 15.890 1.00 51.22 C ATOM 349 O ALA A 23 13.024 -14.929 15.269 1.00 61.02 O ATOM 350 CB ALA A 23 15.326 -13.870 17.263 1.00 11.53 C ATOM 0 H ALA A 23 14.989 -11.460 16.904 1.00 45.21 H new ATOM 0 HA ALA A 23 15.216 -13.642 15.140 1.00 14.32 H new ATOM 0 HB1 ALA A 23 15.330 -14.959 17.229 1.00 11.53 H new ATOM 0 HB2 ALA A 23 16.352 -13.504 17.308 1.00 11.53 H new ATOM 0 HB3 ALA A 23 14.782 -13.537 18.147 1.00 11.53 H new ATOM 356 N ALA A 24 12.273 -13.191 16.485 1.00 24.41 N ATOM 357 CA ALA A 24 10.880 -13.621 16.440 1.00 54.51 C ATOM 358 C ALA A 24 10.234 -13.247 15.111 1.00 3.13 C ATOM 359 O ALA A 24 9.372 -13.966 14.602 1.00 23.22 O ATOM 360 CB ALA A 24 10.102 -13.013 17.597 1.00 61.03 C ATOM 0 H ALA A 24 12.432 -12.327 17.003 1.00 24.41 H new ATOM 0 HA ALA A 24 10.857 -14.707 16.533 1.00 54.51 H new ATOM 0 HB1 ALA A 24 9.064 -13.343 17.551 1.00 61.03 H new ATOM 0 HB2 ALA A 24 10.543 -13.334 18.541 1.00 61.03 H new ATOM 0 HB3 ALA A 24 10.141 -11.926 17.530 1.00 61.03 H new ATOM 366 N THR A 25 10.653 -12.116 14.552 1.00 1.15 N ATOM 367 CA THR A 25 10.113 -11.645 13.283 1.00 53.23 C ATOM 368 C THR A 25 10.242 -12.712 12.201 1.00 30.45 C ATOM 369 O THR A 25 9.279 -13.016 11.500 1.00 63.44 O ATOM 370 CB THR A 25 10.826 -10.363 12.810 1.00 71.03 C ATOM 371 OG1 THR A 25 10.870 -9.407 13.876 1.00 61.13 O ATOM 372 CG2 THR A 25 10.113 -9.760 11.609 1.00 61.04 C ATOM 0 H THR A 25 11.365 -11.509 14.959 1.00 1.15 H new ATOM 0 HA THR A 25 9.059 -11.425 13.450 1.00 53.23 H new ATOM 0 HB THR A 25 11.842 -10.625 12.515 1.00 71.03 H new ATOM 0 HG1 THR A 25 10.273 -8.658 13.669 1.00 61.13 H new ATOM 0 HG21 THR A 25 10.634 -8.856 11.293 1.00 61.04 H new ATOM 0 HG22 THR A 25 10.106 -10.480 10.791 1.00 61.04 H new ATOM 0 HG23 THR A 25 9.088 -9.511 11.882 1.00 61.04 H new ATOM 380 N ALA A 26 11.438 -13.276 12.072 1.00 14.02 N ATOM 381 CA ALA A 26 11.691 -14.310 11.076 1.00 64.04 C ATOM 382 C ALA A 26 11.088 -15.644 11.507 1.00 75.33 C ATOM 383 O ALA A 26 10.506 -16.362 10.695 1.00 62.32 O ATOM 384 CB ALA A 26 13.186 -14.457 10.837 1.00 21.44 C ATOM 0 H ALA A 26 12.247 -13.035 12.644 1.00 14.02 H new ATOM 0 HA ALA A 26 11.213 -14.008 10.144 1.00 64.04 H new ATOM 0 HB1 ALA A 26 13.361 -15.232 10.091 1.00 21.44 H new ATOM 0 HB2 ALA A 26 13.592 -13.511 10.479 1.00 21.44 H new ATOM 0 HB3 ALA A 26 13.678 -14.733 11.770 1.00 21.44 H new ATOM 390 N GLU A 27 11.235 -15.968 12.788 1.00 43.32 N ATOM 391 CA GLU A 27 10.705 -17.217 13.323 1.00 43.14 C ATOM 392 C GLU A 27 9.220 -17.362 12.999 1.00 11.53 C ATOM 393 O GLU A 27 8.706 -18.474 12.875 1.00 74.20 O ATOM 394 CB GLU A 27 10.917 -17.280 14.837 1.00 72.21 C ATOM 395 CG GLU A 27 10.542 -18.618 15.449 1.00 34.42 C ATOM 396 CD GLU A 27 10.536 -18.585 16.966 1.00 24.33 C ATOM 397 OE1 GLU A 27 11.489 -19.117 17.573 1.00 1.45 O ATOM 398 OE2 GLU A 27 9.582 -18.026 17.545 1.00 75.42 O1- ATOM 0 H GLU A 27 11.715 -15.385 13.473 1.00 43.32 H new ATOM 0 HA GLU A 27 11.243 -18.041 12.854 1.00 43.14 H new ATOM 0 HB2 GLU A 27 11.963 -17.070 15.058 1.00 72.21 H new ATOM 0 HB3 GLU A 27 10.327 -16.495 15.311 1.00 72.21 H new ATOM 0 HG2 GLU A 27 9.555 -18.913 15.092 1.00 34.42 H new ATOM 0 HG3 GLU A 27 11.245 -19.379 15.109 1.00 34.42 H new ATOM 405 N LYS A 28 8.537 -16.231 12.867 1.00 10.53 N ATOM 406 CA LYS A 28 7.112 -16.229 12.558 1.00 11.42 C ATOM 407 C LYS A 28 6.837 -16.969 11.253 1.00 42.33 C ATOM 408 O LYS A 28 5.904 -17.766 11.164 1.00 43.53 O ATOM 409 CB LYS A 28 6.592 -14.793 12.462 1.00 1.23 C ATOM 410 CG LYS A 28 6.210 -14.193 13.804 1.00 4.35 C ATOM 411 CD LYS A 28 4.803 -14.597 14.214 1.00 51.12 C ATOM 412 CE LYS A 28 4.240 -13.663 15.275 1.00 54.21 C ATOM 413 NZ LYS A 28 3.904 -12.325 14.714 1.00 52.40 N1+ ATOM 0 H LYS A 28 8.947 -15.303 12.969 1.00 10.53 H new ATOM 0 HA LYS A 28 6.590 -16.745 13.364 1.00 11.42 H new ATOM 0 HB2 LYS A 28 7.356 -14.169 11.999 1.00 1.23 H new ATOM 0 HB3 LYS A 28 5.723 -14.773 11.804 1.00 1.23 H new ATOM 0 HG2 LYS A 28 6.920 -14.519 14.565 1.00 4.35 H new ATOM 0 HG3 LYS A 28 6.277 -13.106 13.750 1.00 4.35 H new ATOM 0 HD2 LYS A 28 4.152 -14.590 13.340 1.00 51.12 H new ATOM 0 HD3 LYS A 28 4.813 -15.618 14.595 1.00 51.12 H new ATOM 0 HE2 LYS A 28 3.347 -14.108 15.713 1.00 54.21 H new ATOM 0 HE3 LYS A 28 4.966 -13.548 16.080 1.00 54.21 H new ATOM 0 HZ1 LYS A 28 3.286 -11.816 15.377 1.00 52.40 H new ATOM 0 HZ2 LYS A 28 4.778 -11.780 14.568 1.00 52.40 H new ATOM 0 HZ3 LYS A 28 3.414 -12.443 13.805 1.00 52.40 H new ATOM 427 N VAL A 29 7.658 -16.701 10.241 1.00 55.33 N ATOM 428 CA VAL A 29 7.504 -17.342 8.941 1.00 74.14 C ATOM 429 C VAL A 29 8.217 -18.690 8.906 1.00 45.15 C ATOM 430 O VAL A 29 7.757 -19.630 8.259 1.00 41.12 O ATOM 431 CB VAL A 29 8.054 -16.455 7.809 1.00 72.33 C ATOM 432 CG1 VAL A 29 7.826 -17.112 6.457 1.00 62.33 C ATOM 433 CG2 VAL A 29 7.413 -15.076 7.855 1.00 32.35 C ATOM 0 H VAL A 29 8.436 -16.044 10.298 1.00 55.33 H new ATOM 0 HA VAL A 29 6.436 -17.494 8.787 1.00 74.14 H new ATOM 0 HB VAL A 29 9.128 -16.337 7.952 1.00 72.33 H new ATOM 0 HG11 VAL A 29 8.221 -16.470 5.669 1.00 62.33 H new ATOM 0 HG12 VAL A 29 8.335 -18.075 6.430 1.00 62.33 H new ATOM 0 HG13 VAL A 29 6.758 -17.262 6.301 1.00 62.33 H new ATOM 0 HG21 VAL A 29 7.813 -14.462 7.048 1.00 32.35 H new ATOM 0 HG22 VAL A 29 6.334 -15.172 7.737 1.00 32.35 H new ATOM 0 HG23 VAL A 29 7.633 -14.604 8.813 1.00 32.35 H new ATOM 443 N LEU A 30 9.341 -18.777 9.609 1.00 22.41 N ATOM 444 CA LEU A 30 10.118 -20.010 9.659 1.00 71.11 C ATOM 445 C LEU A 30 9.315 -21.134 10.307 1.00 21.34 C ATOM 446 O LEU A 30 9.234 -22.241 9.776 1.00 3.24 O ATOM 447 CB LEU A 30 11.418 -19.786 10.433 1.00 44.45 C ATOM 448 CG LEU A 30 12.415 -18.813 9.803 1.00 70.12 C ATOM 449 CD1 LEU A 30 13.627 -18.629 10.705 1.00 63.35 C ATOM 450 CD2 LEU A 30 12.841 -19.302 8.426 1.00 70.44 C ATOM 0 H LEU A 30 9.734 -18.008 10.152 1.00 22.41 H new ATOM 0 HA LEU A 30 10.357 -20.301 8.636 1.00 71.11 H new ATOM 0 HB2 LEU A 30 11.166 -19.422 11.429 1.00 44.45 H new ATOM 0 HB3 LEU A 30 11.912 -20.749 10.561 1.00 44.45 H new ATOM 0 HG LEU A 30 11.925 -17.846 9.687 1.00 70.12 H new ATOM 0 HD11 LEU A 30 14.325 -17.933 10.239 1.00 63.35 H new ATOM 0 HD12 LEU A 30 13.307 -18.232 11.668 1.00 63.35 H new ATOM 0 HD13 LEU A 30 14.119 -19.590 10.854 1.00 63.35 H new ATOM 0 HD21 LEU A 30 13.551 -18.597 7.993 1.00 70.44 H new ATOM 0 HD22 LEU A 30 13.312 -20.281 8.517 1.00 70.44 H new ATOM 0 HD23 LEU A 30 11.966 -19.379 7.780 1.00 70.44 H new ATOM 462 N LYS A 31 8.719 -20.839 11.458 1.00 35.54 N ATOM 463 CA LYS A 31 7.919 -21.823 12.179 1.00 4.33 C ATOM 464 C LYS A 31 6.749 -22.302 11.325 1.00 65.22 C ATOM 465 O LYS A 31 6.327 -23.454 11.425 1.00 4.33 O ATOM 466 CB LYS A 31 7.399 -21.226 13.488 1.00 23.41 C ATOM 467 CG LYS A 31 6.285 -20.211 13.295 1.00 4.34 C ATOM 468 CD LYS A 31 6.098 -19.346 14.530 1.00 42.12 C ATOM 469 CE LYS A 31 5.558 -20.155 15.700 1.00 21.52 C ATOM 470 NZ LYS A 31 5.519 -19.356 16.956 1.00 51.51 N1+ ATOM 0 H LYS A 31 8.775 -19.927 11.911 1.00 35.54 H new ATOM 0 HA LYS A 31 8.555 -22.679 12.405 1.00 4.33 H new ATOM 0 HB2 LYS A 31 7.038 -22.032 14.127 1.00 23.41 H new ATOM 0 HB3 LYS A 31 8.226 -20.749 14.014 1.00 23.41 H new ATOM 0 HG2 LYS A 31 6.513 -19.578 12.438 1.00 4.34 H new ATOM 0 HG3 LYS A 31 5.354 -20.730 13.069 1.00 4.34 H new ATOM 0 HD2 LYS A 31 7.051 -18.895 14.807 1.00 42.12 H new ATOM 0 HD3 LYS A 31 5.412 -18.530 14.303 1.00 42.12 H new ATOM 0 HE2 LYS A 31 4.555 -20.510 15.464 1.00 21.52 H new ATOM 0 HE3 LYS A 31 6.181 -21.037 15.850 1.00 21.52 H new ATOM 0 HZ1 LYS A 31 5.145 -19.943 17.729 1.00 51.51 H new ATOM 0 HZ2 LYS A 31 6.480 -19.039 17.196 1.00 51.51 H new ATOM 0 HZ3 LYS A 31 4.904 -18.528 16.822 1.00 51.51 H new ATOM 484 N GLN A 32 6.230 -21.410 10.488 1.00 0.41 N ATOM 485 CA GLN A 32 5.109 -21.744 9.617 1.00 31.03 C ATOM 486 C GLN A 32 5.539 -22.713 8.521 1.00 72.23 C ATOM 487 O GLN A 32 4.786 -23.611 8.142 1.00 71.20 O ATOM 488 CB GLN A 32 4.527 -20.475 8.992 1.00 14.11 C ATOM 489 CG GLN A 32 3.719 -19.631 9.965 1.00 32.21 C ATOM 490 CD GLN A 32 2.268 -20.061 10.045 1.00 64.43 C ATOM 491 OE1 GLN A 32 1.519 -19.942 9.076 1.00 13.23 O ATOM 492 NE2 GLN A 32 1.862 -20.564 11.206 1.00 2.52 N ATOM 0 H GLN A 32 6.567 -20.452 10.394 1.00 0.41 H new ATOM 0 HA GLN A 32 4.343 -22.228 10.223 1.00 31.03 H new ATOM 0 HB2 GLN A 32 5.341 -19.872 8.591 1.00 14.11 H new ATOM 0 HB3 GLN A 32 3.892 -20.753 8.151 1.00 14.11 H new ATOM 0 HG2 GLN A 32 4.168 -19.696 10.956 1.00 32.21 H new ATOM 0 HG3 GLN A 32 3.768 -18.586 9.661 1.00 32.21 H new ATOM 0 HE21 GLN A 32 2.517 -20.645 11.984 1.00 2.52 H new ATOM 0 HE22 GLN A 32 0.895 -20.869 11.319 1.00 2.52 H new ATOM 501 N TYR A 33 6.755 -22.526 8.018 1.00 71.01 N ATOM 502 CA TYR A 33 7.284 -23.384 6.963 1.00 11.44 C ATOM 503 C TYR A 33 7.400 -24.827 7.442 1.00 52.42 C ATOM 504 O TYR A 33 7.076 -25.762 6.711 1.00 14.22 O ATOM 505 CB TYR A 33 8.652 -22.875 6.504 1.00 65.32 C ATOM 506 CG TYR A 33 9.175 -23.577 5.272 1.00 22.44 C ATOM 507 CD1 TYR A 33 9.027 -23.012 4.011 1.00 13.33 C ATOM 508 CD2 TYR A 33 9.818 -24.805 5.368 1.00 51.13 C ATOM 509 CE1 TYR A 33 9.504 -23.650 2.881 1.00 41.43 C ATOM 510 CE2 TYR A 33 10.298 -25.449 4.244 1.00 13.20 C ATOM 511 CZ TYR A 33 10.139 -24.868 3.003 1.00 71.22 C ATOM 512 OH TYR A 33 10.615 -25.508 1.883 1.00 45.24 O ATOM 0 H TYR A 33 7.392 -21.790 8.323 1.00 71.01 H new ATOM 0 HA TYR A 33 6.591 -23.355 6.122 1.00 11.44 H new ATOM 0 HB2 TYR A 33 8.584 -21.806 6.302 1.00 65.32 H new ATOM 0 HB3 TYR A 33 9.369 -23.001 7.316 1.00 65.32 H new ATOM 0 HD1 TYR A 33 8.531 -22.058 3.912 1.00 13.33 H new ATOM 0 HD2 TYR A 33 9.945 -25.264 6.338 1.00 51.13 H new ATOM 0 HE1 TYR A 33 9.380 -23.197 1.908 1.00 41.43 H new ATOM 0 HE2 TYR A 33 10.796 -26.403 4.336 1.00 13.20 H new ATOM 0 HH TYR A 33 11.036 -26.354 2.144 1.00 45.24 H new ATOM 522 N ALA A 34 7.866 -25.000 8.675 1.00 65.10 N ATOM 523 CA ALA A 34 8.025 -26.328 9.253 1.00 15.14 C ATOM 524 C ALA A 34 6.688 -26.876 9.742 1.00 13.42 C ATOM 525 O ALA A 34 6.358 -28.037 9.504 1.00 52.15 O ATOM 526 CB ALA A 34 9.031 -26.292 10.394 1.00 34.13 C ATOM 0 H ALA A 34 8.140 -24.236 9.293 1.00 65.10 H new ATOM 0 HA ALA A 34 8.400 -26.993 8.475 1.00 15.14 H new ATOM 0 HB1 ALA A 34 9.139 -27.291 10.816 1.00 34.13 H new ATOM 0 HB2 ALA A 34 9.995 -25.951 10.018 1.00 34.13 H new ATOM 0 HB3 ALA A 34 8.680 -25.608 11.167 1.00 34.13 H new ATOM 532 N ASN A 35 5.922 -26.033 10.426 1.00 4.40 N ATOM 533 CA ASN A 35 4.621 -26.433 10.950 1.00 31.34 C ATOM 534 C ASN A 35 3.726 -26.961 9.834 1.00 43.03 C ATOM 535 O ASN A 35 3.009 -27.946 10.013 1.00 20.12 O ATOM 536 CB ASN A 35 3.944 -25.253 11.649 1.00 3.41 C ATOM 537 CG ASN A 35 2.576 -25.612 12.195 1.00 1.54 C ATOM 538 OD1 ASN A 35 2.404 -26.645 12.842 1.00 2.23 O ATOM 539 ND2 ASN A 35 1.592 -24.758 11.935 1.00 14.42 N ATOM 0 H ASN A 35 6.180 -25.068 10.631 1.00 4.40 H new ATOM 0 HA ASN A 35 4.778 -27.232 11.674 1.00 31.34 H new ATOM 0 HB2 ASN A 35 4.578 -24.905 12.465 1.00 3.41 H new ATOM 0 HB3 ASN A 35 3.846 -24.426 10.946 1.00 3.41 H new ATOM 0 HD21 ASN A 35 0.649 -24.947 12.276 1.00 14.42 H new ATOM 0 HD22 ASN A 35 1.779 -23.913 11.395 1.00 14.42 H new ATOM 546 N ASP A 36 3.771 -26.299 8.683 1.00 53.14 N ATOM 547 CA ASP A 36 2.965 -26.702 7.537 1.00 3.55 C ATOM 548 C ASP A 36 3.252 -28.150 7.153 1.00 42.33 C ATOM 549 O ASP A 36 2.404 -28.830 6.575 1.00 4.33 O ATOM 550 CB ASP A 36 3.236 -25.780 6.347 1.00 33.04 C ATOM 551 CG ASP A 36 2.147 -25.857 5.295 1.00 53.01 C ATOM 552 OD1 ASP A 36 1.406 -24.864 5.133 1.00 24.45 O ATOM 553 OD2 ASP A 36 2.034 -26.909 4.632 1.00 4.10 O1- ATOM 0 H ASP A 36 4.357 -25.481 8.519 1.00 53.14 H new ATOM 0 HA ASP A 36 1.914 -26.622 7.816 1.00 3.55 H new ATOM 0 HB2 ASP A 36 3.324 -24.752 6.700 1.00 33.04 H new ATOM 0 HB3 ASP A 36 4.192 -26.045 5.896 1.00 33.04 H new ATOM 558 N ASN A 37 4.455 -28.614 7.475 1.00 42.23 N ATOM 559 CA ASN A 37 4.855 -29.983 7.162 1.00 52.53 C ATOM 560 C ASN A 37 4.735 -30.879 8.390 1.00 42.51 C ATOM 561 O ASN A 37 5.375 -31.927 8.471 1.00 31.02 O ATOM 562 CB ASN A 37 6.292 -30.007 6.636 1.00 15.40 C ATOM 563 CG ASN A 37 6.413 -29.396 5.254 1.00 24.42 C ATOM 564 OD1 ASN A 37 6.679 -30.094 4.276 1.00 60.52 O ATOM 565 ND2 ASN A 37 6.215 -28.085 5.167 1.00 73.23 N ATOM 0 H ASN A 37 5.170 -28.064 7.952 1.00 42.23 H new ATOM 0 HA ASN A 37 4.186 -30.364 6.391 1.00 52.53 H new ATOM 0 HB2 ASN A 37 6.938 -29.466 7.327 1.00 15.40 H new ATOM 0 HB3 ASN A 37 6.648 -31.037 6.607 1.00 15.40 H new ATOM 0 HD21 ASN A 37 6.281 -27.618 4.263 1.00 73.23 H new ATOM 0 HD22 ASN A 37 5.997 -27.546 6.005 1.00 73.23 H new ATOM 572 N GLY A 38 3.910 -30.459 9.345 1.00 51.42 N ATOM 573 CA GLY A 38 3.720 -31.237 10.555 1.00 22.24 C ATOM 574 C GLY A 38 5.014 -31.444 11.320 1.00 34.14 C ATOM 575 O GLY A 38 5.237 -32.509 11.894 1.00 33.12 O ATOM 0 H GLY A 38 3.370 -29.594 9.302 1.00 51.42 H new ATOM 0 HA2 GLY A 38 2.998 -30.733 11.198 1.00 22.24 H new ATOM 0 HA3 GLY A 38 3.295 -32.207 10.297 1.00 22.24 H new ATOM 579 N ILE A 39 5.866 -30.425 11.323 1.00 5.41 N ATOM 580 CA ILE A 39 7.143 -30.503 12.021 1.00 43.12 C ATOM 581 C ILE A 39 7.062 -29.835 13.390 1.00 65.21 C ATOM 582 O ILE A 39 6.607 -28.698 13.512 1.00 75.24 O ATOM 583 CB ILE A 39 8.271 -29.842 11.207 1.00 74.04 C ATOM 584 CG1 ILE A 39 8.384 -30.496 9.827 1.00 32.44 C ATOM 585 CG2 ILE A 39 9.591 -29.939 11.955 1.00 24.24 C ATOM 586 CD1 ILE A 39 9.270 -29.732 8.868 1.00 45.32 C ATOM 0 H ILE A 39 5.696 -29.537 10.851 1.00 5.41 H new ATOM 0 HA ILE A 39 7.369 -31.562 12.148 1.00 43.12 H new ATOM 0 HB ILE A 39 8.031 -28.788 11.070 1.00 74.04 H new ATOM 0 HG12 ILE A 39 8.775 -31.507 9.944 1.00 32.44 H new ATOM 0 HG13 ILE A 39 7.388 -30.588 9.394 1.00 32.44 H new ATOM 0 HG21 ILE A 39 10.378 -29.467 11.367 1.00 24.24 H new ATOM 0 HG22 ILE A 39 9.503 -29.432 12.916 1.00 24.24 H new ATOM 0 HG23 ILE A 39 9.840 -30.987 12.120 1.00 24.24 H new ATOM 0 HD11 ILE A 39 9.304 -30.252 7.911 1.00 45.32 H new ATOM 0 HD12 ILE A 39 8.868 -28.729 8.722 1.00 45.32 H new ATOM 0 HD13 ILE A 39 10.277 -29.663 9.279 1.00 45.32 H new ATOM 598 N ASP A 40 7.509 -30.550 14.418 1.00 61.20 N ATOM 599 CA ASP A 40 7.490 -30.026 15.779 1.00 24.44 C ATOM 600 C ASP A 40 8.510 -30.748 16.653 1.00 75.15 C ATOM 601 O ASP A 40 8.579 -31.976 16.659 1.00 21.14 O ATOM 602 CB ASP A 40 6.091 -30.166 16.383 1.00 21.12 C ATOM 603 CG ASP A 40 5.876 -29.241 17.564 1.00 61.13 C ATOM 604 OD1 ASP A 40 4.719 -29.116 18.016 1.00 32.42 O ATOM 605 OD2 ASP A 40 6.865 -28.642 18.037 1.00 33.42 O1- ATOM 0 H ASP A 40 7.888 -31.493 14.334 1.00 61.20 H new ATOM 0 HA ASP A 40 7.756 -28.970 15.739 1.00 24.44 H new ATOM 0 HB2 ASP A 40 5.345 -29.953 15.618 1.00 21.12 H new ATOM 0 HB3 ASP A 40 5.937 -31.197 16.700 1.00 21.12 H new ATOM 610 N GLY A 41 9.303 -29.976 17.390 1.00 21.24 N ATOM 611 CA GLY A 41 10.310 -30.558 18.257 1.00 13.12 C ATOM 612 C GLY A 41 11.009 -29.522 19.114 1.00 54.42 C ATOM 613 O GLY A 41 10.434 -28.481 19.430 1.00 31.04 O ATOM 0 H GLY A 41 9.266 -28.957 17.402 1.00 21.24 H new ATOM 0 HA2 GLY A 41 9.843 -31.303 18.902 1.00 13.12 H new ATOM 0 HA3 GLY A 41 11.049 -31.081 17.650 1.00 13.12 H new ATOM 617 N GLU A 42 12.249 -29.809 19.495 1.00 64.11 N ATOM 618 CA GLU A 42 13.025 -28.894 20.323 1.00 65.43 C ATOM 619 C GLU A 42 13.597 -27.754 19.486 1.00 12.22 C ATOM 620 O GLU A 42 14.686 -27.868 18.925 1.00 14.12 O ATOM 621 CB GLU A 42 14.158 -29.643 21.027 1.00 1.43 C ATOM 622 CG GLU A 42 14.882 -28.810 22.071 1.00 20.13 C ATOM 623 CD GLU A 42 16.322 -29.243 22.266 1.00 40.20 C ATOM 624 OE1 GLU A 42 16.571 -30.092 23.147 1.00 2.41 O ATOM 625 OE2 GLU A 42 17.200 -28.732 21.539 1.00 21.53 O1- ATOM 0 H GLU A 42 12.738 -30.668 19.243 1.00 64.11 H new ATOM 0 HA GLU A 42 12.358 -28.471 21.074 1.00 65.43 H new ATOM 0 HB2 GLU A 42 13.751 -30.535 21.504 1.00 1.43 H new ATOM 0 HB3 GLU A 42 14.877 -29.981 20.281 1.00 1.43 H new ATOM 0 HG2 GLU A 42 14.859 -27.762 21.774 1.00 20.13 H new ATOM 0 HG3 GLU A 42 14.352 -28.884 23.021 1.00 20.13 H new ATOM 632 N TRP A 43 12.854 -26.656 19.406 1.00 12.33 N ATOM 633 CA TRP A 43 13.287 -25.494 18.637 1.00 44.33 C ATOM 634 C TRP A 43 14.320 -24.683 19.412 1.00 24.52 C ATOM 635 O TRP A 43 14.127 -24.372 20.587 1.00 14.53 O ATOM 636 CB TRP A 43 12.087 -24.613 18.285 1.00 25.15 C ATOM 637 CG TRP A 43 11.314 -25.108 17.101 1.00 35.14 C ATOM 638 CD1 TRP A 43 10.424 -26.144 17.077 1.00 73.03 C ATOM 639 CD2 TRP A 43 11.364 -24.589 15.767 1.00 24.03 C ATOM 640 NE1 TRP A 43 9.918 -26.299 15.810 1.00 43.32 N ATOM 641 CE2 TRP A 43 10.478 -25.358 14.988 1.00 4.35 C ATOM 642 CE3 TRP A 43 12.070 -23.549 15.157 1.00 72.51 C ATOM 643 CZ2 TRP A 43 10.281 -25.118 13.631 1.00 45.31 C ATOM 644 CZ3 TRP A 43 11.874 -23.312 13.810 1.00 3.34 C ATOM 645 CH2 TRP A 43 10.986 -24.093 13.059 1.00 12.41 C ATOM 0 H TRP A 43 11.949 -26.546 19.864 1.00 12.33 H new ATOM 0 HA TRP A 43 13.749 -25.850 17.716 1.00 44.33 H new ATOM 0 HB2 TRP A 43 11.422 -24.557 19.147 1.00 25.15 H new ATOM 0 HB3 TRP A 43 12.436 -23.600 18.085 1.00 25.15 H new ATOM 0 HD1 TRP A 43 10.158 -26.752 17.929 1.00 73.03 H new ATOM 0 HE1 TRP A 43 9.235 -27.002 15.527 1.00 43.32 H new ATOM 0 HE3 TRP A 43 12.756 -22.941 15.728 1.00 72.51 H new ATOM 0 HZ2 TRP A 43 9.597 -25.719 13.050 1.00 45.31 H new ATOM 0 HZ3 TRP A 43 12.415 -22.511 13.328 1.00 3.34 H new ATOM 0 HH2 TRP A 43 10.855 -23.882 12.008 1.00 12.41 H new ATOM 656 N THR A 44 15.419 -24.342 18.746 1.00 34.53 N ATOM 657 CA THR A 44 16.482 -23.567 19.371 1.00 65.03 C ATOM 658 C THR A 44 16.944 -22.432 18.465 1.00 54.41 C ATOM 659 O THR A 44 16.504 -22.322 17.319 1.00 30.31 O ATOM 660 CB THR A 44 17.692 -24.454 19.720 1.00 61.21 C ATOM 661 OG1 THR A 44 18.402 -24.806 18.527 1.00 24.22 O ATOM 662 CG2 THR A 44 17.248 -25.716 20.444 1.00 35.31 C ATOM 0 H THR A 44 15.595 -24.591 17.773 1.00 34.53 H new ATOM 0 HA THR A 44 16.069 -23.149 20.289 1.00 65.03 H new ATOM 0 HB THR A 44 18.350 -23.889 20.380 1.00 61.21 H new ATOM 0 HG1 THR A 44 17.843 -25.392 17.975 1.00 24.22 H new ATOM 0 HG21 THR A 44 18.120 -26.326 20.680 1.00 35.31 H new ATOM 0 HG22 THR A 44 16.735 -25.445 21.367 1.00 35.31 H new ATOM 0 HG23 THR A 44 16.571 -26.283 19.805 1.00 35.31 H new ATOM 670 N TYR A 45 17.832 -21.592 18.982 1.00 42.04 N ATOM 671 CA TYR A 45 18.351 -20.463 18.217 1.00 11.43 C ATOM 672 C TYR A 45 19.684 -19.987 18.788 1.00 51.14 C ATOM 673 O TYR A 45 19.994 -20.225 19.955 1.00 5.30 O ATOM 674 CB TYR A 45 17.343 -19.312 18.218 1.00 44.21 C ATOM 675 CG TYR A 45 17.223 -18.614 19.555 1.00 0.20 C ATOM 676 CD1 TYR A 45 16.408 -19.126 20.558 1.00 21.12 C ATOM 677 CD2 TYR A 45 17.923 -17.441 19.813 1.00 61.13 C ATOM 678 CE1 TYR A 45 16.294 -18.490 21.778 1.00 52.42 C ATOM 679 CE2 TYR A 45 17.816 -16.801 21.033 1.00 11.21 C ATOM 680 CZ TYR A 45 17.000 -17.328 22.012 1.00 74.21 C ATOM 681 OH TYR A 45 16.891 -16.693 23.227 1.00 75.43 O ATOM 0 H TYR A 45 18.208 -21.670 19.927 1.00 42.04 H new ATOM 0 HA TYR A 45 18.512 -20.794 17.191 1.00 11.43 H new ATOM 0 HB2 TYR A 45 17.635 -18.583 17.462 1.00 44.21 H new ATOM 0 HB3 TYR A 45 16.365 -19.696 17.929 1.00 44.21 H new ATOM 0 HD1 TYR A 45 15.855 -20.036 20.380 1.00 21.12 H new ATOM 0 HD2 TYR A 45 18.561 -17.023 19.048 1.00 61.13 H new ATOM 0 HE1 TYR A 45 15.655 -18.900 22.546 1.00 52.42 H new ATOM 0 HE2 TYR A 45 18.369 -15.892 21.219 1.00 11.21 H new ATOM 0 HH TYR A 45 17.453 -15.890 23.228 1.00 75.43 H new ATOM 691 N ASP A 46 20.468 -19.311 17.955 1.00 21.33 N ATOM 692 CA ASP A 46 21.769 -18.800 18.374 1.00 1.32 C ATOM 693 C ASP A 46 21.887 -17.308 18.074 1.00 61.15 C ATOM 694 O ASP A 46 21.457 -16.841 17.019 1.00 72.22 O ATOM 695 CB ASP A 46 22.892 -19.565 17.673 1.00 43.44 C ATOM 696 CG ASP A 46 24.162 -19.612 18.498 1.00 51.23 C ATOM 697 OD1 ASP A 46 25.252 -19.758 17.905 1.00 21.34 O ATOM 698 OD2 ASP A 46 24.067 -19.502 19.739 1.00 62.22 O1- ATOM 0 H ASP A 46 20.226 -19.104 16.986 1.00 21.33 H new ATOM 0 HA ASP A 46 21.860 -18.945 19.450 1.00 1.32 H new ATOM 0 HB2 ASP A 46 22.560 -20.582 17.464 1.00 43.44 H new ATOM 0 HB3 ASP A 46 23.103 -19.095 16.712 1.00 43.44 H new ATOM 703 N ASP A 47 22.472 -16.568 19.008 1.00 41.54 N ATOM 704 CA ASP A 47 22.648 -15.129 18.843 1.00 4.41 C ATOM 705 C ASP A 47 23.981 -14.817 18.170 1.00 62.25 C ATOM 706 O ASP A 47 24.138 -13.776 17.534 1.00 5.11 O ATOM 707 CB ASP A 47 22.571 -14.426 20.200 1.00 71.13 C ATOM 708 CG ASP A 47 22.305 -12.940 20.068 1.00 1.25 C ATOM 709 OD1 ASP A 47 21.119 -12.551 20.026 1.00 61.20 O ATOM 710 OD2 ASP A 47 23.282 -12.164 20.006 1.00 74.15 O1- ATOM 0 H ASP A 47 22.832 -16.939 19.887 1.00 41.54 H new ATOM 0 HA ASP A 47 21.845 -14.761 18.205 1.00 4.41 H new ATOM 0 HB2 ASP A 47 21.782 -14.882 20.798 1.00 71.13 H new ATOM 0 HB3 ASP A 47 23.506 -14.578 20.738 1.00 71.13 H new ATOM 715 N ALA A 48 24.938 -15.727 18.315 1.00 25.10 N ATOM 716 CA ALA A 48 26.257 -15.550 17.721 1.00 40.24 C ATOM 717 C ALA A 48 26.236 -15.880 16.232 1.00 31.42 C ATOM 718 O ALA A 48 26.733 -15.110 15.408 1.00 53.32 O ATOM 719 CB ALA A 48 27.281 -16.416 18.440 1.00 4.21 C ATOM 0 H ALA A 48 24.824 -16.595 18.839 1.00 25.10 H new ATOM 0 HA ALA A 48 26.541 -14.503 17.832 1.00 40.24 H new ATOM 0 HB1 ALA A 48 28.261 -16.273 17.985 1.00 4.21 H new ATOM 0 HB2 ALA A 48 27.324 -16.132 19.491 1.00 4.21 H new ATOM 0 HB3 ALA A 48 26.992 -17.464 18.359 1.00 4.21 H new ATOM 725 N THR A 49 25.658 -17.028 15.892 1.00 12.11 N ATOM 726 CA THR A 49 25.574 -17.459 14.503 1.00 74.11 C ATOM 727 C THR A 49 24.306 -16.935 13.840 1.00 70.20 C ATOM 728 O THR A 49 24.196 -16.917 12.614 1.00 32.42 O ATOM 729 CB THR A 49 25.602 -18.995 14.389 1.00 24.41 C ATOM 730 OG1 THR A 49 24.367 -19.544 14.859 1.00 1.21 O ATOM 731 CG2 THR A 49 26.759 -19.576 15.190 1.00 41.21 C ATOM 0 H THR A 49 25.241 -17.676 16.560 1.00 12.11 H new ATOM 0 HA THR A 49 26.444 -17.048 13.992 1.00 74.11 H new ATOM 0 HB THR A 49 25.739 -19.257 13.340 1.00 24.41 H new ATOM 0 HG1 THR A 49 24.393 -20.521 14.782 1.00 1.21 H new ATOM 0 HG21 THR A 49 26.759 -20.662 15.095 1.00 41.21 H new ATOM 0 HG22 THR A 49 27.700 -19.179 14.810 1.00 41.21 H new ATOM 0 HG23 THR A 49 26.648 -19.304 16.240 1.00 41.21 H new ATOM 739 N LYS A 50 23.350 -16.508 14.657 1.00 21.45 N ATOM 740 CA LYS A 50 22.088 -15.981 14.150 1.00 24.50 C ATOM 741 C LYS A 50 21.374 -17.015 13.286 1.00 44.50 C ATOM 742 O LYS A 50 20.833 -16.689 12.230 1.00 62.24 O ATOM 743 CB LYS A 50 22.333 -14.705 13.340 1.00 43.32 C ATOM 744 CG LYS A 50 22.530 -13.468 14.200 1.00 63.34 C ATOM 745 CD LYS A 50 21.229 -13.032 14.855 1.00 34.24 C ATOM 746 CE LYS A 50 21.479 -12.043 15.983 1.00 43.43 C ATOM 747 NZ LYS A 50 22.076 -10.773 15.486 1.00 51.44 N1+ ATOM 0 H LYS A 50 23.425 -16.516 15.674 1.00 21.45 H new ATOM 0 HA LYS A 50 21.452 -15.746 15.004 1.00 24.50 H new ATOM 0 HB2 LYS A 50 23.214 -14.846 12.713 1.00 43.32 H new ATOM 0 HB3 LYS A 50 21.488 -14.541 12.671 1.00 43.32 H new ATOM 0 HG2 LYS A 50 23.275 -13.673 14.969 1.00 63.34 H new ATOM 0 HG3 LYS A 50 22.920 -12.656 13.587 1.00 63.34 H new ATOM 0 HD2 LYS A 50 20.579 -12.577 14.108 1.00 34.24 H new ATOM 0 HD3 LYS A 50 20.705 -13.905 15.244 1.00 34.24 H new ATOM 0 HE2 LYS A 50 20.539 -11.828 16.492 1.00 43.43 H new ATOM 0 HE3 LYS A 50 22.145 -12.493 16.720 1.00 43.43 H new ATOM 0 HZ1 LYS A 50 22.199 -10.113 16.280 1.00 51.44 H new ATOM 0 HZ2 LYS A 50 23.001 -10.970 15.053 1.00 51.44 H new ATOM 0 HZ3 LYS A 50 21.445 -10.347 14.777 1.00 51.44 H new ATOM 761 N THR A 51 21.376 -18.264 13.741 1.00 11.32 N ATOM 762 CA THR A 51 20.729 -19.345 13.012 1.00 1.22 C ATOM 763 C THR A 51 19.834 -20.172 13.929 1.00 61.11 C ATOM 764 O THR A 51 20.155 -20.382 15.099 1.00 14.31 O ATOM 765 CB THR A 51 21.764 -20.274 12.349 1.00 32.44 C ATOM 766 OG1 THR A 51 22.562 -19.534 11.420 1.00 5.41 O ATOM 767 CG2 THR A 51 21.076 -21.426 11.631 1.00 11.53 C ATOM 0 H THR A 51 21.820 -18.551 14.613 1.00 11.32 H new ATOM 0 HA THR A 51 20.119 -18.881 12.237 1.00 1.22 H new ATOM 0 HB THR A 51 22.404 -20.685 13.130 1.00 32.44 H new ATOM 0 HG1 THR A 51 23.019 -18.805 11.889 1.00 5.41 H new ATOM 0 HG21 THR A 51 21.827 -22.068 11.171 1.00 11.53 H new ATOM 0 HG22 THR A 51 20.493 -22.005 12.347 1.00 11.53 H new ATOM 0 HG23 THR A 51 20.415 -21.031 10.860 1.00 11.53 H new ATOM 775 N PHE A 52 18.713 -20.638 13.391 1.00 30.20 N ATOM 776 CA PHE A 52 17.771 -21.443 14.163 1.00 4.54 C ATOM 777 C PHE A 52 17.883 -22.918 13.790 1.00 30.30 C ATOM 778 O PHE A 52 18.135 -23.261 12.634 1.00 21.14 O ATOM 779 CB PHE A 52 16.341 -20.953 13.931 1.00 12.04 C ATOM 780 CG PHE A 52 16.092 -19.565 14.446 1.00 74.44 C ATOM 781 CD1 PHE A 52 15.337 -19.361 15.591 1.00 35.05 C ATOM 782 CD2 PHE A 52 16.612 -18.463 13.788 1.00 63.21 C ATOM 783 CE1 PHE A 52 15.107 -18.084 16.068 1.00 30.21 C ATOM 784 CE2 PHE A 52 16.386 -17.184 14.259 1.00 0.41 C ATOM 785 CZ PHE A 52 15.630 -16.994 15.401 1.00 61.44 C ATOM 0 H PHE A 52 18.433 -20.473 12.424 1.00 30.20 H new ATOM 0 HA PHE A 52 18.018 -21.334 15.219 1.00 4.54 H new ATOM 0 HB2 PHE A 52 16.125 -20.980 12.863 1.00 12.04 H new ATOM 0 HB3 PHE A 52 15.647 -21.641 14.414 1.00 12.04 H new ATOM 0 HD1 PHE A 52 14.924 -20.209 16.116 1.00 35.05 H new ATOM 0 HD2 PHE A 52 17.202 -18.605 12.895 1.00 63.21 H new ATOM 0 HE1 PHE A 52 14.519 -17.939 16.962 1.00 30.21 H new ATOM 0 HE2 PHE A 52 16.799 -16.334 13.736 1.00 0.41 H new ATOM 0 HZ PHE A 52 15.449 -15.995 15.770 1.00 61.44 H new ATOM 795 N THR A 53 17.694 -23.788 14.777 1.00 0.11 N ATOM 796 CA THR A 53 17.775 -25.226 14.554 1.00 21.01 C ATOM 797 C THR A 53 16.833 -25.979 15.486 1.00 13.54 C ATOM 798 O THR A 53 16.813 -25.739 16.693 1.00 65.33 O ATOM 799 CB THR A 53 19.210 -25.747 14.760 1.00 71.55 C ATOM 800 OG1 THR A 53 20.101 -25.105 13.843 1.00 33.14 O ATOM 801 CG2 THR A 53 19.271 -27.254 14.565 1.00 42.43 C ATOM 0 H THR A 53 17.484 -23.522 15.739 1.00 0.11 H new ATOM 0 HA THR A 53 17.478 -25.404 13.520 1.00 21.01 H new ATOM 0 HB THR A 53 19.514 -25.516 15.781 1.00 71.55 H new ATOM 0 HG1 THR A 53 21.011 -25.441 13.982 1.00 33.14 H new ATOM 0 HG21 THR A 53 20.294 -27.599 14.715 1.00 42.43 H new ATOM 0 HG22 THR A 53 18.614 -27.741 15.286 1.00 42.43 H new ATOM 0 HG23 THR A 53 18.949 -27.503 13.554 1.00 42.43 H new ATOM 809 N VAL A 54 16.053 -26.895 14.918 1.00 41.10 N ATOM 810 CA VAL A 54 15.110 -27.687 15.700 1.00 72.00 C ATOM 811 C VAL A 54 15.404 -29.177 15.571 1.00 45.11 C ATOM 812 O VAL A 54 15.636 -29.683 14.472 1.00 12.34 O ATOM 813 CB VAL A 54 13.657 -27.422 15.262 1.00 0.11 C ATOM 814 CG1 VAL A 54 13.469 -27.775 13.794 1.00 3.22 C ATOM 815 CG2 VAL A 54 12.687 -28.202 16.136 1.00 74.40 C ATOM 0 H VAL A 54 16.056 -27.106 13.920 1.00 41.10 H new ATOM 0 HA VAL A 54 15.229 -27.385 16.741 1.00 72.00 H new ATOM 0 HB VAL A 54 13.446 -26.360 15.385 1.00 0.11 H new ATOM 0 HG11 VAL A 54 12.437 -27.581 13.503 1.00 3.22 H new ATOM 0 HG12 VAL A 54 14.138 -27.167 13.185 1.00 3.22 H new ATOM 0 HG13 VAL A 54 13.697 -28.830 13.641 1.00 3.22 H new ATOM 0 HG21 VAL A 54 11.665 -28.003 15.813 1.00 74.40 H new ATOM 0 HG22 VAL A 54 12.894 -29.268 16.048 1.00 74.40 H new ATOM 0 HG23 VAL A 54 12.805 -27.894 17.175 1.00 74.40 H new ATOM 825 N THR A 55 15.393 -29.877 16.701 1.00 72.33 N ATOM 826 CA THR A 55 15.659 -31.310 16.714 1.00 3.13 C ATOM 827 C THR A 55 14.368 -32.107 16.865 1.00 12.32 C ATOM 828 O THR A 55 13.805 -32.194 17.957 1.00 74.03 O ATOM 829 CB THR A 55 16.621 -31.691 17.856 1.00 4.31 C ATOM 830 OG1 THR A 55 17.635 -30.690 17.997 1.00 72.43 O ATOM 831 CG2 THR A 55 17.269 -33.041 17.588 1.00 14.14 C ATOM 0 H THR A 55 15.203 -29.475 17.619 1.00 72.33 H new ATOM 0 HA THR A 55 16.124 -31.555 15.759 1.00 3.13 H new ATOM 0 HB THR A 55 16.046 -31.757 18.780 1.00 4.31 H new ATOM 0 HG1 THR A 55 18.241 -30.939 18.726 1.00 72.43 H new ATOM 0 HG21 THR A 55 17.944 -33.290 18.407 1.00 14.14 H new ATOM 0 HG22 THR A 55 16.497 -33.806 17.509 1.00 14.14 H new ATOM 0 HG23 THR A 55 17.831 -32.996 16.655 1.00 14.14 H new ATOM 839 N GLU A 56 13.905 -32.689 15.764 1.00 21.23 N ATOM 840 CA GLU A 56 12.680 -33.479 15.776 1.00 55.12 C ATOM 841 C GLU A 56 12.976 -34.935 16.125 1.00 33.02 C ATOM 842 O GLU A 56 12.240 -35.562 16.886 1.00 51.44 O ATOM 843 CB GLU A 56 11.984 -33.401 14.415 1.00 55.30 C ATOM 844 CG GLU A 56 10.965 -32.278 14.316 1.00 43.44 C ATOM 845 CD GLU A 56 11.609 -30.924 14.096 1.00 30.12 C ATOM 846 OE1 GLU A 56 12.720 -30.882 13.525 1.00 71.33 O ATOM 847 OE2 GLU A 56 11.004 -29.906 14.493 1.00 70.21 O1- ATOM 0 H GLU A 56 14.359 -32.628 14.853 1.00 21.23 H new ATOM 0 HA GLU A 56 12.019 -33.067 16.539 1.00 55.12 H new ATOM 0 HB2 GLU A 56 12.737 -33.267 13.638 1.00 55.30 H new ATOM 0 HB3 GLU A 56 11.487 -34.350 14.216 1.00 55.30 H new ATOM 0 HG2 GLU A 56 10.278 -32.487 13.496 1.00 43.44 H new ATOM 0 HG3 GLU A 56 10.371 -32.250 15.230 1.00 43.44 H new