USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 391 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN : amide:sc= 0.321 K(o=0.67,f=-1.4!) USER MOD Set 1.2: A 19 TYR OH : rot -1:sc= 0.346 USER MOD Set 2.1: A 12 SER OG : rot -76:sc= 0.013 USER MOD Set 2.2: A 15 GLN : amide:sc= 0.686 K(o=0.7,f=-2.8!) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0994 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -45:sc= 0.141 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : B 4 GLN : amide:sc= -0.0721 K(o=-0.072,f=-1.9!) USER MOD Single : B 5 HIS : no HE2:sc= 0.372 K(o=0.37,f=-3.6!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.089) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -93:sc= 0.242 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.461 -0.594 -0.510 1.00 25.00 N ATOM 2 CA GLY A 1 3.627 -1.257 -1.796 1.00 25.00 C ATOM 3 C GLY A 1 2.718 -0.816 -2.942 1.00 25.00 C ATOM 4 O GLY A 1 1.707 -0.174 -2.787 1.00 25.00 O ATOM 0 H1 GLY A 1 4.393 -0.440 -0.076 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.989 0.322 -0.650 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.882 -1.190 0.116 1.00 25.00 H new ATOM 0 HA2 GLY A 1 4.660 -1.118 -2.114 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.481 -2.326 -1.644 1.00 25.00 H new ATOM 9 N ILE A 2 3.110 -1.276 -4.157 1.00 25.00 N ATOM 10 CA ILE A 2 2.352 -0.934 -5.365 1.00 25.00 C ATOM 11 C ILE A 2 0.913 -1.438 -5.235 1.00 25.00 C ATOM 12 O ILE A 2 -0.003 -0.719 -5.571 1.00 25.00 O ATOM 13 CB ILE A 2 2.994 -1.582 -6.661 1.00 25.00 C ATOM 14 CG1 ILE A 2 4.511 -1.348 -6.759 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.360 -1.050 -7.928 1.00 25.00 C ATOM 16 CD1 ILE A 2 5.407 -2.561 -6.355 1.00 25.00 C ATOM 0 H ILE A 2 3.925 -1.868 -4.315 1.00 25.00 H new ATOM 0 HA ILE A 2 2.373 0.151 -5.467 1.00 25.00 H new ATOM 0 HB ILE A 2 2.804 -2.651 -6.564 1.00 25.00 H new ATOM 0 HG12 ILE A 2 4.752 -1.067 -7.784 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.772 -0.500 -6.126 1.00 25.00 H new ATOM 0 HG21 ILE A 2 2.828 -1.519 -8.794 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.294 -1.277 -7.924 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.501 0.030 -7.980 1.00 25.00 H new ATOM 0 HD11 ILE A 2 6.457 -2.289 -6.461 1.00 25.00 H new ATOM 0 HD12 ILE A 2 5.205 -2.833 -5.319 1.00 25.00 H new ATOM 0 HD13 ILE A 2 5.185 -3.409 -7.003 1.00 25.00 H new ATOM 28 N VAL A 3 0.728 -2.662 -4.745 1.00 25.00 N ATOM 29 CA VAL A 3 -0.612 -3.257 -4.699 1.00 25.00 C ATOM 30 C VAL A 3 -1.545 -2.412 -3.864 1.00 25.00 C ATOM 31 O VAL A 3 -2.609 -2.020 -4.321 1.00 25.00 O ATOM 32 CB VAL A 3 -0.590 -4.680 -4.096 1.00 25.00 C ATOM 33 CG1 VAL A 3 -2.027 -5.291 -4.046 1.00 25.00 C ATOM 34 CG2 VAL A 3 0.333 -5.598 -4.901 1.00 25.00 C ATOM 0 H VAL A 3 1.473 -3.255 -4.379 1.00 25.00 H new ATOM 0 HA VAL A 3 -0.963 -3.307 -5.730 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.209 -4.599 -3.078 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -1.982 -6.292 -3.617 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -2.669 -4.661 -3.430 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -2.434 -5.346 -5.056 1.00 25.00 H new ATOM 0 HG21 VAL A 3 0.332 -6.594 -4.458 1.00 25.00 H new ATOM 0 HG22 VAL A 3 -0.021 -5.658 -5.930 1.00 25.00 H new ATOM 0 HG23 VAL A 3 1.346 -5.196 -4.889 1.00 25.00 H new ATOM 44 N GLU A 4 -1.097 -2.040 -2.680 1.00 25.00 N ATOM 45 CA GLU A 4 -1.859 -1.209 -1.771 1.00 25.00 C ATOM 46 C GLU A 4 -2.100 0.164 -2.345 1.00 25.00 C ATOM 47 O GLU A 4 -3.274 0.645 -2.313 1.00 25.00 O ATOM 48 CB GLU A 4 -1.065 -1.047 -0.444 1.00 25.00 C ATOM 49 CG GLU A 4 -0.727 -2.339 0.266 1.00 25.00 C ATOM 50 CD GLU A 4 0.682 -2.750 0.029 1.00 25.00 C ATOM 51 OE1 GLU A 4 1.090 -3.069 -1.045 1.00 25.00 O ATOM 52 OE2 GLU A 4 1.448 -2.613 1.061 1.00 25.00 O ATOM 0 H GLU A 4 -0.182 -2.310 -2.319 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.821 -1.693 -1.601 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.138 -0.515 -0.657 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.645 -0.420 0.233 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -0.895 -2.220 1.336 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -1.398 -3.127 -0.076 1.00 25.00 H new ATOM 60 N GLN A 5 -1.088 0.793 -2.952 1.00 25.00 N ATOM 61 CA GLN A 5 -1.301 2.124 -3.507 1.00 25.00 C ATOM 62 C GLN A 5 -2.264 2.051 -4.700 1.00 25.00 C ATOM 63 O GLN A 5 -3.156 2.893 -4.815 1.00 25.00 O ATOM 64 CB GLN A 5 0.038 2.732 -3.949 1.00 25.00 C ATOM 65 CG GLN A 5 -0.067 4.246 -4.373 1.00 25.00 C ATOM 66 CD GLN A 5 1.308 4.882 -4.537 1.00 25.00 C ATOM 67 OE1 GLN A 5 2.308 4.229 -4.347 1.00 25.00 O ATOM 68 NE2 GLN A 5 1.377 6.131 -4.854 1.00 25.00 N ATOM 0 H GLN A 5 -0.148 0.415 -3.067 1.00 25.00 H new ATOM 0 HA GLN A 5 -1.740 2.759 -2.738 1.00 25.00 H new ATOM 0 HB2 GLN A 5 0.756 2.640 -3.134 1.00 25.00 H new ATOM 0 HB3 GLN A 5 0.431 2.155 -4.786 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -0.618 4.324 -5.310 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -0.635 4.796 -3.622 1.00 25.00 H new ATOM 0 HE21 GLN A 5 0.522 6.665 -5.010 1.00 25.00 H new ATOM 0 HE22 GLN A 5 2.286 6.584 -4.948 1.00 25.00 H new ATOM 77 N CYS A 6 -2.153 1.058 -5.575 1.00 25.00 N ATOM 78 CA CYS A 6 -3.067 1.018 -6.728 1.00 25.00 C ATOM 79 C CYS A 6 -4.443 0.424 -6.359 1.00 25.00 C ATOM 80 O CYS A 6 -5.405 0.610 -7.096 1.00 25.00 O ATOM 81 CB CYS A 6 -2.433 0.196 -7.863 1.00 25.00 C ATOM 82 SG CYS A 6 -1.001 1.040 -8.581 1.00 25.00 S ATOM 0 H CYS A 6 -1.474 0.298 -5.522 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.230 2.045 -7.055 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -2.127 -0.778 -7.480 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -3.176 0.014 -8.640 1.00 25.00 H new ATOM 87 N CYS A 7 -4.578 -0.115 -5.194 1.00 25.00 N ATOM 88 CA CYS A 7 -5.884 -0.518 -4.700 1.00 25.00 C ATOM 89 C CYS A 7 -6.669 0.728 -4.362 1.00 25.00 C ATOM 90 O CYS A 7 -7.852 0.821 -4.624 1.00 25.00 O ATOM 91 CB CYS A 7 -5.701 -1.447 -3.467 1.00 25.00 C ATOM 92 SG CYS A 7 -7.204 -2.427 -3.039 1.00 25.00 S ATOM 0 H CYS A 7 -3.806 -0.294 -4.552 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.437 -1.079 -5.453 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -4.876 -2.132 -3.660 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -5.418 -0.841 -2.607 1.00 25.00 H new ATOM 97 N THR A 8 -5.979 1.713 -3.840 1.00 25.00 N ATOM 98 CA THR A 8 -6.603 2.936 -3.343 1.00 25.00 C ATOM 99 C THR A 8 -6.481 4.153 -4.268 1.00 25.00 C ATOM 100 O THR A 8 -7.046 5.244 -3.972 1.00 25.00 O ATOM 101 CB THR A 8 -6.065 3.281 -1.916 1.00 25.00 C ATOM 102 OG1 THR A 8 -6.992 4.105 -1.235 1.00 25.00 O ATOM 103 CG2 THR A 8 -4.734 3.976 -1.935 1.00 25.00 C ATOM 0 H THR A 8 -4.964 1.698 -3.743 1.00 25.00 H new ATOM 0 HA THR A 8 -7.670 2.715 -3.304 1.00 25.00 H new ATOM 0 HB THR A 8 -5.935 2.328 -1.403 1.00 25.00 H new ATOM 0 HG1 THR A 8 -7.304 4.813 -1.836 1.00 25.00 H new ATOM 0 HG21 THR A 8 -4.419 4.186 -0.913 1.00 25.00 H new ATOM 0 HG22 THR A 8 -3.996 3.335 -2.418 1.00 25.00 H new ATOM 0 HG23 THR A 8 -4.820 4.911 -2.488 1.00 25.00 H new ATOM 111 N SER A 9 -5.821 3.953 -5.409 1.00 25.00 N ATOM 112 CA SER A 9 -5.597 5.039 -6.372 1.00 25.00 C ATOM 113 C SER A 9 -5.609 4.483 -7.810 1.00 25.00 C ATOM 114 O SER A 9 -5.374 3.291 -8.016 1.00 25.00 O ATOM 115 CB SER A 9 -4.222 5.656 -6.120 1.00 25.00 C ATOM 116 OG SER A 9 -4.030 6.828 -6.897 1.00 25.00 O ATOM 0 H SER A 9 -5.432 3.053 -5.691 1.00 25.00 H new ATOM 0 HA SER A 9 -6.386 5.782 -6.252 1.00 25.00 H new ATOM 0 HB2 SER A 9 -4.118 5.898 -5.062 1.00 25.00 H new ATOM 0 HB3 SER A 9 -3.446 4.929 -6.358 1.00 25.00 H new ATOM 0 HG SER A 9 -3.143 7.201 -6.713 1.00 25.00 H new ATOM 122 N ILE A 10 -5.872 5.344 -8.757 1.00 25.00 N ATOM 123 CA ILE A 10 -5.890 4.969 -10.171 1.00 25.00 C ATOM 124 C ILE A 10 -4.445 4.728 -10.605 1.00 25.00 C ATOM 125 O ILE A 10 -3.565 5.537 -10.185 1.00 25.00 O ATOM 126 CB ILE A 10 -6.552 6.068 -11.017 1.00 25.00 C ATOM 127 CG1 ILE A 10 -8.041 6.099 -10.650 1.00 25.00 C ATOM 128 CG2 ILE A 10 -6.340 5.833 -12.522 1.00 25.00 C ATOM 129 CD1 ILE A 10 -8.497 7.448 -10.094 1.00 25.00 C ATOM 0 H ILE A 10 -6.081 6.327 -8.584 1.00 25.00 H new ATOM 0 HA ILE A 10 -6.477 4.063 -10.318 1.00 25.00 H new ATOM 0 HB ILE A 10 -6.094 7.033 -10.802 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -8.631 5.860 -11.534 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -8.243 5.322 -9.912 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -6.823 6.631 -13.086 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -5.273 5.827 -12.743 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -6.774 4.874 -12.805 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -9.559 7.403 -9.855 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -7.931 7.680 -9.192 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -8.326 8.225 -10.839 1.00 25.00 H new ATOM 141 N CYS A 11 -4.174 3.683 -11.388 1.00 25.00 N ATOM 142 CA CYS A 11 -2.848 3.428 -11.894 1.00 25.00 C ATOM 143 C CYS A 11 -2.882 3.103 -13.349 1.00 25.00 C ATOM 144 O CYS A 11 -2.861 1.950 -13.757 1.00 25.00 O ATOM 145 CB CYS A 11 -2.263 2.302 -11.069 1.00 25.00 C ATOM 146 SG CYS A 11 -1.686 2.757 -9.402 1.00 25.00 S ATOM 0 H CYS A 11 -4.872 2.999 -11.681 1.00 25.00 H new ATOM 0 HA CYS A 11 -2.220 4.315 -11.804 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.016 1.520 -10.971 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -1.425 1.872 -11.618 1.00 25.00 H new ATOM 151 N SER A 12 -2.778 4.147 -14.153 1.00 25.00 N ATOM 152 CA SER A 12 -2.622 3.990 -15.584 1.00 25.00 C ATOM 153 C SER A 12 -1.273 3.424 -15.880 1.00 25.00 C ATOM 154 O SER A 12 -0.350 3.583 -15.117 1.00 25.00 O ATOM 155 CB SER A 12 -2.721 5.380 -16.253 1.00 25.00 C ATOM 156 OG SER A 12 -1.585 6.137 -15.963 1.00 25.00 O ATOM 0 H SER A 12 -2.799 5.116 -13.835 1.00 25.00 H new ATOM 0 HA SER A 12 -3.398 3.324 -15.962 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.825 5.266 -17.332 1.00 25.00 H new ATOM 0 HB3 SER A 12 -3.612 5.899 -15.900 1.00 25.00 H new ATOM 0 HG SER A 12 -1.639 6.469 -15.043 1.00 25.00 H new ATOM 162 N LEU A 13 -1.037 2.879 -17.086 1.00 25.00 N ATOM 163 CA LEU A 13 0.289 2.479 -17.536 1.00 25.00 C ATOM 164 C LEU A 13 1.331 3.586 -17.409 1.00 25.00 C ATOM 165 O LEU A 13 2.587 3.258 -17.220 1.00 25.00 O ATOM 166 CB LEU A 13 0.270 2.067 -19.029 1.00 25.00 C ATOM 167 CG LEU A 13 -0.697 0.859 -19.336 1.00 25.00 C ATOM 168 CD1 LEU A 13 -0.938 0.794 -20.788 1.00 25.00 C ATOM 169 CD2 LEU A 13 -0.107 -0.469 -18.822 1.00 25.00 C ATOM 0 H LEU A 13 -1.771 2.707 -17.773 1.00 25.00 H new ATOM 0 HA LEU A 13 0.561 1.646 -16.888 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -0.031 2.925 -19.631 1.00 25.00 H new ATOM 0 HB3 LEU A 13 1.281 1.800 -19.337 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.642 1.018 -18.817 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -1.606 -0.039 -21.009 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.396 1.725 -21.123 1.00 25.00 H new ATOM 0 HD13 LEU A 13 0.009 0.648 -21.308 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -0.795 -1.284 -19.047 1.00 25.00 H new ATOM 0 HD22 LEU A 13 0.849 -0.656 -19.311 1.00 25.00 H new ATOM 0 HD23 LEU A 13 0.042 -0.408 -17.744 1.00 25.00 H new ATOM 181 N TYR A 14 0.977 4.913 -17.482 1.00 25.00 N ATOM 182 CA TYR A 14 1.946 6.043 -17.291 1.00 25.00 C ATOM 183 C TYR A 14 2.505 6.065 -15.895 1.00 25.00 C ATOM 184 O TYR A 14 3.688 6.220 -15.643 1.00 25.00 O ATOM 185 CB TYR A 14 1.306 7.411 -17.690 1.00 25.00 C ATOM 186 CG TYR A 14 2.343 8.519 -17.586 1.00 25.00 C ATOM 187 CD1 TYR A 14 3.205 8.707 -18.647 1.00 25.00 C ATOM 188 CD2 TYR A 14 2.441 9.275 -16.444 1.00 25.00 C ATOM 189 CE1 TYR A 14 4.323 9.711 -18.615 1.00 25.00 C ATOM 190 CE2 TYR A 14 3.382 10.222 -16.339 1.00 25.00 C ATOM 191 CZ TYR A 14 4.288 10.493 -17.287 1.00 25.00 C ATOM 192 OH TYR A 14 5.176 11.483 -17.140 1.00 25.00 O ATOM 0 H TYR A 14 0.024 5.223 -17.672 1.00 25.00 H new ATOM 0 HA TYR A 14 2.788 5.874 -17.963 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.919 7.358 -18.708 1.00 25.00 H new ATOM 0 HB3 TYR A 14 0.460 7.630 -17.038 1.00 25.00 H new ATOM 0 HD1 TYR A 14 3.071 8.109 -19.536 1.00 25.00 H new ATOM 0 HD2 TYR A 14 1.756 9.105 -15.627 1.00 25.00 H new ATOM 0 HE1 TYR A 14 5.044 9.862 -19.405 1.00 25.00 H new ATOM 0 HE2 TYR A 14 3.412 10.805 -15.430 1.00 25.00 H new ATOM 0 HH TYR A 14 5.056 11.903 -16.263 1.00 25.00 H new ATOM 202 N GLN A 15 1.574 5.838 -14.924 1.00 25.00 N ATOM 203 CA GLN A 15 1.916 5.750 -13.516 1.00 25.00 C ATOM 204 C GLN A 15 2.643 4.476 -13.172 1.00 25.00 C ATOM 205 O GLN A 15 3.637 4.487 -12.434 1.00 25.00 O ATOM 206 CB GLN A 15 0.637 5.815 -12.648 1.00 25.00 C ATOM 207 CG GLN A 15 -0.089 7.173 -12.729 1.00 25.00 C ATOM 208 CD GLN A 15 -1.481 7.125 -12.167 1.00 25.00 C ATOM 209 OE1 GLN A 15 -2.415 6.754 -12.841 1.00 25.00 O ATOM 210 NE2 GLN A 15 -1.622 7.477 -10.924 1.00 25.00 N ATOM 0 H GLN A 15 0.580 5.715 -15.117 1.00 25.00 H new ATOM 0 HA GLN A 15 2.575 6.594 -13.311 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -0.047 5.026 -12.962 1.00 25.00 H new ATOM 0 HB3 GLN A 15 0.901 5.614 -11.610 1.00 25.00 H new ATOM 0 HG2 GLN A 15 0.490 7.922 -12.189 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -0.133 7.494 -13.770 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -0.812 7.785 -10.386 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -2.543 7.446 -10.486 1.00 25.00 H new ATOM 219 N LEU A 16 2.189 3.354 -13.748 1.00 25.00 N ATOM 220 CA LEU A 16 2.851 2.077 -13.524 1.00 25.00 C ATOM 221 C LEU A 16 4.314 2.052 -13.965 1.00 25.00 C ATOM 222 O LEU A 16 5.159 1.379 -13.357 1.00 25.00 O ATOM 223 CB LEU A 16 2.056 0.941 -14.223 1.00 25.00 C ATOM 224 CG LEU A 16 0.701 0.547 -13.575 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.037 -0.593 -14.332 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.890 0.089 -12.112 1.00 25.00 C ATOM 0 H LEU A 16 1.377 3.312 -14.363 1.00 25.00 H new ATOM 0 HA LEU A 16 2.862 1.921 -12.445 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.867 1.240 -15.254 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.688 0.054 -14.259 1.00 25.00 H new ATOM 0 HG LEU A 16 0.095 1.451 -13.625 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -0.976 -0.818 -13.826 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.243 -0.277 -15.355 1.00 25.00 H new ATOM 0 HD13 LEU A 16 0.590 -1.485 -14.347 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.077 -0.180 -11.687 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.552 -0.777 -12.084 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.329 0.900 -11.531 1.00 25.00 H new ATOM 238 N GLU A 17 4.647 2.877 -14.955 1.00 25.00 N ATOM 239 CA GLU A 17 6.065 2.972 -15.381 1.00 25.00 C ATOM 240 C GLU A 17 7.028 3.370 -14.254 1.00 25.00 C ATOM 241 O GLU A 17 8.176 2.976 -14.214 1.00 25.00 O ATOM 242 CB GLU A 17 6.164 3.997 -16.520 1.00 25.00 C ATOM 243 CG GLU A 17 5.916 3.427 -17.932 1.00 25.00 C ATOM 244 CD GLU A 17 5.995 4.494 -18.991 1.00 25.00 C ATOM 245 OE1 GLU A 17 5.551 5.619 -18.847 1.00 25.00 O ATOM 246 OE2 GLU A 17 6.549 4.097 -20.085 1.00 25.00 O ATOM 0 H GLU A 17 3.995 3.472 -15.467 1.00 25.00 H new ATOM 0 HA GLU A 17 6.369 1.976 -15.704 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.444 4.795 -16.335 1.00 25.00 H new ATOM 0 HB3 GLU A 17 7.155 4.450 -16.496 1.00 25.00 H new ATOM 0 HG2 GLU A 17 6.651 2.650 -18.144 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.934 2.955 -17.965 1.00 25.00 H new ATOM 254 N ASN A 18 6.527 4.145 -13.274 1.00 25.00 N ATOM 255 CA ASN A 18 7.370 4.664 -12.217 1.00 25.00 C ATOM 256 C ASN A 18 7.873 3.534 -11.296 1.00 25.00 C ATOM 257 O ASN A 18 8.839 3.703 -10.555 1.00 25.00 O ATOM 258 CB ASN A 18 6.590 5.707 -11.377 1.00 25.00 C ATOM 259 CG ASN A 18 6.297 7.009 -12.148 1.00 25.00 C ATOM 260 OD1 ASN A 18 6.967 7.367 -13.115 1.00 25.00 O ATOM 261 ND2 ASN A 18 5.264 7.699 -11.718 1.00 25.00 N ATOM 0 H ASN A 18 5.546 4.416 -13.205 1.00 25.00 H new ATOM 0 HA ASN A 18 8.233 5.139 -12.682 1.00 25.00 H new ATOM 0 HB2 ASN A 18 5.649 5.268 -11.047 1.00 25.00 H new ATOM 0 HB3 ASN A 18 7.163 5.944 -10.480 1.00 25.00 H new ATOM 0 HD21 ASN A 18 4.995 8.562 -12.190 1.00 25.00 H new ATOM 0 HD22 ASN A 18 4.731 7.371 -10.912 1.00 25.00 H new ATOM 268 N TYR A 19 7.176 2.401 -11.307 1.00 25.00 N ATOM 269 CA TYR A 19 7.544 1.260 -10.497 1.00 25.00 C ATOM 270 C TYR A 19 8.489 0.341 -11.241 1.00 25.00 C ATOM 271 O TYR A 19 9.121 -0.525 -10.640 1.00 25.00 O ATOM 272 CB TYR A 19 6.314 0.469 -10.152 1.00 25.00 C ATOM 273 CG TYR A 19 5.273 1.274 -9.354 1.00 25.00 C ATOM 274 CD1 TYR A 19 5.488 1.545 -7.982 1.00 25.00 C ATOM 275 CD2 TYR A 19 4.092 1.719 -9.967 1.00 25.00 C ATOM 276 CE1 TYR A 19 4.507 2.270 -7.203 1.00 25.00 C ATOM 277 CE2 TYR A 19 3.138 2.420 -9.212 1.00 25.00 C ATOM 278 CZ TYR A 19 3.353 2.679 -7.859 1.00 25.00 C ATOM 279 OH TYR A 19 2.375 3.328 -7.146 1.00 25.00 O ATOM 0 H TYR A 19 6.344 2.255 -11.878 1.00 25.00 H new ATOM 0 HA TYR A 19 8.034 1.637 -9.599 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.855 0.106 -11.072 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.605 -0.408 -9.574 1.00 25.00 H new ATOM 0 HD1 TYR A 19 6.398 1.206 -7.509 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.918 1.523 -11.015 1.00 25.00 H new ATOM 0 HE1 TYR A 19 4.665 2.484 -6.156 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.229 2.762 -9.684 1.00 25.00 H new ATOM 0 HH TYR A 19 2.650 3.405 -6.209 1.00 25.00 H new ATOM 289 N CYS A 20 8.689 0.641 -12.517 1.00 25.00 N ATOM 290 CA CYS A 20 9.699 -0.055 -13.334 1.00 25.00 C ATOM 291 C CYS A 20 11.019 0.718 -13.369 1.00 25.00 C ATOM 292 O CYS A 20 11.855 0.507 -14.211 1.00 25.00 O ATOM 293 CB CYS A 20 9.217 -0.227 -14.765 1.00 25.00 C ATOM 294 SG CYS A 20 7.888 -1.453 -14.886 1.00 25.00 S ATOM 0 H CYS A 20 8.169 1.361 -13.018 1.00 25.00 H new ATOM 0 HA CYS A 20 9.857 -1.029 -12.872 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.864 0.731 -15.147 1.00 25.00 H new ATOM 0 HB3 CYS A 20 10.052 -0.533 -15.395 1.00 25.00 H new ATOM 299 N ASN A 21 11.160 1.721 -12.532 1.00 25.00 N ATOM 300 CA ASN A 21 12.380 2.570 -12.471 1.00 25.00 C ATOM 301 C ASN A 21 13.622 1.681 -12.136 1.00 25.00 C ATOM 302 O ASN A 21 13.817 1.150 -11.055 1.00 25.00 O ATOM 303 CB ASN A 21 12.206 3.734 -11.469 1.00 25.00 C ATOM 304 CG ASN A 21 13.526 4.463 -11.274 1.00 25.00 C ATOM 305 OD1 ASN A 21 14.220 4.845 -12.217 1.00 25.00 O ATOM 306 ND2 ASN A 21 13.859 4.720 -10.024 1.00 25.00 N ATOM 307 OXT ASN A 21 14.445 1.508 -13.121 1.00 25.00 O ATOM 0 H ASN A 21 10.441 1.991 -11.861 1.00 25.00 H new ATOM 0 HA ASN A 21 12.544 3.028 -13.446 1.00 25.00 H new ATOM 0 HB2 ASN A 21 11.450 4.428 -11.835 1.00 25.00 H new ATOM 0 HB3 ASN A 21 11.850 3.350 -10.513 1.00 25.00 H new ATOM 0 HD21 ASN A 21 14.709 5.246 -9.820 1.00 25.00 H new ATOM 0 HD22 ASN A 21 13.267 4.392 -9.261 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -6.993 -0.657 -22.261 1.00 25.00 N ATOM 317 CA PHE B 1 -6.562 -0.595 -20.830 1.00 25.00 C ATOM 318 C PHE B 1 -7.305 0.481 -20.002 1.00 25.00 C ATOM 319 O PHE B 1 -7.039 1.652 -20.118 1.00 25.00 O ATOM 320 CB PHE B 1 -5.054 -0.291 -20.823 1.00 25.00 C ATOM 321 CG PHE B 1 -4.479 -0.423 -19.423 1.00 25.00 C ATOM 322 CD1 PHE B 1 -4.056 -1.634 -18.923 1.00 25.00 C ATOM 323 CD2 PHE B 1 -4.431 0.700 -18.645 1.00 25.00 C ATOM 324 CE1 PHE B 1 -3.547 -1.732 -17.611 1.00 25.00 C ATOM 325 CE2 PHE B 1 -3.908 0.629 -17.358 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.489 -0.580 -16.848 1.00 25.00 C ATOM 0 H1 PHE B 1 -6.455 -1.398 -22.754 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.008 -0.877 -22.309 1.00 25.00 H new ATOM 0 H3 PHE B 1 -6.816 0.261 -22.717 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.800 -1.550 -20.362 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -4.538 -0.974 -21.498 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.881 0.718 -21.198 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -4.114 -2.518 -19.541 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.798 1.640 -19.029 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -3.212 -2.679 -17.214 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -3.830 1.523 -16.758 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.110 -0.629 -15.838 1.00 25.00 H new ATOM 337 N VAL B 2 -8.271 0.061 -19.160 1.00 25.00 N ATOM 338 CA VAL B 2 -9.060 0.969 -18.300 1.00 25.00 C ATOM 339 C VAL B 2 -8.122 1.760 -17.380 1.00 25.00 C ATOM 340 O VAL B 2 -7.154 1.182 -16.862 1.00 25.00 O ATOM 341 CB VAL B 2 -10.152 0.128 -17.447 1.00 25.00 C ATOM 342 CG1 VAL B 2 -9.470 -0.673 -16.282 1.00 25.00 C ATOM 343 CG2 VAL B 2 -11.280 1.072 -16.889 1.00 25.00 C ATOM 0 H VAL B 2 -8.527 -0.921 -19.056 1.00 25.00 H new ATOM 0 HA VAL B 2 -9.602 1.678 -18.926 1.00 25.00 H new ATOM 0 HB VAL B 2 -10.615 -0.592 -18.122 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -10.228 -1.227 -15.728 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -8.742 -1.370 -16.697 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -8.965 0.021 -15.610 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -12.000 0.483 -16.321 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -10.835 1.826 -16.240 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -11.788 1.562 -17.719 1.00 25.00 H new ATOM 353 N ASN B 3 -8.362 3.047 -17.158 1.00 25.00 N ATOM 354 CA ASN B 3 -7.511 3.828 -16.228 1.00 25.00 C ATOM 355 C ASN B 3 -8.315 3.925 -14.899 1.00 25.00 C ATOM 356 O ASN B 3 -8.888 4.970 -14.604 1.00 25.00 O ATOM 357 CB ASN B 3 -7.170 5.258 -16.771 1.00 25.00 C ATOM 358 CG ASN B 3 -6.070 5.275 -17.849 1.00 25.00 C ATOM 359 OD1 ASN B 3 -5.724 4.130 -18.354 1.00 25.00 O flip ATOM 360 ND2 ASN B 3 -5.600 6.310 -18.216 1.00 25.00 N flip ATOM 0 H ASN B 3 -9.119 3.575 -17.592 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.548 3.334 -16.096 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -8.075 5.704 -17.184 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -6.857 5.886 -15.937 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -5.902 7.187 -17.791 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -4.897 6.317 -18.955 1.00 25.00 H new ATOM 367 N GLN B 4 -8.363 2.840 -14.123 1.00 25.00 N ATOM 368 CA GLN B 4 -9.102 2.823 -12.865 1.00 25.00 C ATOM 369 C GLN B 4 -8.165 2.322 -11.786 1.00 25.00 C ATOM 370 O GLN B 4 -6.961 2.253 -11.979 1.00 25.00 O ATOM 371 CB GLN B 4 -10.383 1.954 -13.027 1.00 25.00 C ATOM 372 CG GLN B 4 -11.731 2.679 -12.816 1.00 25.00 C ATOM 373 CD GLN B 4 -11.865 3.911 -13.744 1.00 25.00 C ATOM 374 OE1 GLN B 4 -11.935 3.790 -14.928 1.00 25.00 O ATOM 375 NE2 GLN B 4 -11.993 5.074 -13.177 1.00 25.00 N ATOM 0 H GLN B 4 -7.897 1.961 -14.347 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.444 3.817 -12.578 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -10.379 1.522 -14.028 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.326 1.125 -12.322 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -12.551 1.987 -13.008 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -11.817 2.995 -11.776 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -11.930 5.156 -12.162 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -12.157 5.904 -13.747 1.00 25.00 H new ATOM 384 N HIS B 5 -8.733 1.933 -10.650 1.00 25.00 N ATOM 385 CA HIS B 5 -7.943 1.320 -9.562 1.00 25.00 C ATOM 386 C HIS B 5 -7.632 -0.082 -9.956 1.00 25.00 C ATOM 387 O HIS B 5 -8.429 -0.724 -10.629 1.00 25.00 O ATOM 388 CB HIS B 5 -8.717 1.257 -8.233 1.00 25.00 C ATOM 389 CG HIS B 5 -9.032 2.587 -7.613 1.00 25.00 C ATOM 390 ND1 HIS B 5 -8.899 2.844 -6.246 1.00 25.00 N ATOM 391 CD2 HIS B 5 -9.465 3.766 -8.140 1.00 25.00 C ATOM 392 CE1 HIS B 5 -9.237 4.070 -5.975 1.00 25.00 C ATOM 393 NE2 HIS B 5 -9.589 4.664 -7.091 1.00 25.00 N ATOM 0 H HIS B 5 -9.729 2.025 -10.449 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.052 1.930 -9.414 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -9.652 0.722 -8.400 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.137 0.670 -7.521 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -8.581 2.164 -5.556 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -9.673 3.964 -9.181 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -9.229 4.524 -4.995 1.00 25.00 H new ATOM 402 N LEU B 6 -6.465 -0.565 -9.543 1.00 25.00 N ATOM 403 CA LEU B 6 -6.054 -1.941 -9.794 1.00 25.00 C ATOM 404 C LEU B 6 -5.645 -2.563 -8.465 1.00 25.00 C ATOM 405 O LEU B 6 -4.489 -2.473 -8.118 1.00 25.00 O ATOM 406 CB LEU B 6 -4.879 -1.940 -10.774 1.00 25.00 C ATOM 407 CG LEU B 6 -5.155 -1.345 -12.164 1.00 25.00 C ATOM 408 CD1 LEU B 6 -3.886 -1.213 -12.994 1.00 25.00 C ATOM 409 CD2 LEU B 6 -6.142 -2.239 -12.912 1.00 25.00 C ATOM 0 H LEU B 6 -5.779 -0.015 -9.026 1.00 25.00 H new ATOM 0 HA LEU B 6 -6.868 -2.520 -10.230 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -4.056 -1.386 -10.322 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -4.539 -2.968 -10.903 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.569 -0.347 -12.017 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -4.131 -0.788 -13.968 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -3.181 -0.560 -12.480 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -3.436 -2.197 -13.130 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -6.339 -1.818 -13.898 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -5.718 -3.237 -13.021 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -7.075 -2.300 -12.351 1.00 25.00 H new ATOM 421 N CYS B 7 -6.561 -3.253 -7.823 1.00 25.00 N ATOM 422 CA CYS B 7 -6.270 -4.017 -6.592 1.00 25.00 C ATOM 423 C CYS B 7 -5.911 -5.539 -6.843 1.00 25.00 C ATOM 424 O CYS B 7 -4.964 -6.065 -6.272 1.00 25.00 O ATOM 425 CB CYS B 7 -7.458 -3.902 -5.679 1.00 25.00 C ATOM 426 SG CYS B 7 -7.083 -4.244 -3.934 1.00 25.00 S ATOM 0 H CYS B 7 -7.533 -3.312 -8.125 1.00 25.00 H new ATOM 0 HA CYS B 7 -5.376 -3.585 -6.141 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -7.871 -2.897 -5.761 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -8.231 -4.593 -6.016 1.00 25.00 H new HETATM 431 N AIB B 8 -6.819 -6.231 -7.627 1.00 25.00 N HETATM 432 CA AIB B 8 -6.715 -7.695 -8.060 1.00 25.00 C HETATM 433 C AIB B 8 -5.341 -8.029 -8.762 1.00 25.00 C HETATM 434 O AIB B 8 -4.541 -7.165 -9.039 1.00 25.00 O HETATM 435 CB1 AIB B 8 -7.822 -7.896 -9.140 1.00 25.00 C HETATM 436 CB2 AIB B 8 -6.972 -8.683 -6.858 1.00 25.00 C HETATM 0 H AIB B 8 -7.662 -5.783 -7.986 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -7.802 -8.927 -9.494 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -8.798 -7.680 -8.705 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -7.640 -7.222 -9.977 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -6.889 -9.712 -7.208 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -6.233 -8.505 -6.076 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -7.972 -8.516 -6.457 1.00 25.00 H new ATOM 444 N SER B 9 -5.185 -9.319 -9.182 1.00 25.00 N ATOM 445 CA SER B 9 -4.046 -9.831 -9.966 1.00 25.00 C ATOM 446 C SER B 9 -3.852 -9.049 -11.249 1.00 25.00 C ATOM 447 O SER B 9 -2.759 -8.961 -11.820 1.00 25.00 O ATOM 448 CB SER B 9 -4.239 -11.335 -10.308 1.00 25.00 C ATOM 449 OG SER B 9 -3.139 -11.869 -11.059 1.00 25.00 O ATOM 0 H SER B 9 -5.873 -10.042 -8.973 1.00 25.00 H new ATOM 0 HA SER B 9 -3.157 -9.711 -9.347 1.00 25.00 H new ATOM 0 HB2 SER B 9 -4.355 -11.903 -9.385 1.00 25.00 H new ATOM 0 HB3 SER B 9 -5.160 -11.460 -10.878 1.00 25.00 H new ATOM 0 HG SER B 9 -3.302 -12.816 -11.250 1.00 25.00 H new ATOM 455 N HIS B 10 -4.937 -8.346 -11.664 1.00 25.00 N ATOM 456 CA HIS B 10 -4.866 -7.443 -12.813 1.00 25.00 C ATOM 457 C HIS B 10 -3.746 -6.384 -12.683 1.00 25.00 C ATOM 458 O HIS B 10 -3.178 -5.972 -13.707 1.00 25.00 O ATOM 459 CB HIS B 10 -6.211 -6.766 -12.946 1.00 25.00 C ATOM 460 CG HIS B 10 -7.373 -7.722 -13.024 1.00 25.00 C ATOM 461 ND1 HIS B 10 -8.684 -7.383 -12.615 1.00 25.00 N ATOM 462 CD2 HIS B 10 -7.481 -9.008 -13.447 1.00 25.00 C ATOM 463 CE1 HIS B 10 -9.482 -8.430 -12.843 1.00 25.00 C ATOM 464 NE2 HIS B 10 -8.776 -9.411 -13.324 1.00 25.00 N ATOM 0 H HIS B 10 -5.854 -8.394 -11.219 1.00 25.00 H new ATOM 0 HA HIS B 10 -4.623 -8.028 -13.700 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -6.357 -6.101 -12.095 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -6.206 -6.143 -13.840 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -6.669 -9.614 -13.821 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -10.546 -8.458 -12.657 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -9.135 -10.334 -13.570 1.00 25.00 H new ATOM 473 N LEU B 11 -3.446 -5.953 -11.470 1.00 25.00 N ATOM 474 CA LEU B 11 -2.329 -5.022 -11.213 1.00 25.00 C ATOM 475 C LEU B 11 -0.962 -5.696 -11.541 1.00 25.00 C ATOM 476 O LEU B 11 -0.123 -5.075 -12.192 1.00 25.00 O ATOM 477 CB LEU B 11 -2.402 -4.606 -9.718 1.00 25.00 C ATOM 478 CG LEU B 11 -1.371 -3.633 -9.087 1.00 25.00 C ATOM 479 CD1 LEU B 11 -0.083 -4.356 -8.667 1.00 25.00 C ATOM 480 CD2 LEU B 11 -0.985 -2.447 -9.998 1.00 25.00 C ATOM 0 H LEU B 11 -3.958 -6.228 -10.632 1.00 25.00 H new ATOM 0 HA LEU B 11 -2.410 -4.143 -11.852 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -3.387 -4.166 -9.561 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -2.366 -5.525 -9.133 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.884 -3.234 -8.212 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.611 -3.638 -8.230 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -0.321 -5.125 -7.932 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.376 -4.819 -9.541 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -0.261 -1.814 -9.484 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.546 -2.825 -10.921 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.875 -1.863 -10.232 1.00 25.00 H new ATOM 492 N VAL B 12 -0.766 -6.940 -11.128 1.00 25.00 N ATOM 493 CA VAL B 12 0.504 -7.652 -11.366 1.00 25.00 C ATOM 494 C VAL B 12 0.660 -7.950 -12.874 1.00 25.00 C ATOM 495 O VAL B 12 1.699 -7.739 -13.478 1.00 25.00 O ATOM 496 CB VAL B 12 0.552 -8.981 -10.587 1.00 25.00 C ATOM 497 CG1 VAL B 12 1.963 -9.638 -10.690 1.00 25.00 C ATOM 498 CG2 VAL B 12 0.165 -8.777 -9.144 1.00 25.00 C ATOM 0 H VAL B 12 -1.465 -7.487 -10.625 1.00 25.00 H new ATOM 0 HA VAL B 12 1.317 -7.013 -11.021 1.00 25.00 H new ATOM 0 HB VAL B 12 -0.172 -9.658 -11.040 1.00 25.00 H new ATOM 0 HG11 VAL B 12 1.970 -10.574 -10.132 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.196 -9.837 -11.736 1.00 25.00 H new ATOM 0 HG13 VAL B 12 2.710 -8.962 -10.274 1.00 25.00 H new ATOM 0 HG21 VAL B 12 0.207 -9.731 -8.618 1.00 25.00 H new ATOM 0 HG22 VAL B 12 0.856 -8.074 -8.678 1.00 25.00 H new ATOM 0 HG23 VAL B 12 -0.848 -8.378 -9.092 1.00 25.00 H new ATOM 508 N GLU B 13 -0.437 -8.334 -13.515 1.00 25.00 N ATOM 509 CA GLU B 13 -0.433 -8.506 -14.970 1.00 25.00 C ATOM 510 C GLU B 13 -0.104 -7.214 -15.687 1.00 25.00 C ATOM 511 O GLU B 13 0.765 -7.224 -16.553 1.00 25.00 O ATOM 512 CB GLU B 13 -1.766 -9.101 -15.441 1.00 25.00 C ATOM 513 CG GLU B 13 -1.702 -9.588 -16.874 1.00 25.00 C ATOM 514 CD GLU B 13 -2.802 -10.571 -17.221 1.00 25.00 C ATOM 515 OE1 GLU B 13 -3.067 -11.506 -16.520 1.00 25.00 O ATOM 516 OE2 GLU B 13 -3.516 -10.262 -18.248 1.00 25.00 O ATOM 0 H GLU B 13 -1.330 -8.531 -13.063 1.00 25.00 H new ATOM 0 HA GLU B 13 0.358 -9.211 -15.227 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -2.042 -9.930 -14.789 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.550 -8.349 -15.349 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.764 -8.731 -17.545 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.735 -10.059 -17.048 1.00 25.00 H new ATOM 524 N ALA B 14 -0.721 -6.113 -15.314 1.00 25.00 N ATOM 525 CA ALA B 14 -0.452 -4.818 -15.982 1.00 25.00 C ATOM 526 C ALA B 14 0.981 -4.312 -15.773 1.00 25.00 C ATOM 527 O ALA B 14 1.621 -3.732 -16.674 1.00 25.00 O ATOM 528 CB ALA B 14 -1.420 -3.786 -15.446 1.00 25.00 C ATOM 0 H ALA B 14 -1.408 -6.068 -14.562 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.580 -4.975 -17.053 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.234 -2.827 -15.929 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.442 -4.104 -15.653 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -1.283 -3.683 -14.370 1.00 25.00 H new ATOM 534 N LEU B 15 1.506 -4.503 -14.569 1.00 25.00 N ATOM 535 CA LEU B 15 2.898 -4.134 -14.340 1.00 25.00 C ATOM 536 C LEU B 15 3.795 -5.002 -15.189 1.00 25.00 C ATOM 537 O LEU B 15 4.732 -4.540 -15.789 1.00 25.00 O ATOM 538 CB LEU B 15 3.252 -4.347 -12.875 1.00 25.00 C ATOM 539 CG LEU B 15 3.818 -3.122 -12.102 1.00 25.00 C ATOM 540 CD1 LEU B 15 4.017 -3.511 -10.663 1.00 25.00 C ATOM 541 CD2 LEU B 15 5.128 -2.628 -12.721 1.00 25.00 C ATOM 0 H LEU B 15 1.014 -4.895 -13.766 1.00 25.00 H new ATOM 0 HA LEU B 15 3.036 -3.085 -14.603 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.357 -4.691 -12.356 1.00 25.00 H new ATOM 0 HB3 LEU B 15 3.984 -5.153 -12.817 1.00 25.00 H new ATOM 0 HG LEU B 15 3.107 -2.298 -12.165 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.414 -2.661 -10.108 1.00 25.00 H new ATOM 0 HD12 LEU B 15 3.062 -3.812 -10.232 1.00 25.00 H new ATOM 0 HD13 LEU B 15 4.719 -4.342 -10.605 1.00 25.00 H new ATOM 0 HD21 LEU B 15 5.497 -1.771 -12.157 1.00 25.00 H new ATOM 0 HD22 LEU B 15 5.868 -3.427 -12.692 1.00 25.00 H new ATOM 0 HD23 LEU B 15 4.953 -2.333 -13.756 1.00 25.00 H new ATOM 553 N TYR B 16 3.494 -6.289 -15.255 1.00 25.00 N ATOM 554 CA TYR B 16 4.289 -7.175 -16.079 1.00 25.00 C ATOM 555 C TYR B 16 4.208 -6.775 -17.552 1.00 25.00 C ATOM 556 O TYR B 16 5.224 -6.855 -18.220 1.00 25.00 O ATOM 557 CB TYR B 16 3.872 -8.635 -15.907 1.00 25.00 C ATOM 558 CG TYR B 16 4.508 -9.570 -16.897 1.00 25.00 C ATOM 559 CD1 TYR B 16 5.838 -9.950 -16.810 1.00 25.00 C ATOM 560 CD2 TYR B 16 3.772 -10.090 -17.954 1.00 25.00 C ATOM 561 CE1 TYR B 16 6.424 -10.831 -17.742 1.00 25.00 C ATOM 562 CE2 TYR B 16 4.323 -10.992 -18.876 1.00 25.00 C ATOM 563 CZ TYR B 16 5.609 -11.359 -18.748 1.00 25.00 C ATOM 564 OH TYR B 16 6.169 -12.319 -19.595 1.00 25.00 O ATOM 0 H TYR B 16 2.722 -6.733 -14.758 1.00 25.00 H new ATOM 0 HA TYR B 16 5.322 -7.078 -15.746 1.00 25.00 H new ATOM 0 HB2 TYR B 16 4.129 -8.960 -14.899 1.00 25.00 H new ATOM 0 HB3 TYR B 16 2.788 -8.706 -15.999 1.00 25.00 H new ATOM 0 HD1 TYR B 16 6.443 -9.560 -16.005 1.00 25.00 H new ATOM 0 HD2 TYR B 16 2.741 -9.790 -18.070 1.00 25.00 H new ATOM 0 HE1 TYR B 16 7.471 -11.090 -17.681 1.00 25.00 H new ATOM 0 HE2 TYR B 16 3.720 -11.387 -19.680 1.00 25.00 H new ATOM 0 HH TYR B 16 5.500 -12.607 -20.250 1.00 25.00 H new ATOM 574 N LEU B 17 3.061 -6.299 -18.019 1.00 25.00 N ATOM 575 CA LEU B 17 2.973 -5.883 -19.432 1.00 25.00 C ATOM 576 C LEU B 17 3.792 -4.648 -19.733 1.00 25.00 C ATOM 577 O LEU B 17 4.499 -4.608 -20.737 1.00 25.00 O ATOM 578 CB LEU B 17 1.514 -5.605 -19.869 1.00 25.00 C ATOM 579 CG LEU B 17 0.655 -6.881 -20.018 1.00 25.00 C ATOM 580 CD1 LEU B 17 -0.874 -6.670 -20.098 1.00 25.00 C ATOM 581 CD2 LEU B 17 1.100 -7.579 -21.317 1.00 25.00 C ATOM 0 H LEU B 17 2.205 -6.190 -17.475 1.00 25.00 H new ATOM 0 HA LEU B 17 3.375 -6.726 -19.994 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.045 -4.945 -19.139 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.524 -5.072 -20.820 1.00 25.00 H new ATOM 0 HG LEU B 17 0.819 -7.460 -19.109 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.370 -7.635 -20.201 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.222 -6.179 -19.189 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.111 -6.047 -20.960 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.516 -8.488 -21.460 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.942 -6.909 -22.162 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.158 -7.834 -21.249 1.00 25.00 H new ATOM 593 N VAL B 18 3.784 -3.688 -18.820 1.00 25.00 N ATOM 594 CA VAL B 18 4.539 -2.443 -19.073 1.00 25.00 C ATOM 595 C VAL B 18 6.056 -2.622 -18.825 1.00 25.00 C ATOM 596 O VAL B 18 6.852 -2.068 -19.534 1.00 25.00 O ATOM 597 CB VAL B 18 3.947 -1.171 -18.255 1.00 25.00 C ATOM 598 CG1 VAL B 18 4.256 -1.239 -16.754 1.00 25.00 C ATOM 599 CG2 VAL B 18 4.435 0.136 -18.816 1.00 25.00 C ATOM 0 H VAL B 18 3.289 -3.729 -17.929 1.00 25.00 H new ATOM 0 HA VAL B 18 4.406 -2.221 -20.132 1.00 25.00 H new ATOM 0 HB VAL B 18 2.865 -1.222 -18.379 1.00 25.00 H new ATOM 0 HG11 VAL B 18 3.837 -0.364 -16.256 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.815 -2.142 -16.332 1.00 25.00 H new ATOM 0 HG13 VAL B 18 5.336 -1.259 -16.605 1.00 25.00 H new ATOM 0 HG21 VAL B 18 4.014 0.959 -18.239 1.00 25.00 H new ATOM 0 HG22 VAL B 18 5.523 0.172 -18.760 1.00 25.00 H new ATOM 0 HG23 VAL B 18 4.122 0.225 -19.856 1.00 25.00 H new ATOM 609 N CYS B 19 6.435 -3.475 -17.887 1.00 25.00 N ATOM 610 CA CYS B 19 7.875 -3.732 -17.586 1.00 25.00 C ATOM 611 C CYS B 19 8.530 -4.676 -18.566 1.00 25.00 C ATOM 612 O CYS B 19 9.728 -4.579 -18.823 1.00 25.00 O ATOM 613 CB CYS B 19 8.027 -4.276 -16.162 1.00 25.00 C ATOM 614 SG CYS B 19 8.887 -3.197 -14.920 1.00 25.00 S ATOM 0 H CYS B 19 5.785 -4.010 -17.311 1.00 25.00 H new ATOM 0 HA CYS B 19 8.386 -2.774 -17.680 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.031 -4.501 -15.780 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.568 -5.221 -16.219 1.00 25.00 H new ATOM 619 N GLY B 20 7.746 -5.582 -19.131 1.00 25.00 N ATOM 620 CA GLY B 20 8.277 -6.506 -20.116 1.00 25.00 C ATOM 621 C GLY B 20 9.062 -7.670 -19.506 1.00 25.00 C ATOM 622 O GLY B 20 8.712 -8.830 -19.792 1.00 25.00 O ATOM 0 H GLY B 20 6.753 -5.695 -18.927 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.453 -6.905 -20.708 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.926 -5.960 -20.800 1.00 25.00 H new ATOM 626 N GLU B 21 10.088 -7.417 -18.686 1.00 25.00 N ATOM 627 CA GLU B 21 10.917 -8.491 -18.149 1.00 25.00 C ATOM 628 C GLU B 21 11.007 -8.564 -16.591 1.00 25.00 C ATOM 629 O GLU B 21 12.052 -8.816 -16.020 1.00 25.00 O ATOM 630 CB GLU B 21 12.339 -8.407 -18.746 1.00 25.00 C ATOM 631 CG GLU B 21 12.430 -8.678 -20.249 1.00 25.00 C ATOM 632 CD GLU B 21 13.847 -8.968 -20.711 1.00 25.00 C ATOM 633 OE1 GLU B 21 14.480 -9.919 -20.395 1.00 25.00 O ATOM 634 OE2 GLU B 21 14.345 -8.021 -21.434 1.00 25.00 O ATOM 0 H GLU B 21 10.360 -6.482 -18.384 1.00 25.00 H new ATOM 0 HA GLU B 21 10.411 -9.409 -18.448 1.00 25.00 H new ATOM 0 HB2 GLU B 21 12.742 -7.414 -18.547 1.00 25.00 H new ATOM 0 HB3 GLU B 21 12.978 -9.120 -18.225 1.00 25.00 H new ATOM 0 HG2 GLU B 21 11.791 -9.524 -20.500 1.00 25.00 H new ATOM 0 HG3 GLU B 21 12.045 -7.815 -20.793 1.00 25.00 H new ATOM 642 N ARG B 22 9.848 -8.381 -15.959 1.00 25.00 N ATOM 643 CA ARG B 22 9.710 -8.469 -14.480 1.00 25.00 C ATOM 644 C ARG B 22 10.651 -7.586 -13.666 1.00 25.00 C ATOM 645 O ARG B 22 11.123 -7.951 -12.637 1.00 25.00 O ATOM 646 CB ARG B 22 9.842 -9.917 -14.004 1.00 25.00 C ATOM 647 CG ARG B 22 8.829 -10.870 -14.499 1.00 25.00 C ATOM 648 CD ARG B 22 7.621 -10.816 -13.628 1.00 25.00 C ATOM 649 NE ARG B 22 6.631 -11.818 -14.091 1.00 25.00 N ATOM 650 CZ ARG B 22 5.428 -12.045 -13.557 1.00 25.00 C ATOM 651 NH1 ARG B 22 4.958 -11.372 -12.501 1.00 25.00 N ATOM 652 NH2 ARG B 22 4.694 -12.998 -14.092 1.00 25.00 N ATOM 0 H ARG B 22 8.975 -8.168 -16.442 1.00 25.00 H new ATOM 0 HA ARG B 22 8.709 -8.081 -14.292 1.00 25.00 H new ATOM 0 HB2 ARG B 22 10.826 -10.283 -14.296 1.00 25.00 H new ATOM 0 HB3 ARG B 22 9.811 -9.922 -12.914 1.00 25.00 H new ATOM 0 HG2 ARG B 22 8.559 -10.628 -15.527 1.00 25.00 H new ATOM 0 HG3 ARG B 22 9.239 -11.880 -14.507 1.00 25.00 H new ATOM 0 HD2 ARG B 22 7.897 -11.014 -12.592 1.00 25.00 H new ATOM 0 HD3 ARG B 22 7.184 -9.818 -13.656 1.00 25.00 H new ATOM 0 HE ARG B 22 6.894 -12.389 -14.894 1.00 25.00 H new ATOM 0 HH11 ARG B 22 5.526 -10.646 -12.065 1.00 25.00 H new ATOM 0 HH12 ARG B 22 4.031 -11.585 -12.132 1.00 25.00 H new ATOM 0 HH21 ARG B 22 5.050 -13.532 -14.885 1.00 25.00 H new ATOM 0 HH22 ARG B 22 3.769 -13.203 -13.713 1.00 25.00 H new ATOM 666 N GLY B 23 10.870 -6.371 -14.116 1.00 25.00 N ATOM 667 CA GLY B 23 11.722 -5.436 -13.409 1.00 25.00 C ATOM 668 C GLY B 23 11.028 -4.727 -12.252 1.00 25.00 C ATOM 669 O GLY B 23 11.151 -3.534 -12.074 1.00 25.00 O ATOM 0 H GLY B 23 10.466 -6.003 -14.977 1.00 25.00 H new ATOM 0 HA2 GLY B 23 12.593 -5.969 -13.027 1.00 25.00 H new ATOM 0 HA3 GLY B 23 12.089 -4.689 -14.113 1.00 25.00 H new ATOM 673 N PHE B 24 10.296 -5.490 -11.486 1.00 25.00 N ATOM 674 CA PHE B 24 9.568 -4.968 -10.330 1.00 25.00 C ATOM 675 C PHE B 24 9.456 -6.106 -9.300 1.00 25.00 C ATOM 676 O PHE B 24 9.666 -7.264 -9.613 1.00 25.00 O ATOM 677 CB PHE B 24 8.139 -4.498 -10.744 1.00 25.00 C ATOM 678 CG PHE B 24 7.290 -5.609 -11.286 1.00 25.00 C ATOM 679 CD1 PHE B 24 7.338 -5.984 -12.634 1.00 25.00 C ATOM 680 CD2 PHE B 24 6.407 -6.299 -10.410 1.00 25.00 C ATOM 681 CE1 PHE B 24 6.482 -7.021 -13.117 1.00 25.00 C ATOM 682 CE2 PHE B 24 5.600 -7.362 -10.874 1.00 25.00 C ATOM 683 CZ PHE B 24 5.619 -7.691 -12.228 1.00 25.00 C ATOM 0 H PHE B 24 10.179 -6.492 -11.634 1.00 25.00 H new ATOM 0 HA PHE B 24 10.097 -4.111 -9.913 1.00 25.00 H new ATOM 0 HB2 PHE B 24 7.643 -4.058 -9.879 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.224 -3.714 -11.496 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.022 -5.490 -13.308 1.00 25.00 H new ATOM 0 HD2 PHE B 24 6.352 -6.005 -9.372 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.497 -7.291 -14.163 1.00 25.00 H new ATOM 0 HE2 PHE B 24 4.975 -7.913 -10.187 1.00 25.00 H new ATOM 0 HZ PHE B 24 4.966 -8.467 -12.599 1.00 25.00 H new ATOM 693 N PHE B 25 9.073 -5.749 -8.105 1.00 25.00 N ATOM 694 CA PHE B 25 8.978 -6.685 -6.996 1.00 25.00 C ATOM 695 C PHE B 25 7.705 -6.395 -6.209 1.00 25.00 C ATOM 696 O PHE B 25 7.112 -5.342 -6.413 1.00 25.00 O ATOM 697 CB PHE B 25 10.198 -6.526 -6.084 1.00 25.00 C ATOM 698 CG PHE B 25 10.799 -7.825 -5.687 1.00 25.00 C ATOM 699 CD1 PHE B 25 11.549 -8.569 -6.616 1.00 25.00 C ATOM 700 CD2 PHE B 25 10.525 -8.341 -4.432 1.00 25.00 C ATOM 701 CE1 PHE B 25 12.073 -9.822 -6.268 1.00 25.00 C ATOM 702 CE2 PHE B 25 11.104 -9.601 -4.029 1.00 25.00 C ATOM 703 CZ PHE B 25 11.874 -10.334 -4.965 1.00 25.00 C ATOM 0 H PHE B 25 8.813 -4.793 -7.862 1.00 25.00 H new ATOM 0 HA PHE B 25 8.949 -7.706 -7.376 1.00 25.00 H new ATOM 0 HB2 PHE B 25 10.950 -5.925 -6.594 1.00 25.00 H new ATOM 0 HB3 PHE B 25 9.906 -5.978 -5.188 1.00 25.00 H new ATOM 0 HD1 PHE B 25 11.723 -8.172 -7.605 1.00 25.00 H new ATOM 0 HD2 PHE B 25 9.879 -7.802 -3.755 1.00 25.00 H new ATOM 0 HE1 PHE B 25 12.628 -10.396 -6.995 1.00 25.00 H new ATOM 0 HE2 PHE B 25 10.952 -9.979 -3.029 1.00 25.00 H new ATOM 0 HZ PHE B 25 12.308 -11.282 -4.684 1.00 25.00 H new ATOM 713 N TYR B 26 7.400 -7.302 -5.272 1.00 25.00 N ATOM 714 CA TYR B 26 6.365 -7.213 -4.186 1.00 25.00 C ATOM 715 C TYR B 26 5.157 -8.087 -4.434 1.00 25.00 C ATOM 716 O TYR B 26 4.673 -8.159 -5.550 1.00 25.00 O ATOM 717 CB TYR B 26 5.864 -5.780 -3.865 1.00 25.00 C ATOM 718 CG TYR B 26 4.987 -5.673 -2.659 1.00 25.00 C ATOM 719 CD1 TYR B 26 3.596 -5.823 -2.742 1.00 25.00 C ATOM 720 CD2 TYR B 26 5.540 -5.454 -1.414 1.00 25.00 C ATOM 721 CE1 TYR B 26 2.773 -5.762 -1.592 1.00 25.00 C ATOM 722 CE2 TYR B 26 4.721 -5.361 -0.255 1.00 25.00 C ATOM 723 CZ TYR B 26 3.333 -5.518 -0.332 1.00 25.00 C ATOM 724 OH TYR B 26 2.577 -5.447 0.800 1.00 25.00 O ATOM 0 H TYR B 26 7.897 -8.192 -5.234 1.00 25.00 H new ATOM 0 HA TYR B 26 6.917 -7.578 -3.320 1.00 25.00 H new ATOM 0 HB2 TYR B 26 6.729 -5.132 -3.725 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.317 -5.401 -4.728 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.141 -5.989 -3.707 1.00 25.00 H new ATOM 0 HD2 TYR B 26 6.611 -5.352 -1.318 1.00 25.00 H new ATOM 0 HE1 TYR B 26 1.707 -5.905 -1.687 1.00 25.00 H new ATOM 0 HE2 TYR B 26 5.179 -5.165 0.703 1.00 25.00 H new ATOM 0 HH TYR B 26 2.330 -4.514 0.971 1.00 25.00 H new ATOM 734 N THR B 27 4.668 -8.757 -3.395 1.00 25.00 N ATOM 735 CA THR B 27 3.456 -9.587 -3.455 1.00 25.00 C ATOM 736 C THR B 27 2.901 -9.500 -2.028 1.00 25.00 C ATOM 737 O THR B 27 3.625 -9.065 -1.098 1.00 25.00 O ATOM 738 CB THR B 27 3.791 -11.087 -3.815 1.00 25.00 C ATOM 739 OG1 THR B 27 2.570 -11.826 -4.033 1.00 25.00 O ATOM 740 CG2 THR B 27 4.543 -11.781 -2.713 1.00 25.00 C ATOM 0 H THR B 27 5.104 -8.743 -2.473 1.00 25.00 H new ATOM 0 HA THR B 27 2.760 -9.248 -4.222 1.00 25.00 H new ATOM 0 HB THR B 27 4.409 -11.061 -4.712 1.00 25.00 H new ATOM 0 HG1 THR B 27 2.786 -12.755 -4.258 1.00 25.00 H new ATOM 0 HG21 THR B 27 4.751 -12.810 -3.006 1.00 25.00 H new ATOM 0 HG22 THR B 27 5.482 -11.259 -2.529 1.00 25.00 H new ATOM 0 HG23 THR B 27 3.942 -11.777 -1.804 1.00 25.00 H new ATOM 748 N LYS B 28 1.644 -9.914 -1.820 1.00 25.00 N ATOM 749 CA LYS B 28 1.027 -9.893 -0.479 1.00 25.00 C ATOM 750 C LYS B 28 1.906 -10.723 0.544 1.00 25.00 C ATOM 751 O LYS B 28 2.201 -11.887 0.300 1.00 25.00 O ATOM 752 CB LYS B 28 -0.400 -10.480 -0.559 1.00 25.00 C ATOM 753 CG LYS B 28 -0.463 -11.866 -1.247 1.00 25.00 C ATOM 754 CD LYS B 28 -1.888 -12.368 -1.351 1.00 25.00 C ATOM 755 CE LYS B 28 -1.953 -13.791 -1.937 1.00 25.00 C ATOM 756 NZ LYS B 28 -3.383 -14.256 -1.982 1.00 25.00 N ATOM 0 H LYS B 28 1.033 -10.267 -2.557 1.00 25.00 H new ATOM 0 HA LYS B 28 0.972 -8.863 -0.127 1.00 25.00 H new ATOM 0 HB2 LYS B 28 -0.806 -10.565 0.449 1.00 25.00 H new ATOM 0 HB3 LYS B 28 -1.040 -9.785 -1.102 1.00 25.00 H new ATOM 0 HG2 LYS B 28 -0.026 -11.799 -2.243 1.00 25.00 H new ATOM 0 HG3 LYS B 28 0.136 -12.581 -0.683 1.00 25.00 H new ATOM 0 HD2 LYS B 28 -2.349 -12.361 -0.363 1.00 25.00 H new ATOM 0 HD3 LYS B 28 -2.467 -11.690 -1.978 1.00 25.00 H new ATOM 0 HE2 LYS B 28 -1.525 -13.802 -2.940 1.00 25.00 H new ATOM 0 HE3 LYS B 28 -1.358 -14.473 -1.329 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 -3.423 -15.217 -2.378 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 -3.777 -14.261 -1.019 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 -3.939 -13.612 -2.580 1.00 25.00 H new ATOM 770 N PRO B 29 2.393 -10.073 1.630 1.00 25.00 N ATOM 771 CA PRO B 29 3.301 -10.810 2.545 1.00 25.00 C ATOM 772 C PRO B 29 2.486 -11.783 3.484 1.00 25.00 C ATOM 773 O PRO B 29 1.930 -11.370 4.529 1.00 25.00 O ATOM 774 CB PRO B 29 3.973 -9.668 3.340 1.00 25.00 C ATOM 775 CG PRO B 29 2.961 -8.566 3.362 1.00 25.00 C ATOM 776 CD PRO B 29 2.193 -8.689 2.079 1.00 25.00 C ATOM 0 HA PRO B 29 4.019 -11.452 2.034 1.00 25.00 H new ATOM 0 HB2 PRO B 29 4.230 -9.988 4.350 1.00 25.00 H new ATOM 0 HB3 PRO B 29 4.898 -9.345 2.862 1.00 25.00 H new ATOM 0 HG2 PRO B 29 2.300 -8.660 4.224 1.00 25.00 H new ATOM 0 HG3 PRO B 29 3.445 -7.592 3.436 1.00 25.00 H new ATOM 0 HD2 PRO B 29 1.135 -8.476 2.233 1.00 25.00 H new ATOM 0 HD3 PRO B 29 2.556 -7.979 1.335 1.00 25.00 H new ATOM 784 N THR B 30 2.418 -13.117 3.127 1.00 25.00 N ATOM 785 CA THR B 30 1.642 -14.136 3.910 1.00 25.00 C ATOM 786 C THR B 30 2.212 -15.552 3.897 1.00 25.00 C ATOM 787 O THR B 30 2.243 -16.288 4.862 1.00 25.00 O ATOM 788 CB THR B 30 0.095 -14.142 3.621 1.00 25.00 C ATOM 789 OG1 THR B 30 -0.562 -15.277 4.188 1.00 25.00 O ATOM 790 CG2 THR B 30 -0.237 -14.126 2.179 1.00 25.00 C ATOM 791 OXT THR B 30 2.576 -15.974 2.709 1.00 25.00 O ATOM 0 H THR B 30 2.890 -13.501 2.308 1.00 25.00 H new ATOM 0 HA THR B 30 1.774 -13.775 4.930 1.00 25.00 H new ATOM 0 HB THR B 30 -0.258 -13.221 4.086 1.00 25.00 H new ATOM 0 HG1 THR B 30 -1.520 -15.236 3.984 1.00 25.00 H new ATOM 0 HG21 THR B 30 -1.320 -14.131 2.055 1.00 25.00 H new ATOM 0 HG22 THR B 30 0.177 -13.228 1.720 1.00 25.00 H new ATOM 0 HG23 THR B 30 0.188 -15.007 1.698 1.00 25.00 H new TER 800 THR B 30