USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 429 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 42 ASN : amide:sc= -0.0302 X(o=-0.036,f=-0.054) USER MOD Set 1.2: A 43 ASN : amide:sc=-0.00597 K(o=-0.036,f=-0.67) USER MOD Set 2.1: A 21 CYS SG : rot -95:sc= -0.628 USER MOD Set 2.2: A 26 CYS SG : rot -128:sc= -0.476! USER MOD Set 2.3: A 31 CYS SG : rot 162:sc= 0.477 USER MOD Set 2.4: A 34 CYS SG : rot 174:sc= -1.94! USER MOD Set 2.5: A 60 CYS SG : rot 135:sc= 0.526 USER MOD Set 3.1: A 16 GLN : amide:sc= 0.0527 K(o=-0.63,f=-8.2!) USER MOD Set 3.2: A 28 ASN : amide:sc= -0.68 K(o=-0.63,f=-6!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot -10:sc= 0.747 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0334 X(o=-0.033,f=-0.43) USER MOD Single : A 18 THR OG1 : rot -77:sc= 0.82 USER MOD Single : A 23 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.26) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -159:sc= -0.424 USER MOD Single : A 40 MET CE :methyl -157:sc= -0.496 (180deg=-1.36) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -0.0316 (180deg=-0.161) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= 0.428 (180deg=0.29) USER MOD Single : A 56 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.052) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 1.01 (180deg=0.983) USER MOD ----------------------------------------------------------------- ATOM 64 N ALA A 4 5.503 8.106 -2.665 1.00 0.00 N ATOM 65 CA ALA A 4 5.429 9.567 -2.487 1.00 0.00 C ATOM 66 C ALA A 4 6.162 10.287 -3.636 1.00 0.00 C ATOM 67 O ALA A 4 5.606 11.192 -4.266 1.00 0.00 O ATOM 68 CB ALA A 4 6.005 9.963 -1.116 1.00 0.00 C ATOM 0 HA ALA A 4 4.384 9.877 -2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.945 11.045 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.432 9.477 -0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.047 9.648 -1.054 1.00 0.00 H new ATOM 74 N ALA A 5 7.401 9.837 -3.920 1.00 0.00 N ATOM 75 CA ALA A 5 8.236 10.385 -5.013 1.00 0.00 C ATOM 76 C ALA A 5 7.647 10.052 -6.395 1.00 0.00 C ATOM 77 O ALA A 5 7.813 10.824 -7.341 1.00 0.00 O ATOM 78 CB ALA A 5 9.670 9.849 -4.913 1.00 0.00 C ATOM 0 H ALA A 5 7.852 9.084 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 5 8.250 11.469 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.270 10.262 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.102 10.142 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.658 8.762 -4.988 1.00 0.00 H new ATOM 84 N ALA A 6 6.963 8.892 -6.485 1.00 0.00 N ATOM 85 CA ALA A 6 6.319 8.418 -7.723 1.00 0.00 C ATOM 86 C ALA A 6 5.169 9.350 -8.090 1.00 0.00 C ATOM 87 O ALA A 6 5.095 9.824 -9.217 1.00 0.00 O ATOM 88 CB ALA A 6 5.826 6.965 -7.560 1.00 0.00 C ATOM 0 H ALA A 6 6.843 8.257 -5.696 1.00 0.00 H new ATOM 0 HA ALA A 6 7.049 8.428 -8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.354 6.635 -8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.673 6.317 -7.333 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.103 6.915 -6.746 1.00 0.00 H new ATOM 94 N LYS A 7 4.313 9.628 -7.086 1.00 0.00 N ATOM 95 CA LYS A 7 3.177 10.560 -7.209 1.00 0.00 C ATOM 96 C LYS A 7 3.658 11.947 -7.654 1.00 0.00 C ATOM 97 O LYS A 7 3.162 12.480 -8.639 1.00 0.00 O ATOM 98 CB LYS A 7 2.431 10.669 -5.846 1.00 0.00 C ATOM 99 CG LYS A 7 1.280 11.715 -5.798 1.00 0.00 C ATOM 100 CD LYS A 7 0.115 11.403 -6.766 1.00 0.00 C ATOM 101 CE LYS A 7 -0.623 10.097 -6.421 1.00 0.00 C ATOM 102 NZ LYS A 7 -1.733 9.827 -7.371 1.00 0.00 N ATOM 0 H LYS A 7 4.393 9.208 -6.160 1.00 0.00 H new ATOM 0 HA LYS A 7 2.493 10.173 -7.965 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.021 9.691 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.157 10.917 -5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.891 11.768 -4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.685 12.699 -6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.595 12.230 -6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.503 11.337 -7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.081 9.265 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.018 10.159 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.207 8.940 -7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.418 10.609 -7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.352 9.743 -8.335 1.00 0.00 H new ATOM 116 N HIS A 8 4.654 12.488 -6.918 1.00 0.00 N ATOM 117 CA HIS A 8 5.224 13.825 -7.175 1.00 0.00 C ATOM 118 C HIS A 8 5.777 13.930 -8.598 1.00 0.00 C ATOM 119 O HIS A 8 5.476 14.894 -9.283 1.00 0.00 O ATOM 120 CB HIS A 8 6.319 14.184 -6.126 1.00 0.00 C ATOM 121 CG HIS A 8 5.777 14.694 -4.807 1.00 0.00 C ATOM 122 ND1 HIS A 8 6.196 15.874 -4.224 1.00 0.00 N ATOM 123 CD2 HIS A 8 4.839 14.190 -3.971 1.00 0.00 C ATOM 124 CE1 HIS A 8 5.543 16.066 -3.096 1.00 0.00 C ATOM 125 NE2 HIS A 8 4.714 15.058 -2.922 1.00 0.00 N ATOM 0 H HIS A 8 5.085 12.007 -6.128 1.00 0.00 H new ATOM 0 HA HIS A 8 4.415 14.549 -7.076 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.928 13.300 -5.937 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.978 14.941 -6.551 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.290 13.270 -4.108 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.666 16.906 -2.429 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.080 14.943 -2.131 1.00 0.00 H new ATOM 134 N LEU A 9 6.542 12.911 -9.034 1.00 0.00 N ATOM 135 CA LEU A 9 7.189 12.897 -10.367 1.00 0.00 C ATOM 136 C LEU A 9 6.164 12.774 -11.506 1.00 0.00 C ATOM 137 O LEU A 9 6.320 13.424 -12.537 1.00 0.00 O ATOM 138 CB LEU A 9 8.283 11.781 -10.451 1.00 0.00 C ATOM 139 CG LEU A 9 9.755 12.241 -10.201 1.00 0.00 C ATOM 140 CD1 LEU A 9 10.209 13.207 -11.311 1.00 0.00 C ATOM 141 CD2 LEU A 9 9.926 12.874 -8.804 1.00 0.00 C ATOM 0 H LEU A 9 6.730 12.077 -8.478 1.00 0.00 H new ATOM 0 HA LEU A 9 7.685 13.859 -10.496 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.038 11.005 -9.725 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.230 11.322 -11.438 1.00 0.00 H new ATOM 0 HG LEU A 9 10.393 11.358 -10.230 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.236 13.519 -11.124 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.153 12.704 -12.276 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.560 14.082 -11.320 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.963 13.181 -8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.276 13.744 -8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.660 12.144 -8.039 1.00 0.00 H new ATOM 153 N ILE A 10 5.115 11.957 -11.312 1.00 0.00 N ATOM 154 CA ILE A 10 4.008 11.836 -12.290 1.00 0.00 C ATOM 155 C ILE A 10 3.280 13.191 -12.422 1.00 0.00 C ATOM 156 O ILE A 10 2.938 13.608 -13.528 1.00 0.00 O ATOM 157 CB ILE A 10 3.008 10.681 -11.884 1.00 0.00 C ATOM 158 CG1 ILE A 10 3.727 9.287 -11.973 1.00 0.00 C ATOM 159 CG2 ILE A 10 1.706 10.699 -12.740 1.00 0.00 C ATOM 160 CD1 ILE A 10 2.938 8.117 -11.409 1.00 0.00 C ATOM 0 H ILE A 10 5.006 11.367 -10.487 1.00 0.00 H new ATOM 0 HA ILE A 10 4.425 11.569 -13.261 1.00 0.00 H new ATOM 0 HB ILE A 10 2.703 10.855 -10.852 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.956 9.080 -13.018 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.678 9.352 -11.445 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.051 9.887 -12.424 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.194 11.652 -12.604 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.960 10.571 -13.792 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.519 7.201 -11.517 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.731 8.293 -10.353 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.998 8.017 -11.951 1.00 0.00 H new ATOM 172 N GLU A 11 3.109 13.876 -11.276 1.00 0.00 N ATOM 173 CA GLU A 11 2.548 15.239 -11.207 1.00 0.00 C ATOM 174 C GLU A 11 3.467 16.269 -11.894 1.00 0.00 C ATOM 175 O GLU A 11 2.981 17.210 -12.505 1.00 0.00 O ATOM 176 CB GLU A 11 2.305 15.649 -9.723 1.00 0.00 C ATOM 177 CG GLU A 11 1.151 14.910 -9.019 1.00 0.00 C ATOM 178 CD GLU A 11 -0.199 15.156 -9.704 1.00 0.00 C ATOM 179 OE1 GLU A 11 -0.722 16.290 -9.605 1.00 0.00 O ATOM 180 OE2 GLU A 11 -0.724 14.241 -10.374 1.00 0.00 O ATOM 0 H GLU A 11 3.359 13.496 -10.363 1.00 0.00 H new ATOM 0 HA GLU A 11 1.597 15.230 -11.740 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.222 15.477 -9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.105 16.720 -9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.361 13.840 -9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.094 15.235 -7.980 1.00 0.00 H new ATOM 187 N ARG A 12 4.793 16.062 -11.779 1.00 0.00 N ATOM 188 CA ARG A 12 5.816 16.944 -12.378 1.00 0.00 C ATOM 189 C ARG A 12 5.760 16.874 -13.918 1.00 0.00 C ATOM 190 O ARG A 12 5.753 17.909 -14.580 1.00 0.00 O ATOM 191 CB ARG A 12 7.236 16.548 -11.869 1.00 0.00 C ATOM 192 CG ARG A 12 7.535 16.852 -10.374 1.00 0.00 C ATOM 193 CD ARG A 12 7.975 18.299 -10.104 1.00 0.00 C ATOM 194 NE ARG A 12 6.949 19.311 -10.411 1.00 0.00 N ATOM 195 CZ ARG A 12 7.213 20.607 -10.669 1.00 0.00 C ATOM 196 NH1 ARG A 12 8.465 21.060 -10.725 1.00 0.00 N ATOM 197 NH2 ARG A 12 6.216 21.443 -10.876 1.00 0.00 N ATOM 0 H ARG A 12 5.188 15.274 -11.265 1.00 0.00 H new ATOM 0 HA ARG A 12 5.608 17.970 -12.073 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.375 15.480 -12.037 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.976 17.066 -12.479 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.643 16.639 -9.786 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.315 16.175 -10.026 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.257 18.391 -9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.867 18.512 -10.694 1.00 0.00 H new ATOM 0 HE ARG A 12 5.974 19.011 -10.429 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.246 20.422 -10.571 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.643 22.045 -10.922 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.253 21.108 -10.840 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.407 22.426 -11.072 1.00 0.00 H new ATOM 211 N TYR A 13 5.704 15.638 -14.461 1.00 0.00 N ATOM 212 CA TYR A 13 5.663 15.392 -15.919 1.00 0.00 C ATOM 213 C TYR A 13 4.283 15.735 -16.516 1.00 0.00 C ATOM 214 O TYR A 13 4.202 16.200 -17.657 1.00 0.00 O ATOM 215 CB TYR A 13 6.044 13.919 -16.241 1.00 0.00 C ATOM 216 CG TYR A 13 7.532 13.584 -16.023 1.00 0.00 C ATOM 217 CD1 TYR A 13 8.526 14.096 -16.871 1.00 0.00 C ATOM 218 CD2 TYR A 13 7.950 12.764 -14.975 1.00 0.00 C ATOM 219 CE1 TYR A 13 9.859 13.788 -16.679 1.00 0.00 C ATOM 220 CE2 TYR A 13 9.277 12.460 -14.785 1.00 0.00 C ATOM 221 CZ TYR A 13 10.226 12.976 -15.634 1.00 0.00 C ATOM 222 OH TYR A 13 11.546 12.668 -15.433 1.00 0.00 O ATOM 0 H TYR A 13 5.686 14.785 -13.902 1.00 0.00 H new ATOM 0 HA TYR A 13 6.398 16.051 -16.381 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.440 13.257 -15.621 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.785 13.708 -17.279 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.244 14.743 -17.689 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.214 12.358 -14.297 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.609 14.184 -17.348 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.573 11.817 -13.970 1.00 0.00 H new ATOM 0 HH TYR A 13 12.072 12.964 -16.205 1.00 0.00 H new ATOM 232 N TYR A 14 3.214 15.514 -15.730 1.00 0.00 N ATOM 233 CA TYR A 14 1.827 15.816 -16.151 1.00 0.00 C ATOM 234 C TYR A 14 1.629 17.331 -16.255 1.00 0.00 C ATOM 235 O TYR A 14 1.100 17.822 -17.249 1.00 0.00 O ATOM 236 CB TYR A 14 0.796 15.199 -15.162 1.00 0.00 C ATOM 237 CG TYR A 14 -0.672 15.315 -15.628 1.00 0.00 C ATOM 238 CD1 TYR A 14 -1.203 14.410 -16.547 1.00 0.00 C ATOM 239 CD2 TYR A 14 -1.515 16.330 -15.161 1.00 0.00 C ATOM 240 CE1 TYR A 14 -2.508 14.516 -16.983 1.00 0.00 C ATOM 241 CE2 TYR A 14 -2.819 16.437 -15.600 1.00 0.00 C ATOM 242 CZ TYR A 14 -3.310 15.523 -16.507 1.00 0.00 C ATOM 243 OH TYR A 14 -4.605 15.621 -16.953 1.00 0.00 O ATOM 0 H TYR A 14 3.282 15.124 -14.790 1.00 0.00 H new ATOM 0 HA TYR A 14 1.660 15.369 -17.131 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.037 14.146 -15.013 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.899 15.690 -14.194 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.581 13.612 -16.924 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.138 17.043 -14.443 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.898 13.807 -17.698 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.451 17.233 -15.235 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.043 16.384 -16.522 1.00 0.00 H new ATOM 253 N HIS A 15 2.082 18.050 -15.211 1.00 0.00 N ATOM 254 CA HIS A 15 2.000 19.524 -15.129 1.00 0.00 C ATOM 255 C HIS A 15 2.899 20.165 -16.196 1.00 0.00 C ATOM 256 O HIS A 15 2.570 21.225 -16.720 1.00 0.00 O ATOM 257 CB HIS A 15 2.419 20.004 -13.715 1.00 0.00 C ATOM 258 CG HIS A 15 2.299 21.490 -13.475 1.00 0.00 C ATOM 259 ND1 HIS A 15 3.209 22.417 -13.953 1.00 0.00 N ATOM 260 CD2 HIS A 15 1.375 22.210 -12.792 1.00 0.00 C ATOM 261 CE1 HIS A 15 2.850 23.623 -13.570 1.00 0.00 C ATOM 262 NE2 HIS A 15 1.742 23.525 -12.870 1.00 0.00 N ATOM 0 H HIS A 15 2.519 17.623 -14.394 1.00 0.00 H new ATOM 0 HA HIS A 15 0.970 19.829 -15.311 1.00 0.00 H new ATOM 0 HB2 HIS A 15 1.809 19.483 -12.977 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.453 19.707 -13.540 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.509 21.817 -12.281 1.00 0.00 H new ATOM 0 HE1 HIS A 15 3.377 24.539 -13.793 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.236 24.306 -12.451 1.00 0.00 H new ATOM 271 N GLN A 16 4.031 19.493 -16.485 1.00 0.00 N ATOM 272 CA GLN A 16 4.983 19.893 -17.538 1.00 0.00 C ATOM 273 C GLN A 16 4.275 19.964 -18.908 1.00 0.00 C ATOM 274 O GLN A 16 4.422 20.944 -19.639 1.00 0.00 O ATOM 275 CB GLN A 16 6.157 18.871 -17.578 1.00 0.00 C ATOM 276 CG GLN A 16 7.233 19.125 -18.645 1.00 0.00 C ATOM 277 CD GLN A 16 8.309 18.030 -18.683 1.00 0.00 C ATOM 278 OE1 GLN A 16 9.321 18.121 -18.008 1.00 0.00 O ATOM 279 NE2 GLN A 16 8.086 16.986 -19.459 1.00 0.00 N ATOM 0 H GLN A 16 4.312 18.648 -15.988 1.00 0.00 H new ATOM 0 HA GLN A 16 5.377 20.884 -17.314 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.638 18.861 -16.600 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.742 17.876 -17.739 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.758 19.194 -19.623 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.708 20.087 -18.453 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.231 16.936 -20.013 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.769 16.229 -19.505 1.00 0.00 H new ATOM 288 N LEU A 17 3.488 18.921 -19.214 1.00 0.00 N ATOM 289 CA LEU A 17 2.750 18.802 -20.493 1.00 0.00 C ATOM 290 C LEU A 17 1.532 19.747 -20.552 1.00 0.00 C ATOM 291 O LEU A 17 1.360 20.473 -21.529 1.00 0.00 O ATOM 292 CB LEU A 17 2.288 17.337 -20.683 1.00 0.00 C ATOM 293 CG LEU A 17 3.430 16.284 -20.798 1.00 0.00 C ATOM 294 CD1 LEU A 17 2.889 14.850 -20.647 1.00 0.00 C ATOM 295 CD2 LEU A 17 4.223 16.440 -22.118 1.00 0.00 C ATOM 0 H LEU A 17 3.341 18.132 -18.584 1.00 0.00 H new ATOM 0 HA LEU A 17 3.426 19.093 -21.298 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.649 17.064 -19.843 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.674 17.281 -21.582 1.00 0.00 H new ATOM 0 HG LEU A 17 4.121 16.470 -19.976 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.712 14.140 -20.732 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.415 14.741 -19.672 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.157 14.653 -21.430 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.010 15.688 -22.160 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.549 16.309 -22.965 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.668 17.434 -22.160 1.00 0.00 H new ATOM 307 N THR A 18 0.680 19.699 -19.510 1.00 0.00 N ATOM 308 CA THR A 18 -0.609 20.413 -19.480 1.00 0.00 C ATOM 309 C THR A 18 -0.413 21.921 -19.293 1.00 0.00 C ATOM 310 O THR A 18 -0.682 22.710 -20.204 1.00 0.00 O ATOM 311 CB THR A 18 -1.542 19.852 -18.344 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.850 19.870 -17.081 1.00 0.00 O ATOM 313 CG2 THR A 18 -2.013 18.428 -18.647 1.00 0.00 C ATOM 0 H THR A 18 0.868 19.162 -18.663 1.00 0.00 H new ATOM 0 HA THR A 18 -1.089 20.245 -20.444 1.00 0.00 H new ATOM 0 HB THR A 18 -2.420 20.496 -18.295 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.213 19.126 -17.046 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.655 18.077 -17.839 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.572 18.421 -19.583 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.149 17.770 -18.736 1.00 0.00 H new ATOM 321 N GLU A 19 0.086 22.300 -18.115 1.00 0.00 N ATOM 322 CA GLU A 19 0.169 23.698 -17.688 1.00 0.00 C ATOM 323 C GLU A 19 1.424 24.365 -18.260 1.00 0.00 C ATOM 324 O GLU A 19 1.378 25.521 -18.676 1.00 0.00 O ATOM 325 CB GLU A 19 0.177 23.759 -16.143 1.00 0.00 C ATOM 326 CG GLU A 19 -1.008 23.041 -15.462 1.00 0.00 C ATOM 327 CD GLU A 19 -2.384 23.586 -15.873 1.00 0.00 C ATOM 328 OE1 GLU A 19 -2.697 24.744 -15.523 1.00 0.00 O ATOM 329 OE2 GLU A 19 -3.157 22.870 -16.548 1.00 0.00 O ATOM 0 H GLU A 19 0.447 21.641 -17.425 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.698 24.240 -18.065 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.107 23.320 -15.781 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.176 24.804 -15.834 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.963 21.979 -15.701 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.901 23.129 -14.381 1.00 0.00 H new ATOM 336 N GLY A 20 2.525 23.591 -18.303 1.00 0.00 N ATOM 337 CA GLY A 20 3.844 24.091 -18.691 1.00 0.00 C ATOM 338 C GLY A 20 4.674 24.498 -17.485 1.00 0.00 C ATOM 339 O GLY A 20 4.725 23.771 -16.484 1.00 0.00 O ATOM 0 H GLY A 20 2.517 22.599 -18.067 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.373 23.321 -19.253 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.727 24.947 -19.356 1.00 0.00 H new ATOM 343 N CYS A 21 5.334 25.665 -17.593 1.00 0.00 N ATOM 344 CA CYS A 21 6.128 26.253 -16.490 1.00 0.00 C ATOM 345 C CYS A 21 6.148 27.791 -16.517 1.00 0.00 C ATOM 346 O CYS A 21 6.722 28.412 -15.621 1.00 0.00 O ATOM 347 CB CYS A 21 7.569 25.735 -16.614 1.00 0.00 C ATOM 348 SG CYS A 21 8.309 26.066 -18.246 1.00 0.00 S ATOM 0 H CYS A 21 5.335 26.229 -18.443 1.00 0.00 H new ATOM 0 HA CYS A 21 5.665 25.957 -15.549 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.183 26.199 -15.842 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.580 24.661 -16.428 1.00 0.00 H new ATOM 0 HG CYS A 21 8.160 25.024 -19.009 1.00 0.00 H new ATOM 353 N GLY A 22 5.512 28.406 -17.525 1.00 0.00 N ATOM 354 CA GLY A 22 5.525 29.868 -17.699 1.00 0.00 C ATOM 355 C GLY A 22 6.755 30.388 -18.451 1.00 0.00 C ATOM 356 O GLY A 22 6.649 31.364 -19.201 1.00 0.00 O ATOM 0 H GLY A 22 4.978 27.910 -18.238 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.627 30.169 -18.238 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.482 30.342 -16.718 1.00 0.00 H new ATOM 360 N ASN A 23 7.923 29.736 -18.226 1.00 0.00 N ATOM 361 CA ASN A 23 9.232 30.120 -18.799 1.00 0.00 C ATOM 362 C ASN A 23 9.194 30.171 -20.348 1.00 0.00 C ATOM 363 O ASN A 23 8.858 29.176 -21.006 1.00 0.00 O ATOM 364 CB ASN A 23 10.331 29.132 -18.296 1.00 0.00 C ATOM 365 CG ASN A 23 11.746 29.332 -18.889 1.00 0.00 C ATOM 366 OD1 ASN A 23 12.505 28.375 -19.016 1.00 0.00 O ATOM 367 ND2 ASN A 23 12.124 30.550 -19.244 1.00 0.00 N ATOM 0 H ASN A 23 7.979 28.912 -17.628 1.00 0.00 H new ATOM 0 HA ASN A 23 9.473 31.127 -18.459 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.398 29.216 -17.211 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.006 28.115 -18.517 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.056 30.703 -19.629 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.483 31.336 -19.133 1.00 0.00 H new ATOM 374 N GLU A 24 9.540 31.354 -20.893 1.00 0.00 N ATOM 375 CA GLU A 24 9.556 31.631 -22.346 1.00 0.00 C ATOM 376 C GLU A 24 10.708 30.885 -23.060 1.00 0.00 C ATOM 377 O GLU A 24 10.501 30.267 -24.110 1.00 0.00 O ATOM 378 CB GLU A 24 9.654 33.172 -22.575 1.00 0.00 C ATOM 379 CG GLU A 24 10.860 33.857 -21.891 1.00 0.00 C ATOM 380 CD GLU A 24 10.894 35.384 -22.065 1.00 0.00 C ATOM 381 OE1 GLU A 24 10.169 36.087 -21.333 1.00 0.00 O ATOM 382 OE2 GLU A 24 11.650 35.886 -22.924 1.00 0.00 O ATOM 0 H GLU A 24 9.821 32.157 -20.329 1.00 0.00 H new ATOM 0 HA GLU A 24 8.628 31.261 -22.782 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.707 33.363 -23.647 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.737 33.637 -22.213 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.842 33.623 -20.826 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.781 33.435 -22.294 1.00 0.00 H new ATOM 389 N ALA A 25 11.915 30.931 -22.461 1.00 0.00 N ATOM 390 CA ALA A 25 13.132 30.296 -23.018 1.00 0.00 C ATOM 391 C ALA A 25 13.298 28.873 -22.438 1.00 0.00 C ATOM 392 O ALA A 25 14.393 28.459 -22.027 1.00 0.00 O ATOM 393 CB ALA A 25 14.356 31.191 -22.724 1.00 0.00 C ATOM 0 H ALA A 25 12.076 31.410 -21.575 1.00 0.00 H new ATOM 0 HA ALA A 25 13.042 30.196 -24.100 1.00 0.00 H new ATOM 0 HB1 ALA A 25 15.253 30.726 -23.133 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.211 32.168 -23.185 1.00 0.00 H new ATOM 0 HB3 ALA A 25 14.468 31.311 -21.646 1.00 0.00 H new ATOM 399 N CYS A 26 12.180 28.126 -22.449 1.00 0.00 N ATOM 400 CA CYS A 26 12.106 26.764 -21.915 1.00 0.00 C ATOM 401 C CYS A 26 12.773 25.759 -22.874 1.00 0.00 C ATOM 402 O CYS A 26 12.285 25.527 -23.990 1.00 0.00 O ATOM 403 CB CYS A 26 10.633 26.378 -21.667 1.00 0.00 C ATOM 404 SG CYS A 26 10.435 24.644 -21.162 1.00 0.00 S ATOM 0 H CYS A 26 11.296 28.459 -22.834 1.00 0.00 H new ATOM 0 HA CYS A 26 12.646 26.733 -20.969 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.217 27.026 -20.895 1.00 0.00 H new ATOM 0 HB3 CYS A 26 10.058 26.555 -22.576 1.00 0.00 H new ATOM 0 HG CYS A 26 9.546 24.071 -21.918 1.00 0.00 H new ATOM 409 N THR A 27 13.893 25.164 -22.423 1.00 0.00 N ATOM 410 CA THR A 27 14.694 24.201 -23.208 1.00 0.00 C ATOM 411 C THR A 27 14.160 22.749 -23.064 1.00 0.00 C ATOM 412 O THR A 27 14.942 21.791 -22.968 1.00 0.00 O ATOM 413 CB THR A 27 16.190 24.280 -22.748 1.00 0.00 C ATOM 414 OG1 THR A 27 16.279 23.979 -21.346 1.00 0.00 O ATOM 415 CG2 THR A 27 16.804 25.670 -23.009 1.00 0.00 C ATOM 0 H THR A 27 14.273 25.339 -21.493 1.00 0.00 H new ATOM 0 HA THR A 27 14.615 24.468 -24.262 1.00 0.00 H new ATOM 0 HB THR A 27 16.752 23.551 -23.331 1.00 0.00 H new ATOM 0 HG1 THR A 27 17.215 24.027 -21.060 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.841 25.678 -22.675 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.765 25.891 -24.076 1.00 0.00 H new ATOM 0 HG23 THR A 27 16.240 26.425 -22.461 1.00 0.00 H new ATOM 423 N ASN A 28 12.825 22.587 -23.100 1.00 0.00 N ATOM 424 CA ASN A 28 12.154 21.286 -22.965 1.00 0.00 C ATOM 425 C ASN A 28 10.958 21.254 -23.932 1.00 0.00 C ATOM 426 O ASN A 28 9.956 21.931 -23.699 1.00 0.00 O ATOM 427 CB ASN A 28 11.705 21.058 -21.484 1.00 0.00 C ATOM 428 CG ASN A 28 11.165 19.644 -21.187 1.00 0.00 C ATOM 429 OD1 ASN A 28 10.599 18.966 -22.036 1.00 0.00 O ATOM 430 ND2 ASN A 28 11.339 19.194 -19.964 1.00 0.00 N ATOM 0 H ASN A 28 12.177 23.365 -23.225 1.00 0.00 H new ATOM 0 HA ASN A 28 12.839 20.477 -23.220 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.552 21.254 -20.827 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.933 21.787 -21.236 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.000 18.266 -19.709 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.813 19.773 -19.270 1.00 0.00 H new ATOM 437 N GLU A 29 11.097 20.488 -25.023 1.00 0.00 N ATOM 438 CA GLU A 29 10.060 20.343 -26.071 1.00 0.00 C ATOM 439 C GLU A 29 8.818 19.577 -25.572 1.00 0.00 C ATOM 440 O GLU A 29 7.720 19.752 -26.120 1.00 0.00 O ATOM 441 CB GLU A 29 10.636 19.671 -27.361 1.00 0.00 C ATOM 442 CG GLU A 29 11.196 18.229 -27.220 1.00 0.00 C ATOM 443 CD GLU A 29 12.586 18.151 -26.561 1.00 0.00 C ATOM 444 OE1 GLU A 29 13.612 18.258 -27.271 1.00 0.00 O ATOM 445 OE2 GLU A 29 12.664 18.000 -25.333 1.00 0.00 O ATOM 0 H GLU A 29 11.939 19.943 -25.211 1.00 0.00 H new ATOM 0 HA GLU A 29 9.739 21.354 -26.323 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.848 19.655 -28.114 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.433 20.307 -27.746 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.495 17.635 -26.634 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.250 17.774 -28.209 1.00 0.00 H new ATOM 452 N PHE A 30 8.993 18.753 -24.521 1.00 0.00 N ATOM 453 CA PHE A 30 7.891 17.983 -23.879 1.00 0.00 C ATOM 454 C PHE A 30 7.216 18.821 -22.769 1.00 0.00 C ATOM 455 O PHE A 30 6.808 18.288 -21.732 1.00 0.00 O ATOM 456 CB PHE A 30 8.442 16.650 -23.294 1.00 0.00 C ATOM 457 CG PHE A 30 9.144 15.768 -24.319 1.00 0.00 C ATOM 458 CD1 PHE A 30 8.409 15.058 -25.272 1.00 0.00 C ATOM 459 CD2 PHE A 30 10.535 15.666 -24.347 1.00 0.00 C ATOM 460 CE1 PHE A 30 9.046 14.267 -26.208 1.00 0.00 C ATOM 461 CE2 PHE A 30 11.167 14.872 -25.281 1.00 0.00 C ATOM 462 CZ PHE A 30 10.423 14.179 -26.217 1.00 0.00 C ATOM 0 H PHE A 30 9.902 18.597 -24.086 1.00 0.00 H new ATOM 0 HA PHE A 30 7.141 17.752 -24.636 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.140 16.879 -22.488 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.617 16.091 -22.852 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.331 15.129 -25.277 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.124 16.216 -23.628 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.466 13.717 -26.934 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.244 14.792 -25.281 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.920 13.568 -26.956 1.00 0.00 H new ATOM 472 N CYS A 31 7.048 20.124 -23.022 1.00 0.00 N ATOM 473 CA CYS A 31 6.586 21.086 -22.015 1.00 0.00 C ATOM 474 C CYS A 31 5.755 22.175 -22.695 1.00 0.00 C ATOM 475 O CYS A 31 6.174 22.696 -23.730 1.00 0.00 O ATOM 476 CB CYS A 31 7.811 21.711 -21.312 1.00 0.00 C ATOM 477 SG CYS A 31 7.444 22.733 -19.853 1.00 0.00 S ATOM 0 H CYS A 31 7.229 20.542 -23.934 1.00 0.00 H new ATOM 0 HA CYS A 31 5.967 20.580 -21.274 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.483 20.908 -21.011 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.350 22.323 -22.036 1.00 0.00 H new ATOM 0 HG CYS A 31 8.523 22.879 -19.143 1.00 0.00 H new ATOM 482 N ALA A 32 4.581 22.510 -22.121 1.00 0.00 N ATOM 483 CA ALA A 32 3.687 23.553 -22.657 1.00 0.00 C ATOM 484 C ALA A 32 4.327 24.945 -22.513 1.00 0.00 C ATOM 485 O ALA A 32 5.218 25.142 -21.669 1.00 0.00 O ATOM 486 CB ALA A 32 2.304 23.490 -21.977 1.00 0.00 C ATOM 0 H ALA A 32 4.228 22.065 -21.274 1.00 0.00 H new ATOM 0 HA ALA A 32 3.538 23.368 -23.721 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.661 24.268 -22.388 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.854 22.514 -22.158 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.419 23.643 -20.904 1.00 0.00 H new ATOM 492 N SER A 33 3.870 25.874 -23.383 1.00 0.00 N ATOM 493 CA SER A 33 4.441 27.234 -23.565 1.00 0.00 C ATOM 494 C SER A 33 5.792 27.205 -24.313 1.00 0.00 C ATOM 495 O SER A 33 6.423 28.254 -24.496 1.00 0.00 O ATOM 496 CB SER A 33 4.542 28.024 -22.230 1.00 0.00 C ATOM 497 OG SER A 33 3.269 28.142 -21.624 1.00 0.00 O ATOM 0 H SER A 33 3.073 25.697 -23.995 1.00 0.00 H new ATOM 0 HA SER A 33 3.736 27.775 -24.196 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.228 27.517 -21.552 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.955 29.015 -22.418 1.00 0.00 H new ATOM 0 HG SER A 33 3.351 28.640 -20.784 1.00 0.00 H new ATOM 503 N CYS A 34 6.223 26.007 -24.767 1.00 0.00 N ATOM 504 CA CYS A 34 7.324 25.865 -25.727 1.00 0.00 C ATOM 505 C CYS A 34 6.725 25.820 -27.145 1.00 0.00 C ATOM 506 O CYS A 34 5.740 25.103 -27.351 1.00 0.00 O ATOM 507 CB CYS A 34 8.129 24.585 -25.426 1.00 0.00 C ATOM 508 SG CYS A 34 8.820 24.572 -23.765 1.00 0.00 S ATOM 0 H CYS A 34 5.815 25.119 -24.476 1.00 0.00 H new ATOM 0 HA CYS A 34 8.008 26.710 -25.648 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.483 23.716 -25.553 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.937 24.490 -26.152 1.00 0.00 H new ATOM 0 HG CYS A 34 9.373 23.419 -23.534 1.00 0.00 H new ATOM 514 N PRO A 35 7.296 26.578 -28.147 1.00 0.00 N ATOM 515 CA PRO A 35 6.754 26.624 -29.545 1.00 0.00 C ATOM 516 C PRO A 35 6.919 25.275 -30.290 1.00 0.00 C ATOM 517 O PRO A 35 6.309 25.043 -31.336 1.00 0.00 O ATOM 518 CB PRO A 35 7.593 27.758 -30.204 1.00 0.00 C ATOM 519 CG PRO A 35 8.890 27.752 -29.447 1.00 0.00 C ATOM 520 CD PRO A 35 8.522 27.423 -28.011 1.00 0.00 C ATOM 0 HA PRO A 35 5.680 26.808 -29.575 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.752 27.569 -31.266 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.091 28.722 -30.124 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.579 27.012 -29.855 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.387 28.720 -29.513 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.324 26.887 -27.504 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.325 28.325 -27.431 1.00 0.00 H new ATOM 528 N THR A 36 7.765 24.407 -29.716 1.00 0.00 N ATOM 529 CA THR A 36 8.019 23.045 -30.201 1.00 0.00 C ATOM 530 C THR A 36 6.904 22.069 -29.759 1.00 0.00 C ATOM 531 O THR A 36 6.710 21.020 -30.382 1.00 0.00 O ATOM 532 CB THR A 36 9.393 22.555 -29.650 1.00 0.00 C ATOM 533 OG1 THR A 36 9.402 22.692 -28.223 1.00 0.00 O ATOM 534 CG2 THR A 36 10.572 23.355 -30.240 1.00 0.00 C ATOM 0 H THR A 36 8.304 24.640 -28.882 1.00 0.00 H new ATOM 0 HA THR A 36 8.034 23.065 -31.291 1.00 0.00 H new ATOM 0 HB THR A 36 9.517 21.512 -29.941 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.328 22.713 -27.902 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.509 22.979 -29.828 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.581 23.243 -31.324 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.460 24.409 -29.985 1.00 0.00 H new ATOM 542 N PHE A 37 6.192 22.417 -28.672 1.00 0.00 N ATOM 543 CA PHE A 37 5.117 21.582 -28.106 1.00 0.00 C ATOM 544 C PHE A 37 3.766 21.941 -28.762 1.00 0.00 C ATOM 545 O PHE A 37 3.312 23.088 -28.656 1.00 0.00 O ATOM 546 CB PHE A 37 5.045 21.772 -26.565 1.00 0.00 C ATOM 547 CG PHE A 37 4.020 20.879 -25.850 1.00 0.00 C ATOM 548 CD1 PHE A 37 4.339 19.566 -25.511 1.00 0.00 C ATOM 549 CD2 PHE A 37 2.747 21.352 -25.517 1.00 0.00 C ATOM 550 CE1 PHE A 37 3.426 18.757 -24.866 1.00 0.00 C ATOM 551 CE2 PHE A 37 1.835 20.539 -24.874 1.00 0.00 C ATOM 552 CZ PHE A 37 2.173 19.242 -24.548 1.00 0.00 C ATOM 0 H PHE A 37 6.346 23.286 -28.161 1.00 0.00 H new ATOM 0 HA PHE A 37 5.335 20.534 -28.314 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.031 21.578 -26.143 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.807 22.814 -26.353 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.315 19.175 -25.757 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.474 22.367 -25.766 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.692 17.742 -24.609 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.855 20.919 -24.626 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.459 18.607 -24.045 1.00 0.00 H new ATOM 562 N LEU A 38 3.137 20.959 -29.442 1.00 0.00 N ATOM 563 CA LEU A 38 1.750 21.081 -29.925 1.00 0.00 C ATOM 564 C LEU A 38 0.813 20.576 -28.815 1.00 0.00 C ATOM 565 O LEU A 38 1.114 19.564 -28.166 1.00 0.00 O ATOM 566 CB LEU A 38 1.548 20.271 -31.239 1.00 0.00 C ATOM 567 CG LEU A 38 0.152 20.439 -31.936 1.00 0.00 C ATOM 568 CD1 LEU A 38 -0.110 21.915 -32.325 1.00 0.00 C ATOM 569 CD2 LEU A 38 0.014 19.506 -33.165 1.00 0.00 C ATOM 0 H LEU A 38 3.575 20.066 -29.669 1.00 0.00 H new ATOM 0 HA LEU A 38 1.524 22.122 -30.155 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.324 20.563 -31.947 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.699 19.214 -31.019 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.609 20.145 -31.213 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.085 21.997 -32.805 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.094 22.536 -31.429 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.664 22.252 -33.015 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.965 19.649 -33.623 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.792 19.743 -33.891 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.118 18.468 -32.848 1.00 0.00 H new ATOM 581 N ARG A 39 -0.302 21.294 -28.594 1.00 0.00 N ATOM 582 CA ARG A 39 -1.249 20.985 -27.504 1.00 0.00 C ATOM 583 C ARG A 39 -2.036 19.695 -27.788 1.00 0.00 C ATOM 584 O ARG A 39 -2.149 19.255 -28.936 1.00 0.00 O ATOM 585 CB ARG A 39 -2.207 22.178 -27.250 1.00 0.00 C ATOM 586 CG ARG A 39 -1.502 23.502 -26.886 1.00 0.00 C ATOM 587 CD ARG A 39 -0.499 23.375 -25.725 1.00 0.00 C ATOM 588 NE ARG A 39 0.043 24.686 -25.320 1.00 0.00 N ATOM 589 CZ ARG A 39 1.211 25.218 -25.720 1.00 0.00 C ATOM 590 NH1 ARG A 39 2.034 24.560 -26.532 1.00 0.00 N ATOM 591 NH2 ARG A 39 1.545 26.427 -25.305 1.00 0.00 N ATOM 0 H ARG A 39 -0.572 22.099 -29.160 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.666 20.819 -26.598 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.812 22.337 -28.142 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.891 21.912 -26.444 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.979 23.878 -27.766 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.256 24.244 -26.622 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.989 22.905 -24.872 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.320 22.720 -26.023 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.521 25.241 -24.676 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.784 23.629 -26.866 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.915 24.986 -26.821 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.919 26.945 -24.688 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.428 26.842 -25.601 1.00 0.00 H new ATOM 605 N MET A 40 -2.603 19.129 -26.713 1.00 0.00 N ATOM 606 CA MET A 40 -3.196 17.775 -26.705 1.00 0.00 C ATOM 607 C MET A 40 -4.399 17.705 -25.746 1.00 0.00 C ATOM 608 O MET A 40 -4.843 18.731 -25.202 1.00 0.00 O ATOM 609 CB MET A 40 -2.092 16.740 -26.313 1.00 0.00 C ATOM 610 CG MET A 40 -1.227 17.147 -25.104 1.00 0.00 C ATOM 611 SD MET A 40 -2.202 17.462 -23.614 1.00 0.00 S ATOM 612 CE MET A 40 -1.046 18.396 -22.627 1.00 0.00 C ATOM 0 H MET A 40 -2.666 19.601 -25.811 1.00 0.00 H new ATOM 0 HA MET A 40 -3.570 17.536 -27.700 1.00 0.00 H new ATOM 0 HB2 MET A 40 -2.570 15.785 -26.095 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.440 16.582 -27.172 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.504 16.357 -24.899 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.658 18.042 -25.356 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.317 18.314 -21.574 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.040 18.002 -22.775 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.074 19.443 -22.928 1.00 0.00 H new ATOM 622 N ASP A 41 -4.927 16.484 -25.556 1.00 0.00 N ATOM 623 CA ASP A 41 -6.040 16.207 -24.622 1.00 0.00 C ATOM 624 C ASP A 41 -5.502 15.762 -23.255 1.00 0.00 C ATOM 625 O ASP A 41 -4.335 15.385 -23.135 1.00 0.00 O ATOM 626 CB ASP A 41 -6.972 15.115 -25.211 1.00 0.00 C ATOM 627 CG ASP A 41 -7.702 15.573 -26.485 1.00 0.00 C ATOM 628 OD1 ASP A 41 -7.118 15.477 -27.594 1.00 0.00 O ATOM 629 OD2 ASP A 41 -8.850 16.068 -26.385 1.00 0.00 O ATOM 0 H ASP A 41 -4.594 15.654 -26.047 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.612 17.125 -24.485 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.384 14.225 -25.436 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.708 14.829 -24.460 1.00 0.00 H new ATOM 634 N ASN A 42 -6.388 15.800 -22.238 1.00 0.00 N ATOM 635 CA ASN A 42 -6.071 15.411 -20.841 1.00 0.00 C ATOM 636 C ASN A 42 -5.598 13.944 -20.742 1.00 0.00 C ATOM 637 O ASN A 42 -4.749 13.616 -19.907 1.00 0.00 O ATOM 638 CB ASN A 42 -7.305 15.645 -19.931 1.00 0.00 C ATOM 639 CG ASN A 42 -8.517 14.783 -20.317 1.00 0.00 C ATOM 640 OD1 ASN A 42 -9.327 15.173 -21.161 1.00 0.00 O ATOM 641 ND2 ASN A 42 -8.640 13.606 -19.713 1.00 0.00 N ATOM 0 H ASN A 42 -7.354 16.104 -22.361 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.248 16.040 -20.501 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.031 15.433 -18.898 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.587 16.697 -19.976 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.423 12.994 -19.943 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.951 13.314 -19.019 1.00 0.00 H new ATOM 648 N ASN A 43 -6.162 13.083 -21.613 1.00 0.00 N ATOM 649 CA ASN A 43 -5.798 11.661 -21.692 1.00 0.00 C ATOM 650 C ASN A 43 -4.388 11.505 -22.266 1.00 0.00 C ATOM 651 O ASN A 43 -3.580 10.782 -21.705 1.00 0.00 O ATOM 652 CB ASN A 43 -6.824 10.871 -22.547 1.00 0.00 C ATOM 653 CG ASN A 43 -8.227 10.822 -21.927 1.00 0.00 C ATOM 654 OD1 ASN A 43 -8.386 10.865 -20.707 1.00 0.00 O ATOM 655 ND2 ASN A 43 -9.256 10.714 -22.750 1.00 0.00 N ATOM 0 H ASN A 43 -6.883 13.358 -22.280 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.813 11.249 -20.683 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.888 11.325 -23.536 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.461 9.853 -22.687 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.204 10.665 -22.377 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.102 10.680 -23.758 1.00 0.00 H new ATOM 662 N ALA A 44 -4.111 12.222 -23.381 1.00 0.00 N ATOM 663 CA ALA A 44 -2.783 12.235 -24.046 1.00 0.00 C ATOM 664 C ALA A 44 -1.680 12.718 -23.088 1.00 0.00 C ATOM 665 O ALA A 44 -0.550 12.224 -23.117 1.00 0.00 O ATOM 666 CB ALA A 44 -2.831 13.122 -25.301 1.00 0.00 C ATOM 0 H ALA A 44 -4.803 12.809 -23.847 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.542 11.214 -24.340 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.853 13.125 -25.782 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.575 12.731 -25.995 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.099 14.140 -25.017 1.00 0.00 H new ATOM 672 N ALA A 45 -2.052 13.680 -22.231 1.00 0.00 N ATOM 673 CA ALA A 45 -1.183 14.230 -21.186 1.00 0.00 C ATOM 674 C ALA A 45 -0.872 13.171 -20.120 1.00 0.00 C ATOM 675 O ALA A 45 0.263 13.065 -19.681 1.00 0.00 O ATOM 676 CB ALA A 45 -1.848 15.452 -20.549 1.00 0.00 C ATOM 0 H ALA A 45 -2.980 14.103 -22.247 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.241 14.535 -21.641 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.198 15.857 -19.773 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.020 16.212 -21.312 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.801 15.159 -20.108 1.00 0.00 H new ATOM 682 N ALA A 46 -1.904 12.392 -19.724 1.00 0.00 N ATOM 683 CA ALA A 46 -1.778 11.329 -18.700 1.00 0.00 C ATOM 684 C ALA A 46 -0.884 10.177 -19.188 1.00 0.00 C ATOM 685 O ALA A 46 -0.036 9.668 -18.439 1.00 0.00 O ATOM 686 CB ALA A 46 -3.172 10.814 -18.302 1.00 0.00 C ATOM 0 H ALA A 46 -2.846 12.482 -20.104 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.298 11.758 -17.821 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.070 10.033 -17.549 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.761 11.636 -17.895 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.674 10.408 -19.180 1.00 0.00 H new ATOM 692 N ILE A 47 -1.075 9.796 -20.464 1.00 0.00 N ATOM 693 CA ILE A 47 -0.317 8.718 -21.107 1.00 0.00 C ATOM 694 C ILE A 47 1.164 9.114 -21.177 1.00 0.00 C ATOM 695 O ILE A 47 2.020 8.426 -20.618 1.00 0.00 O ATOM 696 CB ILE A 47 -0.877 8.386 -22.548 1.00 0.00 C ATOM 697 CG1 ILE A 47 -2.390 7.972 -22.485 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.030 7.294 -23.260 1.00 0.00 C ATOM 699 CD1 ILE A 47 -2.708 6.767 -21.607 1.00 0.00 C ATOM 0 H ILE A 47 -1.764 10.232 -21.077 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.425 7.814 -20.508 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.799 9.296 -23.142 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.966 8.824 -22.124 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.733 7.761 -23.498 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.448 7.095 -24.247 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.998 7.641 -23.365 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.045 6.379 -22.668 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.779 6.569 -21.636 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.168 5.895 -21.976 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.405 6.974 -20.581 1.00 0.00 H new ATOM 711 N LYS A 48 1.428 10.281 -21.797 1.00 0.00 N ATOM 712 CA LYS A 48 2.792 10.788 -22.023 1.00 0.00 C ATOM 713 C LYS A 48 3.491 11.176 -20.698 1.00 0.00 C ATOM 714 O LYS A 48 4.714 11.166 -20.633 1.00 0.00 O ATOM 715 CB LYS A 48 2.760 11.988 -23.009 1.00 0.00 C ATOM 716 CG LYS A 48 4.139 12.437 -23.554 1.00 0.00 C ATOM 717 CD LYS A 48 4.882 11.306 -24.311 1.00 0.00 C ATOM 718 CE LYS A 48 6.181 11.785 -24.970 1.00 0.00 C ATOM 719 NZ LYS A 48 5.935 12.841 -25.980 1.00 0.00 N ATOM 0 H LYS A 48 0.699 10.898 -22.155 1.00 0.00 H new ATOM 0 HA LYS A 48 3.379 9.984 -22.467 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.122 11.726 -23.853 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.293 12.836 -22.508 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.001 13.286 -24.223 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.758 12.781 -22.725 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.109 10.498 -23.615 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.223 10.893 -25.075 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.857 12.166 -24.204 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.680 10.940 -25.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.707 12.842 -26.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.033 12.656 -26.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.892 13.768 -25.510 1.00 0.00 H new ATOM 733 N ALA A 49 2.703 11.506 -19.648 1.00 0.00 N ATOM 734 CA ALA A 49 3.242 11.802 -18.293 1.00 0.00 C ATOM 735 C ALA A 49 3.941 10.570 -17.726 1.00 0.00 C ATOM 736 O ALA A 49 5.082 10.650 -17.247 1.00 0.00 O ATOM 737 CB ALA A 49 2.127 12.259 -17.337 1.00 0.00 C ATOM 0 H ALA A 49 1.687 11.575 -19.711 1.00 0.00 H new ATOM 0 HA ALA A 49 3.962 12.614 -18.388 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.552 12.468 -16.355 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.659 13.162 -17.729 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.378 11.472 -17.248 1.00 0.00 H new ATOM 743 N LEU A 50 3.236 9.430 -17.818 1.00 0.00 N ATOM 744 CA LEU A 50 3.757 8.131 -17.376 1.00 0.00 C ATOM 745 C LEU A 50 4.899 7.649 -18.284 1.00 0.00 C ATOM 746 O LEU A 50 5.817 6.994 -17.793 1.00 0.00 O ATOM 747 CB LEU A 50 2.621 7.062 -17.295 1.00 0.00 C ATOM 748 CG LEU A 50 1.800 7.015 -15.958 1.00 0.00 C ATOM 749 CD1 LEU A 50 2.709 6.638 -14.766 1.00 0.00 C ATOM 750 CD2 LEU A 50 1.043 8.340 -15.695 1.00 0.00 C ATOM 0 H LEU A 50 2.291 9.386 -18.200 1.00 0.00 H new ATOM 0 HA LEU A 50 4.162 8.266 -16.373 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.926 7.239 -18.116 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.064 6.080 -17.458 1.00 0.00 H new ATOM 0 HG LEU A 50 1.045 6.236 -16.066 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.117 6.612 -13.851 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.150 5.657 -14.941 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.502 7.379 -14.664 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.488 8.263 -14.760 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.758 9.160 -15.626 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.349 8.531 -16.514 1.00 0.00 H new ATOM 762 N GLU A 51 4.833 7.972 -19.595 1.00 0.00 N ATOM 763 CA GLU A 51 5.896 7.615 -20.561 1.00 0.00 C ATOM 764 C GLU A 51 7.210 8.323 -20.214 1.00 0.00 C ATOM 765 O GLU A 51 8.248 7.680 -20.114 1.00 0.00 O ATOM 766 CB GLU A 51 5.473 7.941 -22.019 1.00 0.00 C ATOM 767 CG GLU A 51 4.234 7.171 -22.519 1.00 0.00 C ATOM 768 CD GLU A 51 4.366 5.640 -22.415 1.00 0.00 C ATOM 769 OE1 GLU A 51 5.041 5.040 -23.275 1.00 0.00 O ATOM 770 OE2 GLU A 51 3.792 5.026 -21.482 1.00 0.00 O ATOM 0 H GLU A 51 4.052 8.481 -20.009 1.00 0.00 H new ATOM 0 HA GLU A 51 6.053 6.539 -20.490 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.274 9.010 -22.095 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.310 7.725 -22.683 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.364 7.491 -21.945 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.047 7.440 -23.559 1.00 0.00 H new ATOM 777 N LEU A 52 7.126 9.643 -19.980 1.00 0.00 N ATOM 778 CA LEU A 52 8.287 10.484 -19.610 1.00 0.00 C ATOM 779 C LEU A 52 8.830 10.107 -18.217 1.00 0.00 C ATOM 780 O LEU A 52 10.023 10.255 -17.948 1.00 0.00 O ATOM 781 CB LEU A 52 7.904 11.988 -19.655 1.00 0.00 C ATOM 782 CG LEU A 52 7.487 12.563 -21.048 1.00 0.00 C ATOM 783 CD1 LEU A 52 7.009 14.025 -20.918 1.00 0.00 C ATOM 784 CD2 LEU A 52 8.625 12.432 -22.092 1.00 0.00 C ATOM 0 H LEU A 52 6.250 10.163 -20.041 1.00 0.00 H new ATOM 0 HA LEU A 52 9.078 10.302 -20.338 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.081 12.151 -18.959 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.752 12.567 -19.288 1.00 0.00 H new ATOM 0 HG LEU A 52 6.652 11.965 -21.412 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.724 14.403 -21.900 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.150 14.069 -20.249 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.815 14.637 -20.513 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.293 12.843 -23.045 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.501 12.980 -21.746 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.882 11.380 -22.220 1.00 0.00 H new ATOM 796 N TYR A 53 7.931 9.620 -17.349 1.00 0.00 N ATOM 797 CA TYR A 53 8.287 9.148 -16.001 1.00 0.00 C ATOM 798 C TYR A 53 9.121 7.846 -16.075 1.00 0.00 C ATOM 799 O TYR A 53 10.210 7.767 -15.493 1.00 0.00 O ATOM 800 CB TYR A 53 7.001 8.939 -15.146 1.00 0.00 C ATOM 801 CG TYR A 53 7.255 8.295 -13.769 1.00 0.00 C ATOM 802 CD1 TYR A 53 7.990 8.968 -12.796 1.00 0.00 C ATOM 803 CD2 TYR A 53 6.789 7.009 -13.461 1.00 0.00 C ATOM 804 CE1 TYR A 53 8.254 8.391 -11.573 1.00 0.00 C ATOM 805 CE2 TYR A 53 7.058 6.429 -12.236 1.00 0.00 C ATOM 806 CZ TYR A 53 7.786 7.126 -11.295 1.00 0.00 C ATOM 807 OH TYR A 53 8.064 6.552 -10.075 1.00 0.00 O ATOM 0 H TYR A 53 6.936 9.542 -17.561 1.00 0.00 H new ATOM 0 HA TYR A 53 8.901 9.909 -15.519 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.515 9.904 -14.999 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.305 8.313 -15.704 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.360 9.961 -13.004 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.211 6.463 -14.192 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.827 8.930 -10.833 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.700 5.434 -12.017 1.00 0.00 H new ATOM 0 HH TYR A 53 7.662 5.659 -10.035 1.00 0.00 H new ATOM 817 N LYS A 54 8.604 6.845 -16.816 1.00 0.00 N ATOM 818 CA LYS A 54 9.179 5.480 -16.856 1.00 0.00 C ATOM 819 C LYS A 54 10.525 5.443 -17.609 1.00 0.00 C ATOM 820 O LYS A 54 11.379 4.617 -17.290 1.00 0.00 O ATOM 821 CB LYS A 54 8.169 4.465 -17.476 1.00 0.00 C ATOM 822 CG LYS A 54 7.799 4.712 -18.962 1.00 0.00 C ATOM 823 CD LYS A 54 6.710 3.753 -19.501 1.00 0.00 C ATOM 824 CE LYS A 54 5.390 3.820 -18.713 1.00 0.00 C ATOM 825 NZ LYS A 54 4.327 2.987 -19.332 1.00 0.00 N ATOM 0 H LYS A 54 7.778 6.957 -17.403 1.00 0.00 H new ATOM 0 HA LYS A 54 9.375 5.184 -15.825 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.587 3.462 -17.386 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.254 4.483 -16.884 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.454 5.740 -19.075 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.696 4.608 -19.572 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.513 3.991 -20.546 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.090 2.732 -19.473 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.562 3.486 -17.690 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.053 4.855 -18.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.574 2.812 -18.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.930 3.485 -20.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.732 2.080 -19.640 1.00 0.00 H new ATOM 839 N ILE A 55 10.704 6.344 -18.597 1.00 0.00 N ATOM 840 CA ILE A 55 11.963 6.449 -19.377 1.00 0.00 C ATOM 841 C ILE A 55 12.958 7.413 -18.703 1.00 0.00 C ATOM 842 O ILE A 55 14.109 7.495 -19.139 1.00 0.00 O ATOM 843 CB ILE A 55 11.696 6.905 -20.863 1.00 0.00 C ATOM 844 CG1 ILE A 55 11.148 8.375 -20.926 1.00 0.00 C ATOM 845 CG2 ILE A 55 10.737 5.907 -21.570 1.00 0.00 C ATOM 846 CD1 ILE A 55 10.739 8.859 -22.310 1.00 0.00 C ATOM 0 H ILE A 55 9.989 7.015 -18.878 1.00 0.00 H new ATOM 0 HA ILE A 55 12.402 5.452 -19.401 1.00 0.00 H new ATOM 0 HB ILE A 55 12.647 6.899 -21.396 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.286 8.453 -20.263 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.912 9.047 -20.535 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.562 6.235 -22.595 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.187 4.914 -21.578 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.789 5.871 -21.033 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.375 9.884 -22.244 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.600 8.822 -22.978 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.949 8.218 -22.701 1.00 0.00 H new ATOM 858 N ASN A 56 12.483 8.140 -17.656 1.00 0.00 N ATOM 859 CA ASN A 56 13.292 9.090 -16.856 1.00 0.00 C ATOM 860 C ASN A 56 13.783 10.245 -17.749 1.00 0.00 C ATOM 861 O ASN A 56 14.967 10.612 -17.740 1.00 0.00 O ATOM 862 CB ASN A 56 14.478 8.363 -16.139 1.00 0.00 C ATOM 863 CG ASN A 56 14.069 7.316 -15.079 1.00 0.00 C ATOM 864 OD1 ASN A 56 14.794 7.098 -14.116 1.00 0.00 O ATOM 865 ND2 ASN A 56 12.941 6.630 -15.248 1.00 0.00 N ATOM 0 H ASN A 56 11.514 8.079 -17.343 1.00 0.00 H new ATOM 0 HA ASN A 56 12.663 9.512 -16.072 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.090 7.870 -16.895 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.106 9.114 -15.660 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.673 5.915 -14.572 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.345 6.820 -16.053 1.00 0.00 H new ATOM 872 N ALA A 57 12.836 10.798 -18.524 1.00 0.00 N ATOM 873 CA ALA A 57 13.087 11.877 -19.492 1.00 0.00 C ATOM 874 C ALA A 57 13.468 13.198 -18.808 1.00 0.00 C ATOM 875 O ALA A 57 13.348 13.344 -17.589 1.00 0.00 O ATOM 876 CB ALA A 57 11.851 12.079 -20.377 1.00 0.00 C ATOM 0 H ALA A 57 11.860 10.503 -18.495 1.00 0.00 H new ATOM 0 HA ALA A 57 13.936 11.576 -20.105 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.042 12.879 -21.092 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.634 11.156 -20.915 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.997 12.346 -19.754 1.00 0.00 H new ATOM 882 N LYS A 58 13.933 14.146 -19.631 1.00 0.00 N ATOM 883 CA LYS A 58 14.279 15.508 -19.201 1.00 0.00 C ATOM 884 C LYS A 58 13.050 16.206 -18.560 1.00 0.00 C ATOM 885 O LYS A 58 12.071 16.556 -19.232 1.00 0.00 O ATOM 886 CB LYS A 58 14.832 16.316 -20.412 1.00 0.00 C ATOM 887 CG LYS A 58 13.941 16.256 -21.675 1.00 0.00 C ATOM 888 CD LYS A 58 14.574 16.932 -22.906 1.00 0.00 C ATOM 889 CE LYS A 58 14.749 18.449 -22.738 1.00 0.00 C ATOM 890 NZ LYS A 58 15.196 19.095 -24.004 1.00 0.00 N ATOM 0 H LYS A 58 14.082 13.987 -20.628 1.00 0.00 H new ATOM 0 HA LYS A 58 15.058 15.460 -18.440 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.952 17.358 -20.115 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.824 15.940 -20.663 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.729 15.213 -21.912 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.986 16.734 -21.459 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.546 16.480 -23.101 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.951 16.739 -23.779 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.806 18.891 -22.417 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.477 18.647 -21.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.222 20.127 -23.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.146 18.753 -24.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.532 18.857 -24.768 1.00 0.00 H new ATOM 904 N LEU A 59 13.092 16.314 -17.236 1.00 0.00 N ATOM 905 CA LEU A 59 12.079 17.015 -16.453 1.00 0.00 C ATOM 906 C LEU A 59 12.390 18.517 -16.425 1.00 0.00 C ATOM 907 O LEU A 59 13.556 18.926 -16.314 1.00 0.00 O ATOM 908 CB LEU A 59 12.006 16.445 -15.014 1.00 0.00 C ATOM 909 CG LEU A 59 10.926 17.094 -14.088 1.00 0.00 C ATOM 910 CD1 LEU A 59 9.505 16.921 -14.684 1.00 0.00 C ATOM 911 CD2 LEU A 59 11.008 16.535 -12.649 1.00 0.00 C ATOM 0 H LEU A 59 13.839 15.913 -16.669 1.00 0.00 H new ATOM 0 HA LEU A 59 11.107 16.865 -16.923 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.811 15.374 -15.075 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.982 16.565 -14.544 1.00 0.00 H new ATOM 0 HG LEU A 59 11.134 18.163 -14.033 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.773 17.381 -14.020 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.460 17.400 -15.662 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.282 15.859 -14.790 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.244 17.007 -12.031 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.845 15.457 -12.667 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.993 16.746 -12.232 1.00 0.00 H new ATOM 923 N CYS A 60 11.338 19.336 -16.524 1.00 0.00 N ATOM 924 CA CYS A 60 11.455 20.784 -16.542 1.00 0.00 C ATOM 925 C CYS A 60 11.296 21.338 -15.117 1.00 0.00 C ATOM 926 O CYS A 60 10.183 21.388 -14.576 1.00 0.00 O ATOM 927 CB CYS A 60 10.408 21.386 -17.488 1.00 0.00 C ATOM 928 SG CYS A 60 10.575 23.163 -17.672 1.00 0.00 S ATOM 0 H CYS A 60 10.377 19.002 -16.594 1.00 0.00 H new ATOM 0 HA CYS A 60 12.443 21.062 -16.910 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.496 20.914 -18.467 1.00 0.00 H new ATOM 0 HB3 CYS A 60 9.411 21.157 -17.112 1.00 0.00 H new ATOM 0 HG CYS A 60 10.483 23.480 -18.929 1.00 0.00 H new