USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 844 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: C 13 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.6!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.0662 K(o=-0.063,f=-1.8!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0.00361 USER MOD Set 4.1: A 11 SER OG : rot -89:sc= 0.0167 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0278) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= -0.0623 (180deg=-0.486) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0771 K(o=-0.077,f=-1.4) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 35 ASN : amide:sc= -0.0533 K(o=-0.053,f=-1.7) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= -0.0215 (180deg=-0.191) USER MOD Single : A 43 HIS : no HE2:sc= -1.1 K(o=-1.1,f=-1.8) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.935 K(o=0.93,f=0) USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ -163:sc= -0.0442 (180deg=-0.311) USER MOD Single : C 26 SER OG : rot 180:sc= -0.0101 USER MOD Single : C 28 GLN : amide:sc= -0.66 K(o=-0.66,f=-1.5) USER MOD Single : C 29 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : C 35 ASN : amide:sc= -0.0415 K(o=-0.042,f=-1.8) USER MOD Single : C 38 LYS NZ :NH3+ -169:sc=-0.00416 (180deg=-0.185) USER MOD Single : C 43 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-2.3) USER MOD Single : C 48 TYR OH : rot -2:sc= 1.24 USER MOD Single : C 49 GLN : amide:sc= 0.908 K(o=0.91,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.152 2.903 -1.663 1.00 0.00 N ATOM 2 CA MET A 1 -12.078 2.379 -0.798 1.00 0.00 C ATOM 3 C MET A 1 -12.069 0.861 -0.822 1.00 0.00 C ATOM 4 O MET A 1 -13.106 0.240 -0.615 1.00 0.00 O ATOM 5 CB MET A 1 -12.277 2.817 0.653 1.00 0.00 C ATOM 6 CG MET A 1 -11.150 2.290 1.545 1.00 0.00 C ATOM 7 SD MET A 1 -9.591 3.180 1.391 1.00 0.00 S ATOM 8 CE MET A 1 -10.022 4.567 2.466 1.00 0.00 C ATOM 0 H1 MET A 1 -13.144 3.943 -1.635 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.999 2.582 -2.640 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.072 2.555 -1.324 1.00 0.00 H new ATOM 0 HA MET A 1 -11.137 2.774 -1.181 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.309 3.905 0.707 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.236 2.451 1.019 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.477 2.333 2.584 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.978 1.240 1.308 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.154 5.215 2.590 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.837 5.135 2.018 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.335 4.189 3.439 1.00 0.00 H new ATOM 20 N LEU A 2 -10.907 0.261 -1.071 1.00 0.00 N ATOM 21 CA LEU A 2 -10.734 -1.179 -1.018 1.00 0.00 C ATOM 22 C LEU A 2 -9.608 -1.459 -0.026 1.00 0.00 C ATOM 23 O LEU A 2 -8.435 -1.244 -0.335 1.00 0.00 O ATOM 24 CB LEU A 2 -10.446 -1.695 -2.436 1.00 0.00 C ATOM 25 CG LEU A 2 -10.448 -3.223 -2.581 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.020 -3.742 -2.577 1.00 0.00 C ATOM 27 CD2 LEU A 2 -11.197 -3.964 -1.478 1.00 0.00 C ATOM 0 H LEU A 2 -10.057 0.768 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.626 -1.703 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.189 -1.279 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.475 -1.316 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.964 -3.416 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.027 -4.827 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.471 -3.302 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.537 -3.470 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.146 -5.037 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.741 -3.739 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.240 -3.646 -1.469 1.00 0.00 H new ATOM 39 N ILE A 3 -9.968 -1.932 1.169 1.00 0.00 N ATOM 40 CA ILE A 3 -9.008 -2.264 2.209 1.00 0.00 C ATOM 41 C ILE A 3 -8.473 -3.670 1.961 1.00 0.00 C ATOM 42 O ILE A 3 -9.181 -4.534 1.448 1.00 0.00 O ATOM 43 CB ILE A 3 -9.652 -2.214 3.604 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.071 -0.794 4.005 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.614 -2.669 4.637 1.00 0.00 C ATOM 46 CD1 ILE A 3 -11.462 -0.433 3.502 1.00 0.00 C ATOM 0 H ILE A 3 -10.939 -2.094 1.438 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.201 -1.532 2.176 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.534 -2.854 3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.046 -0.704 5.091 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.348 -0.080 3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.055 -2.639 5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.297 -3.687 4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.751 -2.004 4.602 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.709 0.582 3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.483 -0.494 2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.191 -1.128 3.918 1.00 0.00 H new ATOM 58 N LEU A 4 -7.214 -3.882 2.342 1.00 0.00 N ATOM 59 CA LEU A 4 -6.566 -5.178 2.326 1.00 0.00 C ATOM 60 C LEU A 4 -5.735 -5.293 3.600 1.00 0.00 C ATOM 61 O LEU A 4 -5.472 -4.287 4.259 1.00 0.00 O ATOM 62 CB LEU A 4 -5.666 -5.296 1.090 1.00 0.00 C ATOM 63 CG LEU A 4 -6.455 -5.283 -0.225 1.00 0.00 C ATOM 64 CD1 LEU A 4 -5.485 -5.252 -1.404 1.00 0.00 C ATOM 65 CD2 LEU A 4 -7.343 -6.523 -0.345 1.00 0.00 C ATOM 0 H LEU A 4 -6.607 -3.134 2.678 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.304 -5.979 2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.951 -4.473 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.090 -6.219 1.153 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.088 -4.395 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.047 -5.243 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.867 -4.356 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.847 -6.135 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.891 -6.488 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.722 -7.419 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.049 -6.547 0.485 1.00 0.00 H new ATOM 77 N THR A 5 -5.328 -6.510 3.947 1.00 0.00 N ATOM 78 CA THR A 5 -4.458 -6.730 5.095 1.00 0.00 C ATOM 79 C THR A 5 -3.233 -7.504 4.641 1.00 0.00 C ATOM 80 O THR A 5 -3.343 -8.433 3.840 1.00 0.00 O ATOM 81 CB THR A 5 -5.180 -7.479 6.215 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.767 -8.663 5.731 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.263 -6.608 6.836 1.00 0.00 C ATOM 0 H THR A 5 -5.588 -7.360 3.447 1.00 0.00 H new ATOM 0 HA THR A 5 -4.159 -5.763 5.499 1.00 0.00 H new ATOM 0 HB THR A 5 -4.437 -7.729 6.972 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.222 -9.126 6.465 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.764 -7.161 7.631 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.812 -5.706 7.250 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.990 -6.332 6.072 1.00 0.00 H new ATOM 91 N ARG A 6 -2.062 -7.124 5.151 1.00 0.00 N ATOM 92 CA ARG A 6 -0.823 -7.750 4.716 1.00 0.00 C ATOM 93 C ARG A 6 0.185 -7.826 5.858 1.00 0.00 C ATOM 94 O ARG A 6 0.390 -6.841 6.565 1.00 0.00 O ATOM 95 CB ARG A 6 -0.292 -6.907 3.552 1.00 0.00 C ATOM 96 CG ARG A 6 0.691 -7.669 2.664 1.00 0.00 C ATOM 97 CD ARG A 6 -0.007 -8.451 1.546 1.00 0.00 C ATOM 98 NE ARG A 6 -0.885 -9.512 2.044 1.00 0.00 N ATOM 99 CZ ARG A 6 -1.369 -10.493 1.273 1.00 0.00 C ATOM 100 NH1 ARG A 6 -1.072 -10.546 -0.023 1.00 0.00 N ATOM 101 NH2 ARG A 6 -2.157 -11.424 1.797 1.00 0.00 N ATOM 0 H ARG A 6 -1.949 -6.396 5.856 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.995 -8.778 4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.131 -6.565 2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.199 -6.018 3.948 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.397 -6.965 2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.270 -8.359 3.278 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.592 -7.760 0.939 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.747 -8.890 0.893 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.141 -9.503 3.031 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.470 -9.835 -0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.446 -11.298 -0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.394 -11.392 2.788 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.525 -12.171 1.208 1.00 0.00 H new ATOM 115 N LYS A 7 0.815 -8.995 6.030 1.00 0.00 N ATOM 116 CA LYS A 7 1.894 -9.173 6.991 1.00 0.00 C ATOM 117 C LYS A 7 3.177 -8.636 6.357 1.00 0.00 C ATOM 118 O LYS A 7 3.337 -8.721 5.136 1.00 0.00 O ATOM 119 CB LYS A 7 2.048 -10.665 7.317 1.00 0.00 C ATOM 120 CG LYS A 7 2.154 -10.968 8.815 1.00 0.00 C ATOM 121 CD LYS A 7 0.892 -10.590 9.594 1.00 0.00 C ATOM 122 CE LYS A 7 0.954 -11.131 11.026 1.00 0.00 C ATOM 123 NZ LYS A 7 0.997 -12.602 11.054 1.00 0.00 N ATOM 0 H LYS A 7 0.586 -9.839 5.504 1.00 0.00 H new ATOM 0 HA LYS A 7 1.681 -8.638 7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.195 -11.206 6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.938 -11.046 6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.353 -12.031 8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.005 -10.428 9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.783 -9.506 9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.013 -10.989 9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.836 -10.732 11.527 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.085 -10.782 11.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.669 -12.941 11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.380 -12.982 10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.973 -12.924 10.893 1.00 0.00 H new ATOM 137 N VAL A 8 4.096 -8.093 7.158 1.00 0.00 N ATOM 138 CA VAL A 8 5.333 -7.567 6.587 1.00 0.00 C ATOM 139 C VAL A 8 6.043 -8.660 5.790 1.00 0.00 C ATOM 140 O VAL A 8 6.144 -9.796 6.247 1.00 0.00 O ATOM 141 CB VAL A 8 6.242 -6.947 7.654 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.483 -5.896 8.462 1.00 0.00 C ATOM 143 CG2 VAL A 8 6.825 -7.980 8.613 1.00 0.00 C ATOM 0 H VAL A 8 4.012 -8.008 8.171 1.00 0.00 H new ATOM 0 HA VAL A 8 5.078 -6.756 5.904 1.00 0.00 H new ATOM 0 HB VAL A 8 7.070 -6.487 7.114 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.145 -5.467 9.214 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.133 -5.108 7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.629 -6.362 8.953 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.459 -7.480 9.345 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.015 -8.496 9.128 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.418 -8.703 8.053 1.00 0.00 H new ATOM 153 N GLY A 9 6.536 -8.318 4.600 1.00 0.00 N ATOM 154 CA GLY A 9 7.253 -9.257 3.751 1.00 0.00 C ATOM 155 C GLY A 9 6.418 -9.752 2.568 1.00 0.00 C ATOM 156 O GLY A 9 6.945 -10.464 1.716 1.00 0.00 O ATOM 0 H GLY A 9 6.448 -7.383 4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.158 -8.780 3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.568 -10.112 4.349 1.00 0.00 H new ATOM 160 N GLU A 10 5.129 -9.394 2.496 1.00 0.00 N ATOM 161 CA GLU A 10 4.276 -9.818 1.387 1.00 0.00 C ATOM 162 C GLU A 10 3.966 -8.638 0.458 1.00 0.00 C ATOM 163 O GLU A 10 4.505 -7.546 0.643 1.00 0.00 O ATOM 164 CB GLU A 10 3.005 -10.472 1.935 1.00 0.00 C ATOM 165 CG GLU A 10 3.322 -11.729 2.746 1.00 0.00 C ATOM 166 CD GLU A 10 4.012 -12.792 1.896 1.00 0.00 C ATOM 167 OE1 GLU A 10 3.528 -13.037 0.768 1.00 0.00 O ATOM 168 OE2 GLU A 10 5.021 -13.353 2.381 1.00 0.00 O ATOM 0 H GLU A 10 4.659 -8.814 3.191 1.00 0.00 H new ATOM 0 HA GLU A 10 4.803 -10.560 0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.470 -9.759 2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.342 -10.729 1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.961 -11.466 3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.400 -12.137 3.160 1.00 0.00 H new ATOM 175 N SER A 11 3.103 -8.842 -0.547 1.00 0.00 N ATOM 176 CA SER A 11 2.887 -7.844 -1.594 1.00 0.00 C ATOM 177 C SER A 11 1.427 -7.699 -2.016 1.00 0.00 C ATOM 178 O SER A 11 0.564 -8.490 -1.631 1.00 0.00 O ATOM 179 CB SER A 11 3.724 -8.235 -2.815 1.00 0.00 C ATOM 180 OG SER A 11 5.097 -8.257 -2.480 1.00 0.00 O ATOM 0 H SER A 11 2.546 -9.689 -0.654 1.00 0.00 H new ATOM 0 HA SER A 11 3.187 -6.879 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.415 -9.215 -3.178 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.551 -7.527 -3.625 1.00 0.00 H new ATOM 0 HG SER A 11 5.483 -7.367 -2.622 1.00 0.00 H new ATOM 186 N ILE A 12 1.173 -6.657 -2.821 1.00 0.00 N ATOM 187 CA ILE A 12 -0.134 -6.263 -3.346 1.00 0.00 C ATOM 188 C ILE A 12 0.084 -5.720 -4.765 1.00 0.00 C ATOM 189 O ILE A 12 1.219 -5.440 -5.144 1.00 0.00 O ATOM 190 CB ILE A 12 -0.762 -5.214 -2.403 1.00 0.00 C ATOM 191 CG1 ILE A 12 -0.964 -5.827 -1.008 1.00 0.00 C ATOM 192 CG2 ILE A 12 -2.101 -4.693 -2.934 1.00 0.00 C ATOM 193 CD1 ILE A 12 -1.596 -4.854 -0.010 1.00 0.00 C ATOM 0 H ILE A 12 1.917 -6.036 -3.138 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.826 -7.104 -3.396 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.076 -4.369 -2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.596 -6.711 -1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.001 -6.160 -0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.507 -3.958 -2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.950 -4.227 -3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.801 -5.523 -3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.712 -5.347 0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.954 -3.981 0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.573 -4.540 -0.377 1.00 0.00 H new ATOM 205 N ASN A 13 -0.976 -5.566 -5.564 1.00 0.00 N ATOM 206 CA ASN A 13 -0.859 -5.127 -6.951 1.00 0.00 C ATOM 207 C ASN A 13 -1.937 -4.114 -7.326 1.00 0.00 C ATOM 208 O ASN A 13 -3.018 -4.089 -6.737 1.00 0.00 O ATOM 209 CB ASN A 13 -0.958 -6.344 -7.868 1.00 0.00 C ATOM 210 CG ASN A 13 0.397 -7.012 -8.021 1.00 0.00 C ATOM 211 OD1 ASN A 13 0.664 -8.042 -7.411 1.00 0.00 O ATOM 212 ND2 ASN A 13 1.264 -6.421 -8.840 1.00 0.00 N ATOM 0 H ASN A 13 -1.935 -5.742 -5.265 1.00 0.00 H new ATOM 0 HA ASN A 13 0.106 -4.635 -7.069 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.676 -7.056 -7.460 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.331 -6.040 -8.846 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.191 -6.824 -8.979 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.002 -5.565 -9.329 1.00 0.00 H new ATOM 219 N ILE A 14 -1.621 -3.276 -8.318 1.00 0.00 N ATOM 220 CA ILE A 14 -2.514 -2.239 -8.820 1.00 0.00 C ATOM 221 C ILE A 14 -2.345 -2.150 -10.338 1.00 0.00 C ATOM 222 O ILE A 14 -1.240 -2.312 -10.858 1.00 0.00 O ATOM 223 CB ILE A 14 -2.171 -0.891 -8.161 1.00 0.00 C ATOM 224 CG1 ILE A 14 -2.280 -1.004 -6.632 1.00 0.00 C ATOM 225 CG2 ILE A 14 -3.122 0.191 -8.683 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.914 0.301 -5.930 1.00 0.00 C ATOM 0 H ILE A 14 -0.722 -3.303 -8.799 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.549 -2.483 -8.580 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.146 -0.619 -8.414 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.297 -1.287 -6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.624 -1.800 -6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.879 1.145 -8.216 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.015 0.278 -9.764 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.150 -0.080 -8.441 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.006 0.172 -4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.887 0.571 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.587 1.093 -6.260 1.00 0.00 H new ATOM 238 N GLY A 15 -3.448 -1.893 -11.045 1.00 0.00 N ATOM 239 CA GLY A 15 -3.435 -1.833 -12.497 1.00 0.00 C ATOM 240 C GLY A 15 -2.877 -3.130 -13.074 1.00 0.00 C ATOM 241 O GLY A 15 -3.158 -4.217 -12.569 1.00 0.00 O ATOM 0 H GLY A 15 -4.363 -1.723 -10.627 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.445 -1.666 -12.870 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.829 -0.989 -12.828 1.00 0.00 H new ATOM 245 N ASP A 16 -2.082 -3.008 -14.136 1.00 0.00 N ATOM 246 CA ASP A 16 -1.407 -4.137 -14.765 1.00 0.00 C ATOM 247 C ASP A 16 0.079 -3.815 -14.935 1.00 0.00 C ATOM 248 O ASP A 16 0.807 -4.534 -15.621 1.00 0.00 O ATOM 249 CB ASP A 16 -2.096 -4.458 -16.096 1.00 0.00 C ATOM 250 CG ASP A 16 -1.600 -5.775 -16.689 1.00 0.00 C ATOM 251 OD1 ASP A 16 -1.604 -6.779 -15.947 1.00 0.00 O ATOM 252 OD2 ASP A 16 -1.223 -5.762 -17.885 1.00 0.00 O ATOM 0 H ASP A 16 -1.888 -2.114 -14.586 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.474 -5.025 -14.137 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.174 -4.511 -15.944 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.914 -3.649 -16.804 1.00 0.00 H new ATOM 257 N ASP A 17 0.529 -2.722 -14.307 1.00 0.00 N ATOM 258 CA ASP A 17 1.890 -2.222 -14.430 1.00 0.00 C ATOM 259 C ASP A 17 2.437 -1.732 -13.088 1.00 0.00 C ATOM 260 O ASP A 17 3.510 -1.126 -13.059 1.00 0.00 O ATOM 261 CB ASP A 17 1.928 -1.091 -15.459 1.00 0.00 C ATOM 262 CG ASP A 17 1.488 -1.560 -16.845 1.00 0.00 C ATOM 263 OD1 ASP A 17 2.334 -2.156 -17.549 1.00 0.00 O ATOM 264 OD2 ASP A 17 0.309 -1.325 -17.192 1.00 0.00 O ATOM 0 H ASP A 17 -0.056 -2.157 -13.692 1.00 0.00 H new ATOM 0 HA ASP A 17 2.525 -3.044 -14.762 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.280 -0.279 -15.129 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.939 -0.688 -15.517 1.00 0.00 H new ATOM 269 N ILE A 18 1.738 -1.973 -11.972 1.00 0.00 N ATOM 270 CA ILE A 18 2.208 -1.524 -10.667 1.00 0.00 C ATOM 271 C ILE A 18 2.133 -2.661 -9.650 1.00 0.00 C ATOM 272 O ILE A 18 1.250 -3.518 -9.708 1.00 0.00 O ATOM 273 CB ILE A 18 1.404 -0.301 -10.187 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.461 0.870 -11.180 1.00 0.00 C ATOM 275 CG2 ILE A 18 1.956 0.188 -8.845 1.00 0.00 C ATOM 276 CD1 ILE A 18 0.324 0.797 -12.199 1.00 0.00 C ATOM 0 H ILE A 18 0.850 -2.474 -11.952 1.00 0.00 H new ATOM 0 HA ILE A 18 3.251 -1.222 -10.763 1.00 0.00 H new ATOM 0 HB ILE A 18 0.367 -0.625 -10.095 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.403 1.813 -10.636 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.419 0.861 -11.701 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.384 1.053 -8.510 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.875 -0.609 -8.106 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.003 0.469 -8.963 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.396 1.641 -12.885 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.398 -0.134 -12.760 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.633 0.833 -11.679 1.00 0.00 H new ATOM 288 N THR A 19 3.083 -2.655 -8.710 1.00 0.00 N ATOM 289 CA THR A 19 3.166 -3.619 -7.624 1.00 0.00 C ATOM 290 C THR A 19 3.536 -2.874 -6.345 1.00 0.00 C ATOM 291 O THR A 19 4.143 -1.804 -6.405 1.00 0.00 O ATOM 292 CB THR A 19 4.211 -4.693 -7.953 1.00 0.00 C ATOM 293 OG1 THR A 19 3.936 -5.268 -9.217 1.00 0.00 O ATOM 294 CG2 THR A 19 4.220 -5.815 -6.913 1.00 0.00 C ATOM 0 H THR A 19 3.830 -1.961 -8.688 1.00 0.00 H new ATOM 0 HA THR A 19 2.207 -4.118 -7.488 1.00 0.00 H new ATOM 0 HB THR A 19 5.184 -4.201 -7.954 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.609 -5.951 -9.419 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.974 -6.555 -7.183 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.453 -5.400 -5.932 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.240 -6.290 -6.882 1.00 0.00 H new ATOM 302 N ILE A 20 3.167 -3.437 -5.194 1.00 0.00 N ATOM 303 CA ILE A 20 3.376 -2.833 -3.886 1.00 0.00 C ATOM 304 C ILE A 20 3.924 -3.906 -2.951 1.00 0.00 C ATOM 305 O ILE A 20 3.599 -5.080 -3.105 1.00 0.00 O ATOM 306 CB ILE A 20 2.031 -2.312 -3.356 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.341 -1.339 -4.320 1.00 0.00 C ATOM 308 CG2 ILE A 20 2.203 -1.641 -1.991 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.091 -0.020 -4.474 1.00 0.00 C ATOM 0 H ILE A 20 2.705 -4.345 -5.149 1.00 0.00 H new ATOM 0 HA ILE A 20 4.079 -2.002 -3.949 1.00 0.00 H new ATOM 0 HB ILE A 20 1.389 -3.188 -3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.244 -1.812 -5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.331 -1.137 -3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.237 -1.281 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.604 -2.362 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.892 -0.801 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.553 0.625 -5.168 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.165 0.472 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.092 -0.213 -4.860 1.00 0.00 H new ATOM 321 N THR A 21 4.748 -3.515 -1.978 1.00 0.00 N ATOM 322 CA THR A 21 5.333 -4.464 -1.041 1.00 0.00 C ATOM 323 C THR A 21 5.443 -3.823 0.338 1.00 0.00 C ATOM 324 O THR A 21 6.021 -2.748 0.482 1.00 0.00 O ATOM 325 CB THR A 21 6.721 -4.891 -1.543 1.00 0.00 C ATOM 326 OG1 THR A 21 6.635 -5.359 -2.869 1.00 0.00 O ATOM 327 CG2 THR A 21 7.299 -6.012 -0.685 1.00 0.00 C ATOM 0 H THR A 21 5.023 -2.545 -1.821 1.00 0.00 H new ATOM 0 HA THR A 21 4.696 -5.346 -0.968 1.00 0.00 H new ATOM 0 HB THR A 21 7.370 -4.017 -1.485 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.525 -5.627 -3.180 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.281 -6.292 -1.066 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.393 -5.670 0.346 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.636 -6.877 -0.721 1.00 0.00 H new ATOM 335 N ILE A 22 4.887 -4.484 1.355 1.00 0.00 N ATOM 336 CA ILE A 22 4.976 -4.022 2.734 1.00 0.00 C ATOM 337 C ILE A 22 6.344 -4.412 3.292 1.00 0.00 C ATOM 338 O ILE A 22 6.517 -5.486 3.869 1.00 0.00 O ATOM 339 CB ILE A 22 3.789 -4.549 3.558 1.00 0.00 C ATOM 340 CG1 ILE A 22 3.934 -4.232 5.048 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.593 -6.055 3.396 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.164 -2.744 5.289 1.00 0.00 C ATOM 0 H ILE A 22 4.364 -5.353 1.242 1.00 0.00 H new ATOM 0 HA ILE A 22 4.902 -2.936 2.788 1.00 0.00 H new ATOM 0 HB ILE A 22 2.914 -4.032 3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.036 -4.552 5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.767 -4.801 5.461 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.743 -6.378 3.997 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.405 -6.287 2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.491 -6.576 3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.262 -2.560 6.359 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.076 -2.430 4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.319 -2.177 4.899 1.00 0.00 H new ATOM 354 N LEU A 23 7.326 -3.523 3.116 1.00 0.00 N ATOM 355 CA LEU A 23 8.696 -3.794 3.517 1.00 0.00 C ATOM 356 C LEU A 23 8.810 -3.950 5.032 1.00 0.00 C ATOM 357 O LEU A 23 9.668 -4.691 5.507 1.00 0.00 O ATOM 358 CB LEU A 23 9.605 -2.661 3.036 1.00 0.00 C ATOM 359 CG LEU A 23 9.426 -2.344 1.550 1.00 0.00 C ATOM 360 CD1 LEU A 23 10.377 -1.225 1.153 1.00 0.00 C ATOM 361 CD2 LEU A 23 9.732 -3.555 0.675 1.00 0.00 C ATOM 0 H LEU A 23 7.188 -2.604 2.694 1.00 0.00 H new ATOM 0 HA LEU A 23 9.008 -4.733 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.400 -1.764 3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.644 -2.932 3.222 1.00 0.00 H new ATOM 0 HG LEU A 23 8.387 -2.051 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.250 -0.998 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.158 -0.335 1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.405 -1.539 1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.594 -3.291 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.763 -3.870 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.058 -4.371 0.935 1.00 0.00 H new ATOM 373 N GLY A 24 7.953 -3.259 5.792 1.00 0.00 N ATOM 374 CA GLY A 24 7.916 -3.443 7.235 1.00 0.00 C ATOM 375 C GLY A 24 7.327 -2.243 7.963 1.00 0.00 C ATOM 376 O GLY A 24 6.794 -1.331 7.334 1.00 0.00 O ATOM 0 H GLY A 24 7.286 -2.577 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.328 -4.330 7.469 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.927 -3.625 7.600 1.00 0.00 H new ATOM 380 N VAL A 25 7.427 -2.239 9.297 1.00 0.00 N ATOM 381 CA VAL A 25 6.950 -1.134 10.122 1.00 0.00 C ATOM 382 C VAL A 25 7.996 -0.770 11.175 1.00 0.00 C ATOM 383 O VAL A 25 8.908 -1.546 11.450 1.00 0.00 O ATOM 384 CB VAL A 25 5.600 -1.470 10.782 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.659 -2.180 9.806 1.00 0.00 C ATOM 386 CG2 VAL A 25 5.782 -2.348 12.021 1.00 0.00 C ATOM 0 H VAL A 25 7.841 -3.003 9.831 1.00 0.00 H new ATOM 0 HA VAL A 25 6.792 -0.271 9.475 1.00 0.00 H new ATOM 0 HB VAL A 25 5.158 -0.519 11.079 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.716 -2.402 10.306 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.472 -1.535 8.947 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.118 -3.109 9.469 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.808 -2.564 12.460 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.268 -3.282 11.737 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.400 -1.825 12.750 1.00 0.00 H new ATOM 396 N SER A 26 7.851 0.418 11.765 1.00 0.00 N ATOM 397 CA SER A 26 8.723 0.900 12.830 1.00 0.00 C ATOM 398 C SER A 26 7.940 1.895 13.679 1.00 0.00 C ATOM 399 O SER A 26 7.685 3.020 13.248 1.00 0.00 O ATOM 400 CB SER A 26 9.957 1.569 12.219 1.00 0.00 C ATOM 401 OG SER A 26 10.799 2.039 13.247 1.00 0.00 O ATOM 0 H SER A 26 7.115 1.078 11.512 1.00 0.00 H new ATOM 0 HA SER A 26 9.056 0.071 13.455 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.495 0.858 11.591 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.654 2.396 11.577 1.00 0.00 H new ATOM 0 HG SER A 26 11.589 2.465 12.854 1.00 0.00 H new ATOM 407 N GLY A 27 7.554 1.486 14.888 1.00 0.00 N ATOM 408 CA GLY A 27 6.679 2.288 15.727 1.00 0.00 C ATOM 409 C GLY A 27 5.300 2.357 15.093 1.00 0.00 C ATOM 410 O GLY A 27 4.494 1.442 15.261 1.00 0.00 O ATOM 0 H GLY A 27 7.838 0.599 15.305 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.612 1.852 16.724 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.088 3.291 15.845 1.00 0.00 H new ATOM 414 N GLN A 28 5.035 3.446 14.366 1.00 0.00 N ATOM 415 CA GLN A 28 3.816 3.610 13.589 1.00 0.00 C ATOM 416 C GLN A 28 4.143 3.946 12.140 1.00 0.00 C ATOM 417 O GLN A 28 3.236 4.114 11.328 1.00 0.00 O ATOM 418 CB GLN A 28 2.930 4.698 14.193 1.00 0.00 C ATOM 419 CG GLN A 28 2.277 4.299 15.516 1.00 0.00 C ATOM 420 CD GLN A 28 1.310 3.127 15.374 1.00 0.00 C ATOM 421 OE1 GLN A 28 0.101 3.325 15.299 1.00 0.00 O ATOM 422 NE2 GLN A 28 1.820 1.899 15.331 1.00 0.00 N ATOM 0 H GLN A 28 5.670 4.242 14.304 1.00 0.00 H new ATOM 0 HA GLN A 28 3.272 2.666 13.614 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.529 5.595 14.350 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.150 4.957 13.477 1.00 0.00 H new ATOM 0 HG2 GLN A 28 3.054 4.037 16.234 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.742 5.157 15.924 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.829 1.763 15.395 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.202 1.093 15.234 1.00 0.00 H new ATOM 431 N GLN A 29 5.432 4.049 11.801 1.00 0.00 N ATOM 432 CA GLN A 29 5.837 4.191 10.417 1.00 0.00 C ATOM 433 C GLN A 29 5.625 2.868 9.701 1.00 0.00 C ATOM 434 O GLN A 29 5.527 1.813 10.327 1.00 0.00 O ATOM 435 CB GLN A 29 7.319 4.545 10.297 1.00 0.00 C ATOM 436 CG GLN A 29 7.597 5.990 10.684 1.00 0.00 C ATOM 437 CD GLN A 29 9.012 6.358 10.265 1.00 0.00 C ATOM 438 OE1 GLN A 29 9.208 7.083 9.298 1.00 0.00 O ATOM 439 NE2 GLN A 29 10.005 5.861 10.992 1.00 0.00 N ATOM 0 H GLN A 29 6.202 4.036 12.469 1.00 0.00 H new ATOM 0 HA GLN A 29 5.240 4.990 9.978 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.902 3.881 10.935 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.650 4.375 9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.878 6.653 10.202 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.478 6.120 11.760 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.801 5.260 11.791 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.972 6.080 10.752 1.00 0.00 H new ATOM 448 N VAL A 30 5.560 2.936 8.376 1.00 0.00 N ATOM 449 CA VAL A 30 5.453 1.770 7.533 1.00 0.00 C ATOM 450 C VAL A 30 6.334 2.010 6.320 1.00 0.00 C ATOM 451 O VAL A 30 6.107 2.968 5.581 1.00 0.00 O ATOM 452 CB VAL A 30 3.992 1.568 7.116 1.00 0.00 C ATOM 453 CG1 VAL A 30 3.890 0.320 6.252 1.00 0.00 C ATOM 454 CG2 VAL A 30 3.092 1.376 8.336 1.00 0.00 C ATOM 0 H VAL A 30 5.581 3.815 7.860 1.00 0.00 H new ATOM 0 HA VAL A 30 5.775 0.871 8.058 1.00 0.00 H new ATOM 0 HB VAL A 30 3.669 2.454 6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.853 0.169 5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.511 0.440 5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.232 -0.545 6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.062 1.235 8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.419 0.499 8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.153 2.257 8.975 1.00 0.00 H new ATOM 464 N ARG A 31 7.336 1.151 6.115 1.00 0.00 N ATOM 465 CA ARG A 31 8.108 1.178 4.888 1.00 0.00 C ATOM 466 C ARG A 31 7.284 0.470 3.828 1.00 0.00 C ATOM 467 O ARG A 31 6.959 -0.710 3.973 1.00 0.00 O ATOM 468 CB ARG A 31 9.452 0.463 5.032 1.00 0.00 C ATOM 469 CG ARG A 31 10.506 1.331 5.720 1.00 0.00 C ATOM 470 CD ARG A 31 11.906 0.869 5.297 1.00 0.00 C ATOM 471 NE ARG A 31 12.183 -0.518 5.685 1.00 0.00 N ATOM 472 CZ ARG A 31 13.268 -1.191 5.286 1.00 0.00 C ATOM 473 NH1 ARG A 31 14.175 -0.620 4.499 1.00 0.00 N ATOM 474 NH2 ARG A 31 13.448 -2.447 5.675 1.00 0.00 N ATOM 0 H ARG A 31 7.624 0.436 6.783 1.00 0.00 H new ATOM 0 HA ARG A 31 8.322 2.214 4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.312 -0.455 5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.813 0.172 4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.361 2.378 5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.400 1.261 6.803 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.006 0.967 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.652 1.524 5.747 1.00 0.00 H new ATOM 0 HE ARG A 31 11.514 -0.994 6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.049 0.344 4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.997 -1.146 4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.759 -2.898 6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.275 -2.961 5.371 1.00 0.00 H new ATOM 488 N ILE A 32 6.961 1.205 2.768 1.00 0.00 N ATOM 489 CA ILE A 32 6.178 0.693 1.662 1.00 0.00 C ATOM 490 C ILE A 32 7.012 0.823 0.399 1.00 0.00 C ATOM 491 O ILE A 32 7.471 1.916 0.070 1.00 0.00 O ATOM 492 CB ILE A 32 4.868 1.481 1.525 1.00 0.00 C ATOM 493 CG1 ILE A 32 4.182 1.643 2.892 1.00 0.00 C ATOM 494 CG2 ILE A 32 3.966 0.758 0.528 1.00 0.00 C ATOM 495 CD1 ILE A 32 2.827 2.345 2.773 1.00 0.00 C ATOM 0 H ILE A 32 7.240 2.180 2.657 1.00 0.00 H new ATOM 0 HA ILE A 32 5.919 -0.352 1.834 1.00 0.00 H new ATOM 0 HB ILE A 32 5.077 2.485 1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.044 0.662 3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.829 2.214 3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.030 1.306 0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.466 0.699 -0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.757 -0.249 0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.378 2.438 3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.968 3.337 2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.170 1.760 2.129 1.00 0.00 H new ATOM 507 N GLY A 33 7.206 -0.289 -0.305 1.00 0.00 N ATOM 508 CA GLY A 33 7.933 -0.307 -1.558 1.00 0.00 C ATOM 509 C GLY A 33 6.927 -0.282 -2.697 1.00 0.00 C ATOM 510 O GLY A 33 5.825 -0.810 -2.568 1.00 0.00 O ATOM 0 H GLY A 33 6.859 -1.204 -0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.600 0.553 -1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.556 -1.199 -1.622 1.00 0.00 H new ATOM 514 N ILE A 34 7.308 0.332 -3.818 1.00 0.00 N ATOM 515 CA ILE A 34 6.445 0.415 -4.978 1.00 0.00 C ATOM 516 C ILE A 34 7.287 0.109 -6.208 1.00 0.00 C ATOM 517 O ILE A 34 8.463 0.470 -6.259 1.00 0.00 O ATOM 518 CB ILE A 34 5.796 1.806 -5.051 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.043 2.102 -3.744 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.863 1.860 -6.266 1.00 0.00 C ATOM 521 CD1 ILE A 34 4.427 3.500 -3.727 1.00 0.00 C ATOM 0 H ILE A 34 8.217 0.779 -3.939 1.00 0.00 H new ATOM 0 HA ILE A 34 5.632 -0.308 -4.917 1.00 0.00 H new ATOM 0 HB ILE A 34 6.561 2.573 -5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.256 1.360 -3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.728 2.000 -2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.399 2.844 -6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.437 1.675 -7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.089 1.099 -6.165 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.907 3.657 -2.782 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.214 4.246 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.719 3.596 -4.551 1.00 0.00 H new ATOM 533 N ASN A 35 6.685 -0.551 -7.193 1.00 0.00 N ATOM 534 CA ASN A 35 7.383 -0.953 -8.396 1.00 0.00 C ATOM 535 C ASN A 35 6.501 -0.654 -9.599 1.00 0.00 C ATOM 536 O ASN A 35 5.548 -1.383 -9.873 1.00 0.00 O ATOM 537 CB ASN A 35 7.753 -2.437 -8.301 1.00 0.00 C ATOM 538 CG ASN A 35 8.677 -2.874 -9.431 1.00 0.00 C ATOM 539 OD1 ASN A 35 9.030 -2.091 -10.308 1.00 0.00 O ATOM 540 ND2 ASN A 35 9.074 -4.142 -9.420 1.00 0.00 N ATOM 0 H ASN A 35 5.701 -0.819 -7.174 1.00 0.00 H new ATOM 0 HA ASN A 35 8.311 -0.394 -8.512 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.237 -2.628 -7.343 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.844 -3.038 -8.324 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.690 -4.490 -10.155 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.763 -4.767 -8.677 1.00 0.00 H new ATOM 547 N ALA A 36 6.837 0.425 -10.303 1.00 0.00 N ATOM 548 CA ALA A 36 6.101 0.895 -11.461 1.00 0.00 C ATOM 549 C ALA A 36 7.091 1.470 -12.477 1.00 0.00 C ATOM 550 O ALA A 36 8.178 1.900 -12.094 1.00 0.00 O ATOM 551 CB ALA A 36 5.114 1.966 -10.991 1.00 0.00 C ATOM 0 H ALA A 36 7.645 1.004 -10.075 1.00 0.00 H new ATOM 0 HA ALA A 36 5.551 0.084 -11.938 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.546 2.337 -11.844 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.430 1.535 -10.260 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.662 2.790 -10.533 1.00 0.00 H new ATOM 557 N PRO A 37 6.734 1.493 -13.768 1.00 0.00 N ATOM 558 CA PRO A 37 7.556 2.081 -14.806 1.00 0.00 C ATOM 559 C PRO A 37 7.573 3.597 -14.664 1.00 0.00 C ATOM 560 O PRO A 37 6.616 4.189 -14.176 1.00 0.00 O ATOM 561 CB PRO A 37 6.896 1.659 -16.123 1.00 0.00 C ATOM 562 CG PRO A 37 5.426 1.461 -15.748 1.00 0.00 C ATOM 563 CD PRO A 37 5.506 0.947 -14.316 1.00 0.00 C ATOM 0 HA PRO A 37 8.593 1.751 -14.754 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.013 2.423 -16.892 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.336 0.742 -16.515 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.864 2.393 -15.812 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.934 0.746 -16.407 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.641 1.270 -13.736 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.517 -0.143 -14.292 1.00 0.00 H new ATOM 571 N LYS A 38 8.666 4.242 -15.093 1.00 0.00 N ATOM 572 CA LYS A 38 8.752 5.699 -15.100 1.00 0.00 C ATOM 573 C LYS A 38 7.739 6.291 -16.085 1.00 0.00 C ATOM 574 O LYS A 38 7.630 7.510 -16.208 1.00 0.00 O ATOM 575 CB LYS A 38 10.185 6.133 -15.424 1.00 0.00 C ATOM 576 CG LYS A 38 11.174 5.708 -14.325 1.00 0.00 C ATOM 577 CD LYS A 38 10.932 6.422 -12.990 1.00 0.00 C ATOM 578 CE LYS A 38 11.175 7.929 -13.076 1.00 0.00 C ATOM 579 NZ LYS A 38 12.575 8.236 -13.437 1.00 0.00 N ATOM 0 H LYS A 38 9.502 3.772 -15.440 1.00 0.00 H new ATOM 0 HA LYS A 38 8.501 6.082 -14.111 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.490 5.698 -16.375 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.218 7.216 -15.544 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.099 4.631 -14.173 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.191 5.912 -14.661 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.907 6.241 -12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.587 5.995 -12.230 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.504 8.364 -13.817 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.936 8.392 -12.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.757 9.249 -13.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.218 7.678 -12.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.736 7.997 -14.436 1.00 0.00 H new ATOM 593 N ASP A 39 6.999 5.424 -16.786 1.00 0.00 N ATOM 594 CA ASP A 39 5.898 5.802 -17.655 1.00 0.00 C ATOM 595 C ASP A 39 4.717 6.332 -16.835 1.00 0.00 C ATOM 596 O ASP A 39 3.778 6.896 -17.396 1.00 0.00 O ATOM 597 CB ASP A 39 5.473 4.568 -18.455 1.00 0.00 C ATOM 598 CG ASP A 39 4.502 4.921 -19.583 1.00 0.00 C ATOM 599 OD1 ASP A 39 4.916 5.701 -20.470 1.00 0.00 O ATOM 600 OD2 ASP A 39 3.362 4.409 -19.549 1.00 0.00 O ATOM 0 H ASP A 39 7.160 4.417 -16.758 1.00 0.00 H new ATOM 0 HA ASP A 39 6.218 6.597 -18.329 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.356 4.087 -18.875 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.004 3.846 -17.786 1.00 0.00 H new ATOM 605 N VAL A 40 4.768 6.154 -15.510 1.00 0.00 N ATOM 606 CA VAL A 40 3.733 6.611 -14.594 1.00 0.00 C ATOM 607 C VAL A 40 4.384 7.214 -13.354 1.00 0.00 C ATOM 608 O VAL A 40 5.551 6.946 -13.069 1.00 0.00 O ATOM 609 CB VAL A 40 2.781 5.466 -14.215 1.00 0.00 C ATOM 610 CG1 VAL A 40 2.178 4.820 -15.463 1.00 0.00 C ATOM 611 CG2 VAL A 40 3.475 4.373 -13.400 1.00 0.00 C ATOM 0 H VAL A 40 5.542 5.681 -15.044 1.00 0.00 H new ATOM 0 HA VAL A 40 3.136 7.376 -15.090 1.00 0.00 H new ATOM 0 HB VAL A 40 1.999 5.917 -13.604 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.508 4.013 -15.167 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.619 5.568 -16.026 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.977 4.419 -16.087 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.758 3.588 -13.159 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.294 3.950 -13.982 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.868 4.801 -12.478 1.00 0.00 H new ATOM 621 N ALA A 41 3.632 8.026 -12.611 1.00 0.00 N ATOM 622 CA ALA A 41 4.166 8.719 -11.454 1.00 0.00 C ATOM 623 C ALA A 41 3.752 8.032 -10.153 1.00 0.00 C ATOM 624 O ALA A 41 2.756 7.314 -10.107 1.00 0.00 O ATOM 625 CB ALA A 41 3.660 10.163 -11.478 1.00 0.00 C ATOM 0 H ALA A 41 2.647 8.216 -12.797 1.00 0.00 H new ATOM 0 HA ALA A 41 5.255 8.701 -11.497 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.052 10.700 -10.614 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.997 10.651 -12.392 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.571 10.167 -11.444 1.00 0.00 H new ATOM 631 N VAL A 42 4.528 8.267 -9.092 1.00 0.00 N ATOM 632 CA VAL A 42 4.218 7.787 -7.751 1.00 0.00 C ATOM 633 C VAL A 42 4.865 8.724 -6.735 1.00 0.00 C ATOM 634 O VAL A 42 6.031 9.084 -6.882 1.00 0.00 O ATOM 635 CB VAL A 42 4.702 6.339 -7.590 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.140 6.146 -8.068 1.00 0.00 C ATOM 637 CG2 VAL A 42 4.633 5.881 -6.138 1.00 0.00 C ATOM 0 H VAL A 42 5.396 8.801 -9.144 1.00 0.00 H new ATOM 0 HA VAL A 42 3.141 7.787 -7.582 1.00 0.00 H new ATOM 0 HB VAL A 42 4.031 5.742 -8.208 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.432 5.105 -7.932 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.211 6.408 -9.124 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.805 6.788 -7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.984 4.852 -6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.263 6.524 -5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.603 5.940 -5.787 1.00 0.00 H new ATOM 647 N HIS A 43 4.114 9.126 -5.705 1.00 0.00 N ATOM 648 CA HIS A 43 4.598 10.077 -4.712 1.00 0.00 C ATOM 649 C HIS A 43 3.841 9.939 -3.396 1.00 0.00 C ATOM 650 O HIS A 43 2.842 9.226 -3.314 1.00 0.00 O ATOM 651 CB HIS A 43 4.366 11.509 -5.208 1.00 0.00 C ATOM 652 CG HIS A 43 4.966 11.812 -6.549 1.00 0.00 C ATOM 653 ND1 HIS A 43 6.292 12.182 -6.771 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.297 11.764 -7.734 1.00 0.00 C ATOM 655 CE1 HIS A 43 6.390 12.347 -8.102 1.00 0.00 C ATOM 656 NE2 HIS A 43 5.212 12.105 -8.702 1.00 0.00 N ATOM 0 H HIS A 43 3.161 8.801 -5.541 1.00 0.00 H new ATOM 0 HA HIS A 43 5.657 9.870 -4.559 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.293 11.693 -5.255 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.777 12.204 -4.476 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.028 12.302 -6.075 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.258 11.510 -7.883 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.293 12.635 -8.619 1.00 0.00 H new ATOM 664 N ARG A 44 4.325 10.624 -2.358 1.00 0.00 N ATOM 665 CA ARG A 44 3.580 10.768 -1.115 1.00 0.00 C ATOM 666 C ARG A 44 2.427 11.735 -1.358 1.00 0.00 C ATOM 667 O ARG A 44 2.450 12.512 -2.308 1.00 0.00 O ATOM 668 CB ARG A 44 4.506 11.308 -0.025 1.00 0.00 C ATOM 669 CG ARG A 44 5.508 10.229 0.383 1.00 0.00 C ATOM 670 CD ARG A 44 6.595 10.820 1.280 1.00 0.00 C ATOM 671 NE ARG A 44 7.507 11.640 0.480 1.00 0.00 N ATOM 672 CZ ARG A 44 7.987 12.833 0.836 1.00 0.00 C ATOM 673 NH1 ARG A 44 7.602 13.424 1.963 1.00 0.00 N ATOM 674 NH2 ARG A 44 8.865 13.441 0.047 1.00 0.00 N ATOM 0 H ARG A 44 5.233 11.088 -2.358 1.00 0.00 H new ATOM 0 HA ARG A 44 3.189 9.804 -0.790 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.034 12.190 -0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.921 11.620 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.992 9.425 0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.961 9.790 -0.506 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.142 11.425 2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.148 10.020 1.772 1.00 0.00 H new ATOM 0 HE ARG A 44 7.799 11.269 -0.424 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.927 12.965 2.575 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.982 14.336 2.216 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.165 12.996 -0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.239 14.353 0.308 1.00 0.00 H new ATOM 688 N GLU A 45 1.409 11.696 -0.498 1.00 0.00 N ATOM 689 CA GLU A 45 0.249 12.572 -0.640 1.00 0.00 C ATOM 690 C GLU A 45 0.646 14.032 -0.401 1.00 0.00 C ATOM 691 O GLU A 45 -0.029 14.944 -0.873 1.00 0.00 O ATOM 692 CB GLU A 45 -0.841 12.085 0.318 1.00 0.00 C ATOM 693 CG GLU A 45 -2.157 12.851 0.164 1.00 0.00 C ATOM 694 CD GLU A 45 -2.242 14.117 1.021 1.00 0.00 C ATOM 695 OE1 GLU A 45 -1.318 14.356 1.833 1.00 0.00 O ATOM 696 OE2 GLU A 45 -3.246 14.847 0.850 1.00 0.00 O ATOM 0 H GLU A 45 1.365 11.067 0.304 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.145 12.531 -1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.022 11.024 0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.487 12.185 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.287 13.124 -0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.983 12.190 0.426 1.00 0.00 H new ATOM 703 N GLU A 46 1.742 14.254 0.331 1.00 0.00 N ATOM 704 CA GLU A 46 2.250 15.590 0.617 1.00 0.00 C ATOM 705 C GLU A 46 3.142 16.110 -0.515 1.00 0.00 C ATOM 706 O GLU A 46 3.605 17.249 -0.462 1.00 0.00 O ATOM 707 CB GLU A 46 3.022 15.555 1.943 1.00 0.00 C ATOM 708 CG GLU A 46 4.290 14.708 1.826 1.00 0.00 C ATOM 709 CD GLU A 46 4.893 14.403 3.195 1.00 0.00 C ATOM 710 OE1 GLU A 46 5.143 15.367 3.954 1.00 0.00 O ATOM 711 OE2 GLU A 46 5.099 13.200 3.471 1.00 0.00 O ATOM 0 H GLU A 46 2.301 13.506 0.741 1.00 0.00 H new ATOM 0 HA GLU A 46 1.407 16.276 0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.286 16.570 2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.383 15.150 2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.058 13.774 1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.023 15.233 1.214 1.00 0.00 H new ATOM 718 N ILE A 47 3.384 15.282 -1.536 1.00 0.00 N ATOM 719 CA ILE A 47 4.210 15.634 -2.687 1.00 0.00 C ATOM 720 C ILE A 47 3.385 15.567 -3.964 1.00 0.00 C ATOM 721 O ILE A 47 3.611 16.350 -4.882 1.00 0.00 O ATOM 722 CB ILE A 47 5.401 14.674 -2.755 1.00 0.00 C ATOM 723 CG1 ILE A 47 6.372 14.895 -1.590 1.00 0.00 C ATOM 724 CG2 ILE A 47 6.153 14.824 -4.073 1.00 0.00 C ATOM 725 CD1 ILE A 47 6.881 16.337 -1.485 1.00 0.00 C ATOM 0 H ILE A 47 3.005 14.336 -1.583 1.00 0.00 H new ATOM 0 HA ILE A 47 4.579 16.654 -2.581 1.00 0.00 H new ATOM 0 HB ILE A 47 4.996 13.664 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.877 14.624 -0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.224 14.225 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.993 14.130 -4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.481 14.604 -4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.523 15.845 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.563 16.421 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.405 16.606 -2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.037 17.011 -1.339 1.00 0.00 H new ATOM 737 N TYR A 48 2.423 14.644 -4.037 1.00 0.00 N ATOM 738 CA TYR A 48 1.587 14.499 -5.211 1.00 0.00 C ATOM 739 C TYR A 48 0.875 15.809 -5.540 1.00 0.00 C ATOM 740 O TYR A 48 0.706 16.144 -6.710 1.00 0.00 O ATOM 741 CB TYR A 48 0.566 13.398 -4.951 1.00 0.00 C ATOM 742 CG TYR A 48 -0.554 13.392 -5.962 1.00 0.00 C ATOM 743 CD1 TYR A 48 -0.270 13.270 -7.333 1.00 0.00 C ATOM 744 CD2 TYR A 48 -1.879 13.521 -5.524 1.00 0.00 C ATOM 745 CE1 TYR A 48 -1.312 13.303 -8.272 1.00 0.00 C ATOM 746 CE2 TYR A 48 -2.925 13.545 -6.454 1.00 0.00 C ATOM 747 CZ TYR A 48 -2.647 13.435 -7.833 1.00 0.00 C ATOM 748 OH TYR A 48 -3.659 13.458 -8.743 1.00 0.00 O ATOM 0 H TYR A 48 2.210 13.986 -3.287 1.00 0.00 H new ATOM 0 HA TYR A 48 2.211 14.236 -6.065 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.069 12.431 -4.966 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.148 13.524 -3.952 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.751 13.151 -7.664 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.093 13.602 -4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.093 13.228 -9.327 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.946 13.648 -6.116 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.516 13.553 -8.277 1.00 0.00 H new ATOM 758 N GLN A 49 0.457 16.556 -4.511 1.00 0.00 N ATOM 759 CA GLN A 49 -0.237 17.818 -4.712 1.00 0.00 C ATOM 760 C GLN A 49 0.675 18.849 -5.372 1.00 0.00 C ATOM 761 O GLN A 49 0.193 19.815 -5.959 1.00 0.00 O ATOM 762 CB GLN A 49 -0.713 18.360 -3.362 1.00 0.00 C ATOM 763 CG GLN A 49 -1.661 17.381 -2.672 1.00 0.00 C ATOM 764 CD GLN A 49 -2.079 17.907 -1.305 1.00 0.00 C ATOM 765 OE1 GLN A 49 -2.762 18.922 -1.199 1.00 0.00 O ATOM 766 NE2 GLN A 49 -1.673 17.220 -0.245 1.00 0.00 N ATOM 0 H GLN A 49 0.591 16.301 -3.532 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.089 17.638 -5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.147 18.549 -2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.217 19.315 -3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.544 17.224 -3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.173 16.413 -2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.107 16.381 -0.368 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.927 17.531 0.692 1.00 0.00 H new ATOM 775 N ARG A 50 1.995 18.649 -5.283 1.00 0.00 N ATOM 776 CA ARG A 50 2.968 19.584 -5.821 1.00 0.00 C ATOM 777 C ARG A 50 3.266 19.294 -7.289 1.00 0.00 C ATOM 778 O ARG A 50 3.480 20.225 -8.059 1.00 0.00 O ATOM 779 CB ARG A 50 4.241 19.507 -4.976 1.00 0.00 C ATOM 780 CG ARG A 50 5.273 20.508 -5.476 1.00 0.00 C ATOM 781 CD ARG A 50 6.476 20.480 -4.540 1.00 0.00 C ATOM 782 NE ARG A 50 6.169 21.123 -3.257 1.00 0.00 N ATOM 783 CZ ARG A 50 6.624 20.714 -2.067 1.00 0.00 C ATOM 784 NH1 ARG A 50 7.426 19.654 -1.969 1.00 0.00 N ATOM 785 NH2 ARG A 50 6.276 21.363 -0.961 1.00 0.00 N ATOM 0 H ARG A 50 2.410 17.832 -4.835 1.00 0.00 H new ATOM 0 HA ARG A 50 2.560 20.594 -5.776 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.004 19.710 -3.932 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.653 18.499 -5.019 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.579 20.259 -6.492 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.843 21.509 -5.509 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.782 19.448 -4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.318 20.987 -5.011 1.00 0.00 H new ATOM 0 HE ARG A 50 5.563 21.943 -3.274 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.701 19.143 -2.808 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.765 19.354 -1.055 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.661 22.175 -1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.624 21.050 -0.055 1.00 0.00 H new ATOM 799 N ILE A 51 3.283 18.020 -7.690 1.00 0.00 N ATOM 800 CA ILE A 51 3.461 17.668 -9.093 1.00 0.00 C ATOM 801 C ILE A 51 2.265 18.182 -9.897 1.00 0.00 C ATOM 802 O ILE A 51 2.332 18.304 -11.120 1.00 0.00 O ATOM 803 CB ILE A 51 3.705 16.159 -9.262 1.00 0.00 C ATOM 804 CG1 ILE A 51 5.105 15.761 -8.774 1.00 0.00 C ATOM 805 CG2 ILE A 51 3.651 15.757 -10.738 1.00 0.00 C ATOM 806 CD1 ILE A 51 5.227 15.754 -7.255 1.00 0.00 C ATOM 0 H ILE A 51 3.176 17.222 -7.064 1.00 0.00 H new ATOM 0 HA ILE A 51 4.355 18.152 -9.486 1.00 0.00 H new ATOM 0 HB ILE A 51 2.928 15.662 -8.681 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.349 14.770 -9.157 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.838 16.453 -9.189 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.827 14.685 -10.830 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.670 16.000 -11.146 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.418 16.299 -11.291 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.239 15.465 -6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.013 16.750 -6.868 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.516 15.042 -6.836 1.00 0.00 H new ATOM 1635 N MET C 1 11.969 0.129 -7.849 1.00 0.00 N ATOM 1636 CA MET C 1 11.559 0.144 -6.430 1.00 0.00 C ATOM 1637 C MET C 1 11.694 1.542 -5.849 1.00 0.00 C ATOM 1638 O MET C 1 12.780 2.114 -5.872 1.00 0.00 O ATOM 1639 CB MET C 1 12.412 -0.822 -5.603 1.00 0.00 C ATOM 1640 CG MET C 1 12.113 -0.680 -4.113 1.00 0.00 C ATOM 1641 SD MET C 1 10.445 -1.184 -3.632 1.00 0.00 S ATOM 1642 CE MET C 1 10.774 -2.955 -3.503 1.00 0.00 C ATOM 0 H1 MET C 1 11.870 -0.834 -8.229 1.00 0.00 H new ATOM 0 H2 MET C 1 11.365 0.779 -8.392 1.00 0.00 H new ATOM 0 H3 MET C 1 12.961 0.432 -7.927 1.00 0.00 H new ATOM 0 HA MET C 1 10.516 -0.171 -6.387 1.00 0.00 H new ATOM 0 HB2 MET C 1 12.218 -1.847 -5.920 1.00 0.00 H new ATOM 0 HB3 MET C 1 13.469 -0.627 -5.785 1.00 0.00 H new ATOM 0 HG2 MET C 1 12.834 -1.274 -3.552 1.00 0.00 H new ATOM 0 HG3 MET C 1 12.263 0.360 -3.823 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.861 -3.474 -3.211 1.00 0.00 H new ATOM 0 HE2 MET C 1 11.114 -3.333 -4.467 1.00 0.00 H new ATOM 0 HE3 MET C 1 11.546 -3.128 -2.753 1.00 0.00 H new ATOM 1654 N LEU C 2 10.598 2.089 -5.322 1.00 0.00 N ATOM 1655 CA LEU C 2 10.598 3.393 -4.685 1.00 0.00 C ATOM 1656 C LEU C 2 9.995 3.213 -3.292 1.00 0.00 C ATOM 1657 O LEU C 2 8.801 2.945 -3.163 1.00 0.00 O ATOM 1658 CB LEU C 2 9.810 4.367 -5.569 1.00 0.00 C ATOM 1659 CG LEU C 2 9.878 5.847 -5.165 1.00 0.00 C ATOM 1660 CD1 LEU C 2 8.600 6.234 -4.436 1.00 0.00 C ATOM 1661 CD2 LEU C 2 11.055 6.198 -4.254 1.00 0.00 C ATOM 0 H LEU C 2 9.686 1.633 -5.328 1.00 0.00 H new ATOM 0 HA LEU C 2 11.598 3.812 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.173 4.273 -6.592 1.00 0.00 H new ATOM 0 HB3 LEU C 2 8.764 4.059 -5.572 1.00 0.00 H new ATOM 0 HG LEU C 2 10.010 6.398 -6.096 1.00 0.00 H new ATOM 0 HD11 LEU C 2 8.649 7.285 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU C 2 7.744 6.076 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU C 2 8.490 5.619 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU C 2 11.027 7.262 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU C 2 10.987 5.619 -3.333 1.00 0.00 H new ATOM 0 HD23 LEU C 2 11.991 5.963 -4.762 1.00 0.00 H new ATOM 1673 N ILE C 3 10.828 3.351 -2.258 1.00 0.00 N ATOM 1674 CA ILE C 3 10.403 3.214 -0.877 1.00 0.00 C ATOM 1675 C ILE C 3 9.956 4.569 -0.344 1.00 0.00 C ATOM 1676 O ILE C 3 10.497 5.608 -0.723 1.00 0.00 O ATOM 1677 CB ILE C 3 11.540 2.681 0.013 1.00 0.00 C ATOM 1678 CG1 ILE C 3 11.945 1.250 -0.350 1.00 0.00 C ATOM 1679 CG2 ILE C 3 11.052 2.658 1.467 1.00 0.00 C ATOM 1680 CD1 ILE C 3 13.030 1.212 -1.421 1.00 0.00 C ATOM 0 H ILE C 3 11.820 3.562 -2.364 1.00 0.00 H new ATOM 0 HA ILE C 3 9.578 2.502 -0.851 1.00 0.00 H new ATOM 0 HB ILE C 3 12.400 3.336 -0.131 1.00 0.00 H new ATOM 0 HG12 ILE C 3 12.301 0.737 0.544 1.00 0.00 H new ATOM 0 HG13 ILE C 3 11.069 0.705 -0.703 1.00 0.00 H new ATOM 0 HG21 ILE C 3 11.847 2.282 2.112 1.00 0.00 H new ATOM 0 HG22 ILE C 3 10.781 3.668 1.776 1.00 0.00 H new ATOM 0 HG23 ILE C 3 10.181 2.008 1.548 1.00 0.00 H new ATOM 0 HD11 ILE C 3 13.284 0.176 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE C 3 12.666 1.700 -2.325 1.00 0.00 H new ATOM 0 HD13 ILE C 3 13.917 1.733 -1.059 1.00 0.00 H new ATOM 1692 N LEU C 4 8.962 4.536 0.540 1.00 0.00 N ATOM 1693 CA LEU C 4 8.460 5.693 1.251 1.00 0.00 C ATOM 1694 C LEU C 4 8.146 5.259 2.681 1.00 0.00 C ATOM 1695 O LEU C 4 7.976 4.069 2.944 1.00 0.00 O ATOM 1696 CB LEU C 4 7.187 6.202 0.562 1.00 0.00 C ATOM 1697 CG LEU C 4 7.422 6.648 -0.885 1.00 0.00 C ATOM 1698 CD1 LEU C 4 6.083 6.940 -1.553 1.00 0.00 C ATOM 1699 CD2 LEU C 4 8.288 7.903 -0.939 1.00 0.00 C ATOM 0 H LEU C 4 8.474 3.674 0.784 1.00 0.00 H new ATOM 0 HA LEU C 4 9.196 6.497 1.255 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.434 5.414 0.575 1.00 0.00 H new ATOM 0 HB3 LEU C 4 6.782 7.038 1.132 1.00 0.00 H new ATOM 0 HG LEU C 4 7.938 5.844 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU C 4 6.251 7.257 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU C 4 5.469 6.039 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU C 4 5.570 7.733 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU C 4 8.438 8.197 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU C 4 7.792 8.711 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU C 4 9.254 7.699 -0.476 1.00 0.00 H new ATOM 1711 N THR C 5 8.068 6.215 3.604 1.00 0.00 N ATOM 1712 CA THR C 5 7.670 5.923 4.975 1.00 0.00 C ATOM 1713 C THR C 5 6.398 6.693 5.280 1.00 0.00 C ATOM 1714 O THR C 5 6.233 7.832 4.836 1.00 0.00 O ATOM 1715 CB THR C 5 8.771 6.278 5.973 1.00 0.00 C ATOM 1716 OG1 THR C 5 9.122 7.638 5.852 1.00 0.00 O ATOM 1717 CG2 THR C 5 10.016 5.429 5.752 1.00 0.00 C ATOM 0 H THR C 5 8.276 7.198 3.425 1.00 0.00 H new ATOM 0 HA THR C 5 7.493 4.852 5.074 1.00 0.00 H new ATOM 0 HB THR C 5 8.381 6.081 6.971 1.00 0.00 H new ATOM 0 HG1 THR C 5 9.827 7.853 6.498 1.00 0.00 H new ATOM 0 HG21 THR C 5 10.780 5.707 6.478 1.00 0.00 H new ATOM 0 HG22 THR C 5 9.765 4.376 5.875 1.00 0.00 H new ATOM 0 HG23 THR C 5 10.396 5.596 4.744 1.00 0.00 H new ATOM 1725 N ARG C 6 5.491 6.071 6.043 1.00 0.00 N ATOM 1726 CA ARG C 6 4.211 6.694 6.346 1.00 0.00 C ATOM 1727 C ARG C 6 3.728 6.307 7.743 1.00 0.00 C ATOM 1728 O ARG C 6 3.668 5.123 8.061 1.00 0.00 O ATOM 1729 CB ARG C 6 3.230 6.215 5.273 1.00 0.00 C ATOM 1730 CG ARG C 6 1.983 7.087 5.138 1.00 0.00 C ATOM 1731 CD ARG C 6 2.262 8.434 4.464 1.00 0.00 C ATOM 1732 NE ARG C 6 2.870 9.408 5.376 1.00 0.00 N ATOM 1733 CZ ARG C 6 3.558 10.491 4.994 1.00 0.00 C ATOM 1734 NH1 ARG C 6 3.739 10.774 3.706 1.00 0.00 N ATOM 1735 NH2 ARG C 6 4.071 11.303 5.913 1.00 0.00 N ATOM 0 H ARG C 6 5.623 5.147 6.455 1.00 0.00 H new ATOM 0 HA ARG C 6 4.296 7.781 6.340 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.745 6.184 4.313 1.00 0.00 H new ATOM 0 HB3 ARG C 6 2.924 5.195 5.504 1.00 0.00 H new ATOM 0 HG2 ARG C 6 1.231 6.548 4.562 1.00 0.00 H new ATOM 0 HG3 ARG C 6 1.561 7.263 6.128 1.00 0.00 H new ATOM 0 HD2 ARG C 6 2.923 8.279 3.611 1.00 0.00 H new ATOM 0 HD3 ARG C 6 1.329 8.841 4.074 1.00 0.00 H new ATOM 0 HE ARG C 6 2.760 9.248 6.377 1.00 0.00 H new ATOM 0 HH11 ARG C 6 3.350 10.161 2.990 1.00 0.00 H new ATOM 0 HH12 ARG C 6 4.266 11.604 3.435 1.00 0.00 H new ATOM 0 HH21 ARG C 6 3.940 11.100 6.904 1.00 0.00 H new ATOM 0 HH22 ARG C 6 4.596 12.129 5.627 1.00 0.00 H new ATOM 1749 N LYS C 7 3.377 7.296 8.576 1.00 0.00 N ATOM 1750 CA LYS C 7 2.802 7.038 9.896 1.00 0.00 C ATOM 1751 C LYS C 7 1.343 6.635 9.694 1.00 0.00 C ATOM 1752 O LYS C 7 0.717 7.066 8.727 1.00 0.00 O ATOM 1753 CB LYS C 7 2.889 8.311 10.755 1.00 0.00 C ATOM 1754 CG LYS C 7 3.526 8.079 12.132 1.00 0.00 C ATOM 1755 CD LYS C 7 4.999 7.672 12.018 1.00 0.00 C ATOM 1756 CE LYS C 7 5.652 7.607 13.400 1.00 0.00 C ATOM 1757 NZ LYS C 7 5.738 8.942 14.028 1.00 0.00 N ATOM 0 H LYS C 7 3.483 8.286 8.354 1.00 0.00 H new ATOM 0 HA LYS C 7 3.345 6.243 10.407 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.467 9.063 10.218 1.00 0.00 H new ATOM 0 HB3 LYS C 7 1.887 8.717 10.891 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.446 8.989 12.727 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.974 7.302 12.661 1.00 0.00 H new ATOM 0 HD2 LYS C 7 5.076 6.701 11.528 1.00 0.00 H new ATOM 0 HD3 LYS C 7 5.532 8.388 11.392 1.00 0.00 H new ATOM 0 HE2 LYS C 7 5.078 6.939 14.042 1.00 0.00 H new ATOM 0 HE3 LYS C 7 6.652 7.182 13.310 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 6.425 8.915 14.809 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 6.046 9.639 13.320 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.804 9.213 14.398 1.00 0.00 H new ATOM 1771 N VAL C 8 0.786 5.813 10.589 1.00 0.00 N ATOM 1772 CA VAL C 8 -0.610 5.419 10.429 1.00 0.00 C ATOM 1773 C VAL C 8 -1.501 6.663 10.413 1.00 0.00 C ATOM 1774 O VAL C 8 -1.273 7.602 11.174 1.00 0.00 O ATOM 1775 CB VAL C 8 -1.052 4.422 11.507 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -0.141 3.196 11.502 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -1.056 5.025 12.909 1.00 0.00 C ATOM 0 H VAL C 8 1.262 5.422 11.402 1.00 0.00 H new ATOM 0 HA VAL C 8 -0.713 4.904 9.474 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.076 4.140 11.261 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.467 2.497 12.272 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -0.190 2.710 10.527 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.885 3.504 11.703 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -1.377 4.272 13.628 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -0.051 5.363 13.162 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.742 5.871 12.939 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.515 6.664 9.544 1.00 0.00 N ATOM 1788 CA GLY C 9 -3.447 7.779 9.425 1.00 0.00 C ATOM 1789 C GLY C 9 -3.078 8.744 8.295 1.00 0.00 C ATOM 1790 O GLY C 9 -3.816 9.698 8.053 1.00 0.00 O ATOM 0 H GLY C 9 -2.709 5.892 8.906 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -4.451 7.391 9.251 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -3.475 8.325 10.368 1.00 0.00 H new ATOM 1794 N GLU C 10 -1.957 8.514 7.599 1.00 0.00 N ATOM 1795 CA GLU C 10 -1.538 9.370 6.492 1.00 0.00 C ATOM 1796 C GLU C 10 -1.776 8.667 5.149 1.00 0.00 C ATOM 1797 O GLU C 10 -2.337 7.574 5.116 1.00 0.00 O ATOM 1798 CB GLU C 10 -0.072 9.772 6.678 1.00 0.00 C ATOM 1799 CG GLU C 10 0.150 10.509 8.001 1.00 0.00 C ATOM 1800 CD GLU C 10 1.611 10.936 8.162 1.00 0.00 C ATOM 1801 OE1 GLU C 10 2.495 10.067 8.001 1.00 0.00 O ATOM 1802 OE2 GLU C 10 1.831 12.136 8.447 1.00 0.00 O ATOM 0 H GLU C 10 -1.324 7.737 7.788 1.00 0.00 H new ATOM 0 HA GLU C 10 -2.138 10.280 6.487 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.556 8.882 6.648 1.00 0.00 H new ATOM 0 HB3 GLU C 10 0.238 10.409 5.850 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -0.494 11.387 8.043 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -0.136 9.864 8.832 1.00 0.00 H new ATOM 1809 N SER C 11 -1.353 9.279 4.033 1.00 0.00 N ATOM 1810 CA SER C 11 -1.682 8.765 2.702 1.00 0.00 C ATOM 1811 C SER C 11 -0.518 8.857 1.715 1.00 0.00 C ATOM 1812 O SER C 11 0.492 9.512 1.972 1.00 0.00 O ATOM 1813 CB SER C 11 -2.875 9.548 2.147 1.00 0.00 C ATOM 1814 OG SER C 11 -4.007 9.409 2.978 1.00 0.00 O ATOM 0 H SER C 11 -0.785 10.126 4.029 1.00 0.00 H new ATOM 0 HA SER C 11 -1.919 7.707 2.816 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.612 10.602 2.059 1.00 0.00 H new ATOM 0 HB3 SER C 11 -3.111 9.193 1.144 1.00 0.00 H new ATOM 0 HG SER C 11 -4.754 9.920 2.602 1.00 0.00 H new ATOM 1820 N ILE C 12 -0.687 8.182 0.575 1.00 0.00 N ATOM 1821 CA ILE C 12 0.282 8.061 -0.513 1.00 0.00 C ATOM 1822 C ILE C 12 -0.497 8.114 -1.834 1.00 0.00 C ATOM 1823 O ILE C 12 -1.717 7.966 -1.830 1.00 0.00 O ATOM 1824 CB ILE C 12 1.051 6.735 -0.342 1.00 0.00 C ATOM 1825 CG1 ILE C 12 1.873 6.699 0.954 1.00 0.00 C ATOM 1826 CG2 ILE C 12 1.964 6.434 -1.534 1.00 0.00 C ATOM 1827 CD1 ILE C 12 3.033 7.694 0.955 1.00 0.00 C ATOM 0 H ILE C 12 -1.552 7.678 0.377 1.00 0.00 H new ATOM 0 HA ILE C 12 1.013 8.869 -0.507 1.00 0.00 H new ATOM 0 HB ILE C 12 0.285 5.961 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE C 12 1.218 6.912 1.799 1.00 0.00 H new ATOM 0 HG13 ILE C 12 2.265 5.693 1.101 1.00 0.00 H new ATOM 0 HG21 ILE C 12 2.483 5.490 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE C 12 1.365 6.362 -2.442 1.00 0.00 H new ATOM 0 HG23 ILE C 12 2.695 7.235 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE C 12 3.575 7.620 1.898 1.00 0.00 H new ATOM 0 HD12 ILE C 12 3.708 7.467 0.130 1.00 0.00 H new ATOM 0 HD13 ILE C 12 2.645 8.706 0.838 1.00 0.00 H new ATOM 1839 N ASN C 13 0.180 8.318 -2.972 1.00 0.00 N ATOM 1840 CA ASN C 13 -0.485 8.457 -4.264 1.00 0.00 C ATOM 1841 C ASN C 13 0.266 7.754 -5.391 1.00 0.00 C ATOM 1842 O ASN C 13 1.482 7.569 -5.332 1.00 0.00 O ATOM 1843 CB ASN C 13 -0.622 9.946 -4.594 1.00 0.00 C ATOM 1844 CG ASN C 13 -1.848 10.544 -3.922 1.00 0.00 C ATOM 1845 OD1 ASN C 13 -1.747 11.237 -2.917 1.00 0.00 O ATOM 1846 ND2 ASN C 13 -3.019 10.269 -4.486 1.00 0.00 N ATOM 0 H ASN C 13 1.196 8.390 -3.018 1.00 0.00 H new ATOM 0 HA ASN C 13 -1.463 7.982 -4.185 1.00 0.00 H new ATOM 0 HB2 ASN C 13 0.272 10.478 -4.267 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -0.695 10.077 -5.674 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -3.879 10.640 -4.082 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -3.058 9.687 -5.323 1.00 0.00 H new ATOM 1853 N ILE C 14 -0.480 7.356 -6.427 1.00 0.00 N ATOM 1854 CA ILE C 14 0.049 6.669 -7.597 1.00 0.00 C ATOM 1855 C ILE C 14 -0.711 7.147 -8.832 1.00 0.00 C ATOM 1856 O ILE C 14 -1.913 7.412 -8.767 1.00 0.00 O ATOM 1857 CB ILE C 14 -0.099 5.148 -7.424 1.00 0.00 C ATOM 1858 CG1 ILE C 14 0.580 4.676 -6.131 1.00 0.00 C ATOM 1859 CG2 ILE C 14 0.500 4.419 -8.634 1.00 0.00 C ATOM 1860 CD1 ILE C 14 0.420 3.174 -5.902 1.00 0.00 C ATOM 0 H ILE C 14 -1.488 7.508 -6.471 1.00 0.00 H new ATOM 0 HA ILE C 14 1.109 6.895 -7.716 1.00 0.00 H new ATOM 0 HB ILE C 14 -1.161 4.912 -7.357 1.00 0.00 H new ATOM 0 HG12 ILE C 14 1.641 4.924 -6.170 1.00 0.00 H new ATOM 0 HG13 ILE C 14 0.157 5.217 -5.284 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.390 3.343 -8.501 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -0.022 4.728 -9.540 1.00 0.00 H new ATOM 0 HG23 ILE C 14 1.558 4.668 -8.722 1.00 0.00 H new ATOM 0 HD11 ILE C 14 0.918 2.892 -4.974 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.640 2.927 -5.834 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.867 2.629 -6.734 1.00 0.00 H new ATOM 1872 N GLY C 15 -0.006 7.258 -9.961 1.00 0.00 N ATOM 1873 CA GLY C 15 -0.596 7.729 -11.204 1.00 0.00 C ATOM 1874 C GLY C 15 -1.243 9.099 -11.006 1.00 0.00 C ATOM 1875 O GLY C 15 -0.707 9.958 -10.307 1.00 0.00 O ATOM 0 H GLY C 15 0.984 7.024 -10.033 1.00 0.00 H new ATOM 0 HA2 GLY C 15 0.171 7.791 -11.976 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -1.342 7.015 -11.552 1.00 0.00 H new ATOM 1879 N ASP C 16 -2.404 9.283 -11.634 1.00 0.00 N ATOM 1880 CA ASP C 16 -3.195 10.505 -11.530 1.00 0.00 C ATOM 1881 C ASP C 16 -4.645 10.153 -11.187 1.00 0.00 C ATOM 1882 O ASP C 16 -5.527 11.010 -11.244 1.00 0.00 O ATOM 1883 CB ASP C 16 -3.110 11.285 -12.844 1.00 0.00 C ATOM 1884 CG ASP C 16 -1.673 11.678 -13.175 1.00 0.00 C ATOM 1885 OD1 ASP C 16 -1.225 12.724 -12.658 1.00 0.00 O ATOM 1886 OD2 ASP C 16 -1.032 10.927 -13.946 1.00 0.00 O ATOM 0 H ASP C 16 -2.826 8.577 -12.237 1.00 0.00 H new ATOM 0 HA ASP C 16 -2.800 11.135 -10.733 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -3.517 10.680 -13.654 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -3.726 12.182 -12.775 1.00 0.00 H new ATOM 1891 N ASP C 17 -4.889 8.889 -10.831 1.00 0.00 N ATOM 1892 CA ASP C 17 -6.222 8.376 -10.554 1.00 0.00 C ATOM 1893 C ASP C 17 -6.225 7.393 -9.384 1.00 0.00 C ATOM 1894 O ASP C 17 -7.250 6.759 -9.136 1.00 0.00 O ATOM 1895 CB ASP C 17 -6.775 7.690 -11.805 1.00 0.00 C ATOM 1896 CG ASP C 17 -6.913 8.658 -12.973 1.00 0.00 C ATOM 1897 OD1 ASP C 17 -7.920 9.400 -12.993 1.00 0.00 O ATOM 1898 OD2 ASP C 17 -6.011 8.650 -13.841 1.00 0.00 O ATOM 0 H ASP C 17 -4.154 8.189 -10.727 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.854 9.220 -10.277 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -6.116 6.870 -12.090 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -7.748 7.254 -11.579 1.00 0.00 H new ATOM 1903 N ILE C 18 -5.113 7.249 -8.647 1.00 0.00 N ATOM 1904 CA ILE C 18 -5.064 6.308 -7.532 1.00 0.00 C ATOM 1905 C ILE C 18 -4.510 6.996 -6.284 1.00 0.00 C ATOM 1906 O ILE C 18 -3.631 7.856 -6.357 1.00 0.00 O ATOM 1907 CB ILE C 18 -4.227 5.070 -7.898 1.00 0.00 C ATOM 1908 CG1 ILE C 18 -4.775 4.332 -9.127 1.00 0.00 C ATOM 1909 CG2 ILE C 18 -4.222 4.091 -6.721 1.00 0.00 C ATOM 1910 CD1 ILE C 18 -4.145 4.842 -10.425 1.00 0.00 C ATOM 0 H ILE C 18 -4.249 7.768 -8.805 1.00 0.00 H new ATOM 0 HA ILE C 18 -6.078 5.971 -7.317 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.222 5.423 -8.128 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -4.583 3.264 -9.025 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.857 4.458 -9.174 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -3.629 3.214 -6.980 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.789 4.576 -5.846 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -5.244 3.785 -6.498 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -4.560 4.294 -11.271 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.360 5.904 -10.541 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -3.066 4.692 -10.389 1.00 0.00 H new ATOM 1922 N THR C 19 -5.040 6.596 -5.125 1.00 0.00 N ATOM 1923 CA THR C 19 -4.617 7.084 -3.823 1.00 0.00 C ATOM 1924 C THR C 19 -4.543 5.890 -2.875 1.00 0.00 C ATOM 1925 O THR C 19 -5.215 4.882 -3.097 1.00 0.00 O ATOM 1926 CB THR C 19 -5.601 8.145 -3.317 1.00 0.00 C ATOM 1927 OG1 THR C 19 -5.751 9.164 -4.277 1.00 0.00 O ATOM 1928 CG2 THR C 19 -5.124 8.794 -2.016 1.00 0.00 C ATOM 0 H THR C 19 -5.791 5.908 -5.072 1.00 0.00 H new ATOM 0 HA THR C 19 -3.636 7.556 -3.884 1.00 0.00 H new ATOM 0 HB THR C 19 -6.548 7.636 -3.136 1.00 0.00 H new ATOM 0 HG1 THR C 19 -6.382 9.836 -3.945 1.00 0.00 H new ATOM 0 HG21 THR C 19 -5.851 9.539 -1.693 1.00 0.00 H new ATOM 0 HG22 THR C 19 -5.021 8.030 -1.245 1.00 0.00 H new ATOM 0 HG23 THR C 19 -4.160 9.275 -2.182 1.00 0.00 H new ATOM 1936 N ILE C 20 -3.738 6.005 -1.820 1.00 0.00 N ATOM 1937 CA ILE C 20 -3.491 4.937 -0.864 1.00 0.00 C ATOM 1938 C ILE C 20 -3.523 5.535 0.539 1.00 0.00 C ATOM 1939 O ILE C 20 -3.147 6.694 0.714 1.00 0.00 O ATOM 1940 CB ILE C 20 -2.103 4.334 -1.141 1.00 0.00 C ATOM 1941 CG1 ILE C 20 -1.929 3.846 -2.584 1.00 0.00 C ATOM 1942 CG2 ILE C 20 -1.795 3.195 -0.160 1.00 0.00 C ATOM 1943 CD1 ILE C 20 -2.789 2.622 -2.897 1.00 0.00 C ATOM 0 H ILE C 20 -3.230 6.863 -1.605 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.247 4.157 -0.952 1.00 0.00 H new ATOM 0 HB ILE C 20 -1.390 5.145 -0.993 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -2.188 4.652 -3.270 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -0.881 3.603 -2.758 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -0.808 2.785 -0.376 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.813 3.579 0.860 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.545 2.411 -0.266 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -2.627 2.318 -3.931 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -2.514 1.804 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.841 2.869 -2.752 1.00 0.00 H new ATOM 1955 N THR C 21 -3.966 4.760 1.534 1.00 0.00 N ATOM 1956 CA THR C 21 -4.039 5.245 2.904 1.00 0.00 C ATOM 1957 C THR C 21 -3.650 4.135 3.873 1.00 0.00 C ATOM 1958 O THR C 21 -4.222 3.044 3.843 1.00 0.00 O ATOM 1959 CB THR C 21 -5.463 5.730 3.195 1.00 0.00 C ATOM 1960 OG1 THR C 21 -5.860 6.684 2.233 1.00 0.00 O ATOM 1961 CG2 THR C 21 -5.549 6.390 4.572 1.00 0.00 C ATOM 0 H THR C 21 -4.278 3.797 1.410 1.00 0.00 H new ATOM 0 HA THR C 21 -3.344 6.075 3.033 1.00 0.00 H new ATOM 0 HB THR C 21 -6.116 4.858 3.163 1.00 0.00 H new ATOM 0 HG1 THR C 21 -6.772 6.986 2.428 1.00 0.00 H new ATOM 0 HG21 THR C 21 -6.571 6.725 4.752 1.00 0.00 H new ATOM 0 HG22 THR C 21 -5.262 5.670 5.339 1.00 0.00 H new ATOM 0 HG23 THR C 21 -4.875 7.246 4.608 1.00 0.00 H new ATOM 1969 N ILE C 22 -2.669 4.411 4.732 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.225 3.474 5.753 1.00 0.00 C ATOM 1971 C ILE C 22 -3.196 3.544 6.932 1.00 0.00 C ATOM 1972 O ILE C 22 -3.027 4.347 7.851 1.00 0.00 O ATOM 1973 CB ILE C 22 -0.760 3.755 6.130 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -0.300 2.950 7.346 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -0.496 5.237 6.409 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -0.531 1.455 7.147 1.00 0.00 C ATOM 0 H ILE C 22 -2.161 5.295 4.736 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.239 2.449 5.383 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.188 3.446 5.255 1.00 0.00 H new ATOM 0 HG12 ILE C 22 0.759 3.135 7.526 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -0.838 3.288 8.232 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.553 5.377 6.670 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -0.730 5.822 5.519 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -1.123 5.569 7.237 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -0.193 0.914 8.031 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -1.594 1.268 6.992 1.00 0.00 H new ATOM 0 HD13 ILE C 22 0.028 1.113 6.276 1.00 0.00 H new ATOM 1988 N LEU C 23 -4.227 2.696 6.902 1.00 0.00 N ATOM 1989 CA LEU C 23 -5.276 2.727 7.915 1.00 0.00 C ATOM 1990 C LEU C 23 -4.724 2.330 9.286 1.00 0.00 C ATOM 1991 O LEU C 23 -5.212 2.824 10.300 1.00 0.00 O ATOM 1992 CB LEU C 23 -6.416 1.790 7.514 1.00 0.00 C ATOM 1993 CG LEU C 23 -6.922 2.043 6.092 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -8.095 1.114 5.800 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -7.405 3.474 5.898 1.00 0.00 C ATOM 0 H LEU C 23 -4.355 1.981 6.186 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.657 3.746 7.984 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.077 0.757 7.595 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.242 1.910 8.215 1.00 0.00 H new ATOM 0 HG LEU C 23 -6.086 1.860 5.417 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -8.457 1.292 4.788 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.770 0.078 5.892 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -8.898 1.307 6.512 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.754 3.604 4.874 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.223 3.679 6.589 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -6.584 4.165 6.092 1.00 0.00 H new ATOM 2007 N GLY C 24 -3.714 1.455 9.323 1.00 0.00 N ATOM 2008 CA GLY C 24 -3.037 1.145 10.578 1.00 0.00 C ATOM 2009 C GLY C 24 -2.297 -0.189 10.541 1.00 0.00 C ATOM 2010 O GLY C 24 -2.198 -0.821 9.491 1.00 0.00 O ATOM 0 H GLY C 24 -3.354 0.957 8.509 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -2.329 1.941 10.809 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -3.770 1.126 11.385 1.00 0.00 H new ATOM 2014 N VAL C 25 -1.778 -0.608 11.701 1.00 0.00 N ATOM 2015 CA VAL C 25 -1.069 -1.879 11.836 1.00 0.00 C ATOM 2016 C VAL C 25 -1.519 -2.608 13.095 1.00 0.00 C ATOM 2017 O VAL C 25 -2.082 -2.000 14.006 1.00 0.00 O ATOM 2018 CB VAL C 25 0.459 -1.678 11.863 1.00 0.00 C ATOM 2019 CG1 VAL C 25 0.905 -0.601 10.869 1.00 0.00 C ATOM 2020 CG2 VAL C 25 0.964 -1.295 13.254 1.00 0.00 C ATOM 0 H VAL C 25 -1.839 -0.075 12.568 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.314 -2.484 10.963 1.00 0.00 H new ATOM 0 HB VAL C 25 0.890 -2.638 11.579 1.00 0.00 H new ATOM 0 HG11 VAL C 25 1.988 -0.488 10.917 1.00 0.00 H new ATOM 0 HG12 VAL C 25 0.615 -0.895 9.860 1.00 0.00 H new ATOM 0 HG13 VAL C 25 0.430 0.347 11.122 1.00 0.00 H new ATOM 0 HG21 VAL C 25 2.046 -1.164 13.225 1.00 0.00 H new ATOM 0 HG22 VAL C 25 0.494 -0.363 13.568 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.713 -2.085 13.962 1.00 0.00 H new ATOM 2030 N SER C 26 -1.270 -3.917 13.138 1.00 0.00 N ATOM 2031 CA SER C 26 -1.527 -4.740 14.315 1.00 0.00 C ATOM 2032 C SER C 26 -0.564 -5.919 14.272 1.00 0.00 C ATOM 2033 O SER C 26 -0.656 -6.768 13.385 1.00 0.00 O ATOM 2034 CB SER C 26 -2.983 -5.210 14.320 1.00 0.00 C ATOM 2035 OG SER C 26 -3.311 -5.869 13.118 1.00 0.00 O ATOM 0 H SER C 26 -0.882 -4.437 12.351 1.00 0.00 H new ATOM 0 HA SER C 26 -1.369 -4.170 15.231 1.00 0.00 H new ATOM 0 HB2 SER C 26 -3.148 -5.882 15.163 1.00 0.00 H new ATOM 0 HB3 SER C 26 -3.643 -4.354 14.460 1.00 0.00 H new ATOM 0 HG SER C 26 -4.246 -6.160 13.149 1.00 0.00 H new ATOM 2041 N GLY C 27 0.363 -5.978 15.230 1.00 0.00 N ATOM 2042 CA GLY C 27 1.437 -6.959 15.208 1.00 0.00 C ATOM 2043 C GLY C 27 2.328 -6.691 14.008 1.00 0.00 C ATOM 2044 O GLY C 27 3.166 -5.791 14.054 1.00 0.00 O ATOM 0 H GLY C 27 0.387 -5.351 16.034 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.018 -6.902 16.128 1.00 0.00 H new ATOM 0 HA3 GLY C 27 1.025 -7.967 15.153 1.00 0.00 H new ATOM 2048 N GLN C 28 2.144 -7.466 12.936 1.00 0.00 N ATOM 2049 CA GLN C 28 2.848 -7.257 11.681 1.00 0.00 C ATOM 2050 C GLN C 28 1.856 -7.124 10.529 1.00 0.00 C ATOM 2051 O GLN C 28 2.267 -6.934 9.386 1.00 0.00 O ATOM 2052 CB GLN C 28 3.813 -8.409 11.398 1.00 0.00 C ATOM 2053 CG GLN C 28 4.990 -8.485 12.370 1.00 0.00 C ATOM 2054 CD GLN C 28 5.935 -7.290 12.258 1.00 0.00 C ATOM 2055 OE1 GLN C 28 7.036 -7.415 11.728 1.00 0.00 O ATOM 2056 NE2 GLN C 28 5.527 -6.123 12.749 1.00 0.00 N ATOM 0 H GLN C 28 1.500 -8.257 12.920 1.00 0.00 H new ATOM 0 HA GLN C 28 3.421 -6.334 11.769 1.00 0.00 H new ATOM 0 HB2 GLN C 28 3.262 -9.349 11.436 1.00 0.00 H new ATOM 0 HB3 GLN C 28 4.198 -8.306 10.384 1.00 0.00 H new ATOM 0 HG2 GLN C 28 4.609 -8.545 13.389 1.00 0.00 H new ATOM 0 HG3 GLN C 28 5.549 -9.402 12.184 1.00 0.00 H new ATOM 0 HE21 GLN C 28 4.608 -6.046 13.184 1.00 0.00 H new ATOM 0 HE22 GLN C 28 6.133 -5.305 12.690 1.00 0.00 H new ATOM 2065 N GLN C 29 0.555 -7.223 10.817 1.00 0.00 N ATOM 2066 CA GLN C 29 -0.473 -6.970 9.828 1.00 0.00 C ATOM 2067 C GLN C 29 -0.551 -5.471 9.600 1.00 0.00 C ATOM 2068 O GLN C 29 -0.191 -4.687 10.475 1.00 0.00 O ATOM 2069 CB GLN C 29 -1.824 -7.475 10.331 1.00 0.00 C ATOM 2070 CG GLN C 29 -1.876 -8.997 10.298 1.00 0.00 C ATOM 2071 CD GLN C 29 -3.054 -9.541 11.081 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -4.158 -8.800 11.114 1.00 0.00 O flip ATOM 2073 NE2 GLN C 29 -2.969 -10.625 11.645 1.00 0.00 N flip ATOM 0 H GLN C 29 0.196 -7.479 11.737 1.00 0.00 H new ATOM 0 HA GLN C 29 -0.230 -7.489 8.901 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -1.994 -7.122 11.348 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -2.624 -7.065 9.714 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -1.941 -9.335 9.264 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -0.950 -9.401 10.708 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -2.102 -11.160 11.593 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -3.765 -10.992 12.166 1.00 0.00 H new ATOM 2082 N VAL C 30 -1.026 -5.075 8.419 1.00 0.00 N ATOM 2083 CA VAL C 30 -1.180 -3.681 8.075 1.00 0.00 C ATOM 2084 C VAL C 30 -2.462 -3.534 7.272 1.00 0.00 C ATOM 2085 O VAL C 30 -2.588 -4.140 6.207 1.00 0.00 O ATOM 2086 CB VAL C 30 0.022 -3.232 7.239 1.00 0.00 C ATOM 2087 CG1 VAL C 30 -0.095 -1.748 6.918 1.00 0.00 C ATOM 2088 CG2 VAL C 30 1.340 -3.452 7.986 1.00 0.00 C ATOM 0 H VAL C 30 -1.312 -5.719 7.682 1.00 0.00 H new ATOM 0 HA VAL C 30 -1.232 -3.064 8.972 1.00 0.00 H new ATOM 0 HB VAL C 30 0.023 -3.828 6.326 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.763 -1.436 6.323 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -1.011 -1.569 6.355 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.121 -1.176 7.846 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.171 -3.122 7.363 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.333 -2.879 8.913 1.00 0.00 H new ATOM 0 HG23 VAL C 30 1.456 -4.511 8.215 1.00 0.00 H new ATOM 2098 N ARG C 31 -3.409 -2.736 7.772 1.00 0.00 N ATOM 2099 CA ARG C 31 -4.581 -2.376 6.995 1.00 0.00 C ATOM 2100 C ARG C 31 -4.160 -1.281 6.033 1.00 0.00 C ATOM 2101 O ARG C 31 -3.738 -0.205 6.460 1.00 0.00 O ATOM 2102 CB ARG C 31 -5.717 -1.841 7.868 1.00 0.00 C ATOM 2103 CG ARG C 31 -6.560 -2.948 8.496 1.00 0.00 C ATOM 2104 CD ARG C 31 -7.841 -2.311 9.049 1.00 0.00 C ATOM 2105 NE ARG C 31 -8.700 -3.299 9.714 1.00 0.00 N ATOM 2106 CZ ARG C 31 -8.460 -3.810 10.926 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -7.416 -3.410 11.650 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -9.277 -4.733 11.426 1.00 0.00 N ATOM 0 H ARG C 31 -3.381 -2.332 8.708 1.00 0.00 H new ATOM 0 HA ARG C 31 -4.951 -3.266 6.485 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -5.298 -1.219 8.659 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.360 -1.200 7.265 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.802 -3.710 7.755 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -6.006 -3.444 9.293 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -7.579 -1.523 9.756 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -8.392 -1.839 8.236 1.00 0.00 H new ATOM 0 HE ARG C 31 -9.534 -3.616 9.219 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -6.782 -2.701 11.282 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -7.251 -3.813 12.573 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -10.082 -5.048 10.885 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -9.098 -5.126 12.350 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.279 -1.572 4.741 1.00 0.00 N ATOM 2123 CA ILE C 32 -3.917 -0.648 3.686 1.00 0.00 C ATOM 2124 C ILE C 32 -5.159 -0.419 2.839 1.00 0.00 C ATOM 2125 O ILE C 32 -5.699 -1.363 2.263 1.00 0.00 O ATOM 2126 CB ILE C 32 -2.771 -1.226 2.837 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -1.645 -1.761 3.733 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -2.258 -0.127 1.899 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -0.445 -2.261 2.927 1.00 0.00 C ATOM 0 H ILE C 32 -4.633 -2.466 4.400 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.565 0.296 4.102 1.00 0.00 H new ATOM 0 HB ILE C 32 -3.136 -2.066 2.246 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.320 -0.973 4.412 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -2.030 -2.574 4.349 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -1.444 -0.520 1.289 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.069 0.206 1.251 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.895 0.715 2.489 1.00 0.00 H new ATOM 0 HD11 ILE C 32 0.323 -2.629 3.608 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -0.761 -3.068 2.267 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -0.040 -1.443 2.331 1.00 0.00 H new ATOM 2141 N GLY C 33 -5.607 0.833 2.769 1.00 0.00 N ATOM 2142 CA GLY C 33 -6.764 1.195 1.977 1.00 0.00 C ATOM 2143 C GLY C 33 -6.300 1.713 0.624 1.00 0.00 C ATOM 2144 O GLY C 33 -5.199 2.250 0.502 1.00 0.00 O ATOM 0 H GLY C 33 -5.176 1.616 3.260 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -7.415 0.331 1.845 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -7.348 1.958 2.492 1.00 0.00 H new ATOM 2148 N ILE C 34 -7.146 1.545 -0.394 1.00 0.00 N ATOM 2149 CA ILE C 34 -6.826 1.979 -1.741 1.00 0.00 C ATOM 2150 C ILE C 34 -8.057 2.665 -2.315 1.00 0.00 C ATOM 2151 O ILE C 34 -9.185 2.267 -2.030 1.00 0.00 O ATOM 2152 CB ILE C 34 -6.405 0.769 -2.584 1.00 0.00 C ATOM 2153 CG1 ILE C 34 -5.223 0.061 -1.905 1.00 0.00 C ATOM 2154 CG2 ILE C 34 -6.054 1.242 -4.002 1.00 0.00 C ATOM 2155 CD1 ILE C 34 -4.778 -1.197 -2.651 1.00 0.00 C ATOM 0 H ILE C 34 -8.063 1.107 -0.302 1.00 0.00 H new ATOM 0 HA ILE C 34 -5.993 2.682 -1.743 1.00 0.00 H new ATOM 0 HB ILE C 34 -7.222 0.051 -2.661 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -4.383 0.752 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -5.502 -0.206 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -5.754 0.387 -4.607 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -6.925 1.718 -4.453 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -5.234 1.958 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -3.940 -1.655 -2.125 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.606 -1.904 -2.699 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -4.470 -0.931 -3.662 1.00 0.00 H new ATOM 2167 N ASN C 35 -7.838 3.696 -3.127 1.00 0.00 N ATOM 2168 CA ASN C 35 -8.917 4.467 -3.713 1.00 0.00 C ATOM 2169 C ASN C 35 -8.604 4.697 -5.183 1.00 0.00 C ATOM 2170 O ASN C 35 -7.760 5.520 -5.534 1.00 0.00 O ATOM 2171 CB ASN C 35 -9.073 5.775 -2.937 1.00 0.00 C ATOM 2172 CG ASN C 35 -10.295 6.567 -3.385 1.00 0.00 C ATOM 2173 OD1 ASN C 35 -11.047 6.139 -4.253 1.00 0.00 O ATOM 2174 ND2 ASN C 35 -10.500 7.741 -2.790 1.00 0.00 N ATOM 0 H ASN C 35 -6.907 4.016 -3.393 1.00 0.00 H new ATOM 0 HA ASN C 35 -9.866 3.935 -3.651 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -9.154 5.556 -1.872 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.179 6.384 -3.070 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.302 8.313 -3.053 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -9.855 8.068 -2.071 1.00 0.00 H new ATOM 2181 N ALA C 36 -9.307 3.950 -6.037 1.00 0.00 N ATOM 2182 CA ALA C 36 -9.137 4.004 -7.475 1.00 0.00 C ATOM 2183 C ALA C 36 -10.492 3.760 -8.139 1.00 0.00 C ATOM 2184 O ALA C 36 -11.359 3.124 -7.536 1.00 0.00 O ATOM 2185 CB ALA C 36 -8.125 2.926 -7.874 1.00 0.00 C ATOM 0 H ALA C 36 -10.018 3.284 -5.736 1.00 0.00 H new ATOM 0 HA ALA C 36 -8.766 4.977 -7.796 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -7.979 2.946 -8.954 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -7.175 3.117 -7.376 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -8.500 1.947 -7.577 1.00 0.00 H new ATOM 2191 N PRO C 37 -10.690 4.253 -9.369 1.00 0.00 N ATOM 2192 CA PRO C 37 -11.906 4.015 -10.128 1.00 0.00 C ATOM 2193 C PRO C 37 -11.962 2.562 -10.588 1.00 0.00 C ATOM 2194 O PRO C 37 -10.929 1.926 -10.783 1.00 0.00 O ATOM 2195 CB PRO C 37 -11.811 4.962 -11.327 1.00 0.00 C ATOM 2196 CG PRO C 37 -10.307 5.144 -11.530 1.00 0.00 C ATOM 2197 CD PRO C 37 -9.754 5.073 -10.111 1.00 0.00 C ATOM 0 HA PRO C 37 -12.807 4.193 -9.540 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -12.285 4.536 -12.211 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -12.305 5.912 -11.126 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -9.889 4.363 -12.165 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -10.077 6.098 -12.005 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -8.756 4.635 -10.101 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -9.671 6.067 -9.672 1.00 0.00 H new ATOM 2205 N LYS C 38 -13.174 2.029 -10.767 1.00 0.00 N ATOM 2206 CA LYS C 38 -13.354 0.679 -11.291 1.00 0.00 C ATOM 2207 C LYS C 38 -12.866 0.596 -12.736 1.00 0.00 C ATOM 2208 O LYS C 38 -12.889 -0.475 -13.342 1.00 0.00 O ATOM 2209 CB LYS C 38 -14.827 0.267 -11.169 1.00 0.00 C ATOM 2210 CG LYS C 38 -15.275 0.162 -9.707 1.00 0.00 C ATOM 2211 CD LYS C 38 -14.579 -0.978 -8.950 1.00 0.00 C ATOM 2212 CE LYS C 38 -14.949 -2.359 -9.495 1.00 0.00 C ATOM 2213 NZ LYS C 38 -16.392 -2.630 -9.365 1.00 0.00 N ATOM 0 H LYS C 38 -14.045 2.516 -10.555 1.00 0.00 H new ATOM 0 HA LYS C 38 -12.756 -0.018 -10.704 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -15.451 0.995 -11.688 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -14.977 -0.692 -11.664 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -15.071 1.106 -9.201 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -16.354 0.009 -9.673 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -13.499 -0.844 -9.013 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -14.846 -0.925 -7.895 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -14.660 -2.425 -10.544 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -14.386 -3.124 -8.960 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -16.577 -3.633 -9.568 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -16.701 -2.411 -8.396 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -16.919 -2.038 -10.039 1.00 0.00 H new ATOM 2227 N ASP C 39 -12.416 1.728 -13.290 1.00 0.00 N ATOM 2228 CA ASP C 39 -11.781 1.804 -14.596 1.00 0.00 C ATOM 2229 C ASP C 39 -10.414 1.111 -14.581 1.00 0.00 C ATOM 2230 O ASP C 39 -9.821 0.887 -15.635 1.00 0.00 O ATOM 2231 CB ASP C 39 -11.617 3.280 -14.966 1.00 0.00 C ATOM 2232 CG ASP C 39 -11.211 3.452 -16.428 1.00 0.00 C ATOM 2233 OD1 ASP C 39 -11.992 3.012 -17.299 1.00 0.00 O ATOM 2234 OD2 ASP C 39 -10.123 4.025 -16.663 1.00 0.00 O ATOM 0 H ASP C 39 -12.488 2.633 -12.826 1.00 0.00 H new ATOM 0 HA ASP C 39 -12.403 1.295 -15.333 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -12.553 3.808 -14.783 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -10.864 3.735 -14.323 1.00 0.00 H new ATOM 2239 N VAL C 40 -9.914 0.772 -13.385 1.00 0.00 N ATOM 2240 CA VAL C 40 -8.631 0.102 -13.199 1.00 0.00 C ATOM 2241 C VAL C 40 -8.774 -0.978 -12.135 1.00 0.00 C ATOM 2242 O VAL C 40 -9.712 -0.950 -11.337 1.00 0.00 O ATOM 2243 CB VAL C 40 -7.535 1.111 -12.819 1.00 0.00 C ATOM 2244 CG1 VAL C 40 -7.449 2.240 -13.845 1.00 0.00 C ATOM 2245 CG2 VAL C 40 -7.767 1.731 -11.440 1.00 0.00 C ATOM 0 H VAL C 40 -10.402 0.961 -12.509 1.00 0.00 H new ATOM 0 HA VAL C 40 -8.332 -0.364 -14.138 1.00 0.00 H new ATOM 0 HB VAL C 40 -6.602 0.548 -12.799 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -6.666 2.939 -13.552 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -7.216 1.824 -14.825 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -8.404 2.763 -13.891 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -6.966 2.436 -11.219 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -8.723 2.254 -11.432 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -7.777 0.945 -10.685 1.00 0.00 H new ATOM 2255 N ALA C 41 -7.846 -1.936 -12.114 1.00 0.00 N ATOM 2256 CA ALA C 41 -7.929 -3.063 -11.203 1.00 0.00 C ATOM 2257 C ALA C 41 -7.011 -2.876 -9.997 1.00 0.00 C ATOM 2258 O ALA C 41 -6.034 -2.132 -10.061 1.00 0.00 O ATOM 2259 CB ALA C 41 -7.547 -4.333 -11.961 1.00 0.00 C ATOM 0 H ALA C 41 -7.028 -1.948 -12.723 1.00 0.00 H new ATOM 0 HA ALA C 41 -8.950 -3.139 -10.828 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -7.605 -5.189 -11.289 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -8.233 -4.479 -12.795 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -6.530 -4.238 -12.341 1.00 0.00 H new ATOM 2265 N VAL C 42 -7.331 -3.560 -8.894 1.00 0.00 N ATOM 2266 CA VAL C 42 -6.486 -3.598 -7.709 1.00 0.00 C ATOM 2267 C VAL C 42 -6.753 -4.897 -6.957 1.00 0.00 C ATOM 2268 O VAL C 42 -7.906 -5.268 -6.758 1.00 0.00 O ATOM 2269 CB VAL C 42 -6.751 -2.360 -6.838 1.00 0.00 C ATOM 2270 CG1 VAL C 42 -8.236 -2.118 -6.595 1.00 0.00 C ATOM 2271 CG2 VAL C 42 -6.071 -2.477 -5.478 1.00 0.00 C ATOM 0 H VAL C 42 -8.189 -4.104 -8.803 1.00 0.00 H new ATOM 0 HA VAL C 42 -5.433 -3.575 -7.988 1.00 0.00 H new ATOM 0 HB VAL C 42 -6.338 -1.522 -7.399 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -8.363 -1.231 -5.974 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -8.741 -1.969 -7.549 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -8.667 -2.981 -6.088 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -6.280 -1.584 -4.889 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -6.452 -3.354 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -4.994 -2.576 -5.617 1.00 0.00 H new ATOM 2281 N HIS C 43 -5.693 -5.596 -6.542 1.00 0.00 N ATOM 2282 CA HIS C 43 -5.813 -6.889 -5.879 1.00 0.00 C ATOM 2283 C HIS C 43 -4.568 -7.199 -5.060 1.00 0.00 C ATOM 2284 O HIS C 43 -3.545 -6.532 -5.199 1.00 0.00 O ATOM 2285 CB HIS C 43 -5.937 -8.000 -6.930 1.00 0.00 C ATOM 2286 CG HIS C 43 -7.038 -7.800 -7.931 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -8.376 -8.154 -7.743 1.00 0.00 N ATOM 2288 CD2 HIS C 43 -6.882 -7.250 -9.169 1.00 0.00 C ATOM 2289 CE1 HIS C 43 -8.993 -7.797 -8.880 1.00 0.00 C ATOM 2290 NE2 HIS C 43 -8.127 -7.256 -9.752 1.00 0.00 N ATOM 0 H HIS C 43 -4.731 -5.279 -6.658 1.00 0.00 H new ATOM 0 HA HIS C 43 -6.691 -6.845 -5.234 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -4.990 -8.083 -7.464 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -6.098 -8.949 -6.418 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -8.793 -8.589 -6.920 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -5.964 -6.883 -9.604 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -10.048 -7.928 -9.069 1.00 0.00 H new ATOM 2298 N ARG C 44 -4.646 -8.221 -4.204 1.00 0.00 N ATOM 2299 CA ARG C 44 -3.464 -8.751 -3.541 1.00 0.00 C ATOM 2300 C ARG C 44 -2.607 -9.459 -4.581 1.00 0.00 C ATOM 2301 O ARG C 44 -3.095 -9.824 -5.649 1.00 0.00 O ATOM 2302 CB ARG C 44 -3.888 -9.732 -2.451 1.00 0.00 C ATOM 2303 CG ARG C 44 -4.444 -8.979 -1.243 1.00 0.00 C ATOM 2304 CD ARG C 44 -5.134 -9.958 -0.300 1.00 0.00 C ATOM 2305 NE ARG C 44 -6.401 -10.412 -0.881 1.00 0.00 N ATOM 2306 CZ ARG C 44 -6.818 -11.676 -0.958 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -6.074 -12.686 -0.515 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -8.006 -11.937 -1.485 1.00 0.00 N ATOM 0 H ARG C 44 -5.516 -8.693 -3.958 1.00 0.00 H new ATOM 0 HA ARG C 44 -2.893 -7.945 -3.081 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -4.643 -10.415 -2.841 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -3.035 -10.339 -2.148 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -3.638 -8.463 -0.721 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -5.150 -8.216 -1.571 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -4.484 -10.813 -0.112 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -5.317 -9.480 0.662 1.00 0.00 H new ATOM 0 HE ARG C 44 -7.020 -9.696 -1.261 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -5.159 -12.503 -0.103 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -6.419 -13.643 -0.587 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -8.591 -11.174 -1.827 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -8.335 -12.900 -1.549 1.00 0.00 H new ATOM 2322 N GLU C 45 -1.327 -9.659 -4.276 1.00 0.00 N ATOM 2323 CA GLU C 45 -0.400 -10.291 -5.206 1.00 0.00 C ATOM 2324 C GLU C 45 -0.765 -11.761 -5.430 1.00 0.00 C ATOM 2325 O GLU C 45 -0.414 -12.343 -6.455 1.00 0.00 O ATOM 2326 CB GLU C 45 1.019 -10.106 -4.663 1.00 0.00 C ATOM 2327 CG GLU C 45 2.097 -10.599 -5.635 1.00 0.00 C ATOM 2328 CD GLU C 45 2.446 -12.081 -5.471 1.00 0.00 C ATOM 2329 OE1 GLU C 45 1.914 -12.723 -4.539 1.00 0.00 O ATOM 2330 OE2 GLU C 45 3.256 -12.566 -6.291 1.00 0.00 O ATOM 0 H GLU C 45 -0.908 -9.390 -3.386 1.00 0.00 H new ATOM 0 HA GLU C 45 -0.461 -9.821 -6.188 1.00 0.00 H new ATOM 0 HB2 GLU C 45 1.186 -9.051 -4.448 1.00 0.00 H new ATOM 0 HB3 GLU C 45 1.115 -10.643 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.758 -10.426 -6.657 1.00 0.00 H new ATOM 0 HG3 GLU C 45 3.000 -10.005 -5.493 1.00 0.00 H new ATOM 2337 N GLU C 46 -1.474 -12.370 -4.474 1.00 0.00 N ATOM 2338 CA GLU C 46 -1.912 -13.757 -4.575 1.00 0.00 C ATOM 2339 C GLU C 46 -3.217 -13.889 -5.371 1.00 0.00 C ATOM 2340 O GLU C 46 -3.668 -15.001 -5.634 1.00 0.00 O ATOM 2341 CB GLU C 46 -2.083 -14.328 -3.165 1.00 0.00 C ATOM 2342 CG GLU C 46 -3.239 -13.643 -2.431 1.00 0.00 C ATOM 2343 CD GLU C 46 -3.274 -14.025 -0.955 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -3.358 -15.241 -0.668 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -3.221 -13.091 -0.121 1.00 0.00 O ATOM 0 H GLU C 46 -1.758 -11.910 -3.609 1.00 0.00 H new ATOM 0 HA GLU C 46 -1.153 -14.322 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -2.269 -15.400 -3.223 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -1.160 -14.195 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -3.140 -12.562 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -4.183 -13.919 -2.901 1.00 0.00 H new ATOM 2352 N ILE C 47 -3.819 -12.757 -5.752 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.065 -12.717 -6.514 1.00 0.00 C ATOM 2354 C ILE C 47 -4.820 -12.099 -7.885 1.00 0.00 C ATOM 2355 O ILE C 47 -5.439 -12.514 -8.860 1.00 0.00 O ATOM 2356 CB ILE C 47 -6.110 -11.925 -5.721 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -6.558 -12.677 -4.464 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -7.330 -11.612 -6.587 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -7.074 -14.093 -4.743 1.00 0.00 C ATOM 0 H ILE C 47 -3.447 -11.832 -5.535 1.00 0.00 H new ATOM 0 HA ILE C 47 -5.440 -13.728 -6.671 1.00 0.00 H new ATOM 0 HB ILE C 47 -5.635 -10.993 -5.415 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -5.720 -12.736 -3.769 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.343 -12.105 -3.970 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -8.057 -11.049 -6.001 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -7.022 -11.020 -7.449 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -7.782 -12.543 -6.929 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.373 -14.563 -3.806 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -7.932 -14.042 -5.413 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.285 -14.683 -5.209 1.00 0.00 H new ATOM 2371 N TYR C 48 -3.922 -11.114 -7.976 1.00 0.00 N ATOM 2372 CA TYR C 48 -3.624 -10.460 -9.237 1.00 0.00 C ATOM 2373 C TYR C 48 -3.216 -11.475 -10.302 1.00 0.00 C ATOM 2374 O TYR C 48 -3.576 -11.326 -11.469 1.00 0.00 O ATOM 2375 CB TYR C 48 -2.498 -9.452 -9.021 1.00 0.00 C ATOM 2376 CG TYR C 48 -1.872 -8.985 -10.313 1.00 0.00 C ATOM 2377 CD1 TYR C 48 -2.672 -8.483 -11.351 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.483 -9.065 -10.475 1.00 0.00 C ATOM 2379 CE1 TYR C 48 -2.087 -8.085 -12.563 1.00 0.00 C ATOM 2380 CE2 TYR C 48 0.113 -8.660 -11.676 1.00 0.00 C ATOM 2381 CZ TYR C 48 -0.688 -8.168 -12.727 1.00 0.00 C ATOM 2382 OH TYR C 48 -0.109 -7.778 -13.897 1.00 0.00 O ATOM 0 H TYR C 48 -3.390 -10.756 -7.182 1.00 0.00 H new ATOM 0 HA TYR C 48 -4.521 -9.949 -9.588 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -2.888 -8.590 -8.480 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -1.730 -9.902 -8.393 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -3.741 -8.403 -11.217 1.00 0.00 H new ATOM 0 HD2 TYR C 48 0.131 -9.441 -9.670 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -2.706 -7.716 -13.368 1.00 0.00 H new ATOM 0 HE2 TYR C 48 1.184 -8.724 -11.797 1.00 0.00 H new ATOM 0 HH TYR C 48 -0.804 -7.495 -14.527 1.00 0.00 H new ATOM 2392 N GLN C 49 -2.467 -12.509 -9.909 1.00 0.00 N ATOM 2393 CA GLN C 49 -2.002 -13.524 -10.840 1.00 0.00 C ATOM 2394 C GLN C 49 -3.170 -14.323 -11.419 1.00 0.00 C ATOM 2395 O GLN C 49 -3.030 -14.938 -12.473 1.00 0.00 O ATOM 2396 CB GLN C 49 -1.043 -14.473 -10.117 1.00 0.00 C ATOM 2397 CG GLN C 49 0.177 -13.730 -9.566 1.00 0.00 C ATOM 2398 CD GLN C 49 1.087 -14.686 -8.805 1.00 0.00 C ATOM 2399 OE1 GLN C 49 1.698 -15.576 -9.393 1.00 0.00 O ATOM 2400 NE2 GLN C 49 1.185 -14.509 -7.493 1.00 0.00 N ATOM 0 H GLN C 49 -2.172 -12.660 -8.944 1.00 0.00 H new ATOM 0 HA GLN C 49 -1.489 -13.026 -11.663 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -1.568 -14.968 -9.300 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -0.715 -15.253 -10.804 1.00 0.00 H new ATOM 0 HG2 GLN C 49 0.729 -13.268 -10.385 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -0.148 -12.925 -8.906 1.00 0.00 H new ATOM 0 HE21 GLN C 49 0.663 -13.759 -7.039 1.00 0.00 H new ATOM 0 HE22 GLN C 49 1.782 -15.122 -6.939 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.320 -14.311 -10.739 1.00 0.00 N ATOM 2410 CA ARG C 50 -5.482 -15.081 -11.152 1.00 0.00 C ATOM 2411 C ARG C 50 -6.343 -14.307 -12.143 1.00 0.00 C ATOM 2412 O ARG C 50 -6.968 -14.915 -13.009 1.00 0.00 O ATOM 2413 CB ARG C 50 -6.282 -15.459 -9.903 1.00 0.00 C ATOM 2414 CG ARG C 50 -7.440 -16.377 -10.276 1.00 0.00 C ATOM 2415 CD ARG C 50 -8.188 -16.772 -9.007 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.447 -17.775 -8.236 1.00 0.00 N ATOM 2417 CZ ARG C 50 -7.995 -18.867 -7.690 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -9.294 -19.126 -7.821 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -7.236 -19.714 -7.000 1.00 0.00 N ATOM 0 H ARG C 50 -4.465 -13.766 -9.889 1.00 0.00 H new ATOM 0 HA ARG C 50 -5.153 -15.984 -11.666 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -5.632 -15.956 -9.183 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -6.663 -14.559 -9.420 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -8.113 -15.872 -10.968 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -7.067 -17.266 -10.786 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -8.354 -15.888 -8.391 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -9.170 -17.166 -9.270 1.00 0.00 H new ATOM 0 HE ARG C 50 -6.446 -17.631 -8.107 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -9.891 -18.487 -8.345 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -9.692 -19.964 -7.397 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -6.239 -19.530 -6.888 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -7.651 -20.547 -6.583 1.00 0.00 H new ATOM 2433 N ILE C 51 -6.382 -12.973 -12.034 1.00 0.00 N ATOM 2434 CA ILE C 51 -7.095 -12.151 -13.004 1.00 0.00 C ATOM 2435 C ILE C 51 -6.405 -12.285 -14.369 1.00 0.00 C ATOM 2436 O ILE C 51 -6.993 -11.972 -15.403 1.00 0.00 O ATOM 2437 CB ILE C 51 -7.188 -10.683 -12.541 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -8.173 -10.494 -11.372 1.00 0.00 C ATOM 2439 CG2 ILE C 51 -7.730 -9.789 -13.661 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -7.661 -11.077 -10.057 1.00 0.00 C ATOM 0 H ILE C 51 -5.929 -12.448 -11.286 1.00 0.00 H new ATOM 0 HA ILE C 51 -8.123 -12.503 -13.094 1.00 0.00 H new ATOM 0 HB ILE C 51 -6.174 -10.416 -12.245 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -8.370 -9.430 -11.239 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -9.123 -10.964 -11.626 1.00 0.00 H new ATOM 0 HG21 ILE C 51 -7.786 -8.759 -13.309 1.00 0.00 H new ATOM 0 HG22 ILE C 51 -7.065 -9.842 -14.523 1.00 0.00 H new ATOM 0 HG23 ILE C 51 -8.725 -10.129 -13.948 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -8.400 -10.911 -9.273 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -7.491 -12.147 -10.175 1.00 0.00 H new ATOM 0 HD13 ILE C 51 -6.726 -10.589 -9.782 1.00 0.00 H new