USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 488 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+ -177:sc= 0.463! (180deg=0) USER MOD Set 1.2: A 55 THR OG1 : rot 85:sc= 2.26 USER MOD Set 2.1: A 17 GLN : amide:sc= -3.6! C(o=-3.6!,f=-16!) USER MOD Set 2.2: A 32 ASN : amide:sc= 0 X(o=-3.6,f=-3.7) USER MOD Single : A 5 ASN : amide:sc= -4.99! C(o=-5!,f=-15!) USER MOD Single : A 7 LYS NZ :NH3+ -108:sc= 0.465 (180deg=-7.44!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 0.818 (180deg=0.582) USER MOD Single : A 16 SER OG : rot 153:sc= 0.895 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 92:sc= 0.104 USER MOD Single : A 29 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.3) USER MOD Single : A 30 THR OG1 : rot 19:sc= 0.391 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.624 K(o=-0.62,f=-3.2!) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.009 (180deg=-0.225) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -1.04 F(o=-3.6!,f=-1) USER MOD Single : A 42 SER OG : rot 111:sc= 1.05 USER MOD Single : A 44 GLN : amide:sc= -3.1 K(o=-3.1,f=-21!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -96:sc= 1.15 USER MOD Single : A 54 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 4.290 4.952 -3.906 1.00 0.00 N ATOM 71 CA ASN A 5 3.553 4.903 -2.646 1.00 0.00 C ATOM 72 C ASN A 5 3.183 3.466 -2.321 1.00 0.00 C ATOM 73 O ASN A 5 2.926 2.674 -3.221 1.00 0.00 O ATOM 74 CB ASN A 5 2.289 5.763 -2.740 1.00 0.00 C ATOM 75 CG ASN A 5 1.594 5.870 -1.381 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.374 4.859 -0.711 1.00 0.00 O ATOM 77 ND2 ASN A 5 1.226 7.028 -0.939 1.00 0.00 N ATOM 0 HA ASN A 5 4.185 5.296 -1.850 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.549 6.759 -3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.604 5.330 -3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.755 7.104 -0.038 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.407 7.866 -1.492 1.00 0.00 H new ATOM 84 N LEU A 6 3.112 3.147 -1.044 1.00 0.00 N ATOM 85 CA LEU A 6 2.821 1.787 -0.601 1.00 0.00 C ATOM 86 C LEU A 6 1.527 1.300 -1.234 1.00 0.00 C ATOM 87 O LEU A 6 1.452 0.179 -1.746 1.00 0.00 O ATOM 88 CB LEU A 6 2.693 1.766 0.942 1.00 0.00 C ATOM 89 CG LEU A 6 2.511 0.327 1.481 1.00 0.00 C ATOM 90 CD1 LEU A 6 1.065 -0.151 1.268 1.00 0.00 C ATOM 91 CD2 LEU A 6 3.488 -0.630 0.785 1.00 0.00 C ATOM 0 H LEU A 6 3.252 3.814 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 6 3.632 1.126 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.583 2.212 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.844 2.378 1.245 1.00 0.00 H new ATOM 0 HG LEU A 6 2.723 0.332 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.956 -1.165 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.381 0.513 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.831 -0.141 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.349 -1.639 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.299 -0.626 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.511 -0.306 0.974 1.00 0.00 H new ATOM 103 N LYS A 7 0.536 2.163 -1.272 1.00 0.00 N ATOM 104 CA LYS A 7 -0.725 1.815 -1.904 1.00 0.00 C ATOM 105 C LYS A 7 -0.510 1.532 -3.382 1.00 0.00 C ATOM 106 O LYS A 7 -1.058 0.574 -3.925 1.00 0.00 O ATOM 107 CB LYS A 7 -1.761 2.926 -1.693 1.00 0.00 C ATOM 108 CG LYS A 7 -1.352 4.201 -2.458 1.00 0.00 C ATOM 109 CD LYS A 7 -2.319 5.343 -2.112 1.00 0.00 C ATOM 110 CE LYS A 7 -1.989 5.892 -0.712 1.00 0.00 C ATOM 111 NZ LYS A 7 -2.903 7.010 -0.372 1.00 0.00 N ATOM 0 H LYS A 7 0.574 3.103 -0.878 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.114 0.909 -1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.739 2.588 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.854 3.147 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.332 4.483 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.365 4.013 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.239 6.138 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.348 4.983 -2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.082 5.098 0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.955 6.236 -0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.380 7.908 -0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.684 7.041 -1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.287 6.866 0.584 1.00 0.00 H new ATOM 125 N LEU A 8 0.361 2.324 -3.994 1.00 0.00 N ATOM 126 CA LEU A 8 0.719 2.157 -5.395 1.00 0.00 C ATOM 127 C LEU A 8 1.425 0.829 -5.641 1.00 0.00 C ATOM 128 O LEU A 8 1.305 0.248 -6.718 1.00 0.00 O ATOM 129 CB LEU A 8 1.568 3.331 -5.902 1.00 0.00 C ATOM 130 CG LEU A 8 0.723 4.615 -5.913 1.00 0.00 C ATOM 131 CD1 LEU A 8 1.607 5.809 -6.273 1.00 0.00 C ATOM 132 CD2 LEU A 8 -0.402 4.490 -6.952 1.00 0.00 C ATOM 0 H LEU A 8 0.838 3.099 -3.533 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.211 2.147 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.441 3.464 -5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.937 3.119 -6.905 1.00 0.00 H new ATOM 0 HG LEU A 8 0.290 4.763 -4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.006 6.718 -6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.404 5.907 -5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.043 5.655 -7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.997 5.403 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.031 4.336 -7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.039 3.642 -6.699 1.00 0.00 H new ATOM 144 N ILE A 9 2.192 0.372 -4.660 1.00 0.00 N ATOM 145 CA ILE A 9 2.948 -0.871 -4.797 1.00 0.00 C ATOM 146 C ILE A 9 1.989 -2.033 -5.045 1.00 0.00 C ATOM 147 O ILE A 9 2.271 -2.931 -5.845 1.00 0.00 O ATOM 148 CB ILE A 9 3.809 -1.147 -3.542 1.00 0.00 C ATOM 149 CG1 ILE A 9 4.698 0.063 -3.231 1.00 0.00 C ATOM 150 CG2 ILE A 9 4.711 -2.357 -3.796 1.00 0.00 C ATOM 151 CD1 ILE A 9 5.626 0.361 -4.414 1.00 0.00 C ATOM 0 H ILE A 9 2.309 0.841 -3.762 1.00 0.00 H new ATOM 0 HA ILE A 9 3.622 -0.769 -5.647 1.00 0.00 H new ATOM 0 HB ILE A 9 3.143 -1.339 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.077 0.934 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.289 -0.132 -2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.317 -2.551 -2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.096 -3.230 -4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.363 -2.153 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.251 1.222 -4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.259 -0.505 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.029 0.578 -5.300 1.00 0.00 H new ATOM 163 N ARG A 10 0.874 -2.018 -4.341 1.00 0.00 N ATOM 164 CA ARG A 10 -0.126 -3.080 -4.443 1.00 0.00 C ATOM 165 C ARG A 10 -0.519 -3.224 -5.907 1.00 0.00 C ATOM 166 O ARG A 10 -0.690 -4.333 -6.424 1.00 0.00 O ATOM 167 CB ARG A 10 -1.381 -2.617 -3.715 1.00 0.00 C ATOM 168 CG ARG A 10 -1.068 -2.280 -2.255 1.00 0.00 C ATOM 169 CD ARG A 10 -2.319 -1.650 -1.647 1.00 0.00 C ATOM 170 NE ARG A 10 -2.722 -0.520 -2.491 1.00 0.00 N ATOM 171 CZ ARG A 10 -3.875 0.127 -2.340 1.00 0.00 C ATOM 172 NH1 ARG A 10 -4.601 -0.064 -1.266 1.00 0.00 N ATOM 173 NH2 ARG A 10 -4.273 0.960 -3.264 1.00 0.00 N ATOM 0 H ARG A 10 0.630 -1.277 -3.684 1.00 0.00 H new ATOM 0 HA ARG A 10 0.269 -4.009 -4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.795 -1.741 -4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.141 -3.397 -3.758 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.787 -3.179 -1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.225 -1.592 -2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.123 -2.384 -1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.118 -1.312 -0.630 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.088 -0.215 -3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.283 -0.710 -0.543 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.484 0.433 -1.153 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.701 1.111 -4.095 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.156 1.459 -3.155 1.00 0.00 H new ATOM 187 N GLU A 11 -0.715 -2.083 -6.547 1.00 0.00 N ATOM 188 CA GLU A 11 -1.169 -2.034 -7.925 1.00 0.00 C ATOM 189 C GLU A 11 -0.153 -2.711 -8.825 1.00 0.00 C ATOM 190 O GLU A 11 -0.489 -3.618 -9.598 1.00 0.00 O ATOM 191 CB GLU A 11 -1.345 -0.575 -8.385 1.00 0.00 C ATOM 192 CG GLU A 11 -1.700 0.353 -7.191 1.00 0.00 C ATOM 193 CD GLU A 11 -3.047 0.009 -6.590 1.00 0.00 C ATOM 194 OE1 GLU A 11 -3.798 -0.693 -7.231 1.00 0.00 O ATOM 195 OE2 GLU A 11 -3.321 0.467 -5.498 1.00 0.00 O ATOM 0 H GLU A 11 -0.564 -1.166 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.127 -2.550 -7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.427 -0.227 -8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.132 -0.521 -9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.929 0.270 -6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.706 1.390 -7.526 1.00 0.00 H new ATOM 202 N LYS A 12 1.096 -2.299 -8.685 1.00 0.00 N ATOM 203 CA LYS A 12 2.193 -2.886 -9.452 1.00 0.00 C ATOM 204 C LYS A 12 2.412 -4.332 -9.054 1.00 0.00 C ATOM 205 O LYS A 12 2.912 -5.136 -9.847 1.00 0.00 O ATOM 206 CB LYS A 12 3.506 -2.075 -9.333 1.00 0.00 C ATOM 207 CG LYS A 12 3.537 -1.235 -8.043 1.00 0.00 C ATOM 208 CD LYS A 12 3.863 0.235 -8.371 1.00 0.00 C ATOM 209 CE LYS A 12 2.768 0.841 -9.275 1.00 0.00 C ATOM 210 NZ LYS A 12 3.138 2.228 -9.657 1.00 0.00 N ATOM 0 H LYS A 12 1.381 -1.557 -8.045 1.00 0.00 H new ATOM 0 HA LYS A 12 1.899 -2.851 -10.501 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.357 -2.756 -9.346 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.609 -1.419 -10.198 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.573 -1.297 -7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.283 -1.636 -7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.942 0.811 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.830 0.297 -8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.642 0.230 -10.169 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.812 0.841 -8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.397 2.630 -10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.236 2.810 -8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.041 2.217 -10.173 1.00 0.00 H new ATOM 224 N LYS A 13 2.014 -4.670 -7.829 1.00 0.00 N ATOM 225 CA LYS A 13 2.116 -6.039 -7.356 1.00 0.00 C ATOM 226 C LYS A 13 0.826 -6.805 -7.562 1.00 0.00 C ATOM 227 O LYS A 13 0.674 -7.910 -7.051 1.00 0.00 O ATOM 228 CB LYS A 13 2.605 -6.136 -5.906 1.00 0.00 C ATOM 229 CG LYS A 13 3.606 -7.298 -5.834 1.00 0.00 C ATOM 230 CD LYS A 13 4.291 -7.351 -4.469 1.00 0.00 C ATOM 231 CE LYS A 13 5.749 -7.815 -4.654 1.00 0.00 C ATOM 232 NZ LYS A 13 6.650 -6.630 -4.671 1.00 0.00 N ATOM 0 H LYS A 13 1.621 -4.015 -7.153 1.00 0.00 H new ATOM 0 HA LYS A 13 2.881 -6.513 -7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.077 -5.203 -5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.768 -6.309 -5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.089 -8.239 -6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.356 -7.185 -6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.266 -6.369 -3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.760 -8.036 -3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.033 -8.489 -3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.848 -8.374 -5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.627 -6.939 -4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.352 -5.978 -5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.601 -6.143 -3.753 1.00 0.00 H new ATOM 246 N LYS A 14 -0.063 -6.244 -8.378 1.00 0.00 N ATOM 247 CA LYS A 14 -1.308 -6.913 -8.779 1.00 0.00 C ATOM 248 C LYS A 14 -1.960 -7.668 -7.622 1.00 0.00 C ATOM 249 O LYS A 14 -2.368 -8.831 -7.767 1.00 0.00 O ATOM 250 CB LYS A 14 -1.083 -7.857 -9.990 1.00 0.00 C ATOM 251 CG LYS A 14 0.323 -8.506 -9.943 1.00 0.00 C ATOM 252 CD LYS A 14 1.372 -7.542 -10.507 1.00 0.00 C ATOM 253 CE LYS A 14 2.773 -8.158 -10.365 1.00 0.00 C ATOM 254 NZ LYS A 14 3.794 -7.188 -10.842 1.00 0.00 N ATOM 0 H LYS A 14 0.055 -5.315 -8.782 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.997 -6.125 -9.083 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.846 -8.636 -9.994 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.196 -7.296 -10.918 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.576 -8.769 -8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.323 -9.432 -10.518 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.161 -7.333 -11.556 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.327 -6.591 -9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.963 -8.419 -9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.836 -9.081 -10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.745 -7.571 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.668 -7.025 -11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.684 -6.289 -10.331 1.00 0.00 H new ATOM 268 N ILE A 15 -2.052 -7.016 -6.482 1.00 0.00 N ATOM 269 CA ILE A 15 -2.658 -7.617 -5.305 1.00 0.00 C ATOM 270 C ILE A 15 -3.859 -6.805 -4.836 1.00 0.00 C ATOM 271 O ILE A 15 -3.806 -5.571 -4.785 1.00 0.00 O ATOM 272 CB ILE A 15 -1.606 -7.771 -4.201 1.00 0.00 C ATOM 273 CG1 ILE A 15 -0.945 -6.417 -3.913 1.00 0.00 C ATOM 274 CG2 ILE A 15 -0.529 -8.770 -4.653 1.00 0.00 C ATOM 275 CD1 ILE A 15 0.026 -6.571 -2.752 1.00 0.00 C ATOM 0 H ILE A 15 -1.714 -6.064 -6.342 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.028 -8.610 -5.562 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.093 -8.135 -3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.418 -6.060 -4.798 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.704 -5.672 -3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.219 -8.879 -3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.990 -9.737 -4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.050 -8.403 -5.561 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.499 -5.611 -2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.515 -6.909 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.791 -7.303 -3.012 1.00 0.00 H new ATOM 287 N SER A 16 -4.981 -7.483 -4.642 1.00 0.00 N ATOM 288 CA SER A 16 -6.236 -6.811 -4.334 1.00 0.00 C ATOM 289 C SER A 16 -6.151 -6.116 -2.977 1.00 0.00 C ATOM 290 O SER A 16 -5.682 -6.701 -2.005 1.00 0.00 O ATOM 291 CB SER A 16 -7.359 -7.850 -4.294 1.00 0.00 C ATOM 292 OG SER A 16 -7.176 -8.799 -5.352 1.00 0.00 O ATOM 0 H SER A 16 -5.048 -8.500 -4.692 1.00 0.00 H new ATOM 0 HA SER A 16 -6.436 -6.063 -5.102 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.361 -8.360 -3.331 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.326 -7.358 -4.397 1.00 0.00 H new ATOM 0 HG SER A 16 -7.583 -9.654 -5.099 1.00 0.00 H new ATOM 298 N GLN A 17 -6.698 -4.913 -2.885 1.00 0.00 N ATOM 299 CA GLN A 17 -6.708 -4.193 -1.617 1.00 0.00 C ATOM 300 C GLN A 17 -7.534 -4.955 -0.598 1.00 0.00 C ATOM 301 O GLN A 17 -7.164 -5.055 0.577 1.00 0.00 O ATOM 302 CB GLN A 17 -7.286 -2.789 -1.787 1.00 0.00 C ATOM 303 CG GLN A 17 -6.409 -1.971 -2.731 1.00 0.00 C ATOM 304 CD GLN A 17 -6.915 -0.538 -2.794 1.00 0.00 C ATOM 305 OE1 GLN A 17 -6.913 0.160 -1.767 1.00 0.00 O ATOM 306 NE2 GLN A 17 -7.368 -0.055 -3.908 1.00 0.00 N ATOM 0 H GLN A 17 -7.136 -4.418 -3.662 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.678 -4.106 -1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.300 -2.850 -2.182 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.351 -2.294 -0.818 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.375 -1.986 -2.386 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.419 -2.414 -3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.369 -0.630 -4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.724 0.900 -3.942 1.00 0.00 H new ATOM 315 N SER A 18 -8.645 -5.509 -1.067 1.00 0.00 N ATOM 316 CA SER A 18 -9.537 -6.267 -0.206 1.00 0.00 C ATOM 317 C SER A 18 -8.779 -7.414 0.441 1.00 0.00 C ATOM 318 O SER A 18 -8.898 -7.651 1.644 1.00 0.00 O ATOM 319 CB SER A 18 -10.719 -6.816 -1.015 1.00 0.00 C ATOM 320 OG SER A 18 -11.362 -5.748 -1.729 1.00 0.00 O ATOM 0 H SER A 18 -8.948 -5.446 -2.039 1.00 0.00 H new ATOM 0 HA SER A 18 -9.920 -5.605 0.571 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.370 -7.575 -1.715 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.433 -7.301 -0.349 1.00 0.00 H new ATOM 0 HG SER A 18 -12.115 -6.106 -2.245 1.00 0.00 H new ATOM 326 N GLU A 19 -7.945 -8.075 -0.348 1.00 0.00 N ATOM 327 CA GLU A 19 -7.142 -9.179 0.147 1.00 0.00 C ATOM 328 C GLU A 19 -6.179 -8.667 1.198 1.00 0.00 C ATOM 329 O GLU A 19 -6.041 -9.249 2.267 1.00 0.00 O ATOM 330 CB GLU A 19 -6.353 -9.784 -1.015 1.00 0.00 C ATOM 331 CG GLU A 19 -7.325 -10.435 -2.007 1.00 0.00 C ATOM 332 CD GLU A 19 -6.603 -10.853 -3.275 1.00 0.00 C ATOM 333 OE1 GLU A 19 -5.391 -10.919 -3.262 1.00 0.00 O ATOM 334 OE2 GLU A 19 -7.276 -11.102 -4.254 1.00 0.00 O ATOM 0 H GLU A 19 -7.808 -7.864 -1.336 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.789 -9.938 0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.770 -9.010 -1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.646 -10.525 -0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.793 -11.305 -1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.124 -9.735 -2.252 1.00 0.00 H new ATOM 341 N LEU A 20 -5.550 -7.538 0.902 1.00 0.00 N ATOM 342 CA LEU A 20 -4.624 -6.930 1.838 1.00 0.00 C ATOM 343 C LEU A 20 -5.343 -6.538 3.117 1.00 0.00 C ATOM 344 O LEU A 20 -4.879 -6.833 4.211 1.00 0.00 O ATOM 345 CB LEU A 20 -3.941 -5.703 1.211 1.00 0.00 C ATOM 346 CG LEU A 20 -2.703 -6.126 0.388 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.103 -7.042 -0.772 1.00 0.00 C ATOM 348 CD2 LEU A 20 -2.018 -4.878 -0.177 1.00 0.00 C ATOM 0 H LEU A 20 -5.665 -7.029 0.025 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.855 -7.663 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.647 -5.176 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.642 -5.007 1.995 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.023 -6.668 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.214 -7.325 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.584 -7.938 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.796 -6.516 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.144 -5.174 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.715 -4.339 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.706 -4.231 0.643 1.00 0.00 H new ATOM 360 N ALA A 21 -6.516 -5.939 2.984 1.00 0.00 N ATOM 361 CA ALA A 21 -7.301 -5.588 4.159 1.00 0.00 C ATOM 362 C ALA A 21 -7.771 -6.837 4.875 1.00 0.00 C ATOM 363 O ALA A 21 -7.805 -6.886 6.113 1.00 0.00 O ATOM 364 CB ALA A 21 -8.479 -4.691 3.801 1.00 0.00 C ATOM 0 H ALA A 21 -6.941 -5.689 2.091 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.656 -5.023 4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.041 -4.451 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.111 -3.771 3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.129 -5.209 3.096 1.00 0.00 H new ATOM 370 N ALA A 22 -8.112 -7.854 4.096 1.00 0.00 N ATOM 371 CA ALA A 22 -8.556 -9.125 4.649 1.00 0.00 C ATOM 372 C ALA A 22 -7.492 -9.706 5.558 1.00 0.00 C ATOM 373 O ALA A 22 -7.789 -10.505 6.448 1.00 0.00 O ATOM 374 CB ALA A 22 -8.883 -10.116 3.533 1.00 0.00 C ATOM 0 H ALA A 22 -8.089 -7.823 3.077 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.460 -8.944 5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.213 -11.059 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.676 -9.709 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.994 -10.288 2.927 1.00 0.00 H new ATOM 380 N LEU A 23 -6.247 -9.327 5.321 1.00 0.00 N ATOM 381 CA LEU A 23 -5.158 -9.821 6.141 1.00 0.00 C ATOM 382 C LEU A 23 -5.340 -9.365 7.568 1.00 0.00 C ATOM 383 O LEU A 23 -5.009 -10.096 8.506 1.00 0.00 O ATOM 384 CB LEU A 23 -3.813 -9.303 5.635 1.00 0.00 C ATOM 385 CG LEU A 23 -3.496 -9.908 4.271 1.00 0.00 C ATOM 386 CD1 LEU A 23 -2.239 -9.256 3.707 1.00 0.00 C ATOM 387 CD2 LEU A 23 -3.268 -11.415 4.414 1.00 0.00 C ATOM 0 H LEU A 23 -5.969 -8.687 4.577 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.168 -10.910 6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.838 -8.216 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.026 -9.557 6.346 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.333 -9.733 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.011 -9.687 2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.402 -8.184 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.403 -9.430 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.042 -11.843 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.433 -11.594 5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.167 -11.882 4.816 1.00 0.00 H new ATOM 399 N LEU A 24 -5.761 -8.114 7.734 1.00 0.00 N ATOM 400 CA LEU A 24 -5.864 -7.551 9.067 1.00 0.00 C ATOM 401 C LEU A 24 -7.259 -7.722 9.636 1.00 0.00 C ATOM 402 O LEU A 24 -7.427 -7.763 10.847 1.00 0.00 O ATOM 403 CB LEU A 24 -5.541 -6.047 9.060 1.00 0.00 C ATOM 404 CG LEU A 24 -4.333 -5.727 8.167 1.00 0.00 C ATOM 405 CD1 LEU A 24 -3.856 -4.308 8.460 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.189 -6.709 8.416 1.00 0.00 C ATOM 0 H LEU A 24 -6.030 -7.486 6.977 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.144 -8.088 9.685 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.410 -5.490 8.709 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.339 -5.714 10.078 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.639 -5.815 7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.998 -4.075 7.829 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.661 -3.603 8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.567 -4.230 9.508 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.347 -6.458 7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.877 -6.648 9.459 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.525 -7.722 8.197 1.00 0.00 H new ATOM 418 N GLU A 25 -8.270 -7.736 8.773 1.00 0.00 N ATOM 419 CA GLU A 25 -9.653 -7.755 9.250 1.00 0.00 C ATOM 420 C GLU A 25 -9.841 -6.754 10.390 1.00 0.00 C ATOM 421 O GLU A 25 -10.556 -7.019 11.368 1.00 0.00 O ATOM 422 CB GLU A 25 -10.087 -9.164 9.667 1.00 0.00 C ATOM 423 CG GLU A 25 -10.324 -10.007 8.412 1.00 0.00 C ATOM 424 CD GLU A 25 -11.525 -9.467 7.652 1.00 0.00 C ATOM 425 OE1 GLU A 25 -12.590 -9.419 8.229 1.00 0.00 O ATOM 426 OE2 GLU A 25 -11.366 -9.083 6.522 1.00 0.00 O ATOM 0 H GLU A 25 -8.165 -7.735 7.758 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.297 -7.454 8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.320 -9.625 10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.997 -9.116 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.439 -9.986 7.776 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.494 -11.048 8.688 1.00 0.00 H new ATOM 433 N VAL A 26 -9.207 -5.601 10.238 1.00 0.00 N ATOM 434 CA VAL A 26 -9.302 -4.508 11.195 1.00 0.00 C ATOM 435 C VAL A 26 -9.814 -3.251 10.503 1.00 0.00 C ATOM 436 O VAL A 26 -10.177 -3.284 9.315 1.00 0.00 O ATOM 437 CB VAL A 26 -7.946 -4.235 11.888 1.00 0.00 C ATOM 438 CG1 VAL A 26 -7.352 -5.532 12.443 1.00 0.00 C ATOM 439 CG2 VAL A 26 -6.957 -3.596 10.898 1.00 0.00 C ATOM 0 H VAL A 26 -8.606 -5.395 9.440 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.010 -4.801 11.970 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.121 -3.546 12.714 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.399 -5.318 12.926 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.039 -5.965 13.171 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.195 -6.238 11.628 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.008 -3.410 11.401 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.796 -4.271 10.057 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.365 -2.653 10.533 1.00 0.00 H new ATOM 449 N SER A 27 -9.822 -2.151 11.233 1.00 0.00 N ATOM 450 CA SER A 27 -10.303 -0.875 10.728 1.00 0.00 C ATOM 451 C SER A 27 -9.765 -0.553 9.327 1.00 0.00 C ATOM 452 O SER A 27 -10.314 0.318 8.640 1.00 0.00 O ATOM 453 CB SER A 27 -9.963 0.243 11.708 1.00 0.00 C ATOM 454 OG SER A 27 -9.944 -0.296 13.031 1.00 0.00 O ATOM 0 H SER A 27 -9.494 -2.116 12.198 1.00 0.00 H new ATOM 0 HA SER A 27 -11.386 -0.953 10.636 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.994 0.678 11.463 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.699 1.044 11.637 1.00 0.00 H new ATOM 0 HG SER A 27 -9.034 -0.585 13.254 1.00 0.00 H new ATOM 460 N ARG A 28 -8.741 -1.286 8.860 1.00 0.00 N ATOM 461 CA ARG A 28 -8.243 -1.052 7.506 1.00 0.00 C ATOM 462 C ARG A 28 -9.368 -1.097 6.513 1.00 0.00 C ATOM 463 O ARG A 28 -9.419 -0.283 5.605 1.00 0.00 O ATOM 464 CB ARG A 28 -7.148 -2.032 7.055 1.00 0.00 C ATOM 465 CG ARG A 28 -5.768 -1.416 7.280 1.00 0.00 C ATOM 466 CD ARG A 28 -4.754 -2.069 6.318 1.00 0.00 C ATOM 467 NE ARG A 28 -3.439 -1.460 6.483 1.00 0.00 N ATOM 468 CZ ARG A 28 -3.222 -0.185 6.127 1.00 0.00 C ATOM 469 NH1 ARG A 28 -4.175 0.497 5.566 1.00 0.00 N ATOM 470 NH2 ARG A 28 -2.056 0.373 6.313 1.00 0.00 N ATOM 0 H ARG A 28 -8.260 -2.019 9.382 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.791 -0.061 7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.233 -2.966 7.611 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.279 -2.276 6.001 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.806 -0.340 7.111 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.455 -1.566 8.313 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.694 -3.140 6.513 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.091 -1.951 5.288 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.675 -2.011 6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.083 0.063 5.398 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.016 1.467 5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.296 -0.162 6.734 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.905 1.343 6.037 1.00 0.00 H new ATOM 484 N GLN A 29 -10.308 -1.995 6.726 1.00 0.00 N ATOM 485 CA GLN A 29 -11.443 -2.073 5.828 1.00 0.00 C ATOM 486 C GLN A 29 -12.044 -0.677 5.679 1.00 0.00 C ATOM 487 O GLN A 29 -12.372 -0.246 4.579 1.00 0.00 O ATOM 488 CB GLN A 29 -12.502 -3.031 6.393 1.00 0.00 C ATOM 489 CG GLN A 29 -11.943 -4.462 6.504 1.00 0.00 C ATOM 490 CD GLN A 29 -11.628 -5.047 5.125 1.00 0.00 C ATOM 491 OE1 GLN A 29 -12.075 -4.519 4.099 1.00 0.00 O ATOM 492 NE2 GLN A 29 -10.895 -6.111 5.033 1.00 0.00 N ATOM 0 H GLN A 29 -10.312 -2.667 7.494 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.116 -2.448 4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.825 -2.685 7.375 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.381 -3.028 5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.039 -4.455 7.113 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.666 -5.098 7.014 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.524 -6.549 5.876 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.688 -6.510 4.117 1.00 0.00 H new ATOM 501 N THR A 30 -12.083 0.057 6.782 1.00 0.00 N ATOM 502 CA THR A 30 -12.541 1.429 6.760 1.00 0.00 C ATOM 503 C THR A 30 -11.407 2.422 6.412 1.00 0.00 C ATOM 504 O THR A 30 -11.573 3.283 5.546 1.00 0.00 O ATOM 505 CB THR A 30 -13.202 1.790 8.099 1.00 0.00 C ATOM 506 OG1 THR A 30 -12.377 1.360 9.182 1.00 0.00 O ATOM 507 CG2 THR A 30 -14.557 1.088 8.203 1.00 0.00 C ATOM 0 H THR A 30 -11.801 -0.280 7.703 1.00 0.00 H new ATOM 0 HA THR A 30 -13.283 1.515 5.967 1.00 0.00 H new ATOM 0 HB THR A 30 -13.335 2.871 8.148 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.462 1.218 8.860 1.00 0.00 H new ATOM 0 HG21 THR A 30 -15.027 1.343 9.153 1.00 0.00 H new ATOM 0 HG22 THR A 30 -15.198 1.411 7.383 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.413 0.009 8.148 1.00 0.00 H new ATOM 515 N ILE A 31 -10.297 2.358 7.149 1.00 0.00 N ATOM 516 CA ILE A 31 -9.237 3.361 6.989 1.00 0.00 C ATOM 517 C ILE A 31 -8.348 3.123 5.770 1.00 0.00 C ATOM 518 O ILE A 31 -7.718 4.051 5.285 1.00 0.00 O ATOM 519 CB ILE A 31 -8.373 3.493 8.257 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.674 2.166 8.570 1.00 0.00 C ATOM 521 CG2 ILE A 31 -9.252 3.899 9.442 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.665 2.366 9.703 1.00 0.00 C ATOM 0 H ILE A 31 -10.108 1.640 7.848 1.00 0.00 H new ATOM 0 HA ILE A 31 -9.762 4.301 6.821 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.616 4.258 8.084 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.411 1.415 8.855 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.166 1.793 7.680 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.636 3.991 10.337 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.730 4.856 9.230 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -10.017 3.140 9.604 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.171 1.419 9.922 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.921 3.103 9.401 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.184 2.719 10.594 1.00 0.00 H new ATOM 534 N ASN A 32 -8.327 1.909 5.240 1.00 0.00 N ATOM 535 CA ASN A 32 -7.495 1.647 4.061 1.00 0.00 C ATOM 536 C ASN A 32 -7.961 2.514 2.919 1.00 0.00 C ATOM 537 O ASN A 32 -7.158 3.145 2.231 1.00 0.00 O ATOM 538 CB ASN A 32 -7.555 0.182 3.646 1.00 0.00 C ATOM 539 CG ASN A 32 -6.687 -0.049 2.413 1.00 0.00 C ATOM 540 OD1 ASN A 32 -5.485 0.246 2.428 1.00 0.00 O ATOM 541 ND2 ASN A 32 -7.218 -0.549 1.340 1.00 0.00 N ATOM 0 H ASN A 32 -8.855 1.109 5.589 1.00 0.00 H new ATOM 0 HA ASN A 32 -6.461 1.881 4.316 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.213 -0.450 4.465 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.586 -0.102 3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.645 -0.699 0.510 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.208 -0.792 1.327 1.00 0.00 H new ATOM 548 N GLY A 33 -9.268 2.640 2.793 1.00 0.00 N ATOM 549 CA GLY A 33 -9.827 3.536 1.809 1.00 0.00 C ATOM 550 C GLY A 33 -9.376 4.950 2.115 1.00 0.00 C ATOM 551 O GLY A 33 -8.942 5.694 1.225 1.00 0.00 O ATOM 0 H GLY A 33 -9.954 2.137 3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.504 3.246 0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.915 3.477 1.822 1.00 0.00 H new ATOM 555 N ILE A 34 -9.408 5.298 3.389 1.00 0.00 N ATOM 556 CA ILE A 34 -8.942 6.595 3.816 1.00 0.00 C ATOM 557 C ILE A 34 -7.440 6.730 3.543 1.00 0.00 C ATOM 558 O ILE A 34 -7.002 7.732 2.987 1.00 0.00 O ATOM 559 CB ILE A 34 -9.259 6.809 5.312 1.00 0.00 C ATOM 560 CG1 ILE A 34 -10.783 6.858 5.526 1.00 0.00 C ATOM 561 CG2 ILE A 34 -8.654 8.130 5.793 1.00 0.00 C ATOM 562 CD1 ILE A 34 -11.388 8.051 4.769 1.00 0.00 C ATOM 0 H ILE A 34 -9.752 4.699 4.140 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.461 7.367 3.248 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.833 5.980 5.877 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.236 5.930 5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.006 6.942 6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.883 8.272 6.849 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.573 8.106 5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.075 8.954 5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.466 8.074 4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.947 8.977 5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.181 7.949 3.704 1.00 0.00 H new ATOM 574 N GLU A 35 -6.667 5.691 3.872 1.00 0.00 N ATOM 575 CA GLU A 35 -5.221 5.706 3.633 1.00 0.00 C ATOM 576 C GLU A 35 -4.902 5.724 2.145 1.00 0.00 C ATOM 577 O GLU A 35 -3.932 6.353 1.706 1.00 0.00 O ATOM 578 CB GLU A 35 -4.511 4.504 4.292 1.00 0.00 C ATOM 579 CG GLU A 35 -4.519 4.631 5.833 1.00 0.00 C ATOM 580 CD GLU A 35 -3.777 3.455 6.480 1.00 0.00 C ATOM 581 OE1 GLU A 35 -3.196 2.661 5.754 1.00 0.00 O ATOM 582 OE2 GLU A 35 -3.768 3.375 7.686 1.00 0.00 O ATOM 0 H GLU A 35 -7.015 4.834 4.302 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.847 6.622 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.006 3.579 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.483 4.443 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.049 5.570 6.128 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.547 4.662 6.195 1.00 0.00 H new ATOM 589 N LYS A 36 -5.644 4.970 1.367 1.00 0.00 N ATOM 590 CA LYS A 36 -5.333 4.895 -0.040 1.00 0.00 C ATOM 591 C LYS A 36 -5.719 6.194 -0.729 1.00 0.00 C ATOM 592 O LYS A 36 -4.954 6.725 -1.536 1.00 0.00 O ATOM 593 CB LYS A 36 -6.017 3.687 -0.705 1.00 0.00 C ATOM 594 CG LYS A 36 -7.494 3.996 -0.986 1.00 0.00 C ATOM 595 CD LYS A 36 -8.189 2.760 -1.556 1.00 0.00 C ATOM 596 CE LYS A 36 -9.658 3.091 -1.860 1.00 0.00 C ATOM 597 NZ LYS A 36 -10.352 1.873 -2.336 1.00 0.00 N ATOM 0 H LYS A 36 -6.444 4.415 1.673 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.258 4.752 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.507 3.439 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.938 2.814 -0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.989 4.310 -0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.573 4.824 -1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.684 2.432 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.131 1.937 -0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.148 3.475 -0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.716 3.874 -2.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.346 2.098 -2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.890 1.525 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.308 1.139 -1.601 1.00 0.00 H new ATOM 611 N ASN A 37 -6.916 6.681 -0.443 1.00 0.00 N ATOM 612 CA ASN A 37 -7.402 7.889 -1.092 1.00 0.00 C ATOM 613 C ASN A 37 -6.887 9.163 -0.429 1.00 0.00 C ATOM 614 O ASN A 37 -6.522 10.118 -1.115 1.00 0.00 O ATOM 615 CB ASN A 37 -8.938 7.921 -1.050 1.00 0.00 C ATOM 616 CG ASN A 37 -9.542 6.860 -1.960 1.00 0.00 C ATOM 617 OD1 ASN A 37 -8.870 6.340 -2.855 1.00 0.00 O ATOM 618 ND2 ASN A 37 -10.771 6.493 -1.776 1.00 0.00 N ATOM 0 H ASN A 37 -7.563 6.264 0.226 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.032 7.860 -2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.279 7.762 -0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.291 8.906 -1.354 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.183 5.774 -2.371 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.326 6.923 -1.036 1.00 0.00 H new ATOM 625 N LYS A 38 -7.118 9.255 0.871 1.00 0.00 N ATOM 626 CA LYS A 38 -6.959 10.511 1.609 1.00 0.00 C ATOM 627 C LYS A 38 -5.705 10.581 2.487 1.00 0.00 C ATOM 628 O LYS A 38 -5.047 11.625 2.563 1.00 0.00 O ATOM 629 CB LYS A 38 -8.215 10.723 2.462 1.00 0.00 C ATOM 630 CG LYS A 38 -9.410 10.993 1.531 1.00 0.00 C ATOM 631 CD LYS A 38 -10.710 11.024 2.336 1.00 0.00 C ATOM 632 CE LYS A 38 -11.879 11.377 1.412 1.00 0.00 C ATOM 633 NZ LYS A 38 -11.801 12.814 1.031 1.00 0.00 N ATOM 0 H LYS A 38 -7.420 8.469 1.447 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.830 11.304 0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.407 9.843 3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.071 11.562 3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.271 11.943 1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.466 10.219 0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.883 10.055 2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.634 11.757 3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.851 10.752 0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.825 11.175 1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.715 13.119 0.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.576 13.384 1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.057 12.944 0.316 1.00 0.00 H new ATOM 647 N TYR A 39 -5.522 9.563 3.304 1.00 0.00 N ATOM 648 CA TYR A 39 -4.530 9.585 4.376 1.00 0.00 C ATOM 649 C TYR A 39 -3.199 9.022 3.960 1.00 0.00 C ATOM 650 O TYR A 39 -3.086 8.329 2.949 1.00 0.00 O ATOM 651 CB TYR A 39 -5.042 8.798 5.595 1.00 0.00 C ATOM 652 CG TYR A 39 -5.582 9.746 6.642 1.00 0.00 C ATOM 653 CD1 TYR A 39 -6.668 10.574 6.350 1.00 0.00 C ATOM 654 CD2 TYR A 39 -4.988 9.792 7.909 1.00 0.00 C ATOM 655 CE1 TYR A 39 -7.159 11.446 7.323 1.00 0.00 C ATOM 656 CE2 TYR A 39 -5.479 10.663 8.880 1.00 0.00 C ATOM 657 CZ TYR A 39 -6.564 11.491 8.587 1.00 0.00 C ATOM 658 OH TYR A 39 -7.050 12.350 9.544 1.00 0.00 O ATOM 0 H TYR A 39 -6.054 8.694 3.249 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.382 10.635 4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.823 8.103 5.286 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.233 8.201 6.017 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.127 10.540 5.373 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.148 9.152 8.134 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.999 12.086 7.099 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.021 10.697 9.857 1.00 0.00 H new ATOM 0 HH TYR A 39 -6.524 12.255 10.366 1.00 0.00 H new ATOM 668 N ASN A 40 -2.236 9.189 4.848 1.00 0.00 N ATOM 669 CA ASN A 40 -0.953 8.540 4.735 1.00 0.00 C ATOM 670 C ASN A 40 -1.103 7.159 5.327 1.00 0.00 C ATOM 671 O ASN A 40 -1.555 7.027 6.469 1.00 0.00 O ATOM 672 CB ASN A 40 0.099 9.318 5.538 1.00 0.00 C ATOM 673 CG ASN A 40 1.483 8.674 5.413 1.00 0.00 C ATOM 674 OD1 ASN A 40 1.650 7.405 5.661 1.00 0.00 O flip ATOM 675 ND2 ASN A 40 2.453 9.364 5.091 1.00 0.00 N flip ATOM 0 H ASN A 40 -2.328 9.784 5.672 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.635 8.496 3.693 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.141 10.348 5.184 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.194 9.354 6.587 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.330 10.357 4.895 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.379 8.941 5.020 1.00 0.00 H new ATOM 682 N PRO A 41 -0.812 6.127 4.587 1.00 0.00 N ATOM 683 CA PRO A 41 -1.005 4.753 5.121 1.00 0.00 C ATOM 684 C PRO A 41 -0.195 4.532 6.387 1.00 0.00 C ATOM 685 O PRO A 41 0.947 4.984 6.486 1.00 0.00 O ATOM 686 CB PRO A 41 -0.524 3.844 3.990 1.00 0.00 C ATOM 687 CG PRO A 41 -0.740 4.647 2.749 1.00 0.00 C ATOM 688 CD PRO A 41 -0.502 6.108 3.140 1.00 0.00 C ATOM 0 HA PRO A 41 -2.040 4.558 5.402 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.526 3.578 4.113 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.088 2.912 3.963 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.053 4.338 1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.750 4.506 2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.526 6.415 2.945 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.148 6.785 2.581 1.00 0.00 H new ATOM 696 N SER A 42 -0.790 3.854 7.355 1.00 0.00 N ATOM 697 CA SER A 42 -0.118 3.602 8.614 1.00 0.00 C ATOM 698 C SER A 42 0.890 2.473 8.435 1.00 0.00 C ATOM 699 O SER A 42 0.553 1.416 7.879 1.00 0.00 O ATOM 700 CB SER A 42 -1.149 3.246 9.684 1.00 0.00 C ATOM 701 OG SER A 42 -2.306 4.071 9.513 1.00 0.00 O ATOM 0 H SER A 42 -1.733 3.471 7.291 1.00 0.00 H new ATOM 0 HA SER A 42 0.416 4.497 8.934 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.423 2.194 9.607 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.726 3.393 10.678 1.00 0.00 H new ATOM 0 HG SER A 42 -3.059 3.521 9.211 1.00 0.00 H new ATOM 707 N LEU A 43 2.134 2.732 8.814 1.00 0.00 N ATOM 708 CA LEU A 43 3.235 1.801 8.576 1.00 0.00 C ATOM 709 C LEU A 43 3.057 0.481 9.303 1.00 0.00 C ATOM 710 O LEU A 43 3.273 -0.582 8.723 1.00 0.00 O ATOM 711 CB LEU A 43 4.578 2.441 8.946 1.00 0.00 C ATOM 712 CG LEU A 43 4.899 3.572 7.951 1.00 0.00 C ATOM 713 CD1 LEU A 43 6.124 4.344 8.429 1.00 0.00 C ATOM 714 CD2 LEU A 43 5.184 2.980 6.565 1.00 0.00 C ATOM 0 H LEU A 43 2.411 3.589 9.293 1.00 0.00 H new ATOM 0 HA LEU A 43 3.229 1.578 7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.537 2.836 9.961 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.368 1.690 8.927 1.00 0.00 H new ATOM 0 HG LEU A 43 4.044 4.245 7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.349 5.143 7.723 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.924 4.773 9.411 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.977 3.668 8.495 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.410 3.785 5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.036 2.302 6.627 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.309 2.432 6.217 1.00 0.00 H new ATOM 726 N GLN A 44 2.619 0.535 10.549 1.00 0.00 N ATOM 727 CA GLN A 44 2.405 -0.698 11.309 1.00 0.00 C ATOM 728 C GLN A 44 1.376 -1.549 10.591 1.00 0.00 C ATOM 729 O GLN A 44 1.622 -2.718 10.271 1.00 0.00 O ATOM 730 CB GLN A 44 1.930 -0.407 12.755 1.00 0.00 C ATOM 731 CG GLN A 44 1.707 1.098 12.986 1.00 0.00 C ATOM 732 CD GLN A 44 0.397 1.535 12.349 1.00 0.00 C ATOM 733 OE1 GLN A 44 0.208 1.367 11.142 1.00 0.00 O ATOM 734 NE2 GLN A 44 -0.523 2.077 13.077 1.00 0.00 N ATOM 0 H GLN A 44 2.407 1.396 11.053 1.00 0.00 H new ATOM 0 HA GLN A 44 3.355 -1.228 11.376 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.003 -0.947 12.950 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.670 -0.779 13.463 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.690 1.311 14.055 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.535 1.666 12.561 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.367 2.216 14.075 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.405 2.366 12.653 1.00 0.00 H new ATOM 743 N LEU A 45 0.278 -0.916 10.226 1.00 0.00 N ATOM 744 CA LEU A 45 -0.743 -1.566 9.434 1.00 0.00 C ATOM 745 C LEU A 45 -0.163 -1.937 8.081 1.00 0.00 C ATOM 746 O LEU A 45 -0.449 -3.000 7.539 1.00 0.00 O ATOM 747 CB LEU A 45 -1.951 -0.636 9.250 1.00 0.00 C ATOM 748 CG LEU A 45 -2.663 -0.413 10.598 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.745 0.660 10.439 1.00 0.00 C ATOM 750 CD2 LEU A 45 -3.314 -1.723 11.063 1.00 0.00 C ATOM 0 H LEU A 45 0.071 0.053 10.468 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.078 -2.467 9.949 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.624 0.320 8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.646 -1.069 8.531 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.932 -0.087 11.338 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.247 0.815 11.394 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.286 1.594 10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.473 0.335 9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.816 -1.561 12.017 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.041 -2.051 10.321 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.547 -2.488 11.182 1.00 0.00 H new ATOM 762 N ALA A 46 0.632 -1.029 7.522 1.00 0.00 N ATOM 763 CA ALA A 46 1.246 -1.253 6.220 1.00 0.00 C ATOM 764 C ALA A 46 2.175 -2.448 6.262 1.00 0.00 C ATOM 765 O ALA A 46 2.252 -3.201 5.308 1.00 0.00 O ATOM 766 CB ALA A 46 2.025 -0.018 5.748 1.00 0.00 C ATOM 0 H ALA A 46 0.865 -0.133 7.951 1.00 0.00 H new ATOM 0 HA ALA A 46 0.440 -1.448 5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.470 -0.219 4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.347 0.832 5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.812 0.212 6.466 1.00 0.00 H new ATOM 772 N LEU A 47 2.897 -2.601 7.361 1.00 0.00 N ATOM 773 CA LEU A 47 3.848 -3.701 7.496 1.00 0.00 C ATOM 774 C LEU A 47 3.124 -5.033 7.418 1.00 0.00 C ATOM 775 O LEU A 47 3.551 -5.945 6.702 1.00 0.00 O ATOM 776 CB LEU A 47 4.596 -3.600 8.835 1.00 0.00 C ATOM 777 CG LEU A 47 5.584 -4.776 8.979 1.00 0.00 C ATOM 778 CD1 LEU A 47 6.597 -4.766 7.829 1.00 0.00 C ATOM 779 CD2 LEU A 47 6.326 -4.653 10.302 1.00 0.00 C ATOM 0 H LEU A 47 2.846 -1.983 8.170 1.00 0.00 H new ATOM 0 HA LEU A 47 4.568 -3.635 6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.134 -2.654 8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.884 -3.610 9.660 1.00 0.00 H new ATOM 0 HG LEU A 47 5.025 -5.711 8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.287 -5.602 7.945 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.070 -4.859 6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.155 -3.830 7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.025 -5.483 10.406 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.875 -3.712 10.325 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.610 -4.676 11.124 1.00 0.00 H new ATOM 791 N LYS A 48 2.008 -5.131 8.112 1.00 0.00 N ATOM 792 CA LYS A 48 1.214 -6.343 8.073 1.00 0.00 C ATOM 793 C LYS A 48 0.716 -6.564 6.657 1.00 0.00 C ATOM 794 O LYS A 48 0.808 -7.665 6.111 1.00 0.00 O ATOM 795 CB LYS A 48 0.029 -6.220 9.026 1.00 0.00 C ATOM 796 CG LYS A 48 0.536 -6.195 10.470 1.00 0.00 C ATOM 797 CD LYS A 48 -0.647 -6.050 11.432 1.00 0.00 C ATOM 798 CE LYS A 48 -0.133 -6.035 12.876 1.00 0.00 C ATOM 799 NZ LYS A 48 -1.270 -5.842 13.803 1.00 0.00 N ATOM 0 H LYS A 48 1.632 -4.392 8.706 1.00 0.00 H new ATOM 0 HA LYS A 48 1.826 -7.190 8.383 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.532 -5.311 8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.654 -7.057 8.884 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.084 -7.111 10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.232 -5.367 10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.192 -5.130 11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.346 -6.874 11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.378 -6.971 13.101 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.595 -5.235 13.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.921 -5.832 14.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.739 -4.938 13.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.950 -6.620 13.686 1.00 0.00 H new ATOM 813 N ILE A 49 0.292 -5.479 6.032 1.00 0.00 N ATOM 814 CA ILE A 49 -0.123 -5.503 4.640 1.00 0.00 C ATOM 815 C ILE A 49 1.082 -5.848 3.759 1.00 0.00 C ATOM 816 O ILE A 49 0.968 -6.586 2.771 1.00 0.00 O ATOM 817 CB ILE A 49 -0.696 -4.127 4.249 1.00 0.00 C ATOM 818 CG1 ILE A 49 -1.986 -3.847 5.035 1.00 0.00 C ATOM 819 CG2 ILE A 49 -1.019 -4.104 2.757 1.00 0.00 C ATOM 820 CD1 ILE A 49 -3.063 -4.867 4.678 1.00 0.00 C ATOM 0 H ILE A 49 0.226 -4.561 6.472 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.896 -6.258 4.497 1.00 0.00 H new ATOM 0 HB ILE A 49 0.048 -3.365 4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.782 -3.885 6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.342 -2.841 4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.424 -3.128 2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.110 -4.291 2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.754 -4.877 2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.969 -4.653 5.244 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.280 -4.809 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.711 -5.869 4.923 1.00 0.00 H new ATOM 832 N ALA A 50 2.215 -5.236 4.085 1.00 0.00 N ATOM 833 CA ALA A 50 3.435 -5.368 3.303 1.00 0.00 C ATOM 834 C ALA A 50 3.786 -6.825 3.080 1.00 0.00 C ATOM 835 O ALA A 50 4.512 -7.158 2.139 1.00 0.00 O ATOM 836 CB ALA A 50 4.602 -4.665 4.008 1.00 0.00 C ATOM 0 H ALA A 50 2.312 -4.633 4.902 1.00 0.00 H new ATOM 0 HA ALA A 50 3.260 -4.898 2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.507 -4.773 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.370 -3.607 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.759 -5.115 4.988 1.00 0.00 H new ATOM 842 N TYR A 51 3.335 -7.686 3.973 1.00 0.00 N ATOM 843 CA TYR A 51 3.652 -9.101 3.868 1.00 0.00 C ATOM 844 C TYR A 51 3.109 -9.660 2.554 1.00 0.00 C ATOM 845 O TYR A 51 3.851 -10.241 1.764 1.00 0.00 O ATOM 846 CB TYR A 51 3.065 -9.869 5.056 1.00 0.00 C ATOM 847 CG TYR A 51 3.412 -11.334 4.929 1.00 0.00 C ATOM 848 CD1 TYR A 51 4.708 -11.768 5.234 1.00 0.00 C ATOM 849 CD2 TYR A 51 2.448 -12.258 4.516 1.00 0.00 C ATOM 850 CE1 TYR A 51 5.038 -13.118 5.129 1.00 0.00 C ATOM 851 CE2 TYR A 51 2.781 -13.615 4.405 1.00 0.00 C ATOM 852 CZ TYR A 51 4.083 -14.041 4.714 1.00 0.00 C ATOM 853 OH TYR A 51 4.417 -15.376 4.623 1.00 0.00 O ATOM 0 H TYR A 51 2.753 -7.436 4.773 1.00 0.00 H new ATOM 0 HA TYR A 51 4.735 -9.221 3.882 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.459 -9.471 5.991 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.983 -9.742 5.086 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.454 -11.054 5.552 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.447 -11.927 4.283 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.037 -13.449 5.370 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.039 -14.330 4.083 1.00 0.00 H new ATOM 0 HH TYR A 51 3.638 -15.888 4.320 1.00 0.00 H new ATOM 863 N TYR A 52 1.849 -9.344 2.271 1.00 0.00 N ATOM 864 CA TYR A 52 1.204 -9.721 1.004 1.00 0.00 C ATOM 865 C TYR A 52 1.991 -9.094 -0.134 1.00 0.00 C ATOM 866 O TYR A 52 2.262 -9.718 -1.162 1.00 0.00 O ATOM 867 CB TYR A 52 -0.226 -9.171 0.983 1.00 0.00 C ATOM 868 CG TYR A 52 -1.141 -10.037 0.127 1.00 0.00 C ATOM 869 CD1 TYR A 52 -1.121 -9.935 -1.268 1.00 0.00 C ATOM 870 CD2 TYR A 52 -2.036 -10.923 0.744 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.991 -10.716 -2.042 1.00 0.00 C ATOM 872 CE2 TYR A 52 -2.900 -11.701 -0.029 1.00 0.00 C ATOM 873 CZ TYR A 52 -2.878 -11.596 -1.423 1.00 0.00 C ATOM 874 OH TYR A 52 -3.738 -12.365 -2.188 1.00 0.00 O ATOM 0 H TYR A 52 1.244 -8.822 2.905 1.00 0.00 H new ATOM 0 HA TYR A 52 1.179 -10.806 0.900 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.614 -9.123 2.000 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.220 -8.152 0.596 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.435 -9.254 -1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.057 -11.004 1.821 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.974 -10.636 -3.119 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.586 -12.384 0.450 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.609 -11.921 -2.247 1.00 0.00 H new ATOM 884 N LEU A 53 2.369 -7.848 0.085 1.00 0.00 N ATOM 885 CA LEU A 53 3.164 -7.082 -0.856 1.00 0.00 C ATOM 886 C LEU A 53 4.519 -7.713 -1.054 1.00 0.00 C ATOM 887 O LEU A 53 5.175 -7.464 -2.047 1.00 0.00 O ATOM 888 CB LEU A 53 3.313 -5.645 -0.377 1.00 0.00 C ATOM 889 CG LEU A 53 2.039 -4.866 -0.727 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.831 -3.739 0.269 1.00 0.00 C ATOM 891 CD2 LEU A 53 2.195 -4.256 -2.121 1.00 0.00 C ATOM 0 H LEU A 53 2.129 -7.333 0.932 1.00 0.00 H new ATOM 0 HA LEU A 53 2.647 -7.079 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.484 -5.623 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.180 -5.180 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 53 1.186 -5.544 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.924 -3.190 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.734 -4.154 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.685 -3.063 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.293 -3.700 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.052 -3.582 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.352 -5.051 -2.850 1.00 0.00 H new ATOM 903 N ASN A 54 5.012 -8.397 -0.045 1.00 0.00 N ATOM 904 CA ASN A 54 6.339 -9.005 -0.133 1.00 0.00 C ATOM 905 C ASN A 54 7.353 -7.948 -0.496 1.00 0.00 C ATOM 906 O ASN A 54 8.293 -8.199 -1.249 1.00 0.00 O ATOM 907 CB ASN A 54 6.335 -10.069 -1.241 1.00 0.00 C ATOM 908 CG ASN A 54 7.441 -11.089 -0.998 1.00 0.00 C ATOM 909 OD1 ASN A 54 7.734 -11.428 0.154 1.00 0.00 O ATOM 910 ND2 ASN A 54 8.083 -11.593 -2.007 1.00 0.00 N ATOM 0 H ASN A 54 4.528 -8.550 0.840 1.00 0.00 H new ATOM 0 HA ASN A 54 6.592 -9.456 0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.368 -10.571 -1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.476 -9.594 -2.212 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.830 -12.269 -1.850 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.841 -11.313 -2.957 1.00 0.00 H new ATOM 917 N THR A 55 7.104 -6.753 -0.043 1.00 0.00 N ATOM 918 CA THR A 55 7.918 -5.619 -0.395 1.00 0.00 C ATOM 919 C THR A 55 8.234 -4.823 0.860 1.00 0.00 C ATOM 920 O THR A 55 7.324 -4.424 1.588 1.00 0.00 O ATOM 921 CB THR A 55 7.155 -4.761 -1.417 1.00 0.00 C ATOM 922 OG1 THR A 55 6.707 -5.598 -2.501 1.00 0.00 O ATOM 923 CG2 THR A 55 8.066 -3.657 -1.956 1.00 0.00 C ATOM 0 H THR A 55 6.329 -6.534 0.583 1.00 0.00 H new ATOM 0 HA THR A 55 8.858 -5.943 -0.842 1.00 0.00 H new ATOM 0 HB THR A 55 6.294 -4.301 -0.932 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.856 -6.020 -2.259 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.518 -3.054 -2.680 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.397 -3.024 -1.133 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.933 -4.105 -2.441 1.00 0.00 H new ATOM 931 N PRO A 56 9.492 -4.705 1.197 1.00 0.00 N ATOM 932 CA PRO A 56 9.886 -4.052 2.471 1.00 0.00 C ATOM 933 C PRO A 56 9.493 -2.578 2.503 1.00 0.00 C ATOM 934 O PRO A 56 9.628 -1.856 1.507 1.00 0.00 O ATOM 935 CB PRO A 56 11.408 -4.211 2.499 1.00 0.00 C ATOM 936 CG PRO A 56 11.807 -4.221 1.061 1.00 0.00 C ATOM 937 CD PRO A 56 10.661 -4.899 0.302 1.00 0.00 C ATOM 0 HA PRO A 56 9.389 -4.497 3.333 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.883 -3.391 3.037 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.702 -5.134 2.999 1.00 0.00 H new ATOM 0 HG2 PRO A 56 11.969 -3.207 0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 56 12.742 -4.764 0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 56 10.500 -4.442 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 56 10.864 -5.956 0.129 1.00 0.00 H new ATOM 945 N LEU A 57 9.101 -2.123 3.670 1.00 0.00 N ATOM 946 CA LEU A 57 8.763 -0.727 3.877 1.00 0.00 C ATOM 947 C LEU A 57 10.001 0.127 3.678 1.00 0.00 C ATOM 948 O LEU A 57 9.927 1.281 3.246 1.00 0.00 O ATOM 949 CB LEU A 57 8.181 -0.512 5.276 1.00 0.00 C ATOM 950 CG LEU A 57 6.885 -1.328 5.426 1.00 0.00 C ATOM 951 CD1 LEU A 57 6.317 -1.145 6.834 1.00 0.00 C ATOM 952 CD2 LEU A 57 5.851 -0.874 4.383 1.00 0.00 C ATOM 0 H LEU A 57 9.006 -2.705 4.503 1.00 0.00 H new ATOM 0 HA LEU A 57 8.005 -0.434 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.904 -0.816 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.977 0.547 5.438 1.00 0.00 H new ATOM 0 HG LEU A 57 7.110 -2.382 5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.400 -1.725 6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.046 -1.489 7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.100 -0.091 7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.938 -1.458 4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.627 0.183 4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.254 -1.025 3.382 1.00 0.00 H new ATOM 964 N GLU A 58 11.141 -0.445 4.020 1.00 0.00 N ATOM 965 CA GLU A 58 12.417 0.239 3.911 1.00 0.00 C ATOM 966 C GLU A 58 12.514 0.954 2.567 1.00 0.00 C ATOM 967 O GLU A 58 13.061 2.063 2.473 1.00 0.00 O ATOM 968 CB GLU A 58 13.540 -0.792 4.006 1.00 0.00 C ATOM 969 CG GLU A 58 13.516 -1.452 5.391 1.00 0.00 C ATOM 970 CD GLU A 58 14.576 -2.533 5.496 1.00 0.00 C ATOM 971 OE1 GLU A 58 15.444 -2.581 4.656 1.00 0.00 O ATOM 972 OE2 GLU A 58 14.518 -3.287 6.434 1.00 0.00 O ATOM 0 H GLU A 58 11.209 -1.397 4.381 1.00 0.00 H new ATOM 0 HA GLU A 58 12.503 0.971 4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.420 -1.548 3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.504 -0.312 3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.683 -0.698 6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.532 -1.883 5.575 1.00 0.00 H new ATOM 979 N ASP A 59 11.991 0.308 1.528 1.00 0.00 N ATOM 980 CA ASP A 59 12.019 0.870 0.186 1.00 0.00 C ATOM 981 C ASP A 59 11.237 2.176 0.125 1.00 0.00 C ATOM 982 O ASP A 59 11.723 3.166 -0.404 1.00 0.00 O ATOM 983 CB ASP A 59 11.443 -0.130 -0.823 1.00 0.00 C ATOM 984 CG ASP A 59 11.656 0.371 -2.238 1.00 0.00 C ATOM 985 OD1 ASP A 59 12.794 0.488 -2.641 1.00 0.00 O ATOM 986 OD2 ASP A 59 10.682 0.620 -2.905 1.00 0.00 O ATOM 0 H ASP A 59 11.543 -0.606 1.593 1.00 0.00 H new ATOM 0 HA ASP A 59 13.058 1.077 -0.070 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.922 -1.101 -0.697 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.379 -0.273 -0.637 1.00 0.00 H new ATOM 991 N ILE A 60 10.054 2.192 0.722 1.00 0.00 N ATOM 992 CA ILE A 60 9.243 3.411 0.765 1.00 0.00 C ATOM 993 C ILE A 60 9.702 4.326 1.894 1.00 0.00 C ATOM 994 O ILE A 60 9.514 5.545 1.845 1.00 0.00 O ATOM 995 CB ILE A 60 7.750 3.077 0.901 1.00 0.00 C ATOM 996 CG1 ILE A 60 7.504 2.273 2.181 1.00 0.00 C ATOM 997 CG2 ILE A 60 7.293 2.249 -0.307 1.00 0.00 C ATOM 998 CD1 ILE A 60 6.001 2.099 2.390 1.00 0.00 C ATOM 0 H ILE A 60 9.633 1.385 1.181 1.00 0.00 H new ATOM 0 HA ILE A 60 9.381 3.940 -0.178 1.00 0.00 H new ATOM 0 HB ILE A 60 7.185 4.008 0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.988 1.299 2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.944 2.786 3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.233 2.014 -0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.453 2.820 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.867 1.324 -0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.824 1.527 3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.530 3.078 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.574 1.568 1.539 1.00 0.00 H new