USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 497 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 13 LYS NZ :NH3+ -145:sc= 0.458 (180deg=-0.0254) USER MOD Set 1.2: A 54 ASN : amide:sc= -5.13! C(o=-4.7!,f=-21!) USER MOD Set 2.1: A 16 SER OG : rot -126:sc= 0.361 USER MOD Set 2.2: A 18 SER OG : rot 119:sc= 2.18 USER MOD Single : A 5 ASN : amide:sc= -4.34! C(o=-4.3!,f=-19!) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= -0.273 (180deg=-1.04) USER MOD Single : A 12 LYS NZ :NH3+ 157:sc= -0.0843 (180deg=-0.508) USER MOD Single : A 14 LYS NZ :NH3+ -144:sc= 0.235 (180deg=-1.59!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -2.51! C(o=-2.5!,f=-14!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 32 ASN : amide:sc= -1.97! X(o=-2!,f=-1.5) USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= 0.198! (180deg=-1.09!) USER MOD Single : A 37 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -4.43! C(o=-4.4!,f=-8.1!) USER MOD Single : A 42 SER OG : rot 140:sc= 1.1 USER MOD Single : A 44 GLN : amide:sc= 0.44! C(o=0.44!,f=-8.8!) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.137) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -100:sc= -2.11 USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -6.038 -3.101 7.679 1.00 0.00 N ATOM 71 CA ASN A 5 -4.746 -3.386 8.252 1.00 0.00 C ATOM 72 C ASN A 5 -3.862 -4.062 7.235 1.00 0.00 C ATOM 73 O ASN A 5 -4.267 -5.037 6.597 1.00 0.00 O ATOM 74 CB ASN A 5 -4.888 -4.262 9.500 1.00 0.00 C ATOM 75 CG ASN A 5 -3.551 -4.362 10.230 1.00 0.00 C ATOM 76 OD1 ASN A 5 -2.494 -4.145 9.633 1.00 0.00 O ATOM 77 ND2 ASN A 5 -3.528 -4.683 11.478 1.00 0.00 N ATOM 0 HA ASN A 5 -4.285 -2.443 8.547 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.643 -3.841 10.164 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.231 -5.257 9.217 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.637 -4.757 11.969 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.401 -4.863 11.974 1.00 0.00 H new ATOM 84 N LEU A 6 -2.621 -3.633 7.174 1.00 0.00 N ATOM 85 CA LEU A 6 -1.649 -4.267 6.306 1.00 0.00 C ATOM 86 C LEU A 6 -1.457 -5.707 6.734 1.00 0.00 C ATOM 87 O LEU A 6 -1.191 -6.582 5.920 1.00 0.00 O ATOM 88 CB LEU A 6 -0.324 -3.504 6.311 1.00 0.00 C ATOM 89 CG LEU A 6 -0.555 -2.087 5.748 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.739 -1.275 5.812 1.00 0.00 C ATOM 91 CD2 LEU A 6 -1.033 -2.170 4.288 1.00 0.00 C ATOM 0 H LEU A 6 -2.259 -2.847 7.715 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.022 -4.250 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.072 -3.446 7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.416 -4.032 5.709 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.318 -1.595 6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.562 -0.277 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.069 -1.197 6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.510 -1.771 5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.193 -1.164 3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.278 -2.675 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.967 -2.730 4.242 1.00 0.00 H new ATOM 103 N LYS A 7 -1.726 -5.957 8.001 1.00 0.00 N ATOM 104 CA LYS A 7 -1.695 -7.306 8.562 1.00 0.00 C ATOM 105 C LYS A 7 -2.498 -8.272 7.699 1.00 0.00 C ATOM 106 O LYS A 7 -2.027 -9.361 7.359 1.00 0.00 O ATOM 107 CB LYS A 7 -2.318 -7.242 9.968 1.00 0.00 C ATOM 108 CG LYS A 7 -2.723 -8.633 10.462 1.00 0.00 C ATOM 109 CD LYS A 7 -3.242 -8.533 11.890 1.00 0.00 C ATOM 110 CE LYS A 7 -3.718 -9.912 12.363 1.00 0.00 C ATOM 111 NZ LYS A 7 -2.768 -10.959 11.884 1.00 0.00 N ATOM 0 H LYS A 7 -1.973 -5.234 8.676 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.666 -7.663 8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.605 -6.800 10.664 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.192 -6.591 9.951 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.492 -9.052 9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.868 -9.308 10.421 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.456 -8.163 12.548 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.062 -7.817 11.940 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.781 -9.933 13.451 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.719 -10.113 11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.914 -11.834 12.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.936 -11.145 10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.791 -10.628 12.017 1.00 0.00 H new ATOM 125 N LEU A 8 -3.681 -7.859 7.327 1.00 0.00 N ATOM 126 CA LEU A 8 -4.516 -8.653 6.456 1.00 0.00 C ATOM 127 C LEU A 8 -3.858 -8.778 5.095 1.00 0.00 C ATOM 128 O LEU A 8 -3.887 -9.832 4.450 1.00 0.00 O ATOM 129 CB LEU A 8 -5.895 -8.012 6.350 1.00 0.00 C ATOM 130 CG LEU A 8 -6.595 -8.119 7.713 1.00 0.00 C ATOM 131 CD1 LEU A 8 -7.859 -7.262 7.711 1.00 0.00 C ATOM 132 CD2 LEU A 8 -6.986 -9.576 7.970 1.00 0.00 C ATOM 0 H LEU A 8 -4.093 -6.971 7.615 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.637 -9.655 6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.804 -6.967 6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.486 -8.511 5.582 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.917 -7.772 8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.353 -7.340 8.679 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.593 -6.222 7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.534 -7.611 6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.483 -9.654 8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.663 -9.915 7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.091 -10.198 7.971 1.00 0.00 H new ATOM 144 N ILE A 9 -3.262 -7.689 4.666 1.00 0.00 N ATOM 145 CA ILE A 9 -2.582 -7.620 3.393 1.00 0.00 C ATOM 146 C ILE A 9 -1.394 -8.584 3.376 1.00 0.00 C ATOM 147 O ILE A 9 -1.126 -9.246 2.364 1.00 0.00 O ATOM 148 CB ILE A 9 -2.098 -6.185 3.125 1.00 0.00 C ATOM 149 CG1 ILE A 9 -3.273 -5.200 3.261 1.00 0.00 C ATOM 150 CG2 ILE A 9 -1.513 -6.095 1.716 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.418 -5.575 2.323 1.00 0.00 C ATOM 0 H ILE A 9 -3.235 -6.818 5.196 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.282 -7.908 2.608 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.330 -5.926 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.630 -5.195 4.291 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.932 -4.189 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.171 -5.077 1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.672 -6.783 1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.278 -6.361 0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.234 -4.862 2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.065 -5.555 1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.774 -6.576 2.565 1.00 0.00 H new ATOM 163 N ARG A 10 -0.644 -8.613 4.473 1.00 0.00 N ATOM 164 CA ARG A 10 0.568 -9.426 4.541 1.00 0.00 C ATOM 165 C ARG A 10 0.234 -10.857 4.169 1.00 0.00 C ATOM 166 O ARG A 10 0.893 -11.452 3.324 1.00 0.00 O ATOM 167 CB ARG A 10 1.139 -9.413 5.973 1.00 0.00 C ATOM 168 CG ARG A 10 1.543 -8.000 6.387 1.00 0.00 C ATOM 169 CD ARG A 10 2.761 -7.513 5.602 1.00 0.00 C ATOM 170 NE ARG A 10 2.934 -6.088 5.855 1.00 0.00 N ATOM 171 CZ ARG A 10 3.536 -5.272 4.992 1.00 0.00 C ATOM 172 NH1 ARG A 10 4.258 -5.754 4.015 1.00 0.00 N ATOM 173 NH2 ARG A 10 3.447 -3.983 5.161 1.00 0.00 N ATOM 0 H ARG A 10 -0.851 -8.087 5.322 1.00 0.00 H new ATOM 0 HA ARG A 10 1.305 -9.015 3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.395 -9.801 6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.004 -10.074 6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.708 -7.319 6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.765 -7.982 7.454 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.652 -8.063 5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.622 -7.695 4.536 1.00 0.00 H new ATOM 0 HE ARG A 10 2.579 -5.700 6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.364 -6.763 3.909 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.715 -5.121 3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.920 -3.607 5.949 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.905 -3.350 4.505 1.00 0.00 H new ATOM 187 N GLU A 11 -0.851 -11.363 4.721 1.00 0.00 N ATOM 188 CA GLU A 11 -1.301 -12.696 4.391 1.00 0.00 C ATOM 189 C GLU A 11 -1.749 -12.785 2.945 1.00 0.00 C ATOM 190 O GLU A 11 -1.391 -13.736 2.243 1.00 0.00 O ATOM 191 CB GLU A 11 -2.394 -13.159 5.350 1.00 0.00 C ATOM 192 CG GLU A 11 -1.764 -13.411 6.730 1.00 0.00 C ATOM 193 CD GLU A 11 -2.820 -13.783 7.757 1.00 0.00 C ATOM 194 OE1 GLU A 11 -3.983 -13.629 7.471 1.00 0.00 O ATOM 195 OE2 GLU A 11 -2.446 -14.185 8.832 1.00 0.00 O ATOM 0 H GLU A 11 -1.434 -10.871 5.398 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.455 -13.373 4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.177 -12.404 5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.863 -14.069 4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.028 -14.211 6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.232 -12.518 7.058 1.00 0.00 H new ATOM 202 N LYS A 12 -2.442 -11.762 2.462 1.00 0.00 N ATOM 203 CA LYS A 12 -2.823 -11.732 1.052 1.00 0.00 C ATOM 204 C LYS A 12 -1.575 -11.689 0.173 1.00 0.00 C ATOM 205 O LYS A 12 -1.459 -12.448 -0.790 1.00 0.00 O ATOM 206 CB LYS A 12 -3.777 -10.571 0.729 1.00 0.00 C ATOM 207 CG LYS A 12 -5.130 -10.836 1.414 1.00 0.00 C ATOM 208 CD LYS A 12 -6.149 -9.752 1.027 1.00 0.00 C ATOM 209 CE LYS A 12 -5.811 -8.427 1.715 1.00 0.00 C ATOM 210 NZ LYS A 12 -6.924 -7.464 1.503 1.00 0.00 N ATOM 0 H LYS A 12 -2.747 -10.958 3.010 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.372 -12.648 0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.356 -9.628 1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.911 -10.481 -0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.506 -11.817 1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.000 -10.852 2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.151 -9.617 -0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.152 -10.070 1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.653 -8.588 2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.883 -8.022 1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.904 -6.740 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.816 -7.007 0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.832 -7.970 1.536 1.00 0.00 H new ATOM 224 N LYS A 13 -0.582 -10.915 0.606 1.00 0.00 N ATOM 225 CA LYS A 13 0.722 -10.900 -0.063 1.00 0.00 C ATOM 226 C LYS A 13 1.469 -12.197 0.178 1.00 0.00 C ATOM 227 O LYS A 13 2.545 -12.413 -0.384 1.00 0.00 O ATOM 228 CB LYS A 13 1.589 -9.703 0.378 1.00 0.00 C ATOM 229 CG LYS A 13 1.614 -8.619 -0.713 1.00 0.00 C ATOM 230 CD LYS A 13 2.250 -9.203 -1.994 1.00 0.00 C ATOM 231 CE LYS A 13 2.664 -8.083 -2.952 1.00 0.00 C ATOM 232 NZ LYS A 13 2.593 -8.584 -4.346 1.00 0.00 N ATOM 0 H LYS A 13 -0.652 -10.293 1.411 1.00 0.00 H new ATOM 0 HA LYS A 13 0.526 -10.794 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.196 -9.285 1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.604 -10.040 0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.602 -8.272 -0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.184 -7.755 -0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.120 -9.804 -1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.541 -9.867 -2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.008 -7.221 -2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.676 -7.748 -2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.355 -8.154 -4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.701 -9.618 -4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.673 -8.331 -4.759 1.00 0.00 H new ATOM 246 N LYS A 14 0.908 -13.043 1.028 1.00 0.00 N ATOM 247 CA LYS A 14 1.500 -14.330 1.365 1.00 0.00 C ATOM 248 C LYS A 14 2.694 -14.140 2.285 1.00 0.00 C ATOM 249 O LYS A 14 3.716 -14.835 2.164 1.00 0.00 O ATOM 250 CB LYS A 14 1.902 -15.113 0.097 1.00 0.00 C ATOM 251 CG LYS A 14 0.731 -15.142 -0.903 1.00 0.00 C ATOM 252 CD LYS A 14 -0.484 -15.856 -0.288 1.00 0.00 C ATOM 253 CE LYS A 14 -1.611 -15.929 -1.322 1.00 0.00 C ATOM 254 NZ LYS A 14 -1.981 -14.555 -1.766 1.00 0.00 N ATOM 0 H LYS A 14 0.026 -12.856 1.506 1.00 0.00 H new ATOM 0 HA LYS A 14 0.748 -14.919 1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.773 -14.649 -0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.187 -16.131 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.459 -14.124 -1.183 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.037 -15.653 -1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.205 -16.860 0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.824 -15.320 0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.293 -16.524 -2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.479 -16.428 -0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.007 -14.508 -1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.716 -13.869 -1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.478 -14.328 -2.648 1.00 0.00 H new ATOM 268 N ILE A 15 2.557 -13.193 3.199 1.00 0.00 N ATOM 269 CA ILE A 15 3.578 -12.900 4.183 1.00 0.00 C ATOM 270 C ILE A 15 3.061 -13.322 5.555 1.00 0.00 C ATOM 271 O ILE A 15 2.079 -12.756 6.051 1.00 0.00 O ATOM 272 CB ILE A 15 3.852 -11.381 4.188 1.00 0.00 C ATOM 273 CG1 ILE A 15 4.236 -10.928 2.780 1.00 0.00 C ATOM 274 CG2 ILE A 15 4.998 -11.040 5.151 1.00 0.00 C ATOM 275 CD1 ILE A 15 4.385 -9.408 2.767 1.00 0.00 C ATOM 0 H ILE A 15 1.728 -12.604 3.277 1.00 0.00 H new ATOM 0 HA ILE A 15 4.497 -13.436 3.947 1.00 0.00 H new ATOM 0 HB ILE A 15 2.948 -10.868 4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.170 -11.400 2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.474 -11.237 2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.175 -9.965 5.140 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.730 -11.353 6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.903 -11.560 4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.659 -9.078 1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.440 -8.947 3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.162 -9.113 3.472 1.00 0.00 H new ATOM 287 N SER A 16 3.735 -14.261 6.187 1.00 0.00 N ATOM 288 CA SER A 16 3.348 -14.694 7.510 1.00 0.00 C ATOM 289 C SER A 16 3.904 -13.732 8.548 1.00 0.00 C ATOM 290 O SER A 16 4.765 -12.888 8.240 1.00 0.00 O ATOM 291 CB SER A 16 3.827 -16.141 7.771 1.00 0.00 C ATOM 292 OG SER A 16 4.008 -16.368 9.180 1.00 0.00 O ATOM 0 H SER A 16 4.552 -14.737 5.805 1.00 0.00 H new ATOM 0 HA SER A 16 2.261 -14.690 7.584 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.099 -16.848 7.374 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.765 -16.320 7.245 1.00 0.00 H new ATOM 0 HG SER A 16 4.913 -16.706 9.343 1.00 0.00 H new ATOM 298 N GLN A 17 3.485 -13.915 9.787 1.00 0.00 N ATOM 299 CA GLN A 17 3.981 -13.110 10.879 1.00 0.00 C ATOM 300 C GLN A 17 5.483 -13.238 10.923 1.00 0.00 C ATOM 301 O GLN A 17 6.190 -12.272 11.182 1.00 0.00 O ATOM 302 CB GLN A 17 3.372 -13.590 12.208 1.00 0.00 C ATOM 303 CG GLN A 17 1.872 -13.300 12.207 1.00 0.00 C ATOM 304 CD GLN A 17 1.220 -13.875 13.455 1.00 0.00 C ATOM 305 OE1 GLN A 17 1.169 -15.092 13.622 1.00 0.00 O ATOM 306 NE2 GLN A 17 0.717 -13.080 14.336 1.00 0.00 N ATOM 0 H GLN A 17 2.799 -14.619 10.059 1.00 0.00 H new ATOM 0 HA GLN A 17 3.700 -12.067 10.729 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.548 -14.658 12.338 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.852 -13.084 13.046 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.703 -12.224 12.164 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.412 -13.731 11.317 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.760 -12.071 14.196 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.276 -13.460 15.173 1.00 0.00 H new ATOM 315 N SER A 18 5.959 -14.424 10.592 1.00 0.00 N ATOM 316 CA SER A 18 7.378 -14.703 10.539 1.00 0.00 C ATOM 317 C SER A 18 8.084 -13.785 9.537 1.00 0.00 C ATOM 318 O SER A 18 9.066 -13.121 9.875 1.00 0.00 O ATOM 319 CB SER A 18 7.553 -16.159 10.123 1.00 0.00 C ATOM 320 OG SER A 18 6.444 -16.527 9.271 1.00 0.00 O ATOM 0 H SER A 18 5.370 -15.221 10.352 1.00 0.00 H new ATOM 0 HA SER A 18 7.823 -14.524 11.518 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.497 -16.292 9.595 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.586 -16.803 11.002 1.00 0.00 H new ATOM 0 HG SER A 18 6.781 -16.780 8.386 1.00 0.00 H new ATOM 326 N GLU A 19 7.534 -13.688 8.335 1.00 0.00 N ATOM 327 CA GLU A 19 8.088 -12.799 7.322 1.00 0.00 C ATOM 328 C GLU A 19 7.881 -11.355 7.725 1.00 0.00 C ATOM 329 O GLU A 19 8.775 -10.523 7.591 1.00 0.00 O ATOM 330 CB GLU A 19 7.471 -13.070 5.956 1.00 0.00 C ATOM 331 CG GLU A 19 7.868 -14.469 5.492 1.00 0.00 C ATOM 332 CD GLU A 19 6.841 -15.469 5.977 1.00 0.00 C ATOM 333 OE1 GLU A 19 5.792 -15.543 5.372 1.00 0.00 O ATOM 334 OE2 GLU A 19 7.103 -16.141 6.952 1.00 0.00 O ATOM 0 H GLU A 19 6.710 -14.210 8.038 1.00 0.00 H new ATOM 0 HA GLU A 19 9.158 -12.992 7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.386 -12.987 6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.811 -12.325 5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.935 -14.498 4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.854 -14.727 5.879 1.00 0.00 H new ATOM 341 N LEU A 20 6.728 -11.078 8.297 1.00 0.00 N ATOM 342 CA LEU A 20 6.445 -9.746 8.810 1.00 0.00 C ATOM 343 C LEU A 20 7.442 -9.439 9.921 1.00 0.00 C ATOM 344 O LEU A 20 8.038 -8.363 9.969 1.00 0.00 O ATOM 345 CB LEU A 20 5.010 -9.677 9.354 1.00 0.00 C ATOM 346 CG LEU A 20 4.695 -8.253 9.841 1.00 0.00 C ATOM 347 CD1 LEU A 20 4.821 -7.258 8.679 1.00 0.00 C ATOM 348 CD2 LEU A 20 3.273 -8.207 10.401 1.00 0.00 C ATOM 0 H LEU A 20 5.972 -11.751 8.420 1.00 0.00 H new ATOM 0 HA LEU A 20 6.539 -9.013 8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.304 -9.968 8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.890 -10.385 10.174 1.00 0.00 H new ATOM 0 HG LEU A 20 5.405 -7.980 10.622 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.596 -6.253 9.035 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.837 -7.285 8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.119 -7.529 7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.050 -7.197 10.746 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.565 -8.488 9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.188 -8.903 11.236 1.00 0.00 H new ATOM 360 N ALA A 21 7.673 -10.429 10.768 1.00 0.00 N ATOM 361 CA ALA A 21 8.642 -10.308 11.843 1.00 0.00 C ATOM 362 C ALA A 21 10.009 -10.008 11.268 1.00 0.00 C ATOM 363 O ALA A 21 10.784 -9.268 11.864 1.00 0.00 O ATOM 364 CB ALA A 21 8.704 -11.590 12.680 1.00 0.00 C ATOM 0 H ALA A 21 7.198 -11.331 10.730 1.00 0.00 H new ATOM 0 HA ALA A 21 8.329 -9.491 12.493 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.438 -11.469 13.477 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.725 -11.788 13.116 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.994 -12.426 12.044 1.00 0.00 H new ATOM 370 N ALA A 22 10.288 -10.564 10.087 1.00 0.00 N ATOM 371 CA ALA A 22 11.558 -10.324 9.415 1.00 0.00 C ATOM 372 C ALA A 22 11.762 -8.832 9.238 1.00 0.00 C ATOM 373 O ALA A 22 12.818 -8.291 9.570 1.00 0.00 O ATOM 374 CB ALA A 22 11.589 -11.011 8.044 1.00 0.00 C ATOM 0 H ALA A 22 9.652 -11.180 9.581 1.00 0.00 H new ATOM 0 HA ALA A 22 12.358 -10.738 10.028 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.547 -10.817 7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.458 -12.085 8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.784 -10.619 7.422 1.00 0.00 H new ATOM 380 N LEU A 23 10.716 -8.153 8.795 1.00 0.00 N ATOM 381 CA LEU A 23 10.755 -6.702 8.664 1.00 0.00 C ATOM 382 C LEU A 23 10.938 -6.071 10.041 1.00 0.00 C ATOM 383 O LEU A 23 11.614 -5.050 10.189 1.00 0.00 O ATOM 384 CB LEU A 23 9.466 -6.176 8.019 1.00 0.00 C ATOM 385 CG LEU A 23 9.382 -6.643 6.555 1.00 0.00 C ATOM 386 CD1 LEU A 23 8.018 -6.257 5.968 1.00 0.00 C ATOM 387 CD2 LEU A 23 10.491 -5.975 5.729 1.00 0.00 C ATOM 0 H LEU A 23 9.831 -8.580 8.520 1.00 0.00 H new ATOM 0 HA LEU A 23 11.594 -6.433 8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.599 -6.535 8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.445 -5.087 8.064 1.00 0.00 H new ATOM 0 HG LEU A 23 9.505 -7.726 6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.961 -6.589 4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.226 -6.733 6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.897 -5.175 6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.426 -6.310 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.372 -4.892 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.464 -6.248 6.138 1.00 0.00 H new ATOM 399 N LEU A 24 10.273 -6.655 11.031 1.00 0.00 N ATOM 400 CA LEU A 24 10.278 -6.134 12.396 1.00 0.00 C ATOM 401 C LEU A 24 11.426 -6.686 13.251 1.00 0.00 C ATOM 402 O LEU A 24 11.355 -6.638 14.485 1.00 0.00 O ATOM 403 CB LEU A 24 8.923 -6.372 13.083 1.00 0.00 C ATOM 404 CG LEU A 24 7.835 -5.497 12.432 1.00 0.00 C ATOM 405 CD1 LEU A 24 6.451 -5.850 12.990 1.00 0.00 C ATOM 406 CD2 LEU A 24 8.128 -4.006 12.671 1.00 0.00 C ATOM 0 H LEU A 24 9.716 -7.501 10.912 1.00 0.00 H new ATOM 0 HA LEU A 24 10.446 -5.060 12.310 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.648 -7.424 13.006 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.000 -6.139 14.145 1.00 0.00 H new ATOM 0 HG LEU A 24 7.842 -5.692 11.360 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.697 -5.221 12.517 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.231 -6.897 12.783 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.440 -5.683 14.067 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.349 -3.403 12.204 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.148 -3.806 13.742 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.094 -3.751 12.236 1.00 0.00 H new ATOM 418 N GLU A 25 12.447 -7.269 12.621 1.00 0.00 N ATOM 419 CA GLU A 25 13.581 -7.817 13.380 1.00 0.00 C ATOM 420 C GLU A 25 14.302 -6.744 14.189 1.00 0.00 C ATOM 421 O GLU A 25 15.098 -7.061 15.086 1.00 0.00 O ATOM 422 CB GLU A 25 14.547 -8.618 12.509 1.00 0.00 C ATOM 423 CG GLU A 25 13.869 -9.935 12.121 1.00 0.00 C ATOM 424 CD GLU A 25 14.774 -10.799 11.273 1.00 0.00 C ATOM 425 OE1 GLU A 25 15.872 -10.379 10.974 1.00 0.00 O ATOM 426 OE2 GLU A 25 14.362 -11.882 10.944 1.00 0.00 O ATOM 0 H GLU A 25 12.516 -7.375 11.609 1.00 0.00 H new ATOM 0 HA GLU A 25 13.153 -8.523 14.092 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.813 -8.051 11.617 1.00 0.00 H new ATOM 0 HB3 GLU A 25 15.473 -8.813 13.050 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.586 -10.479 13.023 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.950 -9.724 11.575 1.00 0.00 H new ATOM 433 N VAL A 26 13.898 -5.498 13.992 1.00 0.00 N ATOM 434 CA VAL A 26 14.359 -4.403 14.828 1.00 0.00 C ATOM 435 C VAL A 26 13.232 -4.062 15.785 1.00 0.00 C ATOM 436 O VAL A 26 12.062 -4.225 15.441 1.00 0.00 O ATOM 437 CB VAL A 26 14.734 -3.178 13.974 1.00 0.00 C ATOM 438 CG1 VAL A 26 15.966 -3.505 13.130 1.00 0.00 C ATOM 439 CG2 VAL A 26 13.570 -2.805 13.044 1.00 0.00 C ATOM 0 H VAL A 26 13.248 -5.221 13.256 1.00 0.00 H new ATOM 0 HA VAL A 26 15.255 -4.695 15.376 1.00 0.00 H new ATOM 0 HB VAL A 26 14.948 -2.338 14.635 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.233 -2.639 12.525 1.00 0.00 H new ATOM 0 HG12 VAL A 26 16.799 -3.760 13.785 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.746 -4.350 12.477 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.847 -1.937 12.445 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.347 -3.644 12.385 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.689 -2.568 13.641 1.00 0.00 H new ATOM 449 N SER A 27 13.574 -3.811 17.036 1.00 0.00 N ATOM 450 CA SER A 27 12.569 -3.698 18.074 1.00 0.00 C ATOM 451 C SER A 27 11.412 -2.815 17.635 1.00 0.00 C ATOM 452 O SER A 27 11.572 -1.619 17.378 1.00 0.00 O ATOM 453 CB SER A 27 13.201 -3.196 19.365 1.00 0.00 C ATOM 454 OG SER A 27 14.208 -4.135 19.777 1.00 0.00 O ATOM 0 H SER A 27 14.534 -3.682 17.355 1.00 0.00 H new ATOM 0 HA SER A 27 12.155 -4.689 18.261 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.642 -2.211 19.212 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.443 -3.089 20.141 1.00 0.00 H new ATOM 0 HG SER A 27 14.625 -3.824 20.607 1.00 0.00 H new ATOM 460 N ARG A 28 10.253 -3.430 17.576 1.00 0.00 N ATOM 461 CA ARG A 28 9.007 -2.793 17.172 1.00 0.00 C ATOM 462 C ARG A 28 8.582 -1.775 18.223 1.00 0.00 C ATOM 463 O ARG A 28 7.822 -0.852 17.943 1.00 0.00 O ATOM 464 CB ARG A 28 7.924 -3.874 17.098 1.00 0.00 C ATOM 465 CG ARG A 28 8.281 -4.909 16.038 1.00 0.00 C ATOM 466 CD ARG A 28 7.265 -6.052 16.107 1.00 0.00 C ATOM 467 NE ARG A 28 7.455 -6.804 17.346 1.00 0.00 N ATOM 468 CZ ARG A 28 6.546 -7.664 17.811 1.00 0.00 C ATOM 469 NH1 ARG A 28 5.422 -7.843 17.171 1.00 0.00 N ATOM 470 NH2 ARG A 28 6.782 -8.326 18.906 1.00 0.00 N ATOM 0 H ARG A 28 10.141 -4.416 17.813 1.00 0.00 H new ATOM 0 HA ARG A 28 9.143 -2.297 16.211 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.818 -4.359 18.068 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.962 -3.419 16.862 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.272 -4.454 15.047 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.289 -5.289 16.205 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.251 -5.654 16.063 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.386 -6.711 15.248 1.00 0.00 H new ATOM 0 HE ARG A 28 8.316 -6.666 17.876 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.236 -7.325 16.312 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.730 -8.501 17.530 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.660 -8.187 19.407 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.089 -8.984 19.264 1.00 0.00 H new ATOM 484 N GLN A 29 8.838 -2.152 19.466 1.00 0.00 N ATOM 485 CA GLN A 29 8.223 -1.537 20.642 1.00 0.00 C ATOM 486 C GLN A 29 8.112 -0.022 20.561 1.00 0.00 C ATOM 487 O GLN A 29 7.023 0.528 20.755 1.00 0.00 O ATOM 488 CB GLN A 29 8.955 -1.948 21.943 1.00 0.00 C ATOM 489 CG GLN A 29 10.266 -2.698 21.637 1.00 0.00 C ATOM 490 CD GLN A 29 9.974 -4.106 21.130 1.00 0.00 C ATOM 491 OE1 GLN A 29 9.942 -4.328 19.922 1.00 0.00 O ATOM 492 NE2 GLN A 29 9.742 -5.059 21.968 1.00 0.00 N ATOM 0 H GLN A 29 9.488 -2.904 19.694 1.00 0.00 H new ATOM 0 HA GLN A 29 7.204 -1.922 20.663 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.172 -1.060 22.536 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.303 -2.582 22.544 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.840 -2.149 20.890 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.880 -2.750 22.536 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.769 -4.874 22.971 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.532 -5.997 21.628 1.00 0.00 H new ATOM 501 N THR A 30 9.219 0.656 20.363 1.00 0.00 N ATOM 502 CA THR A 30 9.197 2.107 20.396 1.00 0.00 C ATOM 503 C THR A 30 8.275 2.671 19.326 1.00 0.00 C ATOM 504 O THR A 30 7.322 3.391 19.631 1.00 0.00 O ATOM 505 CB THR A 30 10.612 2.640 20.215 1.00 0.00 C ATOM 506 OG1 THR A 30 11.248 1.914 19.166 1.00 0.00 O ATOM 507 CG2 THR A 30 11.394 2.441 21.513 1.00 0.00 C ATOM 0 H THR A 30 10.132 0.240 20.180 1.00 0.00 H new ATOM 0 HA THR A 30 8.810 2.426 21.364 1.00 0.00 H new ATOM 0 HB THR A 30 10.581 3.701 19.966 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.160 2.251 19.041 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.408 2.821 21.389 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.901 2.981 22.321 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.432 1.379 21.756 1.00 0.00 H new ATOM 515 N ILE A 31 8.479 2.247 18.097 1.00 0.00 N ATOM 516 CA ILE A 31 7.605 2.649 17.015 1.00 0.00 C ATOM 517 C ILE A 31 6.198 2.101 17.267 1.00 0.00 C ATOM 518 O ILE A 31 5.212 2.827 17.224 1.00 0.00 O ATOM 519 CB ILE A 31 8.171 2.168 15.664 1.00 0.00 C ATOM 520 CG1 ILE A 31 9.477 2.918 15.370 1.00 0.00 C ATOM 521 CG2 ILE A 31 7.171 2.472 14.541 1.00 0.00 C ATOM 522 CD1 ILE A 31 10.189 2.280 14.170 1.00 0.00 C ATOM 0 H ILE A 31 9.240 1.626 17.822 1.00 0.00 H new ATOM 0 HA ILE A 31 7.546 3.737 16.974 1.00 0.00 H new ATOM 0 HB ILE A 31 8.351 1.094 15.715 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.265 3.967 15.162 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.126 2.891 16.245 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.577 2.130 13.589 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.232 1.957 14.741 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.992 3.546 14.494 1.00 0.00 H new ATOM 0 HD11 ILE A 31 11.115 2.818 13.968 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.417 1.238 14.394 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.542 2.330 13.294 1.00 0.00 H new ATOM 534 N ASN A 32 6.136 0.848 17.674 1.00 0.00 N ATOM 535 CA ASN A 32 4.863 0.198 17.978 1.00 0.00 C ATOM 536 C ASN A 32 4.095 1.023 18.982 1.00 0.00 C ATOM 537 O ASN A 32 2.872 1.157 18.880 1.00 0.00 O ATOM 538 CB ASN A 32 5.102 -1.217 18.534 1.00 0.00 C ATOM 539 CG ASN A 32 3.790 -1.924 18.895 1.00 0.00 C ATOM 540 OD1 ASN A 32 3.819 -3.085 19.306 1.00 0.00 O ATOM 541 ND2 ASN A 32 2.651 -1.311 18.776 1.00 0.00 N ATOM 0 H ASN A 32 6.953 0.252 17.804 1.00 0.00 H new ATOM 0 HA ASN A 32 4.282 0.117 17.059 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.642 -1.810 17.795 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.736 -1.156 19.419 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.785 -1.791 19.022 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.622 -0.350 18.436 1.00 0.00 H new ATOM 548 N GLY A 33 4.801 1.583 19.945 1.00 0.00 N ATOM 549 CA GLY A 33 4.155 2.390 20.958 1.00 0.00 C ATOM 550 C GLY A 33 3.379 3.531 20.316 1.00 0.00 C ATOM 551 O GLY A 33 2.169 3.652 20.525 1.00 0.00 O ATOM 0 H GLY A 33 5.812 1.495 20.046 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.480 1.771 21.549 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.902 2.791 21.643 1.00 0.00 H new ATOM 555 N ILE A 34 4.038 4.298 19.446 1.00 0.00 N ATOM 556 CA ILE A 34 3.350 5.378 18.751 1.00 0.00 C ATOM 557 C ILE A 34 2.356 4.835 17.742 1.00 0.00 C ATOM 558 O ILE A 34 1.248 5.370 17.601 1.00 0.00 O ATOM 559 CB ILE A 34 4.335 6.348 18.063 1.00 0.00 C ATOM 560 CG1 ILE A 34 5.173 5.616 17.004 1.00 0.00 C ATOM 561 CG2 ILE A 34 5.287 6.953 19.099 1.00 0.00 C ATOM 562 CD1 ILE A 34 5.941 6.642 16.168 1.00 0.00 C ATOM 0 H ILE A 34 5.025 4.193 19.212 1.00 0.00 H new ATOM 0 HA ILE A 34 2.806 5.941 19.509 1.00 0.00 H new ATOM 0 HB ILE A 34 3.750 7.133 17.584 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.868 4.929 17.486 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.526 5.018 16.362 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.978 7.636 18.604 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.712 7.498 19.847 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.850 6.156 19.585 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.537 6.125 15.415 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.236 7.311 15.676 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.598 7.221 16.817 1.00 0.00 H new ATOM 574 N GLU A 35 2.760 3.788 17.024 1.00 0.00 N ATOM 575 CA GLU A 35 1.935 3.246 15.960 1.00 0.00 C ATOM 576 C GLU A 35 0.560 2.901 16.478 1.00 0.00 C ATOM 577 O GLU A 35 -0.435 3.189 15.833 1.00 0.00 O ATOM 578 CB GLU A 35 2.583 1.984 15.359 1.00 0.00 C ATOM 579 CG GLU A 35 3.895 2.339 14.635 1.00 0.00 C ATOM 580 CD GLU A 35 3.624 3.219 13.441 1.00 0.00 C ATOM 581 OE1 GLU A 35 2.891 2.796 12.576 1.00 0.00 O ATOM 582 OE2 GLU A 35 4.169 4.302 13.396 1.00 0.00 O ATOM 0 H GLU A 35 3.648 3.305 17.163 1.00 0.00 H new ATOM 0 HA GLU A 35 1.847 4.007 15.185 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.782 1.260 16.149 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.892 1.512 14.660 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.569 2.849 15.323 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.397 1.426 14.314 1.00 0.00 H new ATOM 589 N LYS A 36 0.494 2.283 17.648 1.00 0.00 N ATOM 590 CA LYS A 36 -0.801 1.920 18.194 1.00 0.00 C ATOM 591 C LYS A 36 -1.357 2.974 19.153 1.00 0.00 C ATOM 592 O LYS A 36 -2.551 2.940 19.486 1.00 0.00 O ATOM 593 CB LYS A 36 -0.743 0.560 18.903 1.00 0.00 C ATOM 594 CG LYS A 36 -2.147 -0.071 18.914 1.00 0.00 C ATOM 595 CD LYS A 36 -2.390 -0.795 20.243 1.00 0.00 C ATOM 596 CE LYS A 36 -2.670 0.225 21.364 1.00 0.00 C ATOM 597 NZ LYS A 36 -3.593 1.285 20.880 1.00 0.00 N ATOM 0 H LYS A 36 1.298 2.029 18.222 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.478 1.857 17.342 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.040 -0.099 18.393 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.380 0.685 19.923 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.902 0.701 18.769 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.245 -0.773 18.086 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.234 -1.478 20.144 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.520 -1.399 20.500 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.107 -0.281 22.225 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.735 0.673 21.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.050 1.745 21.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.056 1.992 20.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.320 0.860 20.269 1.00 0.00 H new ATOM 611 N ASN A 37 -0.498 3.837 19.681 1.00 0.00 N ATOM 612 CA ASN A 37 -0.941 4.799 20.704 1.00 0.00 C ATOM 613 C ASN A 37 -1.922 5.827 20.166 1.00 0.00 C ATOM 614 O ASN A 37 -2.924 6.135 20.816 1.00 0.00 O ATOM 615 CB ASN A 37 0.254 5.506 21.370 1.00 0.00 C ATOM 616 CG ASN A 37 -0.231 6.590 22.341 1.00 0.00 C ATOM 617 OD1 ASN A 37 0.445 7.611 22.521 1.00 0.00 O ATOM 618 ND2 ASN A 37 -1.353 6.439 22.976 1.00 0.00 N ATOM 0 H ASN A 37 0.489 3.898 19.431 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.467 4.211 21.456 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.862 4.777 21.905 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.890 5.953 20.606 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.675 7.161 23.621 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.913 5.599 22.830 1.00 0.00 H new ATOM 625 N LYS A 38 -1.593 6.422 19.030 1.00 0.00 N ATOM 626 CA LYS A 38 -2.412 7.513 18.486 1.00 0.00 C ATOM 627 C LYS A 38 -2.946 7.217 17.097 1.00 0.00 C ATOM 628 O LYS A 38 -3.830 7.917 16.617 1.00 0.00 O ATOM 629 CB LYS A 38 -1.624 8.838 18.456 1.00 0.00 C ATOM 630 CG LYS A 38 -0.101 8.591 18.364 1.00 0.00 C ATOM 631 CD LYS A 38 0.301 8.268 16.912 1.00 0.00 C ATOM 632 CE LYS A 38 1.625 8.951 16.576 1.00 0.00 C ATOM 633 NZ LYS A 38 1.368 10.380 16.252 1.00 0.00 N ATOM 0 H LYS A 38 -0.778 6.178 18.468 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.265 7.607 19.158 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.948 9.436 17.604 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.846 9.415 19.354 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.439 9.472 18.711 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.181 7.766 19.019 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.395 7.190 16.783 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.477 8.605 16.226 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.312 8.874 17.419 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.101 8.454 15.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.266 10.851 16.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.726 10.441 15.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.931 10.849 17.071 1.00 0.00 H new ATOM 647 N TYR A 39 -2.261 6.351 16.387 1.00 0.00 N ATOM 648 CA TYR A 39 -2.499 6.159 14.965 1.00 0.00 C ATOM 649 C TYR A 39 -2.966 4.751 14.633 1.00 0.00 C ATOM 650 O TYR A 39 -2.855 3.828 15.451 1.00 0.00 O ATOM 651 CB TYR A 39 -1.183 6.428 14.213 1.00 0.00 C ATOM 652 CG TYR A 39 -1.383 7.424 13.094 1.00 0.00 C ATOM 653 CD1 TYR A 39 -1.448 8.795 13.372 1.00 0.00 C ATOM 654 CD2 TYR A 39 -1.490 6.972 11.772 1.00 0.00 C ATOM 655 CE1 TYR A 39 -1.607 9.710 12.332 1.00 0.00 C ATOM 656 CE2 TYR A 39 -1.652 7.887 10.734 1.00 0.00 C ATOM 657 CZ TYR A 39 -1.718 9.256 11.012 1.00 0.00 C ATOM 658 OH TYR A 39 -1.878 10.163 9.983 1.00 0.00 O ATOM 0 H TYR A 39 -1.525 5.759 16.772 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.289 6.847 14.664 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.435 6.806 14.909 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.797 5.493 13.806 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.375 9.143 14.392 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.447 5.914 11.558 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.645 10.768 12.544 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.727 7.539 9.714 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.938 9.683 9.130 1.00 0.00 H new ATOM 668 N ASN A 40 -3.231 4.570 13.351 1.00 0.00 N ATOM 669 CA ASN A 40 -3.326 3.252 12.725 1.00 0.00 C ATOM 670 C ASN A 40 -1.889 2.961 12.299 1.00 0.00 C ATOM 671 O ASN A 40 -1.026 3.804 12.543 1.00 0.00 O ATOM 672 CB ASN A 40 -4.240 3.329 11.481 1.00 0.00 C ATOM 673 CG ASN A 40 -5.020 2.029 11.258 1.00 0.00 C ATOM 674 OD1 ASN A 40 -5.045 1.151 12.123 1.00 0.00 O ATOM 675 ND2 ASN A 40 -5.664 1.854 10.139 1.00 0.00 N ATOM 0 H ASN A 40 -3.389 5.341 12.702 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.742 2.489 13.383 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -4.940 4.156 11.597 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.635 3.544 10.600 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.187 0.993 9.981 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.645 2.578 9.421 1.00 0.00 H new ATOM 682 N PRO A 41 -1.580 1.886 11.619 1.00 0.00 N ATOM 683 CA PRO A 41 -0.149 1.754 11.186 1.00 0.00 C ATOM 684 C PRO A 41 0.246 3.005 10.401 1.00 0.00 C ATOM 685 O PRO A 41 -0.538 3.501 9.577 1.00 0.00 O ATOM 686 CB PRO A 41 -0.159 0.522 10.280 1.00 0.00 C ATOM 687 CG PRO A 41 -1.299 -0.303 10.780 1.00 0.00 C ATOM 688 CD PRO A 41 -2.365 0.693 11.236 1.00 0.00 C ATOM 0 HA PRO A 41 0.558 1.653 12.010 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.298 0.799 9.235 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.783 -0.024 10.342 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.683 -0.955 9.996 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.986 -0.945 11.603 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.073 0.917 10.438 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.943 0.306 12.075 1.00 0.00 H new ATOM 696 N SER A 42 1.386 3.587 10.745 1.00 0.00 N ATOM 697 CA SER A 42 1.770 4.862 10.167 1.00 0.00 C ATOM 698 C SER A 42 1.936 4.743 8.671 1.00 0.00 C ATOM 699 O SER A 42 2.558 3.797 8.180 1.00 0.00 O ATOM 700 CB SER A 42 3.058 5.375 10.801 1.00 0.00 C ATOM 701 OG SER A 42 2.788 5.860 12.118 1.00 0.00 O ATOM 0 H SER A 42 2.053 3.201 11.413 1.00 0.00 H new ATOM 0 HA SER A 42 0.974 5.578 10.371 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.798 4.575 10.842 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.483 6.171 10.190 1.00 0.00 H new ATOM 0 HG SER A 42 3.518 5.600 12.718 1.00 0.00 H new ATOM 707 N LEU A 43 1.398 5.710 7.951 1.00 0.00 N ATOM 708 CA LEU A 43 1.444 5.688 6.502 1.00 0.00 C ATOM 709 C LEU A 43 2.884 5.728 6.031 1.00 0.00 C ATOM 710 O LEU A 43 3.285 4.979 5.145 1.00 0.00 O ATOM 711 CB LEU A 43 0.691 6.903 5.938 1.00 0.00 C ATOM 712 CG LEU A 43 -0.839 6.660 5.971 1.00 0.00 C ATOM 713 CD1 LEU A 43 -1.249 5.700 4.862 1.00 0.00 C ATOM 714 CD2 LEU A 43 -1.261 6.085 7.323 1.00 0.00 C ATOM 0 H LEU A 43 0.924 6.521 8.347 1.00 0.00 H new ATOM 0 HA LEU A 43 0.972 4.771 6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.936 7.792 6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.012 7.094 4.914 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.337 7.617 5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.327 5.540 4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.978 6.124 3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.736 4.748 4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.339 5.921 7.328 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.749 5.138 7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.997 6.786 8.115 1.00 0.00 H new ATOM 726 N GLN A 44 3.662 6.586 6.658 1.00 0.00 N ATOM 727 CA GLN A 44 5.068 6.754 6.320 1.00 0.00 C ATOM 728 C GLN A 44 5.847 5.493 6.638 1.00 0.00 C ATOM 729 O GLN A 44 6.566 4.957 5.788 1.00 0.00 O ATOM 730 CB GLN A 44 5.640 7.922 7.118 1.00 0.00 C ATOM 731 CG GLN A 44 4.609 9.053 7.172 1.00 0.00 C ATOM 732 CD GLN A 44 3.811 8.961 8.466 1.00 0.00 C ATOM 733 OE1 GLN A 44 3.015 8.033 8.631 1.00 0.00 O ATOM 734 NE2 GLN A 44 3.976 9.852 9.396 1.00 0.00 N ATOM 0 H GLN A 44 3.342 7.188 7.416 1.00 0.00 H new ATOM 0 HA GLN A 44 5.153 6.955 5.252 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.894 7.598 8.127 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.561 8.276 6.656 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.111 10.019 7.111 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.939 8.988 6.315 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.635 10.618 9.257 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.447 9.786 10.265 1.00 0.00 H new ATOM 743 N LEU A 45 5.679 5.002 7.851 1.00 0.00 N ATOM 744 CA LEU A 45 6.345 3.779 8.275 1.00 0.00 C ATOM 745 C LEU A 45 5.866 2.634 7.404 1.00 0.00 C ATOM 746 O LEU A 45 6.650 1.782 6.969 1.00 0.00 O ATOM 747 CB LEU A 45 6.036 3.488 9.760 1.00 0.00 C ATOM 748 CG LEU A 45 7.101 2.560 10.382 1.00 0.00 C ATOM 749 CD1 LEU A 45 7.023 1.155 9.780 1.00 0.00 C ATOM 750 CD2 LEU A 45 8.507 3.145 10.181 1.00 0.00 C ATOM 0 H LEU A 45 5.087 5.430 8.563 1.00 0.00 H new ATOM 0 HA LEU A 45 7.424 3.894 8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.997 4.425 10.316 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.053 3.025 9.845 1.00 0.00 H new ATOM 0 HG LEU A 45 6.900 2.486 11.451 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.784 0.521 10.235 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.037 0.732 9.970 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.193 1.210 8.705 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.246 2.478 10.626 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.708 3.250 9.115 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.566 4.122 10.660 1.00 0.00 H new ATOM 762 N ALA A 46 4.569 2.633 7.136 1.00 0.00 N ATOM 763 CA ALA A 46 3.959 1.596 6.337 1.00 0.00 C ATOM 764 C ALA A 46 4.613 1.490 4.975 1.00 0.00 C ATOM 765 O ALA A 46 4.596 0.435 4.379 1.00 0.00 O ATOM 766 CB ALA A 46 2.459 1.849 6.168 1.00 0.00 C ATOM 0 H ALA A 46 3.919 3.347 7.466 1.00 0.00 H new ATOM 0 HA ALA A 46 4.105 0.654 6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.022 1.055 5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.980 1.864 7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.305 2.808 5.674 1.00 0.00 H new ATOM 772 N LEU A 47 5.187 2.577 4.480 1.00 0.00 N ATOM 773 CA LEU A 47 5.759 2.561 3.127 1.00 0.00 C ATOM 774 C LEU A 47 6.856 1.524 3.002 1.00 0.00 C ATOM 775 O LEU A 47 6.896 0.776 2.024 1.00 0.00 O ATOM 776 CB LEU A 47 6.326 3.941 2.740 1.00 0.00 C ATOM 777 CG LEU A 47 5.188 4.950 2.542 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.772 6.353 2.379 1.00 0.00 C ATOM 779 CD2 LEU A 47 4.388 4.590 1.283 1.00 0.00 C ATOM 0 H LEU A 47 5.272 3.465 4.975 1.00 0.00 H new ATOM 0 HA LEU A 47 4.946 2.305 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.003 4.294 3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.910 3.857 1.823 1.00 0.00 H new ATOM 0 HG LEU A 47 4.531 4.922 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.963 7.070 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.339 6.617 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.431 6.374 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.581 5.310 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.046 4.614 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.968 3.590 1.392 1.00 0.00 H new ATOM 791 N LYS A 48 7.711 1.433 3.998 1.00 0.00 N ATOM 792 CA LYS A 48 8.793 0.465 3.948 1.00 0.00 C ATOM 793 C LYS A 48 8.265 -0.956 3.906 1.00 0.00 C ATOM 794 O LYS A 48 8.717 -1.768 3.102 1.00 0.00 O ATOM 795 CB LYS A 48 9.743 0.660 5.122 1.00 0.00 C ATOM 796 CG LYS A 48 10.503 1.979 4.933 1.00 0.00 C ATOM 797 CD LYS A 48 11.429 2.223 6.122 1.00 0.00 C ATOM 798 CE LYS A 48 12.176 3.545 5.909 1.00 0.00 C ATOM 799 NZ LYS A 48 13.233 3.348 4.891 1.00 0.00 N ATOM 0 H LYS A 48 7.683 2.006 4.841 1.00 0.00 H new ATOM 0 HA LYS A 48 9.349 0.634 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.186 0.677 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.443 -0.173 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.083 1.945 4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.797 2.804 4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.853 2.261 7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.138 1.401 6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.482 4.321 5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.616 3.883 6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.889 4.155 4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.755 2.472 5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.799 3.278 3.949 1.00 0.00 H new ATOM 813 N ILE A 49 7.249 -1.237 4.705 1.00 0.00 N ATOM 814 CA ILE A 49 6.639 -2.554 4.657 1.00 0.00 C ATOM 815 C ILE A 49 5.626 -2.639 3.518 1.00 0.00 C ATOM 816 O ILE A 49 5.297 -3.735 3.041 1.00 0.00 O ATOM 817 CB ILE A 49 5.979 -2.924 5.999 1.00 0.00 C ATOM 818 CG1 ILE A 49 4.874 -1.919 6.344 1.00 0.00 C ATOM 819 CG2 ILE A 49 7.035 -2.906 7.117 1.00 0.00 C ATOM 820 CD1 ILE A 49 4.037 -2.470 7.500 1.00 0.00 C ATOM 0 H ILE A 49 6.838 -0.590 5.378 1.00 0.00 H new ATOM 0 HA ILE A 49 7.433 -3.277 4.470 1.00 0.00 H new ATOM 0 HB ILE A 49 5.546 -3.920 5.910 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.312 -0.960 6.621 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.242 -1.742 5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.566 -3.168 8.065 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.819 -3.628 6.889 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.470 -1.909 7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.249 -1.759 7.750 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.589 -3.419 7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.675 -2.625 8.370 1.00 0.00 H new ATOM 832 N ALA A 50 5.062 -1.493 3.153 1.00 0.00 N ATOM 833 CA ALA A 50 4.052 -1.413 2.094 1.00 0.00 C ATOM 834 C ALA A 50 4.683 -1.490 0.728 1.00 0.00 C ATOM 835 O ALA A 50 4.115 -2.061 -0.183 1.00 0.00 O ATOM 836 CB ALA A 50 3.208 -0.148 2.195 1.00 0.00 C ATOM 0 H ALA A 50 5.288 -0.594 3.579 1.00 0.00 H new ATOM 0 HA ALA A 50 3.395 -2.272 2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.474 -0.135 1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.692 -0.130 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.853 0.727 2.113 1.00 0.00 H new ATOM 842 N TYR A 51 5.864 -0.912 0.584 1.00 0.00 N ATOM 843 CA TYR A 51 6.544 -0.933 -0.701 1.00 0.00 C ATOM 844 C TYR A 51 6.623 -2.370 -1.163 1.00 0.00 C ATOM 845 O TYR A 51 6.350 -2.687 -2.318 1.00 0.00 O ATOM 846 CB TYR A 51 7.956 -0.338 -0.592 1.00 0.00 C ATOM 847 CG TYR A 51 8.551 -0.230 -1.973 1.00 0.00 C ATOM 848 CD1 TYR A 51 9.281 -1.296 -2.514 1.00 0.00 C ATOM 849 CD2 TYR A 51 8.365 0.937 -2.720 1.00 0.00 C ATOM 850 CE1 TYR A 51 9.818 -1.188 -3.802 1.00 0.00 C ATOM 851 CE2 TYR A 51 8.903 1.039 -4.007 1.00 0.00 C ATOM 852 CZ TYR A 51 9.629 -0.023 -4.545 1.00 0.00 C ATOM 853 OH TYR A 51 10.158 0.083 -5.809 1.00 0.00 O ATOM 0 H TYR A 51 6.366 -0.429 1.329 1.00 0.00 H new ATOM 0 HA TYR A 51 5.988 -0.327 -1.417 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.915 0.644 -0.122 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.582 -0.968 0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.429 -2.198 -1.939 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.805 1.761 -2.303 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.380 -2.009 -4.222 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.756 1.940 -4.584 1.00 0.00 H new ATOM 0 HH TYR A 51 9.932 0.959 -6.186 1.00 0.00 H new ATOM 863 N TYR A 52 6.893 -3.243 -0.209 1.00 0.00 N ATOM 864 CA TYR A 52 6.887 -4.680 -0.432 1.00 0.00 C ATOM 865 C TYR A 52 5.489 -5.114 -0.905 1.00 0.00 C ATOM 866 O TYR A 52 5.350 -5.971 -1.774 1.00 0.00 O ATOM 867 CB TYR A 52 7.243 -5.407 0.876 1.00 0.00 C ATOM 868 CG TYR A 52 7.357 -6.895 0.624 1.00 0.00 C ATOM 869 CD1 TYR A 52 6.213 -7.695 0.584 1.00 0.00 C ATOM 870 CD2 TYR A 52 8.614 -7.472 0.436 1.00 0.00 C ATOM 871 CE1 TYR A 52 6.327 -9.068 0.357 1.00 0.00 C ATOM 872 CE2 TYR A 52 8.731 -8.844 0.208 1.00 0.00 C ATOM 873 CZ TYR A 52 7.585 -9.642 0.168 1.00 0.00 C ATOM 874 OH TYR A 52 7.694 -11.001 -0.055 1.00 0.00 O ATOM 0 H TYR A 52 7.124 -2.975 0.748 1.00 0.00 H new ATOM 0 HA TYR A 52 7.624 -4.935 -1.194 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.184 -5.023 1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.479 -5.214 1.629 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.239 -7.251 0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 52 9.499 -6.854 0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.442 -9.686 0.328 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.705 -9.288 0.063 1.00 0.00 H new ATOM 0 HH TYR A 52 8.638 -11.239 -0.168 1.00 0.00 H new ATOM 884 N LEU A 53 4.460 -4.544 -0.284 1.00 0.00 N ATOM 885 CA LEU A 53 3.068 -4.866 -0.611 1.00 0.00 C ATOM 886 C LEU A 53 2.691 -4.269 -1.966 1.00 0.00 C ATOM 887 O LEU A 53 3.169 -3.209 -2.335 1.00 0.00 O ATOM 888 CB LEU A 53 2.104 -4.307 0.456 1.00 0.00 C ATOM 889 CG LEU A 53 2.486 -4.805 1.865 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.534 -4.200 2.901 1.00 0.00 C ATOM 891 CD2 LEU A 53 2.394 -6.331 1.943 1.00 0.00 C ATOM 0 H LEU A 53 4.563 -3.850 0.456 1.00 0.00 H new ATOM 0 HA LEU A 53 2.981 -5.952 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.125 -3.217 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.083 -4.611 0.224 1.00 0.00 H new ATOM 0 HG LEU A 53 3.511 -4.497 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.806 -4.554 3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.606 -3.113 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.511 -4.502 2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.668 -6.661 2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.374 -6.646 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.075 -6.774 1.216 1.00 0.00 H new ATOM 903 N ASN A 54 1.748 -4.897 -2.649 1.00 0.00 N ATOM 904 CA ASN A 54 1.237 -4.363 -3.918 1.00 0.00 C ATOM 905 C ASN A 54 -0.049 -3.601 -3.672 1.00 0.00 C ATOM 906 O ASN A 54 -0.913 -3.514 -4.544 1.00 0.00 O ATOM 907 CB ASN A 54 0.995 -5.485 -4.939 1.00 0.00 C ATOM 908 CG ASN A 54 0.064 -6.553 -4.374 1.00 0.00 C ATOM 909 OD1 ASN A 54 0.363 -7.749 -4.473 1.00 0.00 O ATOM 910 ND2 ASN A 54 -1.040 -6.211 -3.783 1.00 0.00 N ATOM 0 H ASN A 54 1.317 -5.774 -2.355 1.00 0.00 H new ATOM 0 HA ASN A 54 1.988 -3.689 -4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.563 -5.066 -5.848 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.946 -5.938 -5.218 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.658 -6.928 -3.402 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.290 -5.226 -3.700 1.00 0.00 H new ATOM 917 N THR A 55 -0.247 -3.230 -2.433 1.00 0.00 N ATOM 918 CA THR A 55 -1.481 -2.633 -1.992 1.00 0.00 C ATOM 919 C THR A 55 -1.256 -1.164 -1.613 1.00 0.00 C ATOM 920 O THR A 55 -0.552 -0.867 -0.650 1.00 0.00 O ATOM 921 CB THR A 55 -1.962 -3.439 -0.780 1.00 0.00 C ATOM 922 OG1 THR A 55 -1.103 -4.585 -0.622 1.00 0.00 O ATOM 923 CG2 THR A 55 -3.397 -3.914 -1.001 1.00 0.00 C ATOM 0 H THR A 55 0.450 -3.335 -1.696 1.00 0.00 H new ATOM 0 HA THR A 55 -2.229 -2.652 -2.785 1.00 0.00 H new ATOM 0 HB THR A 55 -1.930 -2.812 0.111 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.542 -5.377 -0.997 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.729 -4.485 -0.134 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.049 -3.051 -1.138 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.439 -4.545 -1.889 1.00 0.00 H new ATOM 931 N PRO A 56 -1.808 -0.244 -2.370 1.00 0.00 N ATOM 932 CA PRO A 56 -1.622 1.221 -2.085 1.00 0.00 C ATOM 933 C PRO A 56 -2.182 1.606 -0.716 1.00 0.00 C ATOM 934 O PRO A 56 -3.293 1.218 -0.357 1.00 0.00 O ATOM 935 CB PRO A 56 -2.416 1.901 -3.203 1.00 0.00 C ATOM 936 CG PRO A 56 -2.469 0.891 -4.302 1.00 0.00 C ATOM 937 CD PRO A 56 -2.583 -0.456 -3.607 1.00 0.00 C ATOM 0 HA PRO A 56 -0.571 1.510 -2.060 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.417 2.174 -2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.929 2.819 -3.532 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.322 1.068 -4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.574 0.938 -4.923 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.620 -0.717 -3.396 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.168 -1.262 -4.213 1.00 0.00 H new ATOM 945 N LEU A 57 -1.458 2.439 0.002 1.00 0.00 N ATOM 946 CA LEU A 57 -1.886 2.866 1.331 1.00 0.00 C ATOM 947 C LEU A 57 -3.204 3.618 1.260 1.00 0.00 C ATOM 948 O LEU A 57 -4.110 3.401 2.069 1.00 0.00 O ATOM 949 CB LEU A 57 -0.816 3.764 1.966 1.00 0.00 C ATOM 950 CG LEU A 57 0.310 2.901 2.557 1.00 0.00 C ATOM 951 CD1 LEU A 57 0.989 2.095 1.453 1.00 0.00 C ATOM 952 CD2 LEU A 57 1.344 3.800 3.237 1.00 0.00 C ATOM 0 H LEU A 57 -0.571 2.837 -0.306 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.025 1.976 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.410 4.444 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.262 4.379 2.747 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.118 2.216 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.785 1.487 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.256 1.446 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.411 2.775 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.141 3.186 3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.764 4.490 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.865 4.366 4.036 1.00 0.00 H new ATOM 964 N GLU A 58 -3.319 4.480 0.277 1.00 0.00 N ATOM 965 CA GLU A 58 -4.521 5.266 0.107 1.00 0.00 C ATOM 966 C GLU A 58 -5.703 4.351 -0.170 1.00 0.00 C ATOM 967 O GLU A 58 -6.782 4.513 0.413 1.00 0.00 O ATOM 968 CB GLU A 58 -4.318 6.264 -1.031 1.00 0.00 C ATOM 969 CG GLU A 58 -3.290 7.326 -0.592 1.00 0.00 C ATOM 970 CD GLU A 58 -2.916 8.240 -1.750 1.00 0.00 C ATOM 971 OE1 GLU A 58 -3.282 7.941 -2.868 1.00 0.00 O ATOM 972 OE2 GLU A 58 -2.270 9.229 -1.505 1.00 0.00 O ATOM 0 H GLU A 58 -2.594 4.656 -0.419 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.732 5.821 1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.968 5.749 -1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.265 6.740 -1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.702 7.919 0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.396 6.834 -0.210 1.00 0.00 H new ATOM 979 N ASP A 59 -5.474 3.336 -0.994 1.00 0.00 N ATOM 980 CA ASP A 59 -6.496 2.332 -1.255 1.00 0.00 C ATOM 981 C ASP A 59 -6.795 1.555 0.023 1.00 0.00 C ATOM 982 O ASP A 59 -7.952 1.287 0.347 1.00 0.00 O ATOM 983 CB ASP A 59 -6.060 1.375 -2.372 1.00 0.00 C ATOM 984 CG ASP A 59 -7.249 0.555 -2.837 1.00 0.00 C ATOM 985 OD1 ASP A 59 -8.204 1.142 -3.308 1.00 0.00 O ATOM 986 OD2 ASP A 59 -7.202 -0.649 -2.718 1.00 0.00 O ATOM 0 H ASP A 59 -4.595 3.187 -1.490 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.401 2.841 -1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.647 1.940 -3.207 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.270 0.716 -2.012 1.00 0.00 H new ATOM 991 N ILE A 60 -5.737 1.253 0.776 1.00 0.00 N ATOM 992 CA ILE A 60 -5.848 0.550 2.056 1.00 0.00 C ATOM 993 C ILE A 60 -6.652 1.366 3.069 1.00 0.00 C ATOM 994 O ILE A 60 -7.453 0.812 3.824 1.00 0.00 O ATOM 995 CB ILE A 60 -4.444 0.213 2.614 1.00 0.00 C ATOM 996 CG1 ILE A 60 -3.751 -0.844 1.731 1.00 0.00 C ATOM 997 CG2 ILE A 60 -4.546 -0.317 4.051 1.00 0.00 C ATOM 998 CD1 ILE A 60 -4.521 -2.162 1.788 1.00 0.00 C ATOM 0 H ILE A 60 -4.779 1.488 0.517 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.384 -0.383 1.881 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.854 1.129 2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.696 -0.490 0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.727 -0.997 2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.549 -0.548 4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.006 0.440 4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.156 -1.220 4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.023 -2.902 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.553 -2.521 2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.537 -2.005 1.427 1.00 0.00 H new ATOM 1010 N PHE A 61 -6.378 2.663 3.133 1.00 0.00 N ATOM 1011 CA PHE A 61 -7.024 3.545 4.116 1.00 0.00 C ATOM 1012 C PHE A 61 -8.434 3.975 3.706 1.00 0.00 C ATOM 1013 O PHE A 61 -9.120 4.654 4.469 1.00 0.00 O ATOM 1014 CB PHE A 61 -6.149 4.768 4.436 1.00 0.00 C ATOM 1015 CG PHE A 61 -5.159 4.414 5.526 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -3.980 3.739 5.211 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -5.436 4.745 6.852 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -3.067 3.408 6.219 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -4.528 4.414 7.862 1.00 0.00 C ATOM 1020 CZ PHE A 61 -3.345 3.741 7.550 1.00 0.00 C ATOM 0 H PHE A 61 -5.714 3.134 2.519 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.132 2.951 5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.619 5.092 3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.774 5.601 4.756 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.771 3.471 4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.354 5.258 7.099 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.149 2.896 5.970 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.742 4.680 8.887 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.648 3.479 8.332 1.00 0.00 H new