USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=16 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 38 LYS NZ :NH3+ -171:sc= -0.578! (180deg=-1.85!) USER MOD Set 1.2: A 39 TYR OH : rot 180:sc= -0.487! USER MOD Set 2.1: A 32 ASN : amide:sc= 0.848 K(o=-3,f=-21!) USER MOD Set 2.2: A 36 LYS NZ :NH3+ -147:sc= -3.86! (180deg=-8.74!) USER MOD Set 3.1: A 13 LYS NZ :NH3+ -131:sc= -2.53! (180deg=-2.42!) USER MOD Set 3.2: A 54 ASN : amide:sc= -4.79! C(o=-7.3!,f=-22!) USER MOD Set 4.1: A 7 LYS NZ :NH3+ -170:sc= -0.0101! (180deg=-0.231) USER MOD Set 4.2: A 40 ASN : amide:sc= -4.68! C(o=-4.7!,f=-23!) USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc=-0.00378 (180deg=-0.0395) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -0.0648 (180deg=-0.487) USER MOD Single : A 16 SER OG : rot 104:sc= 0.0631 USER MOD Single : A 17 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.19) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.755 K(o=-0.75,f=-14!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 42 SER OG : rot 11:sc= 0.00565 USER MOD Single : A 44 GLN : amide:sc= 0.0418! C(o=0.042!,f=-9.8!) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.484) 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 53:sc= -0.897! USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -6.114 -2.955 8.102 1.00 0.00 N ATOM 71 CA ASN A 5 -6.154 -4.138 7.251 1.00 0.00 C ATOM 72 C ASN A 5 -4.800 -4.398 6.610 1.00 0.00 C ATOM 73 O ASN A 5 -4.625 -5.371 5.889 1.00 0.00 O ATOM 74 CB ASN A 5 -7.210 -3.962 6.159 1.00 0.00 C ATOM 75 CG ASN A 5 -8.518 -3.486 6.778 1.00 0.00 C ATOM 76 OD1 ASN A 5 -8.934 -3.999 7.821 1.00 0.00 O ATOM 77 ND2 ASN A 5 -9.193 -2.532 6.208 1.00 0.00 N ATOM 0 HA ASN A 5 -6.411 -4.993 7.876 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.864 -3.241 5.418 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.367 -4.906 5.636 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.067 -2.207 6.623 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.849 -2.108 5.346 1.00 0.00 H new ATOM 84 N LEU A 6 -3.816 -3.598 6.964 1.00 0.00 N ATOM 85 CA LEU A 6 -2.473 -3.788 6.456 1.00 0.00 C ATOM 86 C LEU A 6 -1.925 -5.118 6.900 1.00 0.00 C ATOM 87 O LEU A 6 -1.378 -5.873 6.102 1.00 0.00 O ATOM 88 CB LEU A 6 -1.579 -2.646 6.899 1.00 0.00 C ATOM 89 CG LEU A 6 -2.006 -1.381 6.152 1.00 0.00 C ATOM 90 CD1 LEU A 6 -1.314 -0.161 6.744 1.00 0.00 C ATOM 91 CD2 LEU A 6 -1.618 -1.518 4.679 1.00 0.00 C ATOM 0 H LEU A 6 -3.921 -2.809 7.602 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.504 -3.789 5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.660 -2.496 7.976 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.535 -2.877 6.687 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.085 -1.255 6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.626 0.733 6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.586 -0.063 7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.234 -0.278 6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.919 -0.620 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.539 -1.646 4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.120 -2.385 4.250 1.00 0.00 H new ATOM 103 N LYS A 7 -2.199 -5.458 8.140 1.00 0.00 N ATOM 104 CA LYS A 7 -1.856 -6.771 8.643 1.00 0.00 C ATOM 105 C LYS A 7 -2.516 -7.807 7.750 1.00 0.00 C ATOM 106 O LYS A 7 -1.891 -8.779 7.321 1.00 0.00 O ATOM 107 CB LYS A 7 -2.368 -6.941 10.091 1.00 0.00 C ATOM 108 CG LYS A 7 -3.666 -6.123 10.298 1.00 0.00 C ATOM 109 CD LYS A 7 -4.301 -6.478 11.647 1.00 0.00 C ATOM 110 CE LYS A 7 -5.635 -5.729 11.806 1.00 0.00 C ATOM 111 NZ LYS A 7 -5.389 -4.264 11.889 1.00 0.00 N ATOM 0 H LYS A 7 -2.656 -4.847 8.817 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.773 -6.895 8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.557 -7.995 10.296 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.605 -6.611 10.796 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.443 -5.057 10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.368 -6.330 9.491 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.467 -7.553 11.710 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.625 -6.212 12.459 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.288 -5.949 10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.149 -6.071 12.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.267 -3.780 12.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.652 -4.075 12.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.075 -3.912 10.962 1.00 0.00 H new ATOM 125 N LEU A 8 -3.781 -7.555 7.435 1.00 0.00 N ATOM 126 CA LEU A 8 -4.539 -8.433 6.568 1.00 0.00 C ATOM 127 C LEU A 8 -3.942 -8.432 5.167 1.00 0.00 C ATOM 128 O LEU A 8 -3.803 -9.483 4.536 1.00 0.00 O ATOM 129 CB LEU A 8 -6.004 -7.985 6.512 1.00 0.00 C ATOM 130 CG LEU A 8 -6.617 -8.043 7.919 1.00 0.00 C ATOM 131 CD1 LEU A 8 -8.073 -7.578 7.883 1.00 0.00 C ATOM 132 CD2 LEU A 8 -6.527 -9.457 8.499 1.00 0.00 C ATOM 0 H LEU A 8 -4.301 -6.744 7.772 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.494 -9.445 6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.069 -6.971 6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.565 -8.628 5.834 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.048 -7.374 8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.495 -7.624 8.887 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.118 -6.552 7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.645 -8.226 7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.968 -9.470 9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.067 -10.150 7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.482 -9.759 8.561 1.00 0.00 H new ATOM 144 N ILE A 9 -3.559 -7.250 4.690 1.00 0.00 N ATOM 145 CA ILE A 9 -2.945 -7.136 3.375 1.00 0.00 C ATOM 146 C ILE A 9 -1.636 -7.897 3.390 1.00 0.00 C ATOM 147 O ILE A 9 -1.365 -8.711 2.514 1.00 0.00 O ATOM 148 CB ILE A 9 -2.659 -5.653 3.035 1.00 0.00 C ATOM 149 CG1 ILE A 9 -3.970 -4.865 2.887 1.00 0.00 C ATOM 150 CG2 ILE A 9 -1.868 -5.556 1.726 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.853 -5.494 1.808 1.00 0.00 C ATOM 0 H ILE A 9 -3.663 -6.367 5.191 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.623 -7.544 2.625 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.076 -5.226 3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.502 -4.851 3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.751 -3.829 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.672 -4.509 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.922 -6.087 1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.446 -6.003 0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.777 -4.924 1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.325 -5.485 0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.087 -6.522 2.083 1.00 0.00 H new ATOM 163 N ARG A 10 -0.879 -7.701 4.447 1.00 0.00 N ATOM 164 CA ARG A 10 0.378 -8.392 4.619 1.00 0.00 C ATOM 165 C ARG A 10 0.129 -9.890 4.610 1.00 0.00 C ATOM 166 O ARG A 10 0.846 -10.650 3.951 1.00 0.00 O ATOM 167 CB ARG A 10 1.011 -7.973 5.952 1.00 0.00 C ATOM 168 CG ARG A 10 2.479 -8.427 6.026 1.00 0.00 C ATOM 169 CD ARG A 10 2.564 -9.835 6.623 1.00 0.00 C ATOM 170 NE ARG A 10 1.632 -9.973 7.738 1.00 0.00 N ATOM 171 CZ ARG A 10 0.970 -11.108 7.966 1.00 0.00 C ATOM 172 NH1 ARG A 10 1.213 -12.153 7.224 1.00 0.00 N ATOM 173 NH2 ARG A 10 0.102 -11.174 8.929 1.00 0.00 N ATOM 0 H ARG A 10 -1.116 -7.062 5.206 1.00 0.00 H new ATOM 0 HA ARG A 10 1.057 -8.135 3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.955 -6.890 6.062 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.449 -8.407 6.779 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.921 -8.418 5.030 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.053 -7.730 6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.336 -10.576 5.857 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.580 -10.031 6.964 1.00 0.00 H new ATOM 0 HE ARG A 10 1.483 -9.179 8.360 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.905 -12.098 6.476 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.711 -13.025 7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.075 -10.357 9.513 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.403 -12.043 9.102 1.00 0.00 H new ATOM 187 N GLU A 11 -0.906 -10.310 5.328 1.00 0.00 N ATOM 188 CA GLU A 11 -1.253 -11.717 5.396 1.00 0.00 C ATOM 189 C GLU A 11 -1.642 -12.224 4.009 1.00 0.00 C ATOM 190 O GLU A 11 -1.148 -13.256 3.555 1.00 0.00 O ATOM 191 CB GLU A 11 -2.424 -11.926 6.382 1.00 0.00 C ATOM 192 CG GLU A 11 -2.441 -13.371 6.906 1.00 0.00 C ATOM 193 CD GLU A 11 -1.253 -13.598 7.815 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.324 -13.209 8.962 1.00 0.00 O ATOM 195 OE2 GLU A 11 -0.276 -14.138 7.356 1.00 0.00 O ATOM 0 H GLU A 11 -1.515 -9.696 5.868 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.389 -12.279 5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.331 -11.232 7.217 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.368 -11.703 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.367 -13.561 7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.411 -14.071 6.071 1.00 0.00 H new ATOM 202 N LYS A 12 -2.492 -11.461 3.316 1.00 0.00 N ATOM 203 CA LYS A 12 -2.911 -11.828 1.966 1.00 0.00 C ATOM 204 C LYS A 12 -1.737 -11.798 1.005 1.00 0.00 C ATOM 205 O LYS A 12 -1.620 -12.644 0.119 1.00 0.00 O ATOM 206 CB LYS A 12 -4.016 -10.896 1.457 1.00 0.00 C ATOM 207 CG LYS A 12 -5.303 -11.129 2.266 1.00 0.00 C ATOM 208 CD LYS A 12 -6.426 -10.241 1.715 1.00 0.00 C ATOM 209 CE LYS A 12 -6.153 -8.769 2.057 1.00 0.00 C ATOM 210 NZ LYS A 12 -7.328 -7.944 1.686 1.00 0.00 N ATOM 0 H LYS A 12 -2.899 -10.594 3.666 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.303 -12.844 2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.700 -9.857 1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.202 -11.080 0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.595 -12.178 2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.129 -10.902 3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.500 -10.363 0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.383 -10.549 2.136 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.945 -8.665 3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.268 -8.420 1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.213 -6.984 2.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.406 -7.896 0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.191 -8.372 2.078 1.00 0.00 H new ATOM 224 N LYS A 13 -0.886 -10.796 1.151 1.00 0.00 N ATOM 225 CA LYS A 13 0.255 -10.632 0.257 1.00 0.00 C ATOM 226 C LYS A 13 1.289 -11.715 0.520 1.00 0.00 C ATOM 227 O LYS A 13 2.141 -11.980 -0.329 1.00 0.00 O ATOM 228 CB LYS A 13 0.889 -9.252 0.462 1.00 0.00 C ATOM 229 CG LYS A 13 -0.090 -8.136 0.033 1.00 0.00 C ATOM 230 CD LYS A 13 -0.187 -8.046 -1.500 1.00 0.00 C ATOM 231 CE LYS A 13 -1.208 -6.965 -1.868 1.00 0.00 C ATOM 232 NZ LYS A 13 -1.312 -6.850 -3.331 1.00 0.00 N ATOM 0 H LYS A 13 -0.961 -10.084 1.877 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.094 -10.717 -0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.161 -9.122 1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.809 -9.179 -0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.077 -8.332 0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.244 -7.180 0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.787 -7.806 -1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.489 -9.007 -1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.181 -7.213 -1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.908 -6.009 -1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.238 -5.850 -3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.543 -7.390 -3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.228 -7.229 -3.645 1.00 0.00 H new ATOM 246 N LYS A 14 1.122 -12.422 1.634 1.00 0.00 N ATOM 247 CA LYS A 14 1.967 -13.570 1.961 1.00 0.00 C ATOM 248 C LYS A 14 3.452 -13.264 1.786 1.00 0.00 C ATOM 249 O LYS A 14 4.068 -13.693 0.802 1.00 0.00 O ATOM 250 CB LYS A 14 1.584 -14.789 1.109 1.00 0.00 C ATOM 251 CG LYS A 14 0.173 -15.261 1.472 1.00 0.00 C ATOM 252 CD LYS A 14 -0.208 -16.458 0.590 1.00 0.00 C ATOM 253 CE LYS A 14 -1.648 -16.888 0.896 1.00 0.00 C ATOM 254 NZ LYS A 14 -1.771 -17.244 2.334 1.00 0.00 N ATOM 0 H LYS A 14 0.405 -12.219 2.330 1.00 0.00 H new ATOM 0 HA LYS A 14 1.795 -13.796 3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.629 -14.532 0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.299 -15.596 1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.132 -15.543 2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.541 -14.450 1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.114 -16.191 -0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.476 -17.287 0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.338 -16.081 0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.922 -17.741 0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.630 -17.812 2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.939 -17.794 2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.830 -16.375 2.903 1.00 0.00 H new ATOM 268 N ILE A 15 4.042 -12.587 2.755 1.00 0.00 N ATOM 269 CA ILE A 15 5.463 -12.305 2.691 1.00 0.00 C ATOM 270 C ILE A 15 6.205 -13.499 3.276 1.00 0.00 C ATOM 271 O ILE A 15 5.924 -13.919 4.413 1.00 0.00 O ATOM 272 CB ILE A 15 5.820 -11.060 3.523 1.00 0.00 C ATOM 273 CG1 ILE A 15 5.012 -9.846 3.063 1.00 0.00 C ATOM 274 CG2 ILE A 15 7.310 -10.743 3.346 1.00 0.00 C ATOM 275 CD1 ILE A 15 5.302 -8.675 4.014 1.00 0.00 C ATOM 0 H ILE A 15 3.567 -12.227 3.583 1.00 0.00 H new ATOM 0 HA ILE A 15 5.742 -12.123 1.653 1.00 0.00 H new ATOM 0 HB ILE A 15 5.589 -11.269 4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.280 -9.578 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.947 -10.078 3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.567 -9.862 3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.905 -11.591 3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.519 -10.551 2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.732 -7.801 3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.013 -8.950 5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.367 -8.442 3.991 1.00 0.00 H new ATOM 287 N SER A 16 7.127 -14.049 2.514 1.00 0.00 N ATOM 288 CA SER A 16 7.912 -15.178 2.972 1.00 0.00 C ATOM 289 C SER A 16 8.947 -14.693 3.994 1.00 0.00 C ATOM 290 O SER A 16 9.164 -13.479 4.144 1.00 0.00 O ATOM 291 CB SER A 16 8.589 -15.878 1.786 1.00 0.00 C ATOM 292 OG SER A 16 7.903 -15.530 0.573 1.00 0.00 O ATOM 0 H SER A 16 7.352 -13.732 1.571 1.00 0.00 H new ATOM 0 HA SER A 16 7.258 -15.906 3.453 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.636 -15.581 1.723 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.572 -16.958 1.929 1.00 0.00 H new ATOM 0 HG SER A 16 8.429 -14.867 0.078 1.00 0.00 H new ATOM 298 N GLN A 17 9.530 -15.619 4.736 1.00 0.00 N ATOM 299 CA GLN A 17 10.438 -15.245 5.811 1.00 0.00 C ATOM 300 C GLN A 17 11.573 -14.373 5.284 1.00 0.00 C ATOM 301 O GLN A 17 11.919 -13.362 5.895 1.00 0.00 O ATOM 302 CB GLN A 17 11.024 -16.496 6.481 1.00 0.00 C ATOM 303 CG GLN A 17 9.903 -17.350 7.095 1.00 0.00 C ATOM 304 CD GLN A 17 9.198 -16.597 8.214 1.00 0.00 C ATOM 305 OE1 GLN A 17 7.967 -16.511 8.222 1.00 0.00 O ATOM 306 NE2 GLN A 17 9.894 -16.042 9.158 1.00 0.00 N ATOM 0 H GLN A 17 9.395 -16.623 4.618 1.00 0.00 H new ATOM 0 HA GLN A 17 9.868 -14.677 6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.577 -17.083 5.748 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.733 -16.203 7.256 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.182 -17.621 6.323 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.319 -18.280 7.483 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.911 -16.113 9.151 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.424 -15.534 9.907 1.00 0.00 H new ATOM 315 N SER A 18 12.138 -14.761 4.148 1.00 0.00 N ATOM 316 CA SER A 18 13.247 -14.020 3.562 1.00 0.00 C ATOM 317 C SER A 18 12.831 -12.593 3.213 1.00 0.00 C ATOM 318 O SER A 18 13.465 -11.637 3.639 1.00 0.00 O ATOM 319 CB SER A 18 13.748 -14.733 2.308 1.00 0.00 C ATOM 320 OG SER A 18 14.182 -16.048 2.658 1.00 0.00 O ATOM 0 H SER A 18 11.848 -15.581 3.616 1.00 0.00 H new ATOM 0 HA SER A 18 14.049 -13.973 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.954 -14.785 1.563 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.569 -14.173 1.860 1.00 0.00 H new ATOM 0 HG SER A 18 14.503 -16.511 1.856 1.00 0.00 H new ATOM 326 N GLU A 19 11.731 -12.455 2.486 1.00 0.00 N ATOM 327 CA GLU A 19 11.244 -11.147 2.108 1.00 0.00 C ATOM 328 C GLU A 19 10.828 -10.365 3.328 1.00 0.00 C ATOM 329 O GLU A 19 11.182 -9.198 3.482 1.00 0.00 O ATOM 330 CB GLU A 19 10.065 -11.273 1.139 1.00 0.00 C ATOM 331 CG GLU A 19 10.568 -11.766 -0.238 1.00 0.00 C ATOM 332 CD GLU A 19 10.753 -13.280 -0.269 1.00 0.00 C ATOM 333 OE1 GLU A 19 10.613 -13.903 0.754 1.00 0.00 O ATOM 334 OE2 GLU A 19 11.024 -13.793 -1.327 1.00 0.00 O ATOM 0 H GLU A 19 11.164 -13.234 2.150 1.00 0.00 H new ATOM 0 HA GLU A 19 12.053 -10.613 1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.328 -11.970 1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.567 -10.309 1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.858 -11.471 -1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.515 -11.280 -0.474 1.00 0.00 H new ATOM 341 N LEU A 20 10.136 -11.027 4.241 1.00 0.00 N ATOM 342 CA LEU A 20 9.745 -10.376 5.471 1.00 0.00 C ATOM 343 C LEU A 20 10.988 -9.991 6.253 1.00 0.00 C ATOM 344 O LEU A 20 11.133 -8.850 6.696 1.00 0.00 O ATOM 345 CB LEU A 20 8.823 -11.280 6.308 1.00 0.00 C ATOM 346 CG LEU A 20 8.374 -10.537 7.577 1.00 0.00 C ATOM 347 CD1 LEU A 20 7.630 -9.249 7.199 1.00 0.00 C ATOM 348 CD2 LEU A 20 7.445 -11.435 8.406 1.00 0.00 C ATOM 0 H LEU A 20 9.839 -11.999 4.153 1.00 0.00 H new ATOM 0 HA LEU A 20 9.181 -9.474 5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.953 -11.571 5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.346 -12.197 6.579 1.00 0.00 H new ATOM 0 HG LEU A 20 9.256 -10.284 8.165 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.316 -8.731 8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.291 -8.603 6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.753 -9.497 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.130 -10.903 9.304 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.568 -11.697 7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.976 -12.344 8.690 1.00 0.00 H new ATOM 360 N ALA A 21 11.940 -10.915 6.314 1.00 0.00 N ATOM 361 CA ALA A 21 13.217 -10.634 6.948 1.00 0.00 C ATOM 362 C ALA A 21 13.937 -9.535 6.198 1.00 0.00 C ATOM 363 O ALA A 21 14.522 -8.643 6.807 1.00 0.00 O ATOM 364 CB ALA A 21 14.092 -11.887 6.995 1.00 0.00 C ATOM 0 H ALA A 21 11.851 -11.858 5.934 1.00 0.00 H new ATOM 0 HA ALA A 21 13.025 -10.309 7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.042 -11.650 7.474 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.583 -12.665 7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.276 -12.241 5.980 1.00 0.00 H new ATOM 370 N ALA A 22 13.865 -9.583 4.873 1.00 0.00 N ATOM 371 CA ALA A 22 14.487 -8.564 4.038 1.00 0.00 C ATOM 372 C ALA A 22 13.934 -7.207 4.394 1.00 0.00 C ATOM 373 O ALA A 22 14.681 -6.265 4.654 1.00 0.00 O ATOM 374 CB ALA A 22 14.217 -8.850 2.558 1.00 0.00 C ATOM 0 H ALA A 22 13.382 -10.317 4.354 1.00 0.00 H new ATOM 0 HA ALA A 22 15.563 -8.579 4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.688 -8.080 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.628 -9.824 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.142 -8.849 2.377 1.00 0.00 H new ATOM 380 N LEU A 23 12.624 -7.128 4.476 1.00 0.00 N ATOM 381 CA LEU A 23 11.963 -5.899 4.877 1.00 0.00 C ATOM 382 C LEU A 23 12.364 -5.550 6.307 1.00 0.00 C ATOM 383 O LEU A 23 12.557 -4.384 6.652 1.00 0.00 O ATOM 384 CB LEU A 23 10.441 -6.052 4.778 1.00 0.00 C ATOM 385 CG LEU A 23 10.018 -6.204 3.304 1.00 0.00 C ATOM 386 CD1 LEU A 23 8.511 -6.479 3.214 1.00 0.00 C ATOM 387 CD2 LEU A 23 10.358 -4.931 2.526 1.00 0.00 C ATOM 0 H LEU A 23 11.991 -7.901 4.270 1.00 0.00 H new ATOM 0 HA LEU A 23 12.271 -5.095 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.117 -6.922 5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.951 -5.183 5.217 1.00 0.00 H new ATOM 0 HG LEU A 23 10.560 -7.043 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.222 -6.585 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.276 -7.399 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.962 -5.649 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.055 -5.049 1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.829 -4.085 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.432 -4.752 2.573 1.00 0.00 H new ATOM 399 N LEU A 24 12.460 -6.574 7.138 1.00 0.00 N ATOM 400 CA LEU A 24 12.796 -6.411 8.550 1.00 0.00 C ATOM 401 C LEU A 24 14.299 -6.372 8.822 1.00 0.00 C ATOM 402 O LEU A 24 14.719 -6.375 9.987 1.00 0.00 O ATOM 403 CB LEU A 24 12.092 -7.458 9.417 1.00 0.00 C ATOM 404 CG LEU A 24 10.646 -7.003 9.690 1.00 0.00 C ATOM 405 CD1 LEU A 24 9.813 -8.181 10.162 1.00 0.00 C ATOM 406 CD2 LEU A 24 10.665 -5.959 10.801 1.00 0.00 C ATOM 0 H LEU A 24 12.308 -7.543 6.857 1.00 0.00 H new ATOM 0 HA LEU A 24 12.421 -5.428 8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.092 -8.424 8.913 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.628 -7.589 10.357 1.00 0.00 H new ATOM 0 HG LEU A 24 10.219 -6.593 8.775 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.792 -7.851 10.353 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.807 -8.954 9.393 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.241 -8.585 11.079 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.647 -5.627 11.006 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.093 -6.396 11.703 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.269 -5.107 10.489 1.00 0.00 H new ATOM 418 N GLU A 25 15.114 -6.230 7.765 1.00 0.00 N ATOM 419 CA GLU A 25 16.559 -6.066 7.969 1.00 0.00 C ATOM 420 C GLU A 25 16.815 -4.834 8.814 1.00 0.00 C ATOM 421 O GLU A 25 17.703 -4.833 9.666 1.00 0.00 O ATOM 422 CB GLU A 25 17.332 -5.969 6.654 1.00 0.00 C ATOM 423 CG GLU A 25 17.369 -7.336 5.955 1.00 0.00 C ATOM 424 CD GLU A 25 18.156 -7.251 4.651 1.00 0.00 C ATOM 425 OE1 GLU A 25 18.593 -6.170 4.300 1.00 0.00 O ATOM 426 OE2 GLU A 25 18.323 -8.262 4.023 1.00 0.00 O ATOM 0 H GLU A 25 14.810 -6.225 6.792 1.00 0.00 H new ATOM 0 HA GLU A 25 16.919 -6.957 8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 25 16.863 -5.232 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 25 18.348 -5.624 6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 25 17.825 -8.075 6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.353 -7.674 5.751 1.00 0.00 H new ATOM 433 N VAL A 26 15.916 -3.874 8.710 1.00 0.00 N ATOM 434 CA VAL A 26 15.915 -2.745 9.612 1.00 0.00 C ATOM 435 C VAL A 26 14.810 -3.008 10.615 1.00 0.00 C ATOM 436 O VAL A 26 13.790 -3.611 10.262 1.00 0.00 O ATOM 437 CB VAL A 26 15.633 -1.453 8.838 1.00 0.00 C ATOM 438 CG1 VAL A 26 15.896 -0.238 9.733 1.00 0.00 C ATOM 439 CG2 VAL A 26 16.541 -1.383 7.596 1.00 0.00 C ATOM 0 H VAL A 26 15.177 -3.856 8.007 1.00 0.00 H new ATOM 0 HA VAL A 26 16.879 -2.627 10.106 1.00 0.00 H new ATOM 0 HB VAL A 26 14.589 -1.448 8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.693 0.676 9.175 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.245 -0.282 10.606 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.937 -0.242 10.056 1.00 0.00 H new ATOM 0 HG21 VAL A 26 16.338 -0.463 7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.585 -1.397 7.908 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.343 -2.240 6.952 1.00 0.00 H new ATOM 449 N SER A 27 15.083 -2.764 11.877 1.00 0.00 N ATOM 450 CA SER A 27 14.180 -3.236 12.906 1.00 0.00 C ATOM 451 C SER A 27 12.895 -2.429 12.993 1.00 0.00 C ATOM 452 O SER A 27 12.889 -1.324 13.543 1.00 0.00 O ATOM 453 CB SER A 27 14.876 -3.220 14.271 1.00 0.00 C ATOM 454 OG SER A 27 16.227 -3.669 14.145 1.00 0.00 O ATOM 0 H SER A 27 15.901 -2.255 12.212 1.00 0.00 H new ATOM 0 HA SER A 27 13.907 -4.254 12.627 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.858 -2.211 14.684 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.337 -3.860 14.969 1.00 0.00 H new ATOM 0 HG SER A 27 16.661 -3.652 15.024 1.00 0.00 H new ATOM 460 N ARG A 28 11.783 -3.110 12.752 1.00 0.00 N ATOM 461 CA ARG A 28 10.489 -2.602 13.167 1.00 0.00 C ATOM 462 C ARG A 28 10.371 -2.718 14.673 1.00 0.00 C ATOM 463 O ARG A 28 9.626 -1.997 15.299 1.00 0.00 O ATOM 464 CB ARG A 28 9.312 -3.337 12.512 1.00 0.00 C ATOM 465 CG ARG A 28 9.184 -2.980 11.032 1.00 0.00 C ATOM 466 CD ARG A 28 7.959 -3.707 10.468 1.00 0.00 C ATOM 467 NE ARG A 28 6.751 -3.232 11.159 1.00 0.00 N ATOM 468 CZ ARG A 28 5.677 -4.011 11.366 1.00 0.00 C ATOM 469 NH1 ARG A 28 5.660 -5.240 10.924 1.00 0.00 N ATOM 470 NH2 ARG A 28 4.654 -3.542 12.017 1.00 0.00 N ATOM 0 H ARG A 28 11.754 -4.010 12.274 1.00 0.00 H new ATOM 0 HA ARG A 28 10.435 -1.562 12.844 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.449 -4.413 12.617 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.388 -3.081 13.030 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.076 -1.902 10.909 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.083 -3.274 10.491 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.875 -3.524 9.397 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.068 -4.783 10.600 1.00 0.00 H new ATOM 0 HE ARG A 28 6.728 -2.269 11.496 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.465 -5.612 10.419 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.842 -5.828 11.084 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.669 -2.585 12.369 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.837 -4.131 12.176 1.00 0.00 H new ATOM 484 N GLN A 29 10.958 -3.786 15.194 1.00 0.00 N ATOM 485 CA GLN A 29 10.751 -4.239 16.570 1.00 0.00 C ATOM 486 C GLN A 29 10.694 -3.093 17.571 1.00 0.00 C ATOM 487 O GLN A 29 9.764 -3.025 18.383 1.00 0.00 O ATOM 488 CB GLN A 29 11.875 -5.198 16.948 1.00 0.00 C ATOM 489 CG GLN A 29 11.809 -6.429 16.036 1.00 0.00 C ATOM 490 CD GLN A 29 12.788 -6.272 14.889 1.00 0.00 C ATOM 491 OE1 GLN A 29 12.598 -5.403 14.029 1.00 0.00 O ATOM 492 NE2 GLN A 29 13.826 -7.039 14.821 1.00 0.00 N ATOM 0 H GLN A 29 11.603 -4.375 14.667 1.00 0.00 H new ATOM 0 HA GLN A 29 9.783 -4.738 16.610 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.841 -4.705 16.845 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.780 -5.497 17.992 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.044 -7.328 16.606 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.798 -6.552 15.649 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.979 -7.754 15.532 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.492 -6.929 14.056 1.00 0.00 H new ATOM 501 N THR A 30 11.633 -2.178 17.495 1.00 0.00 N ATOM 502 CA THR A 30 11.625 -1.049 18.400 1.00 0.00 C ATOM 503 C THR A 30 10.340 -0.241 18.215 1.00 0.00 C ATOM 504 O THR A 30 9.582 -0.023 19.164 1.00 0.00 O ATOM 505 CB THR A 30 12.867 -0.184 18.144 1.00 0.00 C ATOM 506 OG1 THR A 30 13.357 -0.459 16.826 1.00 0.00 O ATOM 507 CG2 THR A 30 13.951 -0.536 19.169 1.00 0.00 C ATOM 0 H THR A 30 12.403 -2.191 16.826 1.00 0.00 H new ATOM 0 HA THR A 30 11.654 -1.401 19.431 1.00 0.00 H new ATOM 0 HB THR A 30 12.610 0.871 18.234 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.150 0.090 16.651 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.834 0.077 18.989 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.576 -0.346 20.175 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.215 -1.589 19.073 1.00 0.00 H new ATOM 515 N ILE A 31 10.034 0.072 16.970 1.00 0.00 N ATOM 516 CA ILE A 31 8.782 0.723 16.636 1.00 0.00 C ATOM 517 C ILE A 31 7.618 -0.214 16.960 1.00 0.00 C ATOM 518 O ILE A 31 6.583 0.205 17.461 1.00 0.00 O ATOM 519 CB ILE A 31 8.752 1.097 15.151 1.00 0.00 C ATOM 520 CG1 ILE A 31 9.806 2.173 14.871 1.00 0.00 C ATOM 521 CG2 ILE A 31 7.369 1.659 14.795 1.00 0.00 C ATOM 522 CD1 ILE A 31 9.942 2.366 13.356 1.00 0.00 C ATOM 0 H ILE A 31 10.639 -0.115 16.170 1.00 0.00 H new ATOM 0 HA ILE A 31 8.690 1.636 17.225 1.00 0.00 H new ATOM 0 HB ILE A 31 8.960 0.209 14.554 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.519 3.112 15.345 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.764 1.880 15.299 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.346 1.926 13.738 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.607 0.906 14.996 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.170 2.545 15.397 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.691 3.131 13.152 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.248 1.427 12.896 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.983 2.678 12.941 1.00 0.00 H new ATOM 534 N ASN A 32 7.785 -1.479 16.610 1.00 0.00 N ATOM 535 CA ASN A 32 6.726 -2.464 16.732 1.00 0.00 C ATOM 536 C ASN A 32 6.239 -2.515 18.155 1.00 0.00 C ATOM 537 O ASN A 32 5.033 -2.635 18.408 1.00 0.00 O ATOM 538 CB ASN A 32 7.227 -3.850 16.313 1.00 0.00 C ATOM 539 CG ASN A 32 6.077 -4.858 16.337 1.00 0.00 C ATOM 540 OD1 ASN A 32 5.004 -4.614 15.748 1.00 0.00 O ATOM 541 ND2 ASN A 32 6.230 -5.985 16.959 1.00 0.00 N ATOM 0 H ASN A 32 8.658 -1.850 16.234 1.00 0.00 H new ATOM 0 HA ASN A 32 5.907 -2.174 16.075 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.657 -3.802 15.313 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.020 -4.176 16.986 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.474 -6.670 16.966 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.106 -6.187 17.441 1.00 0.00 H new ATOM 548 N GLY A 33 7.166 -2.383 19.089 1.00 0.00 N ATOM 549 CA GLY A 33 6.814 -2.374 20.493 1.00 0.00 C ATOM 550 C GLY A 33 5.827 -1.252 20.786 1.00 0.00 C ATOM 551 O GLY A 33 4.736 -1.504 21.318 1.00 0.00 O ATOM 0 H GLY A 33 8.163 -2.281 18.899 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.377 -3.333 20.771 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.711 -2.245 21.098 1.00 0.00 H new ATOM 555 N ILE A 34 6.140 -0.032 20.338 1.00 0.00 N ATOM 556 CA ILE A 34 5.198 1.064 20.511 1.00 0.00 C ATOM 557 C ILE A 34 4.080 0.948 19.502 1.00 0.00 C ATOM 558 O ILE A 34 2.935 1.346 19.771 1.00 0.00 O ATOM 559 CB ILE A 34 5.881 2.432 20.376 1.00 0.00 C ATOM 560 CG1 ILE A 34 6.480 2.594 18.976 1.00 0.00 C ATOM 561 CG2 ILE A 34 7.000 2.547 21.409 1.00 0.00 C ATOM 562 CD1 ILE A 34 6.936 4.039 18.790 1.00 0.00 C ATOM 0 H ILE A 34 7.012 0.212 19.868 1.00 0.00 H new ATOM 0 HA ILE A 34 4.792 0.993 21.520 1.00 0.00 H new ATOM 0 HB ILE A 34 5.136 3.211 20.540 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.323 1.915 18.847 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.741 2.333 18.219 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.485 3.518 21.313 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.582 2.447 22.411 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.733 1.758 21.241 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.364 4.160 17.795 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.082 4.707 18.902 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.688 4.283 19.540 1.00 0.00 H new ATOM 574 N GLU A 35 4.388 0.342 18.364 1.00 0.00 N ATOM 575 CA GLU A 35 3.406 0.161 17.334 1.00 0.00 C ATOM 576 C GLU A 35 2.262 -0.614 17.891 1.00 0.00 C ATOM 577 O GLU A 35 1.151 -0.147 17.887 1.00 0.00 O ATOM 578 CB GLU A 35 3.994 -0.611 16.138 1.00 0.00 C ATOM 579 CG GLU A 35 2.948 -0.740 15.016 1.00 0.00 C ATOM 580 CD GLU A 35 3.490 -1.577 13.860 1.00 0.00 C ATOM 581 OE1 GLU A 35 4.688 -1.612 13.663 1.00 0.00 O ATOM 582 OE2 GLU A 35 2.697 -2.238 13.222 1.00 0.00 O ATOM 0 H GLU A 35 5.312 -0.028 18.142 1.00 0.00 H new ATOM 0 HA GLU A 35 3.079 1.142 16.989 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.877 -0.095 15.763 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.316 -1.602 16.459 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.041 -1.200 15.410 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.672 0.251 14.655 1.00 0.00 H new ATOM 589 N LYS A 36 2.546 -1.780 18.441 1.00 0.00 N ATOM 590 CA LYS A 36 1.476 -2.611 18.964 1.00 0.00 C ATOM 591 C LYS A 36 0.971 -2.082 20.297 1.00 0.00 C ATOM 592 O LYS A 36 -0.152 -2.380 20.697 1.00 0.00 O ATOM 593 CB LYS A 36 1.958 -4.063 19.123 1.00 0.00 C ATOM 594 CG LYS A 36 2.410 -4.613 17.759 1.00 0.00 C ATOM 595 CD LYS A 36 1.232 -4.657 16.773 1.00 0.00 C ATOM 596 CE LYS A 36 1.764 -4.877 15.354 1.00 0.00 C ATOM 597 NZ LYS A 36 2.792 -3.843 15.058 1.00 0.00 N ATOM 0 H LYS A 36 3.485 -2.167 18.537 1.00 0.00 H new ATOM 0 HA LYS A 36 0.651 -2.584 18.252 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.783 -4.107 19.835 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.156 -4.680 19.527 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.206 -3.987 17.355 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.824 -5.614 17.884 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.546 -5.459 17.044 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.668 -3.726 16.821 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.195 -5.874 15.264 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.949 -4.816 14.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.759 -3.600 14.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.602 -2.992 15.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.735 -4.213 15.295 1.00 0.00 H new ATOM 611 N ASN A 37 1.775 -1.266 20.963 1.00 0.00 N ATOM 612 CA ASN A 37 1.353 -0.685 22.233 1.00 0.00 C ATOM 613 C ASN A 37 0.215 0.302 22.047 1.00 0.00 C ATOM 614 O ASN A 37 -0.746 0.318 22.822 1.00 0.00 O ATOM 615 CB ASN A 37 2.519 0.023 22.920 1.00 0.00 C ATOM 616 CG ASN A 37 2.002 0.815 24.119 1.00 0.00 C ATOM 617 OD1 ASN A 37 1.755 2.015 24.000 1.00 0.00 O ATOM 618 ND2 ASN A 37 1.824 0.223 25.261 1.00 0.00 N ATOM 0 H ASN A 37 2.708 -0.993 20.654 1.00 0.00 H new ATOM 0 HA ASN A 37 1.005 -1.508 22.858 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.260 -0.707 23.246 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.017 0.691 22.217 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.479 0.752 26.062 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.029 -0.771 25.357 1.00 0.00 H new ATOM 625 N LYS A 38 0.382 1.200 21.091 1.00 0.00 N ATOM 626 CA LYS A 38 -0.565 2.285 20.903 1.00 0.00 C ATOM 627 C LYS A 38 -1.179 2.290 19.514 1.00 0.00 C ATOM 628 O LYS A 38 -2.229 2.905 19.301 1.00 0.00 O ATOM 629 CB LYS A 38 0.129 3.621 21.198 1.00 0.00 C ATOM 630 CG LYS A 38 1.203 3.917 20.135 1.00 0.00 C ATOM 631 CD LYS A 38 2.454 4.532 20.790 1.00 0.00 C ATOM 632 CE LYS A 38 2.141 5.926 21.356 1.00 0.00 C ATOM 633 NZ LYS A 38 1.508 6.784 20.317 1.00 0.00 N ATOM 0 H LYS A 38 1.163 1.199 20.435 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.389 2.135 21.601 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.607 4.425 21.213 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.587 3.589 22.187 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.472 2.997 19.615 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.804 4.601 19.386 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.810 3.881 21.589 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.257 4.604 20.056 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.476 5.835 22.215 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.059 6.394 21.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.443 7.761 20.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.084 6.763 19.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.554 6.428 20.107 1.00 0.00 H new ATOM 647 N TYR A 39 -0.501 1.667 18.567 1.00 0.00 N ATOM 648 CA TYR A 39 -0.932 1.686 17.175 1.00 0.00 C ATOM 649 C TYR A 39 -1.266 0.293 16.659 1.00 0.00 C ATOM 650 O TYR A 39 -1.062 -0.721 17.329 1.00 0.00 O ATOM 651 CB TYR A 39 0.157 2.277 16.247 1.00 0.00 C ATOM 652 CG TYR A 39 0.662 3.617 16.733 1.00 0.00 C ATOM 653 CD1 TYR A 39 -0.215 4.693 16.911 1.00 0.00 C ATOM 654 CD2 TYR A 39 2.028 3.786 16.980 1.00 0.00 C ATOM 655 CE1 TYR A 39 0.282 5.929 17.343 1.00 0.00 C ATOM 656 CE2 TYR A 39 2.523 5.011 17.408 1.00 0.00 C ATOM 657 CZ TYR A 39 1.653 6.084 17.588 1.00 0.00 C ATOM 658 OH TYR A 39 2.149 7.296 18.023 1.00 0.00 O ATOM 0 H TYR A 39 0.355 1.138 18.735 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.825 2.311 17.156 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.992 1.579 16.180 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.247 2.387 15.241 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.270 4.571 16.716 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.704 2.956 16.837 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.391 6.762 17.487 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.579 5.131 17.601 1.00 0.00 H new ATOM 0 HH TYR A 39 3.119 7.228 18.144 1.00 0.00 H new ATOM 668 N ASN A 40 -1.596 0.268 15.398 1.00 0.00 N ATOM 669 CA ASN A 40 -1.650 -0.941 14.603 1.00 0.00 C ATOM 670 C ASN A 40 -0.739 -0.668 13.412 1.00 0.00 C ATOM 671 O ASN A 40 -0.174 0.435 13.336 1.00 0.00 O ATOM 672 CB ASN A 40 -3.075 -1.205 14.139 1.00 0.00 C ATOM 673 CG ASN A 40 -3.412 -2.680 14.277 1.00 0.00 C ATOM 674 OD1 ASN A 40 -3.862 -3.298 13.318 1.00 0.00 O ATOM 675 ND2 ASN A 40 -3.227 -3.277 15.406 1.00 0.00 N ATOM 0 H ASN A 40 -1.843 1.108 14.874 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.335 -1.820 15.165 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -3.772 -0.609 14.728 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.189 -0.895 13.100 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.455 -4.266 15.503 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.853 -2.760 16.201 1.00 0.00 H new ATOM 682 N PRO A 41 -0.582 -1.567 12.466 1.00 0.00 N ATOM 683 CA PRO A 41 0.305 -1.218 11.318 1.00 0.00 C ATOM 684 C PRO A 41 -0.160 0.095 10.691 1.00 0.00 C ATOM 685 O PRO A 41 -1.206 0.154 10.037 1.00 0.00 O ATOM 686 CB PRO A 41 0.142 -2.389 10.343 1.00 0.00 C ATOM 687 CG PRO A 41 -0.308 -3.528 11.194 1.00 0.00 C ATOM 688 CD PRO A 41 -1.166 -2.911 12.291 1.00 0.00 C ATOM 0 HA PRO A 41 1.347 -1.075 11.605 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.589 -2.160 9.568 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.081 -2.618 9.838 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.879 -4.251 10.611 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.544 -4.061 11.617 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.215 -2.859 11.999 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.120 -3.492 13.212 1.00 0.00 H new ATOM 696 N SER A 42 0.587 1.150 10.956 1.00 0.00 N ATOM 697 CA SER A 42 0.244 2.474 10.473 1.00 0.00 C ATOM 698 C SER A 42 0.710 2.659 9.044 1.00 0.00 C ATOM 699 O SER A 42 1.607 1.950 8.581 1.00 0.00 O ATOM 700 CB SER A 42 0.835 3.552 11.378 1.00 0.00 C ATOM 701 OG SER A 42 0.538 3.242 12.742 1.00 0.00 O ATOM 0 H SER A 42 1.444 1.114 11.509 1.00 0.00 H new ATOM 0 HA SER A 42 -0.841 2.572 10.494 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.914 3.612 11.234 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.424 4.527 11.117 1.00 0.00 H new ATOM 0 HG SER A 42 0.178 2.332 12.800 1.00 0.00 H new ATOM 707 N LEU A 43 0.092 3.590 8.338 1.00 0.00 N ATOM 708 CA LEU A 43 0.417 3.794 6.942 1.00 0.00 C ATOM 709 C LEU A 43 1.873 4.208 6.779 1.00 0.00 C ATOM 710 O LEU A 43 2.585 3.645 5.961 1.00 0.00 O ATOM 711 CB LEU A 43 -0.505 4.848 6.310 1.00 0.00 C ATOM 712 CG LEU A 43 -1.946 4.320 6.239 1.00 0.00 C ATOM 713 CD1 LEU A 43 -2.865 5.406 5.679 1.00 0.00 C ATOM 714 CD2 LEU A 43 -2.012 3.081 5.338 1.00 0.00 C ATOM 0 H LEU A 43 -0.630 4.210 8.706 1.00 0.00 H new ATOM 0 HA LEU A 43 0.264 2.847 6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.475 5.766 6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.152 5.097 5.309 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.271 4.048 7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.886 5.029 5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.832 6.281 6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.532 5.684 4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.038 2.716 5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.678 3.343 4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.366 2.302 5.743 1.00 0.00 H new ATOM 726 N GLN A 44 2.338 5.106 7.639 1.00 0.00 N ATOM 727 CA GLN A 44 3.747 5.527 7.602 1.00 0.00 C ATOM 728 C GLN A 44 4.643 4.330 7.864 1.00 0.00 C ATOM 729 O GLN A 44 5.632 4.104 7.166 1.00 0.00 O ATOM 730 CB GLN A 44 4.020 6.593 8.676 1.00 0.00 C ATOM 731 CG GLN A 44 2.845 7.570 8.771 1.00 0.00 C ATOM 732 CD GLN A 44 1.855 7.076 9.816 1.00 0.00 C ATOM 733 OE1 GLN A 44 1.073 6.158 9.539 1.00 0.00 O ATOM 734 NE2 GLN A 44 1.836 7.611 10.989 1.00 0.00 N ATOM 0 H GLN A 44 1.776 5.555 8.362 1.00 0.00 H new ATOM 0 HA GLN A 44 3.956 5.946 6.618 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.180 6.113 9.641 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.934 7.136 8.434 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.205 8.564 9.038 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.353 7.659 7.802 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.482 8.368 11.215 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.175 7.278 11.691 1.00 0.00 H new ATOM 743 N LEU A 45 4.269 3.561 8.871 1.00 0.00 N ATOM 744 CA LEU A 45 5.007 2.372 9.252 1.00 0.00 C ATOM 745 C LEU A 45 4.967 1.352 8.124 1.00 0.00 C ATOM 746 O LEU A 45 5.948 0.659 7.858 1.00 0.00 O ATOM 747 CB LEU A 45 4.397 1.769 10.522 1.00 0.00 C ATOM 748 CG LEU A 45 4.597 2.736 11.706 1.00 0.00 C ATOM 749 CD1 LEU A 45 3.850 2.218 12.933 1.00 0.00 C ATOM 750 CD2 LEU A 45 6.086 2.861 12.045 1.00 0.00 C ATOM 0 H LEU A 45 3.447 3.743 9.446 1.00 0.00 H new ATOM 0 HA LEU A 45 6.044 2.643 9.447 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.334 1.579 10.371 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.865 0.809 10.741 1.00 0.00 H new ATOM 0 HG LEU A 45 4.207 3.714 11.422 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.996 2.906 13.765 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.786 2.143 12.707 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.234 1.234 13.204 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.212 3.547 12.883 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.481 1.882 12.315 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.626 3.244 11.179 1.00 0.00 H new ATOM 762 N ALA A 46 3.804 1.231 7.510 1.00 0.00 N ATOM 763 CA ALA A 46 3.567 0.265 6.444 1.00 0.00 C ATOM 764 C ALA A 46 4.411 0.541 5.203 1.00 0.00 C ATOM 765 O ALA A 46 4.607 -0.349 4.385 1.00 0.00 O ATOM 766 CB ALA A 46 2.085 0.253 6.057 1.00 0.00 C ATOM 0 H ALA A 46 2.990 1.802 7.736 1.00 0.00 H new ATOM 0 HA ALA A 46 3.861 -0.709 6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.923 -0.473 5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.485 -0.021 6.925 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.791 1.244 5.711 1.00 0.00 H new ATOM 772 N LEU A 47 4.824 1.789 5.016 1.00 0.00 N ATOM 773 CA LEU A 47 5.477 2.193 3.761 1.00 0.00 C ATOM 774 C LEU A 47 6.737 1.397 3.474 1.00 0.00 C ATOM 775 O LEU A 47 6.968 1.002 2.340 1.00 0.00 O ATOM 776 CB LEU A 47 5.829 3.684 3.791 1.00 0.00 C ATOM 777 CG LEU A 47 4.561 4.534 3.672 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.891 5.984 4.035 1.00 0.00 C ATOM 779 CD2 LEU A 47 4.047 4.490 2.223 1.00 0.00 C ATOM 0 H LEU A 47 4.724 2.536 5.703 1.00 0.00 H new ATOM 0 HA LEU A 47 4.760 1.990 2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.349 3.923 4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.511 3.920 2.974 1.00 0.00 H new ATOM 0 HG LEU A 47 3.799 4.143 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.991 6.594 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.265 6.027 5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.652 6.365 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.144 5.095 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.812 4.884 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.820 3.460 1.949 1.00 0.00 H new ATOM 791 N LYS A 48 7.554 1.168 4.475 1.00 0.00 N ATOM 792 CA LYS A 48 8.803 0.455 4.247 1.00 0.00 C ATOM 793 C LYS A 48 8.531 -0.957 3.739 1.00 0.00 C ATOM 794 O LYS A 48 9.159 -1.413 2.778 1.00 0.00 O ATOM 795 CB LYS A 48 9.641 0.420 5.530 1.00 0.00 C ATOM 796 CG LYS A 48 10.098 1.842 5.893 1.00 0.00 C ATOM 797 CD LYS A 48 11.071 2.373 4.828 1.00 0.00 C ATOM 798 CE LYS A 48 11.814 3.596 5.378 1.00 0.00 C ATOM 799 NZ LYS A 48 10.836 4.543 5.970 1.00 0.00 N ATOM 0 H LYS A 48 7.388 1.456 5.439 1.00 0.00 H new ATOM 0 HA LYS A 48 9.370 0.986 3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.055 -0.003 6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.508 -0.226 5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.234 2.502 5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.582 1.838 6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.783 1.596 4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.525 2.642 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.539 3.286 6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.373 4.085 4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.274 5.481 6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.001 4.611 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.546 4.201 6.908 1.00 0.00 H new ATOM 813 N ILE A 49 7.564 -1.625 4.345 1.00 0.00 N ATOM 814 CA ILE A 49 7.162 -2.956 3.912 1.00 0.00 C ATOM 815 C ILE A 49 6.162 -2.899 2.741 1.00 0.00 C ATOM 816 O ILE A 49 6.000 -3.877 1.991 1.00 0.00 O ATOM 817 CB ILE A 49 6.632 -3.770 5.103 1.00 0.00 C ATOM 818 CG1 ILE A 49 5.450 -3.048 5.772 1.00 0.00 C ATOM 819 CG2 ILE A 49 7.754 -3.961 6.132 1.00 0.00 C ATOM 820 CD1 ILE A 49 4.919 -3.908 6.932 1.00 0.00 C ATOM 0 H ILE A 49 7.039 -1.266 5.143 1.00 0.00 H new ATOM 0 HA ILE A 49 8.042 -3.473 3.529 1.00 0.00 H new ATOM 0 HB ILE A 49 6.291 -4.738 4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.767 -2.073 6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.658 -2.870 5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.378 -4.538 6.977 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.585 -4.493 5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.097 -2.987 6.482 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.081 -3.399 7.408 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.587 -4.872 6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.713 -4.063 7.663 1.00 0.00 H new ATOM 832 N ALA A 50 5.473 -1.761 2.613 1.00 0.00 N ATOM 833 CA ALA A 50 4.447 -1.578 1.584 1.00 0.00 C ATOM 834 C ALA A 50 5.006 -1.814 0.195 1.00 0.00 C ATOM 835 O ALA A 50 4.283 -2.222 -0.705 1.00 0.00 O ATOM 836 CB ALA A 50 3.858 -0.166 1.644 1.00 0.00 C ATOM 0 H ALA A 50 5.609 -0.948 3.214 1.00 0.00 H new ATOM 0 HA ALA A 50 3.665 -2.311 1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.099 -0.055 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.406 -0.002 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.650 0.566 1.483 1.00 0.00 H new ATOM 842 N TYR A 51 6.264 -1.475 -0.005 1.00 0.00 N ATOM 843 CA TYR A 51 6.850 -1.578 -1.331 1.00 0.00 C ATOM 844 C TYR A 51 6.738 -3.006 -1.824 1.00 0.00 C ATOM 845 O TYR A 51 6.285 -3.250 -2.947 1.00 0.00 O ATOM 846 CB TYR A 51 8.316 -1.130 -1.312 1.00 0.00 C ATOM 847 CG TYR A 51 8.382 0.329 -0.905 1.00 0.00 C ATOM 848 CD1 TYR A 51 7.767 1.309 -1.700 1.00 0.00 C ATOM 849 CD2 TYR A 51 9.040 0.704 0.270 1.00 0.00 C ATOM 850 CE1 TYR A 51 7.818 2.649 -1.319 1.00 0.00 C ATOM 851 CE2 TYR A 51 9.087 2.047 0.649 1.00 0.00 C ATOM 852 CZ TYR A 51 8.478 3.018 -0.146 1.00 0.00 C ATOM 853 OH TYR A 51 8.530 4.344 0.231 1.00 0.00 O ATOM 0 H TYR A 51 6.894 -1.131 0.720 1.00 0.00 H new ATOM 0 HA TYR A 51 6.307 -0.921 -2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.887 -1.742 -0.614 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.764 -1.267 -2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.254 1.025 -2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.513 -0.047 0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.346 3.402 -1.932 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.595 2.334 1.558 1.00 0.00 H new ATOM 0 HH TYR A 51 9.026 4.426 1.072 1.00 0.00 H new ATOM 863 N TYR A 52 7.037 -3.954 -0.950 1.00 0.00 N ATOM 864 CA TYR A 52 6.804 -5.353 -1.272 1.00 0.00 C ATOM 865 C TYR A 52 5.307 -5.599 -1.460 1.00 0.00 C ATOM 866 O TYR A 52 4.890 -6.365 -2.334 1.00 0.00 O ATOM 867 CB TYR A 52 7.345 -6.283 -0.180 1.00 0.00 C ATOM 868 CG TYR A 52 6.979 -7.697 -0.553 1.00 0.00 C ATOM 869 CD1 TYR A 52 7.763 -8.400 -1.474 1.00 0.00 C ATOM 870 CD2 TYR A 52 5.832 -8.289 -0.008 1.00 0.00 C ATOM 871 CE1 TYR A 52 7.400 -9.690 -1.857 1.00 0.00 C ATOM 872 CE2 TYR A 52 5.475 -9.581 -0.383 1.00 0.00 C ATOM 873 CZ TYR A 52 6.258 -10.282 -1.308 1.00 0.00 C ATOM 874 OH TYR A 52 5.890 -11.550 -1.688 1.00 0.00 O ATOM 0 H TYR A 52 7.435 -3.785 -0.026 1.00 0.00 H new ATOM 0 HA TYR A 52 7.336 -5.575 -2.197 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.426 -6.179 -0.092 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.920 -6.022 0.789 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.650 -7.943 -1.888 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.226 -7.744 0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.999 -10.231 -2.575 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.595 -10.042 0.039 1.00 0.00 H new ATOM 0 HH TYR A 52 5.075 -11.811 -1.211 1.00 0.00 H new ATOM 884 N LEU A 53 4.522 -5.038 -0.548 1.00 0.00 N ATOM 885 CA LEU A 53 3.079 -5.263 -0.511 1.00 0.00 C ATOM 886 C LEU A 53 2.368 -4.432 -1.573 1.00 0.00 C ATOM 887 O LEU A 53 1.850 -3.355 -1.281 1.00 0.00 O ATOM 888 CB LEU A 53 2.538 -4.894 0.879 1.00 0.00 C ATOM 889 CG LEU A 53 3.196 -5.783 1.954 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.840 -5.264 3.350 1.00 0.00 C ATOM 891 CD2 LEU A 53 2.677 -7.212 1.822 1.00 0.00 C ATOM 0 H LEU A 53 4.864 -4.416 0.185 1.00 0.00 H new ATOM 0 HA LEU A 53 2.889 -6.317 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.740 -3.844 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.456 -5.021 0.903 1.00 0.00 H new ATOM 0 HG LEU A 53 4.277 -5.760 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.308 -5.897 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.200 -4.241 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.758 -5.284 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.142 -7.840 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.595 -7.220 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.922 -7.598 0.833 1.00 0.00 H new ATOM 903 N ASN A 54 2.315 -4.959 -2.793 1.00 0.00 N ATOM 904 CA ASN A 54 1.658 -4.277 -3.918 1.00 0.00 C ATOM 905 C ASN A 54 0.215 -3.896 -3.577 1.00 0.00 C ATOM 906 O ASN A 54 -0.730 -4.633 -3.878 1.00 0.00 O ATOM 907 CB ASN A 54 1.708 -5.157 -5.190 1.00 0.00 C ATOM 908 CG ASN A 54 0.795 -6.370 -5.058 1.00 0.00 C ATOM 909 OD1 ASN A 54 0.955 -7.170 -4.129 1.00 0.00 O ATOM 910 ND2 ASN A 54 -0.154 -6.562 -5.916 1.00 0.00 N ATOM 0 H ASN A 54 2.721 -5.863 -3.035 1.00 0.00 H new ATOM 0 HA ASN A 54 2.204 -3.354 -4.113 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.409 -4.566 -6.056 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.732 -5.487 -5.367 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.768 -7.372 -5.825 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.289 -5.904 -6.683 1.00 0.00 H new ATOM 917 N THR A 55 0.054 -2.789 -2.871 1.00 0.00 N ATOM 918 CA THR A 55 -1.260 -2.363 -2.405 1.00 0.00 C ATOM 919 C THR A 55 -1.267 -0.870 -2.065 1.00 0.00 C ATOM 920 O THR A 55 -0.615 -0.447 -1.104 1.00 0.00 O ATOM 921 CB THR A 55 -1.654 -3.183 -1.160 1.00 0.00 C ATOM 922 OG1 THR A 55 -0.560 -4.026 -0.773 1.00 0.00 O ATOM 923 CG2 THR A 55 -2.885 -4.047 -1.469 1.00 0.00 C ATOM 0 H THR A 55 0.817 -2.166 -2.606 1.00 0.00 H new ATOM 0 HA THR A 55 -1.982 -2.533 -3.204 1.00 0.00 H new ATOM 0 HB THR A 55 -1.893 -2.500 -0.345 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.250 -3.484 -0.671 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.157 -4.623 -0.584 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.718 -3.405 -1.754 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.655 -4.728 -2.289 1.00 0.00 H new ATOM 931 N PRO A 56 -1.983 -0.061 -2.811 1.00 0.00 N ATOM 932 CA PRO A 56 -2.058 1.400 -2.489 1.00 0.00 C ATOM 933 C PRO A 56 -2.656 1.620 -1.098 1.00 0.00 C ATOM 934 O PRO A 56 -3.693 1.038 -0.759 1.00 0.00 O ATOM 935 CB PRO A 56 -2.984 1.963 -3.572 1.00 0.00 C ATOM 936 CG PRO A 56 -2.850 1.013 -4.717 1.00 0.00 C ATOM 937 CD PRO A 56 -2.667 -0.369 -4.087 1.00 0.00 C ATOM 0 HA PRO A 56 -1.080 1.880 -2.476 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.015 2.018 -3.222 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.690 2.973 -3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.734 1.039 -5.354 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.998 1.273 -5.345 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.622 -0.868 -3.923 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.068 -1.025 -4.719 1.00 0.00 H new ATOM 945 N LEU A 57 -2.018 2.472 -0.312 1.00 0.00 N ATOM 946 CA LEU A 57 -2.479 2.759 1.036 1.00 0.00 C ATOM 947 C LEU A 57 -3.815 3.471 1.035 1.00 0.00 C ATOM 948 O LEU A 57 -4.622 3.293 1.944 1.00 0.00 O ATOM 949 CB LEU A 57 -1.453 3.581 1.811 1.00 0.00 C ATOM 950 CG LEU A 57 -0.174 2.753 2.014 1.00 0.00 C ATOM 951 CD1 LEU A 57 0.843 3.569 2.803 1.00 0.00 C ATOM 952 CD2 LEU A 57 -0.492 1.454 2.763 1.00 0.00 C ATOM 0 H LEU A 57 -1.176 2.979 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.606 1.798 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.222 4.498 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.864 3.877 2.776 1.00 0.00 H new ATOM 0 HG LEU A 57 0.241 2.500 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.749 2.981 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.084 4.479 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.424 3.832 3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.424 0.879 2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.920 1.691 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.207 0.867 2.186 1.00 0.00 H new ATOM 964 N GLU A 58 -3.994 4.382 0.098 1.00 0.00 N ATOM 965 CA GLU A 58 -5.174 5.224 0.101 1.00 0.00 C ATOM 966 C GLU A 58 -6.438 4.375 0.140 1.00 0.00 C ATOM 967 O GLU A 58 -7.341 4.626 0.950 1.00 0.00 O ATOM 968 CB GLU A 58 -5.177 6.147 -1.120 1.00 0.00 C ATOM 969 CG GLU A 58 -3.932 7.053 -1.083 1.00 0.00 C ATOM 970 CD GLU A 58 -2.775 6.395 -1.813 1.00 0.00 C ATOM 971 OE1 GLU A 58 -2.142 5.532 -1.239 1.00 0.00 O ATOM 972 OE2 GLU A 58 -2.540 6.758 -2.942 1.00 0.00 O ATOM 0 H GLU A 58 -3.344 4.557 -0.668 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.153 5.844 0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.182 5.556 -2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.082 6.755 -1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.161 8.014 -1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.651 7.253 -0.049 1.00 0.00 H new ATOM 979 N ASP A 59 -6.461 3.305 -0.637 1.00 0.00 N ATOM 980 CA ASP A 59 -7.568 2.361 -0.563 1.00 0.00 C ATOM 981 C ASP A 59 -7.599 1.706 0.805 1.00 0.00 C ATOM 982 O ASP A 59 -8.665 1.457 1.375 1.00 0.00 O ATOM 983 CB ASP A 59 -7.443 1.282 -1.632 1.00 0.00 C ATOM 984 CG ASP A 59 -8.582 0.309 -1.471 1.00 0.00 C ATOM 985 OD1 ASP A 59 -9.711 0.728 -1.610 1.00 0.00 O ATOM 986 OD2 ASP A 59 -8.320 -0.836 -1.190 1.00 0.00 O ATOM 0 H ASP A 59 -5.739 3.069 -1.317 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.492 2.914 -0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.466 1.730 -2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.488 0.765 -1.537 1.00 0.00 H new ATOM 991 N ILE A 60 -6.422 1.383 1.299 1.00 0.00 N ATOM 992 CA ILE A 60 -6.266 0.737 2.591 1.00 0.00 C ATOM 993 C ILE A 60 -6.752 1.665 3.704 1.00 0.00 C ATOM 994 O ILE A 60 -7.422 1.228 4.640 1.00 0.00 O ATOM 995 CB ILE A 60 -4.781 0.366 2.798 1.00 0.00 C ATOM 996 CG1 ILE A 60 -4.366 -0.702 1.771 1.00 0.00 C ATOM 997 CG2 ILE A 60 -4.536 -0.165 4.213 1.00 0.00 C ATOM 998 CD1 ILE A 60 -5.219 -1.964 1.926 1.00 0.00 C ATOM 0 H ILE A 60 -5.541 1.561 0.816 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.867 -0.172 2.621 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.183 1.267 2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.476 -0.305 0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.313 -0.951 1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.482 -0.418 4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.808 0.599 4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.143 -1.055 4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.909 -2.706 1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.088 -2.371 2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.269 -1.715 1.770 1.00 0.00 H new ATOM 1010 N PHE A 61 -6.379 2.928 3.603 1.00 0.00 N ATOM 1011 CA PHE A 61 -6.673 3.923 4.636 1.00 0.00 C ATOM 1012 C PHE A 61 -8.103 3.815 5.133 1.00 0.00 C ATOM 1013 O PHE A 61 -9.066 4.006 4.370 1.00 0.00 O ATOM 1014 CB PHE A 61 -6.432 5.339 4.075 1.00 0.00 C ATOM 1015 CG PHE A 61 -6.878 6.403 5.067 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -6.090 6.708 6.182 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -8.078 7.091 4.856 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -6.503 7.699 7.084 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -8.489 8.080 5.758 1.00 0.00 C ATOM 1020 CZ PHE A 61 -7.702 8.384 6.871 1.00 0.00 C ATOM 0 H PHE A 61 -5.863 3.300 2.805 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.008 3.733 5.479 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.374 5.469 3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.976 5.460 3.138 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.163 6.180 6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.688 6.859 3.996 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.894 7.933 7.944 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.416 8.609 5.593 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.020 9.147 7.566 1.00 0.00 H new