USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 GLN :FLIP amide:sc= 0.569 F(o=-3.6,f=1.6) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -120:sc= 1.02 (180deg=0) USER MOD Set 2.1: A 51 ASN : amide:sc= -4.94! C(o=-7.4!,f=-12!) USER MOD Set 2.2: A 55 ASN : amide:sc= -2.46! C(o=-7.4!,f=-8.3!) USER MOD Single : A 6 THR OG1 : rot 24:sc= 0.262 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -125:sc= -1.54 (180deg=-3.73!) USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.28) USER MOD Single : A 24 SER OG : rot -30:sc= 0.125 USER MOD Single : A 25 TYR OH : rot 175:sc= 0.427 USER MOD Single : A 26 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.6!) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -3.9! C(o=-3.9!,f=-4.6!) USER MOD Single : A 39 LYS NZ :NH3+ -147:sc= -0.164 (180deg=-0.953) USER MOD Single : A 43 GLN : amide:sc= -1.01 K(o=-1,f=-1.9!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= 0.0631 K(o=0.063,f=-3.6!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -5.7! C(o=-5.7!,f=-17!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.53) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.161) USER MOD Single : A 76 GLN : amide:sc= 0.914 K(o=0.91,f=-2.7!) USER MOD Single : A 78 THR OG1 : rot 11:sc= -0.212 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 -11.292 -4.980 22.780 1.00 0.00 N ATOM 45 CA ILE A 4 -10.483 -5.354 21.613 1.00 0.00 C ATOM 46 C ILE A 4 -10.013 -4.116 20.864 1.00 0.00 C ATOM 47 O ILE A 4 -10.539 -3.023 21.053 1.00 0.00 O ATOM 48 CB ILE A 4 -11.296 -6.261 20.664 1.00 0.00 C ATOM 49 CG1 ILE A 4 -12.776 -5.874 20.751 1.00 0.00 C ATOM 50 CG2 ILE A 4 -11.135 -7.736 21.055 1.00 0.00 C ATOM 51 CD1 ILE A 4 -12.940 -4.366 20.502 1.00 0.00 C ATOM 0 HA ILE A 4 -9.609 -5.901 21.968 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.929 -6.128 19.646 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -13.352 -6.437 20.016 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -13.171 -6.134 21.733 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -11.716 -8.358 20.374 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -10.083 -8.016 20.995 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -11.492 -7.883 22.074 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.995 -4.099 20.566 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.379 -3.810 21.253 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.562 -4.118 19.510 1.00 0.00 H new ATOM 63 N PHE A 5 -9.016 -4.301 20.009 1.00 0.00 N ATOM 64 CA PHE A 5 -8.487 -3.190 19.236 1.00 0.00 C ATOM 65 C PHE A 5 -9.595 -2.552 18.400 1.00 0.00 C ATOM 66 O PHE A 5 -10.665 -3.132 18.227 1.00 0.00 O ATOM 67 CB PHE A 5 -7.363 -3.691 18.309 1.00 0.00 C ATOM 68 CG PHE A 5 -6.382 -2.569 18.051 1.00 0.00 C ATOM 69 CD1 PHE A 5 -6.587 -1.688 16.984 1.00 0.00 C ATOM 70 CD2 PHE A 5 -5.267 -2.417 18.879 1.00 0.00 C ATOM 71 CE1 PHE A 5 -5.686 -0.643 16.756 1.00 0.00 C ATOM 72 CE2 PHE A 5 -4.364 -1.373 18.652 1.00 0.00 C ATOM 73 CZ PHE A 5 -4.568 -0.492 17.583 1.00 0.00 C ATOM 0 H PHE A 5 -8.563 -5.198 19.836 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.087 -2.443 19.922 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.851 -4.538 18.766 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.784 -4.044 17.367 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.442 -1.815 16.336 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.102 -3.106 19.694 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.853 0.047 15.942 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.510 -1.247 19.301 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.862 0.304 17.397 1.00 0.00 H new ATOM 83 N THR A 6 -9.328 -1.357 17.886 1.00 0.00 N ATOM 84 CA THR A 6 -10.313 -0.654 17.072 1.00 0.00 C ATOM 85 C THR A 6 -10.422 -1.285 15.686 1.00 0.00 C ATOM 86 O THR A 6 -9.487 -1.924 15.202 1.00 0.00 O ATOM 87 CB THR A 6 -9.914 0.823 16.939 1.00 0.00 C ATOM 88 OG1 THR A 6 -8.511 0.914 16.720 1.00 0.00 O ATOM 89 CG2 THR A 6 -10.284 1.574 18.217 1.00 0.00 C ATOM 0 H THR A 6 -8.448 -0.859 18.016 1.00 0.00 H new ATOM 0 HA THR A 6 -11.284 -0.729 17.562 1.00 0.00 H new ATOM 0 HB THR A 6 -10.444 1.268 16.097 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.187 0.078 16.326 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.999 2.622 18.119 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.359 1.504 18.382 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.758 1.133 19.064 1.00 0.00 H new ATOM 97 N VAL A 7 -11.569 -1.092 15.053 1.00 0.00 N ATOM 98 CA VAL A 7 -11.799 -1.635 13.721 1.00 0.00 C ATOM 99 C VAL A 7 -10.899 -0.952 12.698 1.00 0.00 C ATOM 100 O VAL A 7 -10.650 -1.488 11.621 1.00 0.00 O ATOM 101 CB VAL A 7 -13.262 -1.457 13.322 1.00 0.00 C ATOM 102 CG1 VAL A 7 -14.145 -2.352 14.196 1.00 0.00 C ATOM 103 CG2 VAL A 7 -13.669 0.005 13.518 1.00 0.00 C ATOM 0 H VAL A 7 -12.353 -0.565 15.438 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.561 -2.698 13.742 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.388 -1.734 12.275 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.189 -2.224 13.910 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -13.856 -3.394 14.058 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -14.019 -2.076 15.243 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.713 0.133 13.233 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -13.542 0.281 14.565 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.042 0.644 12.896 1.00 0.00 H new ATOM 113 N GLN A 8 -10.431 0.247 13.034 1.00 0.00 N ATOM 114 CA GLN A 8 -9.582 1.005 12.123 1.00 0.00 C ATOM 115 C GLN A 8 -8.450 0.129 11.594 1.00 0.00 C ATOM 116 O GLN A 8 -8.180 0.111 10.394 1.00 0.00 O ATOM 117 CB GLN A 8 -8.990 2.213 12.853 1.00 0.00 C ATOM 118 CG GLN A 8 -10.109 3.185 13.229 1.00 0.00 C ATOM 119 CD GLN A 8 -9.530 4.395 13.953 1.00 0.00 C ATOM 120 OE1 GLN A 8 -9.125 5.366 13.314 1.00 0.00 O ATOM 121 NE2 GLN A 8 -9.464 4.394 15.256 1.00 0.00 N ATOM 0 H GLN A 8 -10.623 0.710 13.922 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.189 1.344 11.284 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.462 1.886 13.749 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.259 2.713 12.217 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.638 3.507 12.332 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.837 2.684 13.867 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.800 3.588 15.783 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.076 5.199 15.748 1.00 0.00 H new ATOM 130 N GLU A 9 -7.803 -0.604 12.490 1.00 0.00 N ATOM 131 CA GLU A 9 -6.711 -1.486 12.094 1.00 0.00 C ATOM 132 C GLU A 9 -7.244 -2.668 11.292 1.00 0.00 C ATOM 133 O GLU A 9 -6.613 -3.119 10.334 1.00 0.00 O ATOM 134 CB GLU A 9 -5.976 -1.996 13.335 1.00 0.00 C ATOM 135 CG GLU A 9 -4.747 -2.803 12.908 1.00 0.00 C ATOM 136 CD GLU A 9 -3.997 -3.298 14.138 1.00 0.00 C ATOM 137 OE1 GLU A 9 -4.637 -3.856 15.015 1.00 0.00 O ATOM 138 OE2 GLU A 9 -2.793 -3.110 14.189 1.00 0.00 O ATOM 0 H GLU A 9 -8.012 -0.607 13.488 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.018 -0.921 11.470 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.673 -1.157 13.961 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.641 -2.617 13.935 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.053 -3.649 12.293 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.090 -2.185 12.296 1.00 0.00 H new ATOM 145 N LEU A 10 -8.404 -3.175 11.697 1.00 0.00 N ATOM 146 CA LEU A 10 -9.006 -4.310 11.015 1.00 0.00 C ATOM 147 C LEU A 10 -9.400 -3.937 9.589 1.00 0.00 C ATOM 148 O LEU A 10 -9.221 -4.723 8.661 1.00 0.00 O ATOM 149 CB LEU A 10 -10.243 -4.791 11.783 1.00 0.00 C ATOM 150 CG LEU A 10 -10.808 -6.060 11.122 1.00 0.00 C ATOM 151 CD1 LEU A 10 -9.794 -7.214 11.238 1.00 0.00 C ATOM 152 CD2 LEU A 10 -12.118 -6.449 11.812 1.00 0.00 C ATOM 0 H LEU A 10 -8.941 -2.820 12.488 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.270 -5.113 10.975 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.980 -4.997 12.821 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.001 -4.008 11.795 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.995 -5.863 10.066 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.204 -8.107 10.767 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.866 -6.934 10.739 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.594 -7.418 12.290 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.522 -7.348 11.346 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.930 -6.641 12.868 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.837 -5.635 11.713 1.00 0.00 H new ATOM 164 N LYS A 11 -9.953 -2.743 9.431 1.00 0.00 N ATOM 165 CA LYS A 11 -10.383 -2.279 8.119 1.00 0.00 C ATOM 166 C LYS A 11 -9.202 -2.214 7.159 1.00 0.00 C ATOM 167 O LYS A 11 -9.320 -2.579 5.989 1.00 0.00 O ATOM 168 CB LYS A 11 -11.025 -0.895 8.239 1.00 0.00 C ATOM 169 CG LYS A 11 -12.379 -1.015 8.942 1.00 0.00 C ATOM 170 CD LYS A 11 -13.004 0.374 9.085 1.00 0.00 C ATOM 171 CE LYS A 11 -14.372 0.250 9.759 1.00 0.00 C ATOM 172 NZ LYS A 11 -14.997 1.599 9.866 1.00 0.00 N ATOM 0 H LYS A 11 -10.114 -2.081 10.190 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.115 -2.985 7.727 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.371 -0.227 8.800 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.155 -0.457 7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.041 -1.666 8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.252 -1.471 9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.353 1.019 9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.110 0.840 8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.014 -0.416 9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.263 -0.192 10.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.927 1.515 10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.386 2.221 10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.115 2.004 8.915 1.00 0.00 H new ATOM 186 N GLU A 12 -8.064 -1.742 7.657 1.00 0.00 N ATOM 187 CA GLU A 12 -6.870 -1.629 6.828 1.00 0.00 C ATOM 188 C GLU A 12 -6.426 -3.001 6.330 1.00 0.00 C ATOM 189 O GLU A 12 -6.216 -3.198 5.132 1.00 0.00 O ATOM 190 CB GLU A 12 -5.737 -0.988 7.634 1.00 0.00 C ATOM 191 CG GLU A 12 -6.067 0.482 7.900 1.00 0.00 C ATOM 192 CD GLU A 12 -4.991 1.106 8.782 1.00 0.00 C ATOM 193 OE1 GLU A 12 -4.042 0.412 9.106 1.00 0.00 O ATOM 194 OE2 GLU A 12 -5.132 2.269 9.121 1.00 0.00 O ATOM 0 H GLU A 12 -7.944 -1.434 8.622 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.108 -1.004 5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.603 -1.518 8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.797 -1.067 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.136 1.024 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.039 0.563 8.386 1.00 0.00 H new ATOM 201 N ARG A 13 -6.299 -3.948 7.251 1.00 0.00 N ATOM 202 CA ARG A 13 -5.892 -5.302 6.892 1.00 0.00 C ATOM 203 C ARG A 13 -7.007 -6.019 6.137 1.00 0.00 C ATOM 204 O ARG A 13 -6.751 -6.780 5.204 1.00 0.00 O ATOM 205 CB ARG A 13 -5.527 -6.094 8.147 1.00 0.00 C ATOM 206 CG ARG A 13 -4.209 -5.566 8.719 1.00 0.00 C ATOM 207 CD ARG A 13 -3.836 -6.368 9.966 1.00 0.00 C ATOM 208 NE ARG A 13 -2.581 -5.877 10.524 1.00 0.00 N ATOM 209 CZ ARG A 13 -1.409 -6.311 10.068 1.00 0.00 C ATOM 210 NH1 ARG A 13 -1.370 -7.191 9.104 1.00 0.00 N ATOM 211 NH2 ARG A 13 -0.299 -5.859 10.584 1.00 0.00 N ATOM 0 H ARG A 13 -6.471 -3.806 8.246 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.019 -5.234 6.244 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.320 -6.004 8.890 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.433 -7.153 7.907 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.419 -5.646 7.973 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.306 -4.509 8.969 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.629 -6.288 10.710 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.742 -7.424 9.713 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.602 -5.189 11.277 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.238 -7.545 8.701 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.472 -7.524 8.754 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.329 -5.172 11.338 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.599 -6.192 10.234 1.00 0.00 H new ATOM 225 N ALA A 14 -8.243 -5.775 6.554 1.00 0.00 N ATOM 226 CA ALA A 14 -9.396 -6.404 5.920 1.00 0.00 C ATOM 227 C ALA A 14 -9.686 -5.759 4.569 1.00 0.00 C ATOM 228 O ALA A 14 -10.507 -6.255 3.798 1.00 0.00 O ATOM 229 CB ALA A 14 -10.626 -6.278 6.822 1.00 0.00 C ATOM 0 H ALA A 14 -8.473 -5.149 7.325 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.167 -7.458 5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.481 -6.751 6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.430 -6.769 7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.844 -5.224 6.995 1.00 0.00 H new ATOM 235 N LYS A 15 -9.013 -4.647 4.292 1.00 0.00 N ATOM 236 CA LYS A 15 -9.221 -3.941 3.035 1.00 0.00 C ATOM 237 C LYS A 15 -8.957 -4.861 1.853 1.00 0.00 C ATOM 238 O LYS A 15 -9.747 -4.910 0.912 1.00 0.00 O ATOM 239 CB LYS A 15 -8.283 -2.737 2.957 1.00 0.00 C ATOM 240 CG LYS A 15 -8.590 -1.933 1.691 1.00 0.00 C ATOM 241 CD LYS A 15 -7.740 -0.656 1.681 1.00 0.00 C ATOM 242 CE LYS A 15 -6.253 -1.012 1.520 1.00 0.00 C ATOM 243 NZ LYS A 15 -5.670 -1.306 2.859 1.00 0.00 N ATOM 0 H LYS A 15 -8.327 -4.220 4.914 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.257 -3.605 2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.406 -2.108 3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.245 -3.071 2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.377 -2.532 0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.649 -1.678 1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.057 -0.006 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.891 -0.102 2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.143 -1.876 0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.718 -0.186 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.840 -0.699 3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.380 -1.120 3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.382 -2.304 2.900 1.00 0.00 H new ATOM 257 N VAL A 16 -7.850 -5.596 1.910 1.00 0.00 N ATOM 258 CA VAL A 16 -7.500 -6.524 0.838 1.00 0.00 C ATOM 259 C VAL A 16 -7.821 -5.915 -0.527 1.00 0.00 C ATOM 260 O VAL A 16 -7.135 -5.003 -0.987 1.00 0.00 O ATOM 261 CB VAL A 16 -8.262 -7.842 1.015 1.00 0.00 C ATOM 262 CG1 VAL A 16 -7.747 -8.877 0.003 1.00 0.00 C ATOM 263 CG2 VAL A 16 -8.054 -8.364 2.435 1.00 0.00 C ATOM 0 H VAL A 16 -7.183 -5.568 2.682 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.429 -6.721 0.887 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.325 -7.671 0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.291 -9.813 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.901 -8.504 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.684 -9.050 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.596 -9.301 2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.991 -8.533 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.426 -7.631 3.150 1.00 0.00 H new ATOM 273 N PHE A 17 -8.875 -6.421 -1.168 1.00 0.00 N ATOM 274 CA PHE A 17 -9.287 -5.920 -2.471 1.00 0.00 C ATOM 275 C PHE A 17 -10.796 -6.063 -2.642 1.00 0.00 C ATOM 276 O PHE A 17 -11.417 -6.939 -2.042 1.00 0.00 O ATOM 277 CB PHE A 17 -8.569 -6.693 -3.573 1.00 0.00 C ATOM 278 CG PHE A 17 -7.077 -6.490 -3.438 1.00 0.00 C ATOM 279 CD1 PHE A 17 -6.513 -5.241 -3.729 1.00 0.00 C ATOM 280 CD2 PHE A 17 -6.258 -7.546 -3.021 1.00 0.00 C ATOM 281 CE1 PHE A 17 -5.131 -5.051 -3.607 1.00 0.00 C ATOM 282 CE2 PHE A 17 -4.877 -7.356 -2.900 1.00 0.00 C ATOM 283 CZ PHE A 17 -4.314 -6.108 -3.190 1.00 0.00 C ATOM 0 H PHE A 17 -9.456 -7.176 -0.803 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.024 -4.864 -2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.810 -7.754 -3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.907 -6.351 -4.551 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.144 -4.425 -4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.692 -8.508 -2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.696 -4.089 -3.835 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.245 -8.173 -2.583 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.249 -5.961 -3.092 1.00 0.00 H new ATOM 293 N ALA A 18 -11.376 -5.193 -3.463 1.00 0.00 N ATOM 294 CA ALA A 18 -12.815 -5.227 -3.713 1.00 0.00 C ATOM 295 C ALA A 18 -13.580 -5.487 -2.423 1.00 0.00 C ATOM 296 O ALA A 18 -13.918 -6.631 -2.111 1.00 0.00 O ATOM 297 CB ALA A 18 -13.141 -6.319 -4.730 1.00 0.00 C ATOM 0 H ALA A 18 -10.876 -4.459 -3.965 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.117 -4.258 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.216 -6.338 -4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.619 -6.113 -5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.821 -7.286 -4.341 1.00 0.00 H new ATOM 303 N LYS A 19 -13.830 -4.420 -1.663 1.00 0.00 N ATOM 304 CA LYS A 19 -14.525 -4.563 -0.399 1.00 0.00 C ATOM 305 C LYS A 19 -15.748 -5.473 -0.562 1.00 0.00 C ATOM 306 O LYS A 19 -16.731 -5.091 -1.193 1.00 0.00 O ATOM 307 CB LYS A 19 -14.968 -3.184 0.123 1.00 0.00 C ATOM 308 CG LYS A 19 -13.977 -2.690 1.195 1.00 0.00 C ATOM 309 CD LYS A 19 -12.606 -2.415 0.547 1.00 0.00 C ATOM 310 CE LYS A 19 -12.593 -1.002 -0.038 1.00 0.00 C ATOM 311 NZ LYS A 19 -11.257 -0.718 -0.613 1.00 0.00 N ATOM 0 H LYS A 19 -13.564 -3.465 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 19 -13.842 -5.014 0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.014 -2.471 -0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.971 -3.249 0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.357 -1.783 1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -13.875 -3.437 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.814 -2.521 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.409 -3.146 -0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.359 -0.908 -0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.829 -0.274 0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.334 0.056 -1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.604 -0.441 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.895 -1.570 -1.087 1.00 0.00 H new ATOM 325 N PRO A 20 -15.713 -6.647 0.021 1.00 0.00 N ATOM 326 CA PRO A 20 -16.855 -7.603 -0.044 1.00 0.00 C ATOM 327 C PRO A 20 -18.154 -6.973 0.466 1.00 0.00 C ATOM 328 O PRO A 20 -18.144 -6.149 1.383 1.00 0.00 O ATOM 329 CB PRO A 20 -16.410 -8.760 0.870 1.00 0.00 C ATOM 330 CG PRO A 20 -14.919 -8.674 0.924 1.00 0.00 C ATOM 331 CD PRO A 20 -14.574 -7.210 0.766 1.00 0.00 C ATOM 0 HA PRO A 20 -17.072 -7.920 -1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -16.845 -8.664 1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.734 -9.722 0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.541 -9.063 1.869 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.466 -9.268 0.131 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.452 -6.723 1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -13.639 -7.078 0.222 1.00 0.00 H new ATOM 339 N ILE A 21 -19.268 -7.374 -0.132 1.00 0.00 N ATOM 340 CA ILE A 21 -20.570 -6.856 0.268 1.00 0.00 C ATOM 341 C ILE A 21 -20.912 -7.304 1.686 1.00 0.00 C ATOM 342 O ILE A 21 -20.678 -8.453 2.058 1.00 0.00 O ATOM 343 CB ILE A 21 -21.648 -7.348 -0.697 1.00 0.00 C ATOM 344 CG1 ILE A 21 -22.998 -6.747 -0.298 1.00 0.00 C ATOM 345 CG2 ILE A 21 -21.731 -8.874 -0.638 1.00 0.00 C ATOM 346 CD1 ILE A 21 -24.006 -6.959 -1.429 1.00 0.00 C ATOM 0 H ILE A 21 -19.297 -8.053 -0.892 1.00 0.00 H new ATOM 0 HA ILE A 21 -20.530 -5.767 0.242 1.00 0.00 H new ATOM 0 HB ILE A 21 -21.396 -7.039 -1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -23.360 -7.214 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -22.887 -5.683 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -22.500 -9.223 -1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -20.769 -9.302 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -21.983 -9.186 0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -24.967 -6.531 -1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -23.645 -6.471 -2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -24.125 -8.026 -1.615 1.00 0.00 H new ATOM 358 N GLY A 22 -21.465 -6.386 2.473 1.00 0.00 N ATOM 359 CA GLY A 22 -21.834 -6.696 3.849 1.00 0.00 C ATOM 360 C GLY A 22 -23.111 -7.525 3.897 1.00 0.00 C ATOM 361 O GLY A 22 -23.869 -7.572 2.928 1.00 0.00 O ATOM 0 H GLY A 22 -21.666 -5.429 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -21.024 -7.241 4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.975 -5.771 4.409 1.00 0.00 H new ATOM 365 N ALA A 23 -23.344 -8.180 5.030 1.00 0.00 N ATOM 366 CA ALA A 23 -24.534 -9.008 5.191 1.00 0.00 C ATOM 367 C ALA A 23 -24.772 -9.323 6.665 1.00 0.00 C ATOM 368 O ALA A 23 -24.663 -8.446 7.519 1.00 0.00 O ATOM 369 CB ALA A 23 -24.378 -10.312 4.400 1.00 0.00 C ATOM 0 H ALA A 23 -22.730 -8.154 5.844 1.00 0.00 H new ATOM 0 HA ALA A 23 -25.393 -8.456 4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.271 -10.923 4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -24.242 -10.082 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -23.509 -10.859 4.767 1.00 0.00 H new ATOM 375 N SER A 24 -25.104 -10.578 6.952 1.00 0.00 N ATOM 376 CA SER A 24 -25.360 -10.998 8.325 1.00 0.00 C ATOM 377 C SER A 24 -24.050 -11.250 9.067 1.00 0.00 C ATOM 378 O SER A 24 -24.016 -11.270 10.297 1.00 0.00 O ATOM 379 CB SER A 24 -26.201 -12.274 8.329 1.00 0.00 C ATOM 380 OG SER A 24 -26.542 -12.605 9.668 1.00 0.00 O ATOM 0 H SER A 24 -25.202 -11.318 6.257 1.00 0.00 H new ATOM 0 HA SER A 24 -25.902 -10.200 8.832 1.00 0.00 H new ATOM 0 HB2 SER A 24 -27.104 -12.130 7.736 1.00 0.00 H new ATOM 0 HB3 SER A 24 -25.645 -13.092 7.870 1.00 0.00 H new ATOM 0 HG SER A 24 -25.834 -12.296 10.272 1.00 0.00 H new ATOM 386 N TYR A 25 -22.978 -11.453 8.311 1.00 0.00 N ATOM 387 CA TYR A 25 -21.672 -11.715 8.907 1.00 0.00 C ATOM 388 C TYR A 25 -21.064 -10.428 9.460 1.00 0.00 C ATOM 389 O TYR A 25 -20.127 -10.463 10.259 1.00 0.00 O ATOM 390 CB TYR A 25 -20.732 -12.332 7.864 1.00 0.00 C ATOM 391 CG TYR A 25 -20.255 -11.261 6.908 1.00 0.00 C ATOM 392 CD1 TYR A 25 -19.207 -10.414 7.278 1.00 0.00 C ATOM 393 CD2 TYR A 25 -20.864 -11.116 5.659 1.00 0.00 C ATOM 394 CE1 TYR A 25 -18.769 -9.417 6.402 1.00 0.00 C ATOM 395 CE2 TYR A 25 -20.427 -10.120 4.779 1.00 0.00 C ATOM 396 CZ TYR A 25 -19.379 -9.269 5.150 1.00 0.00 C ATOM 397 OH TYR A 25 -18.945 -8.288 4.284 1.00 0.00 O ATOM 0 H TYR A 25 -22.985 -11.442 7.291 1.00 0.00 H new ATOM 0 HA TYR A 25 -21.804 -12.418 9.730 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -19.879 -12.797 8.359 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -21.249 -13.119 7.315 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -18.735 -10.530 8.242 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -21.672 -11.773 5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -17.961 -8.761 6.690 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -20.898 -10.008 3.814 1.00 0.00 H new ATOM 0 HH TYR A 25 -19.418 -8.373 3.430 1.00 0.00 H new ATOM 407 N GLN A 26 -21.589 -9.294 9.012 1.00 0.00 N ATOM 408 CA GLN A 26 -21.076 -8.002 9.451 1.00 0.00 C ATOM 409 C GLN A 26 -21.167 -7.884 10.969 1.00 0.00 C ATOM 410 O GLN A 26 -20.473 -7.072 11.580 1.00 0.00 O ATOM 411 CB GLN A 26 -21.882 -6.875 8.795 1.00 0.00 C ATOM 412 CG GLN A 26 -23.278 -6.809 9.421 1.00 0.00 C ATOM 413 CD GLN A 26 -24.207 -5.982 8.544 1.00 0.00 C ATOM 414 OE1 GLN A 26 -23.882 -5.691 7.393 1.00 0.00 O ATOM 415 NE2 GLN A 26 -25.356 -5.586 9.020 1.00 0.00 N ATOM 0 H GLN A 26 -22.363 -9.242 8.350 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.030 -7.920 9.154 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.368 -5.923 8.927 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -21.962 -7.048 7.722 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -23.679 -7.815 9.541 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -23.218 -6.369 10.416 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -25.624 -5.828 9.974 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -25.986 -5.034 8.438 1.00 0.00 H new ATOM 424 N GLY A 27 -22.026 -8.699 11.566 1.00 0.00 N ATOM 425 CA GLY A 27 -22.202 -8.680 13.014 1.00 0.00 C ATOM 426 C GLY A 27 -20.862 -8.817 13.725 1.00 0.00 C ATOM 427 O GLY A 27 -20.727 -8.448 14.892 1.00 0.00 O ATOM 0 H GLY A 27 -22.609 -9.377 11.075 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -22.684 -7.750 13.314 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.863 -9.493 13.315 1.00 0.00 H new ATOM 431 N ILE A 28 -19.873 -9.344 13.014 1.00 0.00 N ATOM 432 CA ILE A 28 -18.543 -9.522 13.584 1.00 0.00 C ATOM 433 C ILE A 28 -17.884 -8.171 13.832 1.00 0.00 C ATOM 434 O ILE A 28 -16.999 -8.048 14.678 1.00 0.00 O ATOM 435 CB ILE A 28 -17.672 -10.354 12.640 1.00 0.00 C ATOM 436 CG1 ILE A 28 -16.357 -10.710 13.340 1.00 0.00 C ATOM 437 CG2 ILE A 28 -17.373 -9.550 11.373 1.00 0.00 C ATOM 438 CD1 ILE A 28 -15.605 -11.754 12.513 1.00 0.00 C ATOM 0 H ILE A 28 -19.965 -9.654 12.047 1.00 0.00 H new ATOM 0 HA ILE A 28 -18.644 -10.045 14.535 1.00 0.00 H new ATOM 0 HB ILE A 28 -18.202 -11.268 12.371 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -15.744 -9.817 13.462 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -16.558 -11.098 14.339 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -16.753 -10.145 10.703 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -18.308 -9.297 10.873 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -16.845 -8.634 11.639 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -14.669 -12.007 13.011 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -16.218 -12.650 12.414 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.392 -11.350 11.524 1.00 0.00 H new ATOM 450 N LEU A 29 -18.313 -7.159 13.079 1.00 0.00 N ATOM 451 CA LEU A 29 -17.750 -5.824 13.219 1.00 0.00 C ATOM 452 C LEU A 29 -18.546 -5.012 14.231 1.00 0.00 C ATOM 453 O LEU A 29 -18.007 -4.114 14.880 1.00 0.00 O ATOM 454 CB LEU A 29 -17.769 -5.111 11.866 1.00 0.00 C ATOM 455 CG LEU A 29 -16.864 -3.868 11.925 1.00 0.00 C ATOM 456 CD1 LEU A 29 -15.389 -4.277 11.766 1.00 0.00 C ATOM 457 CD2 LEU A 29 -17.246 -2.899 10.802 1.00 0.00 C ATOM 0 H LEU A 29 -19.043 -7.240 12.372 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.723 -5.916 13.571 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -17.425 -5.787 11.083 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -18.788 -4.820 11.611 1.00 0.00 H new ATOM 0 HG LEU A 29 -16.998 -3.381 12.891 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.758 -3.389 11.809 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.112 -4.959 12.570 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -15.251 -4.774 10.806 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -16.604 -2.020 10.846 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -17.121 -3.392 9.838 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -18.286 -2.595 10.922 1.00 0.00 H new ATOM 469 N ASP A 30 -19.824 -5.336 14.367 1.00 0.00 N ATOM 470 CA ASP A 30 -20.683 -4.632 15.312 1.00 0.00 C ATOM 471 C ASP A 30 -20.166 -4.804 16.738 1.00 0.00 C ATOM 472 O ASP A 30 -20.162 -3.856 17.525 1.00 0.00 O ATOM 473 CB ASP A 30 -22.111 -5.171 15.218 1.00 0.00 C ATOM 474 CG ASP A 30 -22.751 -4.724 13.909 1.00 0.00 C ATOM 475 OD1 ASP A 30 -22.231 -3.802 13.302 1.00 0.00 O ATOM 476 OD2 ASP A 30 -23.753 -5.308 13.533 1.00 0.00 O ATOM 0 H ASP A 30 -20.288 -6.076 13.840 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.676 -3.571 15.061 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.102 -6.259 15.275 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -22.700 -4.812 16.062 1.00 0.00 H new ATOM 481 N GLN A 31 -19.734 -6.020 17.064 1.00 0.00 N ATOM 482 CA GLN A 31 -19.219 -6.304 18.398 1.00 0.00 C ATOM 483 C GLN A 31 -17.939 -5.522 18.648 1.00 0.00 C ATOM 484 O GLN A 31 -17.739 -4.980 19.721 1.00 0.00 O ATOM 485 CB GLN A 31 -18.940 -7.803 18.551 1.00 0.00 C ATOM 486 CG GLN A 31 -20.264 -8.565 18.559 1.00 0.00 C ATOM 487 CD GLN A 31 -20.002 -10.058 18.726 1.00 0.00 C ATOM 488 OE1 GLN A 31 -20.616 -10.911 17.952 1.00 0.00 O flip ATOM 489 NE2 GLN A 31 -19.219 -10.459 19.586 1.00 0.00 N flip ATOM 0 H GLN A 31 -19.731 -6.817 16.428 1.00 0.00 H new ATOM 0 HA GLN A 31 -19.971 -6.002 19.127 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -18.311 -8.153 17.733 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -18.394 -7.990 19.475 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -20.896 -8.205 19.371 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -20.804 -8.383 17.630 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -18.740 -9.792 20.190 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -19.049 -11.459 19.695 1.00 0.00 H new ATOM 498 N LEU A 32 -17.067 -5.470 17.656 1.00 0.00 N ATOM 499 CA LEU A 32 -15.805 -4.760 17.816 1.00 0.00 C ATOM 500 C LEU A 32 -16.049 -3.293 18.146 1.00 0.00 C ATOM 501 O LEU A 32 -15.408 -2.733 19.036 1.00 0.00 O ATOM 502 CB LEU A 32 -14.998 -4.862 16.511 1.00 0.00 C ATOM 503 CG LEU A 32 -14.293 -6.231 16.439 1.00 0.00 C ATOM 504 CD1 LEU A 32 -14.003 -6.592 14.976 1.00 0.00 C ATOM 505 CD2 LEU A 32 -12.969 -6.179 17.232 1.00 0.00 C ATOM 0 H LEU A 32 -17.204 -5.903 16.743 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.250 -5.213 18.637 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.659 -4.737 15.653 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.261 -4.060 16.465 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.944 -6.990 16.873 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.505 -7.560 14.932 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.940 -6.640 14.421 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.358 -5.832 14.535 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.474 -7.149 17.178 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.319 -5.416 16.805 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.178 -5.936 18.274 1.00 0.00 H new ATOM 517 N ASP A 33 -16.979 -2.680 17.432 1.00 0.00 N ATOM 518 CA ASP A 33 -17.305 -1.282 17.669 1.00 0.00 C ATOM 519 C ASP A 33 -17.992 -1.115 19.022 1.00 0.00 C ATOM 520 O ASP A 33 -17.648 -0.229 19.803 1.00 0.00 O ATOM 521 CB ASP A 33 -18.214 -0.759 16.559 1.00 0.00 C ATOM 522 CG ASP A 33 -17.427 -0.642 15.259 1.00 0.00 C ATOM 523 OD1 ASP A 33 -16.212 -0.739 15.313 1.00 0.00 O ATOM 524 OD2 ASP A 33 -18.051 -0.462 14.227 1.00 0.00 O ATOM 0 H ASP A 33 -17.518 -3.124 16.689 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.379 -0.708 17.673 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.061 -1.432 16.423 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.621 0.213 16.837 1.00 0.00 H new ATOM 529 N LEU A 34 -18.988 -1.961 19.279 1.00 0.00 N ATOM 530 CA LEU A 34 -19.734 -1.887 20.531 1.00 0.00 C ATOM 531 C LEU A 34 -18.852 -2.232 21.719 1.00 0.00 C ATOM 532 O LEU A 34 -18.892 -1.565 22.752 1.00 0.00 O ATOM 533 CB LEU A 34 -20.923 -2.849 20.481 1.00 0.00 C ATOM 534 CG LEU A 34 -21.950 -2.348 19.451 1.00 0.00 C ATOM 535 CD1 LEU A 34 -22.995 -3.441 19.202 1.00 0.00 C ATOM 536 CD2 LEU A 34 -22.647 -1.071 19.964 1.00 0.00 C ATOM 0 H LEU A 34 -19.294 -2.698 18.644 1.00 0.00 H new ATOM 0 HA LEU A 34 -20.089 -0.864 20.654 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.583 -3.849 20.213 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -21.386 -2.922 21.465 1.00 0.00 H new ATOM 0 HG LEU A 34 -21.433 -2.114 18.520 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -23.724 -3.088 18.472 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -22.502 -4.335 18.820 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -23.503 -3.678 20.137 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -23.371 -0.729 19.224 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -23.161 -1.288 20.900 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.903 -0.292 20.131 1.00 0.00 H new ATOM 548 N VAL A 35 -18.065 -3.286 21.568 1.00 0.00 N ATOM 549 CA VAL A 35 -17.179 -3.722 22.639 1.00 0.00 C ATOM 550 C VAL A 35 -16.205 -2.613 23.011 1.00 0.00 C ATOM 551 O VAL A 35 -15.668 -2.589 24.118 1.00 0.00 O ATOM 552 CB VAL A 35 -16.404 -4.973 22.207 1.00 0.00 C ATOM 553 CG1 VAL A 35 -15.259 -5.250 23.196 1.00 0.00 C ATOM 554 CG2 VAL A 35 -17.360 -6.174 22.180 1.00 0.00 C ATOM 0 H VAL A 35 -18.021 -3.853 20.721 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.786 -3.962 23.512 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.984 -4.812 21.214 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.714 -6.140 22.882 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.581 -4.397 23.215 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.670 -5.409 24.193 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.814 -7.066 21.873 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.779 -6.328 23.175 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.167 -5.981 21.473 1.00 0.00 H new ATOM 564 N HIS A 36 -15.977 -1.694 22.083 1.00 0.00 N ATOM 565 CA HIS A 36 -15.058 -0.590 22.327 1.00 0.00 C ATOM 566 C HIS A 36 -15.673 0.385 23.324 1.00 0.00 C ATOM 567 O HIS A 36 -14.976 0.934 24.173 1.00 0.00 O ATOM 568 CB HIS A 36 -14.758 0.139 21.017 1.00 0.00 C ATOM 569 CG HIS A 36 -13.695 1.176 21.253 1.00 0.00 C ATOM 570 ND1 HIS A 36 -12.363 0.840 21.425 1.00 0.00 N ATOM 571 CD2 HIS A 36 -13.754 2.543 21.346 1.00 0.00 C ATOM 572 CE1 HIS A 36 -11.678 1.983 21.612 1.00 0.00 C ATOM 573 NE2 HIS A 36 -12.478 3.051 21.574 1.00 0.00 N ATOM 0 H HIS A 36 -16.412 -1.690 21.160 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.130 -0.988 22.737 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.426 -0.572 20.260 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -15.663 0.611 20.635 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -14.653 3.135 21.256 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.611 2.031 21.773 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -12.212 4.029 21.688 1.00 0.00 H new ATOM 581 N GLN A 37 -16.982 0.584 23.221 1.00 0.00 N ATOM 582 CA GLN A 37 -17.681 1.485 24.127 1.00 0.00 C ATOM 583 C GLN A 37 -18.132 0.738 25.379 1.00 0.00 C ATOM 584 O GLN A 37 -18.551 1.355 26.360 1.00 0.00 O ATOM 585 CB GLN A 37 -18.900 2.090 23.427 1.00 0.00 C ATOM 586 CG GLN A 37 -19.680 2.983 24.416 1.00 0.00 C ATOM 587 CD GLN A 37 -20.743 2.161 25.141 1.00 0.00 C ATOM 588 OE1 GLN A 37 -20.777 2.129 26.373 1.00 0.00 O ATOM 589 NE2 GLN A 37 -21.609 1.481 24.444 1.00 0.00 N ATOM 0 H GLN A 37 -17.577 0.136 22.524 1.00 0.00 H new ATOM 0 HA GLN A 37 -16.996 2.282 24.417 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -18.582 2.677 22.565 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -19.546 1.297 23.051 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -18.994 3.423 25.140 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -20.150 3.808 23.880 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -21.578 1.509 23.425 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -22.317 0.920 24.918 1.00 0.00 H new ATOM 598 N ALA A 38 -18.048 -0.594 25.342 1.00 0.00 N ATOM 599 CA ALA A 38 -18.458 -1.403 26.480 1.00 0.00 C ATOM 600 C ALA A 38 -17.485 -1.233 27.636 1.00 0.00 C ATOM 601 O ALA A 38 -16.307 -0.932 27.432 1.00 0.00 O ATOM 602 CB ALA A 38 -18.519 -2.873 26.070 1.00 0.00 C ATOM 0 H ALA A 38 -17.703 -1.126 24.543 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.445 -1.073 26.805 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -18.826 -3.477 26.924 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -19.239 -2.996 25.261 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -17.535 -3.198 25.732 1.00 0.00 H new ATOM 608 N LYS A 39 -17.983 -1.422 28.854 1.00 0.00 N ATOM 609 CA LYS A 39 -17.146 -1.287 30.034 1.00 0.00 C ATOM 610 C LYS A 39 -17.745 -2.061 31.201 1.00 0.00 C ATOM 611 O LYS A 39 -18.960 -2.081 31.384 1.00 0.00 O ATOM 612 CB LYS A 39 -17.014 0.191 30.416 1.00 0.00 C ATOM 613 CG LYS A 39 -16.130 0.342 31.666 1.00 0.00 C ATOM 614 CD LYS A 39 -14.712 -0.172 31.361 1.00 0.00 C ATOM 615 CE LYS A 39 -13.721 0.446 32.336 1.00 0.00 C ATOM 616 NZ LYS A 39 -13.645 1.914 32.089 1.00 0.00 N ATOM 0 H LYS A 39 -18.954 -1.667 29.046 1.00 0.00 H new ATOM 0 HA LYS A 39 -16.160 -1.693 29.807 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -16.582 0.751 29.587 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.000 0.614 30.606 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.091 1.387 31.972 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.559 -0.217 32.497 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.684 -1.259 31.439 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.436 0.081 30.337 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.033 0.253 33.362 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.738 -0.008 32.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.680 2.250 32.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.885 2.112 31.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.316 2.406 32.712 1.00 0.00 H new ATOM 630 N GLY A 40 -16.879 -2.691 31.997 1.00 0.00 N ATOM 631 CA GLY A 40 -17.329 -3.463 33.157 1.00 0.00 C ATOM 632 C GLY A 40 -17.188 -4.957 32.894 1.00 0.00 C ATOM 633 O GLY A 40 -16.302 -5.386 32.154 1.00 0.00 O ATOM 0 H GLY A 40 -15.868 -2.682 31.861 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.744 -3.186 34.034 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -18.369 -3.224 33.379 1.00 0.00 H new ATOM 637 N ARG A 41 -18.066 -5.742 33.506 1.00 0.00 N ATOM 638 CA ARG A 41 -18.034 -7.190 33.333 1.00 0.00 C ATOM 639 C ARG A 41 -18.451 -7.574 31.918 1.00 0.00 C ATOM 640 O ARG A 41 -18.038 -8.612 31.399 1.00 0.00 O ATOM 641 CB ARG A 41 -18.968 -7.852 34.347 1.00 0.00 C ATOM 642 CG ARG A 41 -20.396 -7.355 34.125 1.00 0.00 C ATOM 643 CD ARG A 41 -21.311 -7.921 35.213 1.00 0.00 C ATOM 644 NE ARG A 41 -20.943 -7.369 36.513 1.00 0.00 N ATOM 645 CZ ARG A 41 -21.590 -7.726 37.618 1.00 0.00 C ATOM 646 NH1 ARG A 41 -22.574 -8.580 37.551 1.00 0.00 N ATOM 647 NH2 ARG A 41 -21.243 -7.219 38.771 1.00 0.00 N ATOM 0 H ARG A 41 -18.805 -5.404 34.123 1.00 0.00 H new ATOM 0 HA ARG A 41 -17.014 -7.537 33.498 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -18.928 -8.936 34.240 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.644 -7.619 35.361 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -20.420 -6.265 34.146 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -20.750 -7.663 33.141 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -22.350 -7.680 34.987 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -21.234 -9.008 35.235 1.00 0.00 H new ATOM 0 HE ARG A 41 -20.177 -6.698 36.575 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -22.847 -8.974 36.651 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -23.070 -8.854 38.399 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -20.476 -6.549 38.823 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -21.740 -7.493 39.619 1.00 0.00 H new ATOM 661 N ASP A 42 -19.268 -6.730 31.298 1.00 0.00 N ATOM 662 CA ASP A 42 -19.733 -6.991 29.942 1.00 0.00 C ATOM 663 C ASP A 42 -18.574 -6.922 28.952 1.00 0.00 C ATOM 664 O ASP A 42 -18.534 -7.670 27.976 1.00 0.00 O ATOM 665 CB ASP A 42 -20.801 -5.969 29.551 1.00 0.00 C ATOM 666 CG ASP A 42 -20.242 -4.557 29.674 1.00 0.00 C ATOM 667 OD1 ASP A 42 -19.187 -4.408 30.266 1.00 0.00 O ATOM 668 OD2 ASP A 42 -20.879 -3.643 29.174 1.00 0.00 O ATOM 0 H ASP A 42 -19.620 -5.865 31.709 1.00 0.00 H new ATOM 0 HA ASP A 42 -20.160 -7.993 29.913 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -21.132 -6.150 28.528 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -21.675 -6.080 30.193 1.00 0.00 H new ATOM 673 N GLN A 43 -17.637 -6.016 29.207 1.00 0.00 N ATOM 674 CA GLN A 43 -16.485 -5.855 28.325 1.00 0.00 C ATOM 675 C GLN A 43 -15.607 -7.097 28.359 1.00 0.00 C ATOM 676 O GLN A 43 -15.092 -7.527 27.332 1.00 0.00 O ATOM 677 CB GLN A 43 -15.670 -4.635 28.759 1.00 0.00 C ATOM 678 CG GLN A 43 -14.689 -4.252 27.650 1.00 0.00 C ATOM 679 CD GLN A 43 -13.941 -2.980 28.033 1.00 0.00 C ATOM 680 OE1 GLN A 43 -14.038 -1.970 27.337 1.00 0.00 O ATOM 681 NE2 GLN A 43 -13.187 -2.971 29.098 1.00 0.00 N ATOM 0 H GLN A 43 -17.650 -5.386 30.009 1.00 0.00 H new ATOM 0 HA GLN A 43 -16.844 -5.710 27.306 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -16.335 -3.799 28.975 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -15.127 -4.856 29.678 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.981 -5.064 27.483 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.226 -4.100 26.714 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.108 -3.809 29.674 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.677 -2.126 29.355 1.00 0.00 H new ATOM 690 N ILE A 44 -15.445 -7.671 29.539 1.00 0.00 N ATOM 691 CA ILE A 44 -14.632 -8.867 29.694 1.00 0.00 C ATOM 692 C ILE A 44 -15.256 -10.032 28.931 1.00 0.00 C ATOM 693 O ILE A 44 -14.560 -10.792 28.259 1.00 0.00 O ATOM 694 CB ILE A 44 -14.497 -9.228 31.174 1.00 0.00 C ATOM 695 CG1 ILE A 44 -13.671 -8.155 31.886 1.00 0.00 C ATOM 696 CG2 ILE A 44 -13.796 -10.582 31.313 1.00 0.00 C ATOM 697 CD1 ILE A 44 -13.809 -8.327 33.401 1.00 0.00 C ATOM 0 H ILE A 44 -15.865 -7.329 30.403 1.00 0.00 H new ATOM 0 HA ILE A 44 -13.641 -8.667 29.287 1.00 0.00 H new ATOM 0 HB ILE A 44 -15.489 -9.286 31.623 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -12.624 -8.234 31.594 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.011 -7.163 31.589 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -13.701 -10.836 32.369 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -14.382 -11.349 30.806 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -12.805 -10.526 30.863 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.221 -7.563 33.909 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.857 -8.227 33.685 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.448 -9.314 33.689 1.00 0.00 H new ATOM 709 N ALA A 45 -16.573 -10.164 29.041 1.00 0.00 N ATOM 710 CA ALA A 45 -17.281 -11.241 28.358 1.00 0.00 C ATOM 711 C ALA A 45 -17.021 -11.184 26.854 1.00 0.00 C ATOM 712 O ALA A 45 -17.067 -12.205 26.172 1.00 0.00 O ATOM 713 CB ALA A 45 -18.784 -11.123 28.621 1.00 0.00 C ATOM 0 H ALA A 45 -17.168 -9.545 29.591 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.916 -12.193 28.743 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.308 -11.930 28.108 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.972 -11.191 29.692 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -19.144 -10.164 28.250 1.00 0.00 H new ATOM 719 N ALA A 46 -16.732 -9.986 26.351 1.00 0.00 N ATOM 720 CA ALA A 46 -16.456 -9.806 24.932 1.00 0.00 C ATOM 721 C ALA A 46 -15.239 -10.616 24.530 1.00 0.00 C ATOM 722 O ALA A 46 -15.205 -11.212 23.449 1.00 0.00 O ATOM 723 CB ALA A 46 -16.216 -8.330 24.631 1.00 0.00 C ATOM 0 H ALA A 46 -16.683 -9.130 26.904 1.00 0.00 H new ATOM 0 HA ALA A 46 -17.317 -10.152 24.360 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -16.010 -8.204 23.568 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.102 -7.755 24.900 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.364 -7.975 25.210 1.00 0.00 H new ATOM 729 N SER A 47 -14.239 -10.636 25.404 1.00 0.00 N ATOM 730 CA SER A 47 -13.018 -11.388 25.118 1.00 0.00 C ATOM 731 C SER A 47 -13.315 -12.878 24.971 1.00 0.00 C ATOM 732 O SER A 47 -12.848 -13.526 24.034 1.00 0.00 O ATOM 733 CB SER A 47 -11.997 -11.183 26.233 1.00 0.00 C ATOM 734 OG SER A 47 -10.992 -12.185 26.153 1.00 0.00 O ATOM 0 H SER A 47 -14.245 -10.151 26.301 1.00 0.00 H new ATOM 0 HA SER A 47 -12.610 -11.017 24.178 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.546 -10.194 26.149 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.491 -11.226 27.204 1.00 0.00 H new ATOM 0 HG SER A 47 -10.337 -12.049 26.869 1.00 0.00 H new ATOM 740 N PHE A 48 -14.098 -13.410 25.899 1.00 0.00 N ATOM 741 CA PHE A 48 -14.459 -14.822 25.862 1.00 0.00 C ATOM 742 C PHE A 48 -15.276 -15.135 24.614 1.00 0.00 C ATOM 743 O PHE A 48 -15.065 -16.158 23.963 1.00 0.00 O ATOM 744 CB PHE A 48 -15.265 -15.190 27.113 1.00 0.00 C ATOM 745 CG PHE A 48 -14.343 -15.256 28.307 1.00 0.00 C ATOM 746 CD1 PHE A 48 -13.632 -16.432 28.573 1.00 0.00 C ATOM 747 CD2 PHE A 48 -14.204 -14.148 29.150 1.00 0.00 C ATOM 748 CE1 PHE A 48 -12.775 -16.498 29.677 1.00 0.00 C ATOM 749 CE2 PHE A 48 -13.346 -14.213 30.255 1.00 0.00 C ATOM 750 CZ PHE A 48 -12.635 -15.389 30.521 1.00 0.00 C ATOM 0 H PHE A 48 -14.494 -12.890 26.682 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.542 -15.411 25.837 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -16.047 -14.450 27.285 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.760 -16.150 26.970 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -13.745 -17.289 27.926 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -14.758 -13.243 28.949 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.222 -17.403 29.878 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.233 -13.356 30.902 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.979 -15.441 31.377 1.00 0.00 H new ATOM 760 N GLU A 49 -16.212 -14.249 24.288 1.00 0.00 N ATOM 761 CA GLU A 49 -17.057 -14.445 23.116 1.00 0.00 C ATOM 762 C GLU A 49 -16.229 -14.350 21.839 1.00 0.00 C ATOM 763 O GLU A 49 -16.275 -15.238 20.988 1.00 0.00 O ATOM 764 CB GLU A 49 -18.164 -13.388 23.091 1.00 0.00 C ATOM 765 CG GLU A 49 -19.097 -13.656 21.909 1.00 0.00 C ATOM 766 CD GLU A 49 -20.271 -12.686 21.942 1.00 0.00 C ATOM 767 OE1 GLU A 49 -20.487 -12.082 22.980 1.00 0.00 O ATOM 768 OE2 GLU A 49 -20.939 -12.559 20.929 1.00 0.00 O ATOM 0 H GLU A 49 -16.403 -13.396 24.814 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.504 -15.438 23.172 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -18.726 -13.412 24.025 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.729 -12.392 23.006 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -18.551 -13.547 20.972 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -19.461 -14.683 21.948 1.00 0.00 H new ATOM 775 N LEU A 50 -15.466 -13.272 21.717 1.00 0.00 N ATOM 776 CA LEU A 50 -14.620 -13.070 20.547 1.00 0.00 C ATOM 777 C LEU A 50 -13.567 -14.164 20.457 1.00 0.00 C ATOM 778 O LEU A 50 -13.238 -14.629 19.370 1.00 0.00 O ATOM 779 CB LEU A 50 -13.938 -11.703 20.619 1.00 0.00 C ATOM 780 CG LEU A 50 -14.993 -10.598 20.452 1.00 0.00 C ATOM 781 CD1 LEU A 50 -14.360 -9.238 20.767 1.00 0.00 C ATOM 782 CD2 LEU A 50 -15.547 -10.596 19.010 1.00 0.00 C ATOM 0 H LEU A 50 -15.415 -12.526 22.411 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.248 -13.111 19.657 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.425 -11.590 21.574 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.181 -11.620 19.839 1.00 0.00 H new ATOM 0 HG LEU A 50 -15.817 -10.787 21.141 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.107 -8.453 20.649 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.991 -9.237 21.793 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.531 -9.056 20.083 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.293 -9.808 18.908 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.733 -10.418 18.308 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -16.007 -11.561 18.796 1.00 0.00 H new ATOM 794 N ASN A 51 -13.025 -14.554 21.606 1.00 0.00 N ATOM 795 CA ASN A 51 -11.992 -15.583 21.634 1.00 0.00 C ATOM 796 C ASN A 51 -12.498 -16.869 20.991 1.00 0.00 C ATOM 797 O ASN A 51 -11.841 -17.435 20.117 1.00 0.00 O ATOM 798 CB ASN A 51 -11.587 -15.867 23.084 1.00 0.00 C ATOM 799 CG ASN A 51 -10.608 -17.032 23.136 1.00 0.00 C ATOM 800 OD1 ASN A 51 -9.755 -17.160 22.262 1.00 0.00 O ATOM 801 ND2 ASN A 51 -10.680 -17.892 24.113 1.00 0.00 N ATOM 0 H ASN A 51 -13.280 -14.179 22.520 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.130 -15.224 21.072 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.131 -14.979 23.523 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.471 -16.098 23.678 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.027 -18.674 24.153 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.390 -17.783 24.837 1.00 0.00 H new ATOM 808 N LYS A 52 -13.671 -17.319 21.417 1.00 0.00 N ATOM 809 CA LYS A 52 -14.254 -18.535 20.863 1.00 0.00 C ATOM 810 C LYS A 52 -14.562 -18.355 19.384 1.00 0.00 C ATOM 811 O LYS A 52 -14.301 -19.241 18.572 1.00 0.00 O ATOM 812 CB LYS A 52 -15.534 -18.893 21.615 1.00 0.00 C ATOM 813 CG LYS A 52 -15.188 -19.340 23.038 1.00 0.00 C ATOM 814 CD LYS A 52 -16.432 -19.929 23.710 1.00 0.00 C ATOM 815 CE LYS A 52 -17.461 -18.824 23.967 1.00 0.00 C ATOM 816 NZ LYS A 52 -18.478 -19.310 24.936 1.00 0.00 N ATOM 0 H LYS A 52 -14.233 -16.866 22.137 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.532 -19.344 20.975 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.202 -18.032 21.646 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.064 -19.689 21.092 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.390 -20.082 23.013 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.817 -18.493 23.616 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.867 -20.702 23.076 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.156 -20.406 24.650 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.966 -17.935 24.358 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.942 -18.536 23.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.177 -18.560 25.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.958 -20.146 24.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.012 -19.564 25.830 1.00 0.00 H new ATOM 830 N LYS A 53 -15.120 -17.200 19.039 1.00 0.00 N ATOM 831 CA LYS A 53 -15.458 -16.915 17.651 1.00 0.00 C ATOM 832 C LYS A 53 -14.201 -16.875 16.791 1.00 0.00 C ATOM 833 O LYS A 53 -14.152 -17.471 15.718 1.00 0.00 O ATOM 834 CB LYS A 53 -16.181 -15.573 17.558 1.00 0.00 C ATOM 835 CG LYS A 53 -16.640 -15.332 16.116 1.00 0.00 C ATOM 836 CD LYS A 53 -17.318 -13.962 16.011 1.00 0.00 C ATOM 837 CE LYS A 53 -18.738 -14.028 16.582 1.00 0.00 C ATOM 838 NZ LYS A 53 -19.478 -12.796 16.212 1.00 0.00 N ATOM 0 H LYS A 53 -15.346 -16.452 19.695 1.00 0.00 H new ATOM 0 HA LYS A 53 -16.110 -17.708 17.285 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -17.040 -15.564 18.229 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -15.518 -14.769 17.878 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.786 -15.379 15.440 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -17.333 -16.116 15.809 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.735 -13.217 16.553 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.352 -13.644 14.969 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -19.256 -14.906 16.196 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -18.701 -14.131 17.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.778 -12.299 17.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.860 -12.175 15.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -20.316 -13.050 15.650 1.00 0.00 H new ATOM 852 N ILE A 54 -13.190 -16.156 17.268 1.00 0.00 N ATOM 853 CA ILE A 54 -11.942 -16.039 16.529 1.00 0.00 C ATOM 854 C ILE A 54 -11.235 -17.387 16.454 1.00 0.00 C ATOM 855 O ILE A 54 -10.739 -17.782 15.399 1.00 0.00 O ATOM 856 CB ILE A 54 -11.024 -15.010 17.206 1.00 0.00 C ATOM 857 CG1 ILE A 54 -11.629 -13.610 17.052 1.00 0.00 C ATOM 858 CG2 ILE A 54 -9.627 -15.047 16.559 1.00 0.00 C ATOM 859 CD1 ILE A 54 -10.884 -12.632 17.966 1.00 0.00 C ATOM 0 H ILE A 54 -13.211 -15.651 18.154 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.171 -15.707 15.517 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.930 -15.252 18.265 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.557 -13.283 16.015 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -12.688 -13.629 17.308 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.982 -14.315 17.044 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.198 -16.042 16.676 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.711 -14.810 15.498 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.312 -11.635 17.858 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.979 -12.958 19.002 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.830 -12.606 17.689 1.00 0.00 H new ATOM 871 N ASN A 55 -11.189 -18.086 17.582 1.00 0.00 N ATOM 872 CA ASN A 55 -10.537 -19.386 17.631 1.00 0.00 C ATOM 873 C ASN A 55 -11.241 -20.374 16.708 1.00 0.00 C ATOM 874 O ASN A 55 -10.596 -21.157 16.009 1.00 0.00 O ATOM 875 CB ASN A 55 -10.548 -19.923 19.066 1.00 0.00 C ATOM 876 CG ASN A 55 -9.503 -19.197 19.905 1.00 0.00 C ATOM 877 OD1 ASN A 55 -8.634 -18.515 19.363 1.00 0.00 O ATOM 878 ND2 ASN A 55 -9.531 -19.309 21.204 1.00 0.00 N ATOM 0 H ASN A 55 -11.592 -17.777 18.467 1.00 0.00 H new ATOM 0 HA ASN A 55 -9.506 -19.268 17.297 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.536 -19.788 19.505 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.344 -20.994 19.063 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.832 -18.831 21.772 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.252 -19.875 21.652 1.00 0.00 H new ATOM 885 N ASP A 56 -12.569 -20.333 16.715 1.00 0.00 N ATOM 886 CA ASP A 56 -13.356 -21.231 15.879 1.00 0.00 C ATOM 887 C ASP A 56 -13.080 -20.969 14.404 1.00 0.00 C ATOM 888 O ASP A 56 -13.005 -21.898 13.600 1.00 0.00 O ATOM 889 CB ASP A 56 -14.847 -21.039 16.164 1.00 0.00 C ATOM 890 CG ASP A 56 -15.200 -21.623 17.529 1.00 0.00 C ATOM 891 OD1 ASP A 56 -14.385 -22.353 18.069 1.00 0.00 O ATOM 892 OD2 ASP A 56 -16.280 -21.330 18.015 1.00 0.00 O ATOM 0 H ASP A 56 -13.120 -19.692 17.286 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.072 -22.257 16.113 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.096 -19.978 16.138 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.439 -21.525 15.388 1.00 0.00 H new ATOM 897 N TYR A 57 -12.932 -19.697 14.055 1.00 0.00 N ATOM 898 CA TYR A 57 -12.668 -19.317 12.673 1.00 0.00 C ATOM 899 C TYR A 57 -11.402 -20.000 12.166 1.00 0.00 C ATOM 900 O TYR A 57 -11.328 -20.413 11.010 1.00 0.00 O ATOM 901 CB TYR A 57 -12.511 -17.799 12.567 1.00 0.00 C ATOM 902 CG TYR A 57 -12.341 -17.410 11.117 1.00 0.00 C ATOM 903 CD1 TYR A 57 -13.461 -17.345 10.278 1.00 0.00 C ATOM 904 CD2 TYR A 57 -11.070 -17.117 10.611 1.00 0.00 C ATOM 905 CE1 TYR A 57 -13.309 -16.982 8.933 1.00 0.00 C ATOM 906 CE2 TYR A 57 -10.918 -16.755 9.267 1.00 0.00 C ATOM 907 CZ TYR A 57 -12.037 -16.690 8.428 1.00 0.00 C ATOM 908 OH TYR A 57 -11.886 -16.333 7.103 1.00 0.00 O ATOM 0 H TYR A 57 -12.990 -18.914 14.707 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.511 -19.635 12.060 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.385 -17.302 12.988 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -11.648 -17.471 13.146 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.442 -17.575 10.668 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -10.206 -17.170 11.257 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -14.173 -16.928 8.287 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.937 -16.526 8.877 1.00 0.00 H new ATOM 0 HH TYR A 57 -10.939 -16.163 6.916 1.00 0.00 H new ATOM 918 N ILE A 58 -10.405 -20.109 13.037 1.00 0.00 N ATOM 919 CA ILE A 58 -9.143 -20.739 12.662 1.00 0.00 C ATOM 920 C ILE A 58 -9.372 -22.199 12.284 1.00 0.00 C ATOM 921 O ILE A 58 -8.821 -22.688 11.301 1.00 0.00 O ATOM 922 CB ILE A 58 -8.160 -20.664 13.832 1.00 0.00 C ATOM 923 CG1 ILE A 58 -7.767 -19.203 14.072 1.00 0.00 C ATOM 924 CG2 ILE A 58 -6.902 -21.475 13.501 1.00 0.00 C ATOM 925 CD1 ILE A 58 -7.013 -19.082 15.400 1.00 0.00 C ATOM 0 H ILE A 58 -10.444 -19.773 13.999 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.730 -20.210 11.803 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.632 -21.072 14.726 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.142 -18.846 13.254 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.658 -18.575 14.090 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.203 -21.420 14.336 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.176 -22.515 13.325 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.431 -21.067 12.607 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.735 -18.041 15.567 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.653 -19.422 16.214 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.113 -19.697 15.365 1.00 0.00 H new ATOM 937 N ALA A 59 -10.185 -22.892 13.075 1.00 0.00 N ATOM 938 CA ALA A 59 -10.476 -24.296 12.812 1.00 0.00 C ATOM 939 C ALA A 59 -11.176 -24.452 11.467 1.00 0.00 C ATOM 940 O ALA A 59 -10.960 -25.432 10.754 1.00 0.00 O ATOM 941 CB ALA A 59 -11.365 -24.863 13.921 1.00 0.00 C ATOM 0 H ALA A 59 -10.651 -22.508 13.897 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.535 -24.845 12.787 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.577 -25.912 13.716 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.852 -24.777 14.879 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -12.300 -24.304 13.959 1.00 0.00 H new ATOM 947 N GLU A 60 -12.019 -23.482 11.129 1.00 0.00 N ATOM 948 CA GLU A 60 -12.747 -23.520 9.867 1.00 0.00 C ATOM 949 C GLU A 60 -11.817 -23.220 8.698 1.00 0.00 C ATOM 950 O GLU A 60 -11.902 -23.857 7.650 1.00 0.00 O ATOM 951 CB GLU A 60 -13.886 -22.499 9.890 1.00 0.00 C ATOM 952 CG GLU A 60 -14.889 -22.877 10.980 1.00 0.00 C ATOM 953 CD GLU A 60 -15.558 -24.204 10.642 1.00 0.00 C ATOM 954 OE1 GLU A 60 -15.554 -24.566 9.476 1.00 0.00 O ATOM 955 OE2 GLU A 60 -16.064 -24.840 11.551 1.00 0.00 O ATOM 0 H GLU A 60 -12.214 -22.665 11.708 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.158 -24.521 9.739 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.490 -21.501 10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.382 -22.469 8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.381 -22.952 11.942 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.643 -22.096 11.078 1.00 0.00 H new ATOM 962 N HIS A 61 -10.934 -22.242 8.884 1.00 0.00 N ATOM 963 CA HIS A 61 -9.988 -21.854 7.835 1.00 0.00 C ATOM 964 C HIS A 61 -8.589 -21.675 8.415 1.00 0.00 C ATOM 965 O HIS A 61 -8.052 -20.568 8.431 1.00 0.00 O ATOM 966 CB HIS A 61 -10.445 -20.554 7.180 1.00 0.00 C ATOM 967 CG HIS A 61 -11.911 -20.645 6.856 1.00 0.00 C ATOM 968 ND1 HIS A 61 -12.833 -19.734 7.345 1.00 0.00 N ATOM 969 CD2 HIS A 61 -12.631 -21.533 6.094 1.00 0.00 C ATOM 970 CE1 HIS A 61 -14.044 -20.089 6.876 1.00 0.00 C ATOM 971 NE2 HIS A 61 -13.978 -21.179 6.108 1.00 0.00 N ATOM 0 H HIS A 61 -10.852 -21.704 9.747 1.00 0.00 H new ATOM 0 HA HIS A 61 -9.957 -22.645 7.086 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -10.261 -19.713 7.848 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -9.871 -20.371 6.271 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -12.631 -18.938 7.951 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -12.215 -22.378 5.564 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -14.958 -19.557 7.095 1.00 0.00 H new ATOM 979 N PRO A 62 -8.000 -22.739 8.896 1.00 0.00 N ATOM 980 CA PRO A 62 -6.632 -22.703 9.494 1.00 0.00 C ATOM 981 C PRO A 62 -5.548 -22.533 8.433 1.00 0.00 C ATOM 982 O PRO A 62 -4.431 -22.116 8.734 1.00 0.00 O ATOM 983 CB PRO A 62 -6.508 -24.061 10.207 1.00 0.00 C ATOM 984 CG PRO A 62 -7.446 -24.973 9.476 1.00 0.00 C ATOM 985 CD PRO A 62 -8.571 -24.098 8.915 1.00 0.00 C ATOM 0 HA PRO A 62 -6.499 -21.856 10.167 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.485 -24.435 10.168 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.778 -23.980 11.260 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.928 -25.497 8.673 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.846 -25.733 10.147 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.865 -24.420 7.916 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.462 -24.146 9.541 1.00 0.00 H new ATOM 993 N THR A 63 -5.884 -22.873 7.194 1.00 0.00 N ATOM 994 CA THR A 63 -4.927 -22.769 6.097 1.00 0.00 C ATOM 995 C THR A 63 -4.880 -21.341 5.565 1.00 0.00 C ATOM 996 O THR A 63 -3.894 -20.928 4.958 1.00 0.00 O ATOM 997 CB THR A 63 -5.320 -23.728 4.966 1.00 0.00 C ATOM 998 OG1 THR A 63 -4.861 -23.207 3.726 1.00 0.00 O ATOM 999 CG2 THR A 63 -6.842 -23.878 4.924 1.00 0.00 C ATOM 0 H THR A 63 -6.804 -23.221 6.924 1.00 0.00 H new ATOM 0 HA THR A 63 -3.940 -23.038 6.472 1.00 0.00 H new ATOM 0 HB THR A 63 -4.866 -24.703 5.144 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.110 -23.819 3.002 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.118 -24.560 4.120 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.195 -24.277 5.875 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.299 -22.904 4.747 1.00 0.00 H new ATOM 1007 N SER A 64 -5.955 -20.594 5.798 1.00 0.00 N ATOM 1008 CA SER A 64 -6.023 -19.213 5.335 1.00 0.00 C ATOM 1009 C SER A 64 -5.019 -18.348 6.089 1.00 0.00 C ATOM 1010 O SER A 64 -4.807 -18.528 7.288 1.00 0.00 O ATOM 1011 CB SER A 64 -7.436 -18.663 5.547 1.00 0.00 C ATOM 1012 OG SER A 64 -8.304 -19.211 4.565 1.00 0.00 O ATOM 0 H SER A 64 -6.782 -20.918 6.299 1.00 0.00 H new ATOM 0 HA SER A 64 -5.780 -19.190 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.792 -18.917 6.546 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.430 -17.575 5.477 1.00 0.00 H new ATOM 0 HG SER A 64 -9.210 -18.863 4.698 1.00 0.00 H new ATOM 1018 N GLY A 65 -4.409 -17.403 5.378 1.00 0.00 N ATOM 1019 CA GLY A 65 -3.431 -16.509 5.991 1.00 0.00 C ATOM 1020 C GLY A 65 -4.125 -15.326 6.655 1.00 0.00 C ATOM 1021 O GLY A 65 -3.533 -14.630 7.475 1.00 0.00 O ATOM 0 H GLY A 65 -4.573 -17.237 4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.845 -17.055 6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.734 -16.150 5.234 1.00 0.00 H new ATOM 1025 N ARG A 66 -5.382 -15.104 6.299 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.147 -14.003 6.872 1.00 0.00 C ATOM 1027 C ARG A 66 -6.409 -14.239 8.353 1.00 0.00 C ATOM 1028 O ARG A 66 -6.440 -13.297 9.146 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.478 -13.851 6.130 1.00 0.00 C ATOM 1030 CG ARG A 66 -7.216 -13.414 4.675 1.00 0.00 C ATOM 1031 CD ARG A 66 -7.092 -11.888 4.601 1.00 0.00 C ATOM 1032 NE ARG A 66 -8.338 -11.269 5.037 1.00 0.00 N ATOM 1033 CZ ARG A 66 -9.366 -11.136 4.207 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -9.271 -11.571 2.980 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -10.471 -10.575 4.618 1.00 0.00 N ATOM 0 H ARG A 66 -5.893 -15.668 5.620 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.564 -13.088 6.765 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.023 -14.795 6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.104 -13.115 6.634 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.302 -13.880 4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.029 -13.753 4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.268 -11.550 5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.861 -11.582 3.581 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.422 -10.932 5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.408 -12.012 2.661 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.059 -11.470 2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.546 -10.238 5.578 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.260 -10.474 3.979 1.00 0.00 H new ATOM 1049 N ASN A 67 -6.612 -15.498 8.715 1.00 0.00 N ATOM 1050 CA ASN A 67 -6.885 -15.848 10.102 1.00 0.00 C ATOM 1051 C ASN A 67 -5.714 -15.454 10.995 1.00 0.00 C ATOM 1052 O ASN A 67 -5.860 -15.338 12.211 1.00 0.00 O ATOM 1053 CB ASN A 67 -7.136 -17.353 10.220 1.00 0.00 C ATOM 1054 CG ASN A 67 -5.925 -18.126 9.706 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -4.856 -17.548 9.510 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -6.030 -19.405 9.472 1.00 0.00 N ATOM 0 H ASN A 67 -6.593 -16.290 8.072 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.772 -15.305 10.427 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.332 -17.617 11.259 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.023 -17.628 9.649 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.225 -19.928 9.126 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.917 -19.882 9.635 1.00 0.00 H new ATOM 1063 N GLN A 68 -4.553 -15.247 10.384 1.00 0.00 N ATOM 1064 CA GLN A 68 -3.363 -14.863 11.135 1.00 0.00 C ATOM 1065 C GLN A 68 -3.568 -13.505 11.798 1.00 0.00 C ATOM 1066 O GLN A 68 -3.148 -13.289 12.933 1.00 0.00 O ATOM 1067 CB GLN A 68 -2.154 -14.795 10.200 1.00 0.00 C ATOM 1068 CG GLN A 68 -1.873 -16.187 9.631 1.00 0.00 C ATOM 1069 CD GLN A 68 -0.692 -16.128 8.668 1.00 0.00 C ATOM 1070 OE1 GLN A 68 -0.081 -15.074 8.497 1.00 0.00 O ATOM 1071 NE2 GLN A 68 -0.331 -17.206 8.026 1.00 0.00 N ATOM 0 H GLN A 68 -4.410 -15.338 9.378 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.184 -15.612 11.906 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.346 -14.091 9.390 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -1.282 -14.428 10.741 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.658 -16.883 10.441 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.756 -16.563 9.114 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.839 -18.079 8.169 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.459 -17.175 7.381 1.00 0.00 H new ATOM 1080 N ALA A 69 -4.219 -12.592 11.083 1.00 0.00 N ATOM 1081 CA ALA A 69 -4.476 -11.259 11.617 1.00 0.00 C ATOM 1082 C ALA A 69 -5.697 -11.281 12.532 1.00 0.00 C ATOM 1083 O ALA A 69 -5.880 -10.394 13.362 1.00 0.00 O ATOM 1084 CB ALA A 69 -4.713 -10.273 10.472 1.00 0.00 C ATOM 0 H ALA A 69 -4.575 -12.749 10.140 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.606 -10.942 12.192 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.904 -9.281 10.880 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.831 -10.239 9.833 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.573 -10.596 9.886 1.00 0.00 H new ATOM 1090 N LEU A 70 -6.537 -12.293 12.365 1.00 0.00 N ATOM 1091 CA LEU A 70 -7.737 -12.411 13.179 1.00 0.00 C ATOM 1092 C LEU A 70 -7.386 -12.800 14.613 1.00 0.00 C ATOM 1093 O LEU A 70 -7.976 -12.293 15.570 1.00 0.00 O ATOM 1094 CB LEU A 70 -8.674 -13.460 12.577 1.00 0.00 C ATOM 1095 CG LEU A 70 -10.055 -13.366 13.247 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -10.819 -12.132 12.733 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -10.858 -14.634 12.938 1.00 0.00 C ATOM 0 H LEU A 70 -6.411 -13.038 11.679 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.236 -11.442 13.194 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.769 -13.303 11.503 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.258 -14.457 12.718 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.919 -13.269 14.324 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.794 -12.080 13.217 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.251 -11.231 12.963 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.953 -12.210 11.654 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.837 -14.569 13.412 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.983 -14.732 11.860 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.326 -15.504 13.322 1.00 0.00 H new ATOM 1109 N THR A 71 -6.432 -13.713 14.750 1.00 0.00 N ATOM 1110 CA THR A 71 -6.009 -14.178 16.066 1.00 0.00 C ATOM 1111 C THR A 71 -5.342 -13.052 16.846 1.00 0.00 C ATOM 1112 O THR A 71 -5.240 -13.109 18.071 1.00 0.00 O ATOM 1113 CB THR A 71 -5.038 -15.350 15.921 1.00 0.00 C ATOM 1114 OG1 THR A 71 -4.487 -15.665 17.191 1.00 0.00 O ATOM 1115 CG2 THR A 71 -3.918 -14.977 14.951 1.00 0.00 C ATOM 0 H THR A 71 -5.938 -14.145 13.969 1.00 0.00 H new ATOM 0 HA THR A 71 -6.892 -14.507 16.613 1.00 0.00 H new ATOM 0 HB THR A 71 -5.572 -16.217 15.532 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.865 -16.417 17.100 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.229 -15.816 14.851 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.345 -14.740 13.976 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.380 -14.109 15.332 1.00 0.00 H new ATOM 1123 N GLN A 72 -4.876 -12.038 16.126 1.00 0.00 N ATOM 1124 CA GLN A 72 -4.207 -10.909 16.762 1.00 0.00 C ATOM 1125 C GLN A 72 -5.161 -10.178 17.698 1.00 0.00 C ATOM 1126 O GLN A 72 -4.743 -9.624 18.710 1.00 0.00 O ATOM 1127 CB GLN A 72 -3.698 -9.942 15.697 1.00 0.00 C ATOM 1128 CG GLN A 72 -2.585 -10.607 14.881 1.00 0.00 C ATOM 1129 CD GLN A 72 -1.358 -10.831 15.758 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -0.916 -9.914 16.451 1.00 0.00 O ATOM 1131 NE2 GLN A 72 -0.778 -11.999 15.771 1.00 0.00 N ATOM 0 H GLN A 72 -4.948 -11.974 15.111 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.367 -11.289 17.343 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.516 -9.647 15.040 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.323 -9.033 16.167 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.935 -11.559 14.481 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.323 -9.980 14.029 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.146 -12.757 15.196 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.043 -12.154 16.356 1.00 0.00 H new ATOM 1140 N LEU A 73 -6.442 -10.185 17.358 1.00 0.00 N ATOM 1141 CA LEU A 73 -7.439 -9.514 18.182 1.00 0.00 C ATOM 1142 C LEU A 73 -7.471 -10.110 19.581 1.00 0.00 C ATOM 1143 O LEU A 73 -7.620 -9.391 20.568 1.00 0.00 O ATOM 1144 CB LEU A 73 -8.823 -9.643 17.530 1.00 0.00 C ATOM 1145 CG LEU A 73 -9.007 -8.543 16.467 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -10.003 -9.012 15.407 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -9.545 -7.270 17.138 1.00 0.00 C ATOM 0 H LEU A 73 -6.814 -10.643 16.526 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.171 -8.460 18.261 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.928 -10.626 17.071 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.601 -9.561 18.289 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.047 -8.334 15.996 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.131 -8.231 14.657 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.627 -9.916 14.929 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.963 -9.223 15.878 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.676 -6.491 16.387 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.504 -7.485 17.609 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.837 -6.930 17.894 1.00 0.00 H new ATOM 1159 N LYS A 74 -7.339 -11.426 19.658 1.00 0.00 N ATOM 1160 CA LYS A 74 -7.360 -12.104 20.945 1.00 0.00 C ATOM 1161 C LYS A 74 -6.243 -11.581 21.840 1.00 0.00 C ATOM 1162 O LYS A 74 -6.460 -11.307 23.010 1.00 0.00 O ATOM 1163 CB LYS A 74 -7.182 -13.610 20.744 1.00 0.00 C ATOM 1164 CG LYS A 74 -7.282 -14.326 22.093 1.00 0.00 C ATOM 1165 CD LYS A 74 -7.151 -15.832 21.882 1.00 0.00 C ATOM 1166 CE LYS A 74 -7.287 -16.550 23.227 1.00 0.00 C ATOM 1167 NZ LYS A 74 -6.070 -16.303 24.051 1.00 0.00 N ATOM 0 H LYS A 74 -7.217 -12.040 18.853 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.321 -11.909 21.422 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.945 -13.988 20.063 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.215 -13.813 20.284 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.498 -13.973 22.763 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.236 -14.096 22.569 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.919 -16.181 21.192 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.187 -16.064 21.430 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.173 -16.194 23.753 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.420 -17.620 23.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.060 -16.957 24.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.221 -16.456 23.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.079 -15.323 24.399 1.00 0.00 H new ATOM 1181 N GLU A 75 -5.043 -11.467 21.285 1.00 0.00 N ATOM 1182 CA GLU A 75 -3.899 -10.984 22.052 1.00 0.00 C ATOM 1183 C GLU A 75 -4.019 -9.490 22.336 1.00 0.00 C ATOM 1184 O GLU A 75 -3.596 -9.010 23.387 1.00 0.00 O ATOM 1185 CB GLU A 75 -2.607 -11.260 21.285 1.00 0.00 C ATOM 1186 CG GLU A 75 -2.450 -12.767 21.071 1.00 0.00 C ATOM 1187 CD GLU A 75 -2.171 -13.461 22.399 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -1.940 -12.765 23.375 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -2.192 -14.680 22.422 1.00 0.00 O ATOM 0 H GLU A 75 -4.836 -11.700 20.314 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.880 -11.514 23.005 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.626 -10.746 20.324 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.753 -10.870 21.839 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.356 -13.174 20.623 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.635 -12.960 20.373 1.00 0.00 H new ATOM 1196 N GLN A 76 -4.573 -8.757 21.377 1.00 0.00 N ATOM 1197 CA GLN A 76 -4.722 -7.312 21.523 1.00 0.00 C ATOM 1198 C GLN A 76 -5.668 -6.973 22.665 1.00 0.00 C ATOM 1199 O GLN A 76 -5.449 -6.010 23.400 1.00 0.00 O ATOM 1200 CB GLN A 76 -5.244 -6.703 20.221 1.00 0.00 C ATOM 1201 CG GLN A 76 -4.123 -6.646 19.185 1.00 0.00 C ATOM 1202 CD GLN A 76 -4.674 -6.201 17.836 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -5.472 -6.911 17.224 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -4.295 -5.058 17.331 1.00 0.00 N ATOM 0 H GLN A 76 -4.924 -9.134 20.497 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.742 -6.893 21.751 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.074 -7.298 19.839 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.629 -5.701 20.408 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.348 -5.954 19.515 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.656 -7.626 19.090 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.634 -4.470 17.839 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.660 -4.753 16.429 1.00 0.00 H new ATOM 1213 N VAL A 77 -6.747 -7.738 22.790 1.00 0.00 N ATOM 1214 CA VAL A 77 -7.718 -7.475 23.822 1.00 0.00 C ATOM 1215 C VAL A 77 -7.046 -7.322 25.183 1.00 0.00 C ATOM 1216 O VAL A 77 -7.409 -6.442 25.974 1.00 0.00 O ATOM 1217 CB VAL A 77 -8.761 -8.620 23.853 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -8.302 -9.736 24.802 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -10.115 -8.084 24.330 1.00 0.00 C ATOM 0 H VAL A 77 -6.962 -8.535 22.191 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.223 -6.535 23.598 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.859 -9.021 22.844 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.045 -10.533 24.813 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.347 -10.135 24.460 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.187 -9.333 25.808 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -10.842 -8.896 24.348 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.009 -7.669 25.332 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.458 -7.305 23.649 1.00 0.00 H new ATOM 1229 N THR A 78 -6.081 -8.187 25.454 1.00 0.00 N ATOM 1230 CA THR A 78 -5.371 -8.157 26.719 1.00 0.00 C ATOM 1231 C THR A 78 -4.520 -6.904 26.810 1.00 0.00 C ATOM 1232 O THR A 78 -4.402 -6.298 27.872 1.00 0.00 O ATOM 1233 CB THR A 78 -4.497 -9.405 26.859 1.00 0.00 C ATOM 1234 OG1 THR A 78 -3.803 -9.634 25.641 1.00 0.00 O ATOM 1235 CG2 THR A 78 -5.372 -10.620 27.192 1.00 0.00 C ATOM 0 H THR A 78 -5.773 -8.918 24.813 1.00 0.00 H new ATOM 0 HA THR A 78 -6.097 -8.145 27.532 1.00 0.00 H new ATOM 0 HB THR A 78 -3.778 -9.254 27.664 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.898 -8.852 25.058 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.743 -11.505 27.290 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.899 -10.443 28.130 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.097 -10.777 26.393 1.00 0.00 H new ATOM 1243 N SER A 79 -3.929 -6.525 25.681 1.00 0.00 N ATOM 1244 CA SER A 79 -3.085 -5.341 25.636 1.00 0.00 C ATOM 1245 C SER A 79 -3.916 -4.081 25.853 1.00 0.00 C ATOM 1246 O SER A 79 -3.471 -3.142 26.510 1.00 0.00 O ATOM 1247 CB SER A 79 -2.367 -5.257 24.289 1.00 0.00 C ATOM 1248 OG SER A 79 -1.508 -6.381 24.143 1.00 0.00 O ATOM 0 H SER A 79 -4.019 -7.018 24.793 1.00 0.00 H new ATOM 0 HA SER A 79 -2.346 -5.417 26.434 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.094 -5.233 23.477 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.790 -4.334 24.228 1.00 0.00 H new ATOM 0 HG SER A 79 -1.048 -6.331 23.279 1.00 0.00 H new ATOM 1254 N ALA A 80 -5.116 -4.060 25.270 1.00 0.00 N ATOM 1255 CA ALA A 80 -5.978 -2.893 25.392 1.00 0.00 C ATOM 1256 C ALA A 80 -6.215 -2.547 26.860 1.00 0.00 C ATOM 1257 O ALA A 80 -5.958 -1.422 27.291 1.00 0.00 O ATOM 1258 CB ALA A 80 -7.329 -3.182 24.713 1.00 0.00 C ATOM 0 H ALA A 80 -5.504 -4.825 24.719 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.489 -2.047 24.908 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.976 -2.309 24.803 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.166 -3.405 23.659 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.803 -4.037 25.196 1.00 0.00 H new ATOM 1264 N LEU A 81 -6.686 -3.522 27.626 1.00 0.00 N ATOM 1265 CA LEU A 81 -6.929 -3.308 29.049 1.00 0.00 C ATOM 1266 C LEU A 81 -5.620 -3.258 29.822 1.00 0.00 C ATOM 1267 O LEU A 81 -5.508 -2.555 30.825 1.00 0.00 O ATOM 1268 CB LEU A 81 -7.811 -4.424 29.594 1.00 0.00 C ATOM 1269 CG LEU A 81 -9.068 -4.561 28.733 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -9.926 -5.716 29.260 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -9.873 -3.255 28.789 1.00 0.00 C ATOM 0 H LEU A 81 -6.906 -4.460 27.292 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.436 -2.351 29.172 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.260 -5.364 29.601 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.088 -4.209 30.626 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.781 -4.765 27.701 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.822 -5.813 28.646 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.354 -6.643 29.217 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.213 -5.514 30.292 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.769 -3.353 28.175 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.160 -3.049 29.820 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.262 -2.435 28.411 1.00 0.00 H new