USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 770 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: B 22 THR OG1 : rot -179:sc= -1.2 USER MOD Set 1.2: B 25 ASN : amide:sc= -2.57! C(o=-3.8!,f=-9.6!) USER MOD Set 2.1: A 22 THR OG1 : rot -177:sc= -1.38 USER MOD Set 2.2: A 25 ASN : amide:sc= -2.57! C(o=-3.9!,f=-9.9!) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.402 (180deg=-1.44) USER MOD Single : A 1 MET N :NH3+ 168:sc= 0 (180deg=-0.184) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.66! USER MOD Single : A 9 THR OG1 : rot -54:sc= 1.21 USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= -0.0255 (180deg=-0.168) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 20 SER OG : rot -56:sc= 0.0288 USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= -6.48! (180deg=-6.65!) USER MOD Single : A 29 LYS NZ :NH3+ 130:sc= -3.06! (180deg=-6.37!) USER MOD Single : A 31 GLN : amide:sc= -3.58! C(o=-3.6!,f=-5!) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= -0.0424 (180deg=-0.277) USER MOD Single : A 40 GLN : amide:sc= -11.6! C(o=-12!,f=-5.5!) USER MOD Single : A 41 GLN : amide:sc= -5.25 K(o=-5.2,f=-11!) USER MOD Single : B 1 MET CE :methyl -163:sc= -0.172 (180deg=-0.795) USER MOD Single : B 1 MET N :NH3+ 171:sc= 0 (180deg=-0.156) USER MOD Single : B 2 GLN : amide:sc=-0.00328 X(o=-0.0033,f=-0.0033) USER MOD Single : B 6 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00749) USER MOD Single : B 7 THR OG1 : rot 180:sc= -1.87! USER MOD Single : B 9 THR OG1 : rot -52:sc= 1.15 USER MOD Single : B 11 LYS NZ :NH3+ -170:sc=-9.5e-05 (180deg=-0.151) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -56:sc= 0.0256 USER MOD Single : B 27 LYS NZ :NH3+ 170:sc= -6.43! (180deg=-6.52!) USER MOD Single : B 29 LYS NZ :NH3+ -109:sc= -3.4! (180deg=-7.27!) USER MOD Single : B 31 GLN : amide:sc= -3.79! C(o=-3.8!,f=-5.4!) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 GLN : amide:sc= -11.6! C(o=-12!,f=-8!) USER MOD Single : B 41 GLN : amide:sc= -4.11! C(o=-4.1!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 21 N MET A 1 2.386 -4.804 -11.399 1.00 0.00 N ATOM 22 CA MET A 1 1.827 -3.465 -11.237 1.00 0.00 C ATOM 23 C MET A 1 2.741 -2.570 -10.404 1.00 0.00 C ATOM 24 O MET A 1 3.030 -2.863 -9.244 1.00 0.00 O ATOM 25 CB MET A 1 0.450 -3.545 -10.576 1.00 0.00 C ATOM 26 CG MET A 1 0.439 -4.366 -9.296 1.00 0.00 C ATOM 27 SD MET A 1 -1.096 -4.199 -8.368 1.00 0.00 S ATOM 28 CE MET A 1 -0.963 -2.503 -7.806 1.00 0.00 C ATOM 0 H1 MET A 1 1.660 -5.439 -11.789 1.00 0.00 H new ATOM 0 H2 MET A 1 3.197 -4.765 -12.049 1.00 0.00 H new ATOM 0 H3 MET A 1 2.700 -5.163 -10.475 1.00 0.00 H new ATOM 0 HA MET A 1 1.734 -3.026 -12.230 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.103 -2.536 -10.354 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.259 -3.978 -11.282 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.596 -5.416 -9.543 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.274 -4.058 -8.666 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.636 -2.345 -6.963 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.062 -2.302 -7.494 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.234 -1.828 -8.618 1.00 0.00 H new ATOM 38 N GLN A 2 3.180 -1.468 -11.006 1.00 0.00 N ATOM 39 CA GLN A 2 4.049 -0.515 -10.332 1.00 0.00 C ATOM 40 C GLN A 2 3.340 0.112 -9.135 1.00 0.00 C ATOM 41 O GLN A 2 2.157 0.446 -9.202 1.00 0.00 O ATOM 42 CB GLN A 2 4.491 0.578 -11.307 1.00 0.00 C ATOM 43 CG GLN A 2 3.334 1.355 -11.915 1.00 0.00 C ATOM 44 CD GLN A 2 3.796 2.436 -12.870 1.00 0.00 C ATOM 45 OE1 GLN A 2 4.456 2.157 -13.871 1.00 0.00 O ATOM 46 NE2 GLN A 2 3.450 3.683 -12.567 1.00 0.00 N ATOM 0 H GLN A 2 2.945 -1.214 -11.966 1.00 0.00 H new ATOM 0 HA GLN A 2 4.928 -1.050 -9.973 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.151 1.272 -10.787 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.074 0.124 -12.108 1.00 0.00 H new ATOM 0 HG2 GLN A 2 2.676 0.665 -12.444 1.00 0.00 H new ATOM 0 HG3 GLN A 2 2.746 1.808 -11.117 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.902 3.871 -11.727 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.732 4.452 -13.174 1.00 0.00 H new ATOM 55 N ILE A 3 4.075 0.269 -8.043 1.00 0.00 N ATOM 56 CA ILE A 3 3.536 0.856 -6.824 1.00 0.00 C ATOM 57 C ILE A 3 4.215 2.182 -6.518 1.00 0.00 C ATOM 58 O ILE A 3 5.364 2.402 -6.902 1.00 0.00 O ATOM 59 CB ILE A 3 3.712 -0.084 -5.613 1.00 0.00 C ATOM 60 CG1 ILE A 3 5.197 -0.325 -5.333 1.00 0.00 C ATOM 61 CG2 ILE A 3 2.991 -1.402 -5.852 1.00 0.00 C ATOM 62 CD1 ILE A 3 5.453 -1.226 -4.144 1.00 0.00 C ATOM 0 H ILE A 3 5.055 -0.005 -7.977 1.00 0.00 H new ATOM 0 HA ILE A 3 2.471 1.017 -6.994 1.00 0.00 H new ATOM 0 HB ILE A 3 3.271 0.394 -4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.658 -0.765 -6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.686 0.634 -5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.126 -2.052 -4.988 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.928 -1.213 -6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.402 -1.886 -6.738 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.527 -1.351 -4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.023 -0.778 -3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.994 -2.199 -4.319 1.00 0.00 H new ATOM 74 N PHE A 4 3.510 3.057 -5.817 1.00 0.00 N ATOM 75 CA PHE A 4 4.063 4.352 -5.452 1.00 0.00 C ATOM 76 C PHE A 4 4.822 4.228 -4.140 1.00 0.00 C ATOM 77 O PHE A 4 4.321 3.652 -3.175 1.00 0.00 O ATOM 78 CB PHE A 4 2.953 5.401 -5.321 1.00 0.00 C ATOM 79 CG PHE A 4 2.198 5.662 -6.596 1.00 0.00 C ATOM 80 CD1 PHE A 4 1.537 4.636 -7.255 1.00 0.00 C ATOM 81 CD2 PHE A 4 2.144 6.939 -7.132 1.00 0.00 C ATOM 82 CE1 PHE A 4 0.840 4.879 -8.423 1.00 0.00 C ATOM 83 CE2 PHE A 4 1.449 7.187 -8.301 1.00 0.00 C ATOM 84 CZ PHE A 4 0.796 6.156 -8.947 1.00 0.00 C ATOM 0 H PHE A 4 2.557 2.895 -5.491 1.00 0.00 H new ATOM 0 HA PHE A 4 4.745 4.676 -6.238 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.249 5.075 -4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.392 6.336 -4.974 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.567 3.635 -6.850 1.00 0.00 H new ATOM 0 HD2 PHE A 4 2.651 7.750 -6.630 1.00 0.00 H new ATOM 0 HE1 PHE A 4 0.330 4.071 -8.926 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.417 8.187 -8.709 1.00 0.00 H new ATOM 0 HZ PHE A 4 0.252 6.348 -9.860 1.00 0.00 H new ATOM 94 N VAL A 5 6.042 4.749 -4.116 1.00 0.00 N ATOM 95 CA VAL A 5 6.877 4.672 -2.925 1.00 0.00 C ATOM 96 C VAL A 5 7.681 5.953 -2.736 1.00 0.00 C ATOM 97 O VAL A 5 7.942 6.684 -3.692 1.00 0.00 O ATOM 98 CB VAL A 5 7.841 3.468 -2.993 1.00 0.00 C ATOM 99 CG1 VAL A 5 8.667 3.362 -1.718 1.00 0.00 C ATOM 100 CG2 VAL A 5 7.075 2.179 -3.244 1.00 0.00 C ATOM 0 H VAL A 5 6.474 5.228 -4.906 1.00 0.00 H new ATOM 0 HA VAL A 5 6.209 4.541 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 5 8.524 3.628 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 5 9.339 2.506 -1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 5 9.252 4.272 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.003 3.231 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.774 1.343 -3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.364 2.015 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.538 2.253 -4.189 1.00 0.00 H new ATOM 110 N LYS A 6 8.066 6.217 -1.495 1.00 0.00 N ATOM 111 CA LYS A 6 8.838 7.404 -1.163 1.00 0.00 C ATOM 112 C LYS A 6 9.890 7.080 -0.111 1.00 0.00 C ATOM 113 O LYS A 6 9.566 6.603 0.978 1.00 0.00 O ATOM 114 CB LYS A 6 7.909 8.509 -0.659 1.00 0.00 C ATOM 115 CG LYS A 6 6.878 8.942 -1.688 1.00 0.00 C ATOM 116 CD LYS A 6 5.824 9.852 -1.081 1.00 0.00 C ATOM 117 CE LYS A 6 4.771 10.235 -2.108 1.00 0.00 C ATOM 118 NZ LYS A 6 3.604 10.912 -1.485 1.00 0.00 N ATOM 0 H LYS A 6 7.854 5.619 -0.696 1.00 0.00 H new ATOM 0 HA LYS A 6 9.346 7.752 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.394 8.161 0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.507 9.373 -0.368 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.377 9.460 -2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.397 8.061 -2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.348 9.350 -0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.298 10.752 -0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.216 10.893 -2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.434 9.341 -2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.911 11.156 -2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.163 10.275 -0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.921 11.780 -1.007 1.00 0.00 H new ATOM 132 N THR A 7 11.150 7.335 -0.444 1.00 0.00 N ATOM 133 CA THR A 7 12.252 7.064 0.470 1.00 0.00 C ATOM 134 C THR A 7 12.223 8.015 1.660 1.00 0.00 C ATOM 135 O THR A 7 11.176 8.567 2.000 1.00 0.00 O ATOM 136 CB THR A 7 13.612 7.184 -0.240 1.00 0.00 C ATOM 137 OG1 THR A 7 13.837 8.539 -0.645 1.00 0.00 O ATOM 138 CG2 THR A 7 13.667 6.272 -1.457 1.00 0.00 C ATOM 0 H THR A 7 11.434 7.729 -1.341 1.00 0.00 H new ATOM 0 HA THR A 7 12.127 6.041 0.824 1.00 0.00 H new ATOM 0 HB THR A 7 14.390 6.881 0.460 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.705 8.606 -1.094 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.637 6.373 -1.944 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.524 5.238 -1.143 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.879 6.551 -2.157 1.00 0.00 H new ATOM 146 N LEU A 8 13.376 8.205 2.290 1.00 0.00 N ATOM 147 CA LEU A 8 13.475 9.091 3.440 1.00 0.00 C ATOM 148 C LEU A 8 13.282 10.546 3.021 1.00 0.00 C ATOM 149 O LEU A 8 12.530 11.288 3.652 1.00 0.00 O ATOM 150 CB LEU A 8 14.824 8.915 4.144 1.00 0.00 C ATOM 151 CG LEU A 8 15.134 7.488 4.610 1.00 0.00 C ATOM 152 CD1 LEU A 8 15.603 6.634 3.447 1.00 0.00 C ATOM 153 CD2 LEU A 8 16.192 7.498 5.696 1.00 0.00 C ATOM 0 H LEU A 8 14.253 7.758 2.024 1.00 0.00 H new ATOM 0 HA LEU A 8 12.682 8.826 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.614 9.239 3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.854 9.577 5.009 1.00 0.00 H new ATOM 0 HG LEU A 8 14.216 7.061 5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.818 5.625 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.823 6.594 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.506 7.068 3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.398 6.476 6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.106 7.949 5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.834 8.077 6.547 1.00 0.00 H new ATOM 165 N THR A 9 13.960 10.947 1.948 1.00 0.00 N ATOM 166 CA THR A 9 13.854 12.313 1.445 1.00 0.00 C ATOM 167 C THR A 9 12.629 12.475 0.547 1.00 0.00 C ATOM 168 O THR A 9 12.601 13.332 -0.338 1.00 0.00 O ATOM 169 CB THR A 9 15.116 12.721 0.660 1.00 0.00 C ATOM 170 OG1 THR A 9 15.002 14.079 0.214 1.00 0.00 O ATOM 171 CG2 THR A 9 15.331 11.807 -0.537 1.00 0.00 C ATOM 0 H THR A 9 14.587 10.347 1.412 1.00 0.00 H new ATOM 0 HA THR A 9 13.751 12.965 2.313 1.00 0.00 H new ATOM 0 HB THR A 9 15.973 12.629 1.327 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.166 14.191 -0.284 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.228 12.116 -1.074 1.00 0.00 H new ATOM 0 HG22 THR A 9 15.450 10.779 -0.193 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.470 11.870 -1.202 1.00 0.00 H new ATOM 179 N GLY A 10 11.615 11.646 0.783 1.00 0.00 N ATOM 180 CA GLY A 10 10.398 11.708 -0.005 1.00 0.00 C ATOM 181 C GLY A 10 10.653 11.515 -1.486 1.00 0.00 C ATOM 182 O GLY A 10 10.010 12.150 -2.323 1.00 0.00 O ATOM 0 H GLY A 10 11.616 10.930 1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.704 10.943 0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.915 12.672 0.154 1.00 0.00 H new ATOM 186 N LYS A 11 11.596 10.636 -1.812 1.00 0.00 N ATOM 187 CA LYS A 11 11.932 10.362 -3.204 1.00 0.00 C ATOM 188 C LYS A 11 10.875 9.481 -3.860 1.00 0.00 C ATOM 189 O LYS A 11 10.535 8.420 -3.341 1.00 0.00 O ATOM 190 CB LYS A 11 13.295 9.673 -3.297 1.00 0.00 C ATOM 191 CG LYS A 11 13.697 9.313 -4.719 1.00 0.00 C ATOM 192 CD LYS A 11 14.921 8.409 -4.746 1.00 0.00 C ATOM 193 CE LYS A 11 16.126 9.073 -4.099 1.00 0.00 C ATOM 194 NZ LYS A 11 16.506 10.335 -4.793 1.00 0.00 N ATOM 0 H LYS A 11 12.139 10.103 -1.133 1.00 0.00 H new ATOM 0 HA LYS A 11 11.970 11.316 -3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.054 10.327 -2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.277 8.766 -2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.865 8.815 -5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.905 10.224 -5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.697 7.477 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.159 8.150 -5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.904 9.287 -3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.970 8.384 -4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.432 10.657 -4.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.561 10.165 -5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.791 11.065 -4.601 1.00 0.00 H new ATOM 208 N THR A 12 10.370 9.913 -5.010 1.00 0.00 N ATOM 209 CA THR A 12 9.366 9.144 -5.731 1.00 0.00 C ATOM 210 C THR A 12 9.995 7.914 -6.374 1.00 0.00 C ATOM 211 O THR A 12 11.065 7.999 -6.975 1.00 0.00 O ATOM 212 CB THR A 12 8.682 9.992 -6.822 1.00 0.00 C ATOM 213 OG1 THR A 12 8.087 11.156 -6.238 1.00 0.00 O ATOM 214 CG2 THR A 12 7.617 9.184 -7.548 1.00 0.00 C ATOM 0 H THR A 12 10.639 10.788 -5.460 1.00 0.00 H new ATOM 0 HA THR A 12 8.613 8.834 -5.006 1.00 0.00 H new ATOM 0 HB THR A 12 9.441 10.295 -7.543 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.656 11.690 -6.938 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.149 9.804 -8.313 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.077 8.314 -8.017 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.861 8.854 -6.835 1.00 0.00 H new ATOM 222 N ILE A 13 9.334 6.770 -6.235 1.00 0.00 N ATOM 223 CA ILE A 13 9.848 5.526 -6.797 1.00 0.00 C ATOM 224 C ILE A 13 8.733 4.551 -7.155 1.00 0.00 C ATOM 225 O ILE A 13 7.824 4.301 -6.362 1.00 0.00 O ATOM 226 CB ILE A 13 10.828 4.837 -5.823 1.00 0.00 C ATOM 227 CG1 ILE A 13 10.934 3.337 -6.125 1.00 0.00 C ATOM 228 CG2 ILE A 13 10.403 5.065 -4.382 1.00 0.00 C ATOM 229 CD1 ILE A 13 11.647 2.547 -5.049 1.00 0.00 C ATOM 0 H ILE A 13 8.446 6.678 -5.741 1.00 0.00 H new ATOM 0 HA ILE A 13 10.374 5.799 -7.712 1.00 0.00 H new ATOM 0 HB ILE A 13 11.813 5.282 -5.963 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.931 2.931 -6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.460 3.202 -7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.107 4.571 -3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 13 10.391 6.134 -4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.406 4.653 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.683 1.495 -5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.662 2.926 -4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.110 2.650 -4.106 1.00 0.00 H new ATOM 241 N THR A 14 8.837 3.985 -8.352 1.00 0.00 N ATOM 242 CA THR A 14 7.871 3.008 -8.839 1.00 0.00 C ATOM 243 C THR A 14 8.387 1.592 -8.619 1.00 0.00 C ATOM 244 O THR A 14 9.594 1.355 -8.630 1.00 0.00 O ATOM 245 CB THR A 14 7.559 3.202 -10.333 1.00 0.00 C ATOM 246 OG1 THR A 14 8.752 3.549 -11.047 1.00 0.00 O ATOM 247 CG2 THR A 14 6.499 4.273 -10.535 1.00 0.00 C ATOM 0 H THR A 14 9.590 4.189 -9.009 1.00 0.00 H new ATOM 0 HA THR A 14 6.952 3.161 -8.273 1.00 0.00 H new ATOM 0 HB THR A 14 7.171 2.261 -10.723 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.542 3.668 -11.997 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.298 4.390 -11.600 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.583 3.979 -10.023 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.855 5.219 -10.127 1.00 0.00 H new ATOM 255 N LEU A 15 7.470 0.655 -8.414 1.00 0.00 N ATOM 256 CA LEU A 15 7.850 -0.733 -8.188 1.00 0.00 C ATOM 257 C LEU A 15 6.716 -1.687 -8.563 1.00 0.00 C ATOM 258 O LEU A 15 5.671 -1.714 -7.918 1.00 0.00 O ATOM 259 CB LEU A 15 8.235 -0.910 -6.714 1.00 0.00 C ATOM 260 CG LEU A 15 8.297 -2.354 -6.208 1.00 0.00 C ATOM 261 CD1 LEU A 15 9.207 -3.203 -7.080 1.00 0.00 C ATOM 262 CD2 LEU A 15 8.756 -2.383 -4.759 1.00 0.00 C ATOM 0 H LEU A 15 6.465 0.829 -8.400 1.00 0.00 H new ATOM 0 HA LEU A 15 8.702 -0.975 -8.823 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.209 -0.447 -6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.518 -0.362 -6.103 1.00 0.00 H new ATOM 0 HG LEU A 15 7.295 -2.779 -6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.231 -4.223 -6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.829 -3.209 -8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.214 -2.787 -7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.796 -3.415 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.747 -1.935 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.055 -1.819 -4.144 1.00 0.00 H new ATOM 274 N GLU A 16 6.941 -2.478 -9.608 1.00 0.00 N ATOM 275 CA GLU A 16 5.948 -3.437 -10.069 1.00 0.00 C ATOM 276 C GLU A 16 5.985 -4.715 -9.237 1.00 0.00 C ATOM 277 O GLU A 16 7.046 -5.305 -9.032 1.00 0.00 O ATOM 278 CB GLU A 16 6.171 -3.761 -11.549 1.00 0.00 C ATOM 279 CG GLU A 16 7.547 -4.337 -11.848 1.00 0.00 C ATOM 280 CD GLU A 16 7.743 -4.650 -13.319 1.00 0.00 C ATOM 281 OE1 GLU A 16 6.804 -4.415 -14.108 1.00 0.00 O ATOM 282 OE2 GLU A 16 8.837 -5.131 -13.682 1.00 0.00 O ATOM 0 H GLU A 16 7.804 -2.472 -10.151 1.00 0.00 H new ATOM 0 HA GLU A 16 4.963 -2.986 -9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.411 -4.471 -11.875 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.032 -2.853 -12.136 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.311 -3.629 -11.526 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.690 -5.247 -11.265 1.00 0.00 H new ATOM 289 N VAL A 17 4.813 -5.138 -8.771 1.00 0.00 N ATOM 290 CA VAL A 17 4.682 -6.348 -7.965 1.00 0.00 C ATOM 291 C VAL A 17 3.264 -6.898 -8.055 1.00 0.00 C ATOM 292 O VAL A 17 2.292 -6.159 -7.903 1.00 0.00 O ATOM 293 CB VAL A 17 5.029 -6.094 -6.483 1.00 0.00 C ATOM 294 CG1 VAL A 17 6.531 -5.955 -6.293 1.00 0.00 C ATOM 295 CG2 VAL A 17 4.312 -4.853 -5.971 1.00 0.00 C ATOM 0 H VAL A 17 3.931 -4.654 -8.940 1.00 0.00 H new ATOM 0 HA VAL A 17 5.389 -7.074 -8.366 1.00 0.00 H new ATOM 0 HB VAL A 17 4.691 -6.954 -5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.750 -5.777 -5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.025 -6.871 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.897 -5.117 -6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.569 -4.690 -4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.618 -3.988 -6.559 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.235 -4.991 -6.063 1.00 0.00 H new ATOM 305 N GLU A 18 3.151 -8.197 -8.313 1.00 0.00 N ATOM 306 CA GLU A 18 1.848 -8.843 -8.437 1.00 0.00 C ATOM 307 C GLU A 18 0.996 -8.611 -7.190 1.00 0.00 C ATOM 308 O GLU A 18 1.504 -8.620 -6.070 1.00 0.00 O ATOM 309 CB GLU A 18 2.019 -10.344 -8.685 1.00 0.00 C ATOM 310 CG GLU A 18 2.742 -11.071 -7.564 1.00 0.00 C ATOM 311 CD GLU A 18 2.922 -12.551 -7.847 1.00 0.00 C ATOM 312 OE1 GLU A 18 2.535 -12.998 -8.946 1.00 0.00 O ATOM 313 OE2 GLU A 18 3.454 -13.262 -6.969 1.00 0.00 O ATOM 0 H GLU A 18 3.946 -8.824 -8.440 1.00 0.00 H new ATOM 0 HA GLU A 18 1.333 -8.398 -9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.036 -10.794 -8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.570 -10.489 -9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.719 -10.613 -7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.183 -10.948 -6.636 1.00 0.00 H new ATOM 320 N PRO A 19 -0.320 -8.399 -7.373 1.00 0.00 N ATOM 321 CA PRO A 19 -1.250 -8.166 -6.262 1.00 0.00 C ATOM 322 C PRO A 19 -1.268 -9.322 -5.271 1.00 0.00 C ATOM 323 O PRO A 19 -1.371 -9.117 -4.062 1.00 0.00 O ATOM 324 CB PRO A 19 -2.611 -8.040 -6.954 1.00 0.00 C ATOM 325 CG PRO A 19 -2.428 -8.671 -8.284 1.00 0.00 C ATOM 326 CD PRO A 19 -1.012 -8.374 -8.671 1.00 0.00 C ATOM 0 HA PRO A 19 -0.971 -7.290 -5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.392 -8.543 -6.383 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.909 -6.996 -7.051 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.606 -9.745 -8.237 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.129 -8.263 -9.013 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.613 -9.120 -9.359 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.919 -7.406 -9.163 1.00 0.00 H new ATOM 334 N SER A 20 -1.170 -10.537 -5.796 1.00 0.00 N ATOM 335 CA SER A 20 -1.178 -11.733 -4.963 1.00 0.00 C ATOM 336 C SER A 20 0.035 -11.753 -4.041 1.00 0.00 C ATOM 337 O SER A 20 0.032 -12.424 -3.011 1.00 0.00 O ATOM 338 CB SER A 20 -1.192 -12.987 -5.839 1.00 0.00 C ATOM 339 OG SER A 20 -2.352 -13.030 -6.650 1.00 0.00 O ATOM 0 H SER A 20 -1.084 -10.720 -6.796 1.00 0.00 H new ATOM 0 HA SER A 20 -2.079 -11.719 -4.350 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.303 -13.004 -6.469 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.152 -13.875 -5.208 1.00 0.00 H new ATOM 0 HG SER A 20 -3.149 -12.969 -6.084 1.00 0.00 H new ATOM 345 N ASP A 21 1.071 -11.012 -4.420 1.00 0.00 N ATOM 346 CA ASP A 21 2.291 -10.945 -3.623 1.00 0.00 C ATOM 347 C ASP A 21 1.998 -10.370 -2.241 1.00 0.00 C ATOM 348 O ASP A 21 1.292 -9.369 -2.112 1.00 0.00 O ATOM 349 CB ASP A 21 3.350 -10.096 -4.326 1.00 0.00 C ATOM 350 CG ASP A 21 4.684 -10.122 -3.606 1.00 0.00 C ATOM 351 OD1 ASP A 21 5.278 -11.214 -3.497 1.00 0.00 O ATOM 352 OD2 ASP A 21 5.134 -9.051 -3.151 1.00 0.00 O ATOM 0 H ASP A 21 1.091 -10.451 -5.272 1.00 0.00 H new ATOM 0 HA ASP A 21 2.675 -11.959 -3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.484 -10.458 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.998 -9.067 -4.396 1.00 0.00 H new ATOM 357 N THR A 22 2.539 -11.012 -1.211 1.00 0.00 N ATOM 358 CA THR A 22 2.333 -10.569 0.164 1.00 0.00 C ATOM 359 C THR A 22 2.952 -9.197 0.407 1.00 0.00 C ATOM 360 O THR A 22 3.985 -8.858 -0.171 1.00 0.00 O ATOM 361 CB THR A 22 2.923 -11.573 1.168 1.00 0.00 C ATOM 362 OG1 THR A 22 4.324 -11.736 0.933 1.00 0.00 O ATOM 363 CG2 THR A 22 2.226 -12.919 1.056 1.00 0.00 C ATOM 0 H THR A 22 3.124 -11.842 -1.302 1.00 0.00 H new ATOM 0 HA THR A 22 1.255 -10.503 0.314 1.00 0.00 H new ATOM 0 HB THR A 22 2.768 -11.182 2.174 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.682 -12.411 1.546 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.659 -13.614 1.775 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.163 -12.797 1.264 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.355 -13.313 0.048 1.00 0.00 H new ATOM 371 N ILE A 23 2.308 -8.413 1.267 1.00 0.00 N ATOM 372 CA ILE A 23 2.786 -7.073 1.594 1.00 0.00 C ATOM 373 C ILE A 23 4.228 -7.107 2.095 1.00 0.00 C ATOM 374 O ILE A 23 5.019 -6.212 1.803 1.00 0.00 O ATOM 375 CB ILE A 23 1.897 -6.402 2.663 1.00 0.00 C ATOM 376 CG1 ILE A 23 0.440 -6.356 2.194 1.00 0.00 C ATOM 377 CG2 ILE A 23 2.405 -4.999 2.968 1.00 0.00 C ATOM 378 CD1 ILE A 23 -0.507 -5.742 3.206 1.00 0.00 C ATOM 0 H ILE A 23 1.452 -8.683 1.751 1.00 0.00 H new ATOM 0 HA ILE A 23 2.739 -6.489 0.675 1.00 0.00 H new ATOM 0 HB ILE A 23 1.945 -6.994 3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.384 -5.787 1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.108 -7.369 1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.769 -4.538 3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.428 -5.055 3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.383 -4.398 2.059 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.520 -5.744 2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.481 -6.323 4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.201 -4.717 3.415 1.00 0.00 H new ATOM 390 N GLU A 24 4.565 -8.142 2.856 1.00 0.00 N ATOM 391 CA GLU A 24 5.913 -8.284 3.396 1.00 0.00 C ATOM 392 C GLU A 24 6.955 -8.313 2.280 1.00 0.00 C ATOM 393 O GLU A 24 8.062 -7.799 2.440 1.00 0.00 O ATOM 394 CB GLU A 24 6.017 -9.552 4.246 1.00 0.00 C ATOM 395 CG GLU A 24 5.695 -10.827 3.484 1.00 0.00 C ATOM 396 CD GLU A 24 5.805 -12.066 4.349 1.00 0.00 C ATOM 397 OE1 GLU A 24 6.907 -12.327 4.877 1.00 0.00 O ATOM 398 OE2 GLU A 24 4.788 -12.777 4.500 1.00 0.00 O ATOM 0 H GLU A 24 3.925 -8.894 3.113 1.00 0.00 H new ATOM 0 HA GLU A 24 6.113 -7.417 4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.027 -9.626 4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.339 -9.466 5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.685 -10.759 3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.373 -10.920 2.635 1.00 0.00 H new ATOM 405 N ASN A 25 6.598 -8.921 1.151 1.00 0.00 N ATOM 406 CA ASN A 25 7.508 -9.019 0.014 1.00 0.00 C ATOM 407 C ASN A 25 7.634 -7.691 -0.725 1.00 0.00 C ATOM 408 O ASN A 25 8.743 -7.243 -1.017 1.00 0.00 O ATOM 409 CB ASN A 25 7.037 -10.109 -0.950 1.00 0.00 C ATOM 410 CG ASN A 25 7.234 -11.503 -0.384 1.00 0.00 C ATOM 411 OD1 ASN A 25 6.786 -11.808 0.719 1.00 0.00 O ATOM 412 ND2 ASN A 25 7.908 -12.359 -1.143 1.00 0.00 N ATOM 0 H ASN A 25 5.686 -9.352 1.000 1.00 0.00 H new ATOM 0 HA ASN A 25 8.492 -9.280 0.403 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.982 -9.958 -1.178 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.582 -10.020 -1.890 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.071 -13.311 -0.816 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.263 -12.064 -2.053 1.00 0.00 H new ATOM 419 N VAL A 26 6.501 -7.064 -1.031 1.00 0.00 N ATOM 420 CA VAL A 26 6.510 -5.791 -1.742 1.00 0.00 C ATOM 421 C VAL A 26 7.349 -4.752 -1.001 1.00 0.00 C ATOM 422 O VAL A 26 8.116 -4.012 -1.617 1.00 0.00 O ATOM 423 CB VAL A 26 5.086 -5.242 -1.965 1.00 0.00 C ATOM 424 CG1 VAL A 26 4.266 -6.203 -2.811 1.00 0.00 C ATOM 425 CG2 VAL A 26 4.392 -4.963 -0.643 1.00 0.00 C ATOM 0 H VAL A 26 5.572 -7.415 -0.799 1.00 0.00 H new ATOM 0 HA VAL A 26 6.958 -5.983 -2.717 1.00 0.00 H new ATOM 0 HB VAL A 26 5.172 -4.298 -2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.265 -5.797 -2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.747 -6.337 -3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.197 -7.166 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.390 -4.577 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.323 -5.886 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.964 -4.226 -0.080 1.00 0.00 H new ATOM 435 N LYS A 27 7.210 -4.708 0.321 1.00 0.00 N ATOM 436 CA LYS A 27 7.969 -3.765 1.135 1.00 0.00 C ATOM 437 C LYS A 27 9.446 -4.147 1.161 1.00 0.00 C ATOM 438 O LYS A 27 10.324 -3.284 1.136 1.00 0.00 O ATOM 439 CB LYS A 27 7.426 -3.714 2.567 1.00 0.00 C ATOM 440 CG LYS A 27 5.953 -3.342 2.658 1.00 0.00 C ATOM 441 CD LYS A 27 5.532 -3.065 4.095 1.00 0.00 C ATOM 442 CE LYS A 27 5.783 -4.261 5.003 1.00 0.00 C ATOM 443 NZ LYS A 27 4.992 -5.451 4.590 1.00 0.00 N ATOM 0 H LYS A 27 6.581 -5.312 0.850 1.00 0.00 H new ATOM 0 HA LYS A 27 7.862 -2.778 0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.574 -4.687 3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.008 -2.992 3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.761 -2.461 2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.347 -4.151 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.079 -2.201 4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.473 -2.807 4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.844 -4.509 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.530 -3.996 6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.255 -6.265 5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.978 -5.252 4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.189 -5.669 3.592 1.00 0.00 H new ATOM 457 N ALA A 28 9.709 -5.450 1.219 1.00 0.00 N ATOM 458 CA ALA A 28 11.074 -5.962 1.258 1.00 0.00 C ATOM 459 C ALA A 28 11.890 -5.481 0.061 1.00 0.00 C ATOM 460 O ALA A 28 13.057 -5.116 0.202 1.00 0.00 O ATOM 461 CB ALA A 28 11.062 -7.482 1.315 1.00 0.00 C ATOM 0 H ALA A 28 8.990 -6.173 1.240 1.00 0.00 H new ATOM 0 HA ALA A 28 11.550 -5.574 2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.086 -7.853 1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.533 -7.808 2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.558 -7.875 0.432 1.00 0.00 H new ATOM 467 N LYS A 29 11.270 -5.475 -1.117 1.00 0.00 N ATOM 468 CA LYS A 29 11.943 -5.030 -2.331 1.00 0.00 C ATOM 469 C LYS A 29 12.304 -3.564 -2.205 1.00 0.00 C ATOM 470 O LYS A 29 13.376 -3.136 -2.632 1.00 0.00 O ATOM 471 CB LYS A 29 11.042 -5.252 -3.545 1.00 0.00 C ATOM 472 CG LYS A 29 10.441 -6.644 -3.592 1.00 0.00 C ATOM 473 CD LYS A 29 9.631 -6.868 -4.858 1.00 0.00 C ATOM 474 CE LYS A 29 9.074 -8.280 -4.919 1.00 0.00 C ATOM 475 NZ LYS A 29 8.314 -8.528 -6.175 1.00 0.00 N ATOM 0 H LYS A 29 10.304 -5.773 -1.255 1.00 0.00 H new ATOM 0 HA LYS A 29 12.856 -5.610 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.238 -4.516 -3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.618 -5.080 -4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.238 -7.386 -3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.803 -6.794 -2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.812 -6.150 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.259 -6.685 -5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.893 -8.996 -4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.422 -8.450 -4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.648 -9.409 -6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.301 -8.612 -5.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.462 -7.736 -6.832 1.00 0.00 H new ATOM 489 N ILE A 30 11.405 -2.803 -1.593 1.00 0.00 N ATOM 490 CA ILE A 30 11.627 -1.387 -1.379 1.00 0.00 C ATOM 491 C ILE A 30 12.930 -1.180 -0.616 1.00 0.00 C ATOM 492 O ILE A 30 13.655 -0.213 -0.852 1.00 0.00 O ATOM 493 CB ILE A 30 10.458 -0.755 -0.604 1.00 0.00 C ATOM 494 CG1 ILE A 30 9.151 -0.936 -1.381 1.00 0.00 C ATOM 495 CG2 ILE A 30 10.728 0.721 -0.344 1.00 0.00 C ATOM 496 CD1 ILE A 30 7.933 -0.409 -0.655 1.00 0.00 C ATOM 0 H ILE A 30 10.514 -3.149 -1.237 1.00 0.00 H new ATOM 0 HA ILE A 30 11.693 -0.899 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 30 10.362 -1.259 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.237 -0.430 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.007 -1.996 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.891 1.153 0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.640 0.826 0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.846 1.242 -1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.046 -0.572 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.821 -0.933 0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.054 0.658 -0.469 1.00 0.00 H new ATOM 508 N GLN A 31 13.236 -2.120 0.280 1.00 0.00 N ATOM 509 CA GLN A 31 14.467 -2.067 1.053 1.00 0.00 C ATOM 510 C GLN A 31 15.646 -2.129 0.101 1.00 0.00 C ATOM 511 O GLN A 31 16.616 -1.385 0.237 1.00 0.00 O ATOM 512 CB GLN A 31 14.540 -3.237 2.034 1.00 0.00 C ATOM 513 CG GLN A 31 13.347 -3.337 2.967 1.00 0.00 C ATOM 514 CD GLN A 31 13.419 -4.541 3.887 1.00 0.00 C ATOM 515 OE1 GLN A 31 12.511 -4.782 4.679 1.00 0.00 O ATOM 516 NE2 GLN A 31 14.503 -5.308 3.791 1.00 0.00 N ATOM 0 H GLN A 31 12.645 -2.925 0.485 1.00 0.00 H new ATOM 0 HA GLN A 31 14.490 -1.138 1.623 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.626 -4.166 1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.447 -3.141 2.630 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.284 -2.430 3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.433 -3.391 2.376 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.235 -5.074 3.121 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.601 -6.129 4.388 1.00 0.00 H new ATOM 525 N ASP A 32 15.537 -3.018 -0.881 1.00 0.00 N ATOM 526 CA ASP A 32 16.575 -3.173 -1.881 1.00 0.00 C ATOM 527 C ASP A 32 16.694 -1.887 -2.684 1.00 0.00 C ATOM 528 O ASP A 32 17.790 -1.439 -3.019 1.00 0.00 O ATOM 529 CB ASP A 32 16.256 -4.349 -2.809 1.00 0.00 C ATOM 530 CG ASP A 32 17.350 -4.600 -3.830 1.00 0.00 C ATOM 531 OD1 ASP A 32 17.655 -3.679 -4.616 1.00 0.00 O ATOM 532 OD2 ASP A 32 17.899 -5.721 -3.847 1.00 0.00 O ATOM 0 H ASP A 32 14.738 -3.640 -1.001 1.00 0.00 H new ATOM 0 HA ASP A 32 17.523 -3.380 -1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 32 16.108 -5.249 -2.212 1.00 0.00 H new ATOM 0 HB3 ASP A 32 15.318 -4.153 -3.328 1.00 0.00 H new ATOM 537 N LYS A 33 15.539 -1.297 -2.978 1.00 0.00 N ATOM 538 CA LYS A 33 15.469 -0.056 -3.731 1.00 0.00 C ATOM 539 C LYS A 33 15.804 1.144 -2.847 1.00 0.00 C ATOM 540 O LYS A 33 15.749 2.291 -3.291 1.00 0.00 O ATOM 541 CB LYS A 33 14.079 0.099 -4.350 1.00 0.00 C ATOM 542 CG LYS A 33 13.807 -0.904 -5.459 1.00 0.00 C ATOM 543 CD LYS A 33 12.501 -0.612 -6.173 1.00 0.00 C ATOM 544 CE LYS A 33 12.278 -1.562 -7.339 1.00 0.00 C ATOM 545 NZ LYS A 33 13.315 -1.400 -8.396 1.00 0.00 N ATOM 0 H LYS A 33 14.630 -1.667 -2.700 1.00 0.00 H new ATOM 0 HA LYS A 33 16.209 -0.094 -4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.326 -0.016 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.975 1.109 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.627 -0.883 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.776 -1.910 -5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.673 -0.698 -5.469 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.505 0.416 -6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.287 -2.590 -6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.292 -1.384 -7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.989 -1.853 -9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.480 -0.388 -8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.201 -1.847 -8.084 1.00 0.00 H new ATOM 559 N GLU A 34 16.163 0.865 -1.597 1.00 0.00 N ATOM 560 CA GLU A 34 16.520 1.910 -0.643 1.00 0.00 C ATOM 561 C GLU A 34 17.143 1.291 0.610 1.00 0.00 C ATOM 562 O GLU A 34 18.262 0.777 0.557 1.00 0.00 O ATOM 563 CB GLU A 34 15.297 2.757 -0.282 1.00 0.00 C ATOM 564 CG GLU A 34 15.623 3.956 0.597 1.00 0.00 C ATOM 565 CD GLU A 34 16.687 4.851 -0.007 1.00 0.00 C ATOM 566 OE1 GLU A 34 16.500 5.305 -1.155 1.00 0.00 O ATOM 567 OE2 GLU A 34 17.706 5.102 0.669 1.00 0.00 O ATOM 0 H GLU A 34 16.214 -0.081 -1.220 1.00 0.00 H new ATOM 0 HA GLU A 34 17.256 2.566 -1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.825 3.108 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.569 2.129 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.716 4.537 0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.960 3.605 1.573 1.00 0.00 H new ATOM 574 N GLY A 35 16.426 1.330 1.732 1.00 0.00 N ATOM 575 CA GLY A 35 16.953 0.753 2.956 1.00 0.00 C ATOM 576 C GLY A 35 16.135 1.101 4.186 1.00 0.00 C ATOM 577 O GLY A 35 16.681 1.561 5.189 1.00 0.00 O ATOM 0 H GLY A 35 15.499 1.747 1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.993 -0.331 2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.977 1.098 3.100 1.00 0.00 H new ATOM 581 N ILE A 36 14.826 0.878 4.117 1.00 0.00 N ATOM 582 CA ILE A 36 13.943 1.166 5.235 1.00 0.00 C ATOM 583 C ILE A 36 13.164 -0.073 5.664 1.00 0.00 C ATOM 584 O ILE A 36 12.543 -0.744 4.839 1.00 0.00 O ATOM 585 CB ILE A 36 12.940 2.294 4.912 1.00 0.00 C ATOM 586 CG1 ILE A 36 12.201 2.032 3.590 1.00 0.00 C ATOM 587 CG2 ILE A 36 13.642 3.642 4.883 1.00 0.00 C ATOM 588 CD1 ILE A 36 13.071 2.095 2.353 1.00 0.00 C ATOM 0 H ILE A 36 14.356 0.498 3.296 1.00 0.00 H new ATOM 0 HA ILE A 36 14.589 1.493 6.050 1.00 0.00 H new ATOM 0 HB ILE A 36 12.193 2.311 5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.735 1.048 3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.397 2.761 3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.918 4.424 4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.093 3.838 5.856 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.419 3.631 4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.463 1.897 1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.517 3.086 2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 36 13.860 1.347 2.425 1.00 0.00 H new ATOM 600 N PRO A 37 13.187 -0.388 6.972 1.00 0.00 N ATOM 601 CA PRO A 37 12.478 -1.544 7.527 1.00 0.00 C ATOM 602 C PRO A 37 11.048 -1.659 7.004 1.00 0.00 C ATOM 603 O PRO A 37 10.413 -0.653 6.688 1.00 0.00 O ATOM 604 CB PRO A 37 12.471 -1.251 9.025 1.00 0.00 C ATOM 605 CG PRO A 37 13.715 -0.467 9.254 1.00 0.00 C ATOM 606 CD PRO A 37 13.910 0.366 8.017 1.00 0.00 C ATOM 0 HA PRO A 37 12.954 -2.487 7.256 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.586 -0.685 9.315 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.468 -2.171 9.610 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.623 0.163 10.139 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.567 -1.126 9.420 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.503 1.369 8.141 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.966 0.478 7.772 1.00 0.00 H new ATOM 614 N PRO A 38 10.519 -2.892 6.910 1.00 0.00 N ATOM 615 CA PRO A 38 9.157 -3.130 6.424 1.00 0.00 C ATOM 616 C PRO A 38 8.116 -2.377 7.245 1.00 0.00 C ATOM 617 O PRO A 38 7.100 -1.926 6.717 1.00 0.00 O ATOM 618 CB PRO A 38 8.969 -4.643 6.584 1.00 0.00 C ATOM 619 CG PRO A 38 10.349 -5.204 6.638 1.00 0.00 C ATOM 620 CD PRO A 38 11.205 -4.144 7.273 1.00 0.00 C ATOM 0 HA PRO A 38 9.027 -2.782 5.399 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.413 -4.877 7.492 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.406 -5.061 5.749 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.373 -6.125 7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.709 -5.449 5.639 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.266 -4.270 8.354 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.226 -4.169 6.891 1.00 0.00 H new ATOM 628 N ASP A 39 8.380 -2.248 8.541 1.00 0.00 N ATOM 629 CA ASP A 39 7.473 -1.553 9.446 1.00 0.00 C ATOM 630 C ASP A 39 7.373 -0.074 9.091 1.00 0.00 C ATOM 631 O ASP A 39 6.295 0.515 9.153 1.00 0.00 O ATOM 632 CB ASP A 39 7.942 -1.714 10.893 1.00 0.00 C ATOM 633 CG ASP A 39 7.993 -3.165 11.327 1.00 0.00 C ATOM 634 OD1 ASP A 39 8.744 -3.946 10.705 1.00 0.00 O ATOM 635 OD2 ASP A 39 7.281 -3.523 12.289 1.00 0.00 O ATOM 0 H ASP A 39 9.218 -2.618 8.989 1.00 0.00 H new ATOM 0 HA ASP A 39 6.484 -1.998 9.340 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.931 -1.270 11.003 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.271 -1.164 11.553 1.00 0.00 H new ATOM 640 N GLN A 40 8.504 0.523 8.724 1.00 0.00 N ATOM 641 CA GLN A 40 8.537 1.935 8.367 1.00 0.00 C ATOM 642 C GLN A 40 7.641 2.223 7.167 1.00 0.00 C ATOM 643 O GLN A 40 7.007 3.275 7.097 1.00 0.00 O ATOM 644 CB GLN A 40 9.970 2.386 8.075 1.00 0.00 C ATOM 645 CG GLN A 40 10.854 2.427 9.310 1.00 0.00 C ATOM 646 CD GLN A 40 12.246 2.968 9.036 1.00 0.00 C ATOM 647 OE1 GLN A 40 13.004 3.245 9.965 1.00 0.00 O ATOM 648 NE2 GLN A 40 12.608 3.100 7.760 1.00 0.00 N ATOM 0 H GLN A 40 9.406 0.051 8.667 1.00 0.00 H new ATOM 0 HA GLN A 40 8.158 2.500 9.219 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.413 1.711 7.343 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.946 3.377 7.622 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.375 3.044 10.070 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.937 1.421 9.722 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.952 2.860 7.016 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.541 3.441 7.527 1.00 0.00 H new ATOM 657 N GLN A 41 7.600 1.287 6.225 1.00 0.00 N ATOM 658 CA GLN A 41 6.788 1.443 5.021 1.00 0.00 C ATOM 659 C GLN A 41 5.343 1.773 5.381 1.00 0.00 C ATOM 660 O GLN A 41 4.688 1.021 6.102 1.00 0.00 O ATOM 661 CB GLN A 41 6.831 0.160 4.190 1.00 0.00 C ATOM 662 CG GLN A 41 8.216 -0.459 4.097 1.00 0.00 C ATOM 663 CD GLN A 41 9.230 0.445 3.429 1.00 0.00 C ATOM 664 OE1 GLN A 41 9.358 1.618 3.775 1.00 0.00 O ATOM 665 NE2 GLN A 41 9.975 -0.109 2.482 1.00 0.00 N ATOM 0 H GLN A 41 8.120 0.411 6.271 1.00 0.00 H new ATOM 0 HA GLN A 41 7.198 2.267 4.437 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.146 -0.568 4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.471 0.376 3.184 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.564 -0.706 5.100 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.152 -1.395 3.542 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.833 -1.087 2.228 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.690 0.443 2.008 1.00 0.00 H new ATOM 674 N ARG A 42 4.850 2.900 4.874 1.00 0.00 N ATOM 675 CA ARG A 42 3.485 3.320 5.143 1.00 0.00 C ATOM 676 C ARG A 42 2.525 2.800 4.083 1.00 0.00 C ATOM 677 O ARG A 42 2.673 3.111 2.902 1.00 0.00 O ATOM 678 CB ARG A 42 3.389 4.845 5.208 1.00 0.00 C ATOM 679 CG ARG A 42 4.144 5.465 6.369 1.00 0.00 C ATOM 680 CD ARG A 42 3.965 6.976 6.397 1.00 0.00 C ATOM 681 NE ARG A 42 2.562 7.359 6.529 1.00 0.00 N ATOM 682 CZ ARG A 42 2.141 8.619 6.552 1.00 0.00 C ATOM 683 NH1 ARG A 42 3.011 9.616 6.451 1.00 0.00 N ATOM 684 NH2 ARG A 42 0.847 8.886 6.674 1.00 0.00 N ATOM 0 H ARG A 42 5.378 3.536 4.276 1.00 0.00 H new ATOM 0 HA ARG A 42 3.203 2.899 6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.771 5.262 4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.339 5.129 5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.790 5.037 7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.204 5.223 6.288 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.534 7.393 7.228 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.374 7.406 5.483 1.00 0.00 H new ATOM 0 HE ARG A 42 1.866 6.617 6.608 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.007 9.416 6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.684 10.582 6.469 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.174 8.123 6.750 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.525 9.854 6.692 1.00 0.00 H new ATOM 698 N LEU A 43 1.529 2.031 4.505 1.00 0.00 N ATOM 699 CA LEU A 43 0.544 1.506 3.571 1.00 0.00 C ATOM 700 C LEU A 43 -0.521 2.557 3.293 1.00 0.00 C ATOM 701 O LEU A 43 -1.076 3.149 4.219 1.00 0.00 O ATOM 702 CB LEU A 43 -0.105 0.226 4.105 1.00 0.00 C ATOM 703 CG LEU A 43 0.860 -0.915 4.448 1.00 0.00 C ATOM 704 CD1 LEU A 43 0.122 -2.244 4.430 1.00 0.00 C ATOM 705 CD2 LEU A 43 2.028 -0.956 3.473 1.00 0.00 C ATOM 0 H LEU A 43 1.383 1.760 5.477 1.00 0.00 H new ATOM 0 HA LEU A 43 1.058 1.258 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.676 0.476 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.817 -0.135 3.363 1.00 0.00 H new ATOM 0 HG LEU A 43 1.256 -0.736 5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.815 -3.049 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.683 -2.223 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.296 -2.415 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.696 -1.775 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.652 -1.110 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.573 -0.013 3.518 1.00 0.00 H new ATOM 717 N ILE A 44 -0.795 2.796 2.017 1.00 0.00 N ATOM 718 CA ILE A 44 -1.786 3.788 1.623 1.00 0.00 C ATOM 719 C ILE A 44 -2.564 3.324 0.398 1.00 0.00 C ATOM 720 O ILE A 44 -1.997 2.731 -0.519 1.00 0.00 O ATOM 721 CB ILE A 44 -1.128 5.148 1.316 1.00 0.00 C ATOM 722 CG1 ILE A 44 -0.308 5.628 2.518 1.00 0.00 C ATOM 723 CG2 ILE A 44 -2.185 6.177 0.942 1.00 0.00 C ATOM 724 CD1 ILE A 44 0.443 6.916 2.264 1.00 0.00 C ATOM 0 H ILE A 44 -0.345 2.316 1.238 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.470 3.907 2.463 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.454 5.025 0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.974 5.768 3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.404 4.851 2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.704 7.132 0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.727 5.838 0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.883 6.300 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.001 7.194 3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.135 6.776 1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.265 7.707 2.017 1.00 0.00 H new ATOM 736 N PHE A 45 -3.865 3.597 0.392 1.00 0.00 N ATOM 737 CA PHE A 45 -4.728 3.210 -0.720 1.00 0.00 C ATOM 738 C PHE A 45 -5.651 4.362 -1.104 1.00 0.00 C ATOM 739 O PHE A 45 -6.177 5.056 -0.235 1.00 0.00 O ATOM 740 CB PHE A 45 -5.563 1.978 -0.353 1.00 0.00 C ATOM 741 CG PHE A 45 -4.744 0.773 0.021 1.00 0.00 C ATOM 742 CD1 PHE A 45 -4.130 0.692 1.259 1.00 0.00 C ATOM 743 CD2 PHE A 45 -4.586 -0.275 -0.872 1.00 0.00 C ATOM 744 CE1 PHE A 45 -3.373 -0.412 1.603 1.00 0.00 C ATOM 745 CE2 PHE A 45 -3.830 -1.382 -0.534 1.00 0.00 C ATOM 746 CZ PHE A 45 -3.223 -1.451 0.704 1.00 0.00 C ATOM 0 H PHE A 45 -4.346 4.086 1.147 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.093 2.964 -1.571 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.219 2.231 0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.204 1.721 -1.197 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.244 1.501 1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.058 -0.226 -1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.900 -0.463 2.572 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.714 -2.193 -1.238 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.632 -2.315 0.969 1.00 0.00 H new ATOM 756 N ALA A 46 -5.841 4.570 -2.405 1.00 0.00 N ATOM 757 CA ALA A 46 -6.701 5.651 -2.879 1.00 0.00 C ATOM 758 C ALA A 46 -7.378 5.290 -4.198 1.00 0.00 C ATOM 759 O ALA A 46 -6.759 4.710 -5.085 1.00 0.00 O ATOM 760 CB ALA A 46 -5.895 6.933 -3.033 1.00 0.00 C ATOM 0 H ALA A 46 -5.415 4.010 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.483 5.807 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.546 7.732 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.468 7.212 -2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.092 6.774 -3.753 1.00 0.00 H new ATOM 766 N GLY A 47 -8.657 5.636 -4.312 1.00 0.00 N ATOM 767 CA GLY A 47 -9.407 5.341 -5.521 1.00 0.00 C ATOM 768 C GLY A 47 -8.896 6.100 -6.734 1.00 0.00 C ATOM 769 O GLY A 47 -7.692 6.153 -6.983 1.00 0.00 O ATOM 0 H GLY A 47 -9.189 6.117 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.357 4.271 -5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.457 5.587 -5.360 1.00 0.00 H new ATOM 868 N MET B 1 -2.336 -4.830 11.402 1.00 0.00 N ATOM 869 CA MET B 1 -1.776 -3.492 11.239 1.00 0.00 C ATOM 870 C MET B 1 -2.690 -2.601 10.404 1.00 0.00 C ATOM 871 O MET B 1 -2.987 -2.901 9.249 1.00 0.00 O ATOM 872 CB MET B 1 -0.398 -3.570 10.580 1.00 0.00 C ATOM 873 CG MET B 1 -0.386 -4.382 9.294 1.00 0.00 C ATOM 874 SD MET B 1 1.151 -4.209 8.370 1.00 0.00 S ATOM 875 CE MET B 1 1.026 -2.505 7.833 1.00 0.00 C ATOM 0 H1 MET B 1 -1.627 -5.452 11.840 1.00 0.00 H new ATOM 0 H2 MET B 1 -3.178 -4.782 12.010 1.00 0.00 H new ATOM 0 H3 MET B 1 -2.602 -5.211 10.472 1.00 0.00 H new ATOM 0 HA MET B 1 -1.682 -3.053 12.232 1.00 0.00 H new ATOM 0 HB2 MET B 1 -0.049 -2.560 10.366 1.00 0.00 H new ATOM 0 HB3 MET B 1 0.309 -4.009 11.284 1.00 0.00 H new ATOM 0 HG2 MET B 1 -0.544 -5.434 9.533 1.00 0.00 H new ATOM 0 HG3 MET B 1 -1.219 -4.069 8.665 1.00 0.00 H new ATOM 0 HE1 MET B 1 1.726 -2.329 7.016 1.00 0.00 H new ATOM 0 HE2 MET B 1 0.011 -2.305 7.490 1.00 0.00 H new ATOM 0 HE3 MET B 1 1.265 -1.843 8.665 1.00 0.00 H new ATOM 885 N GLN B 2 -3.123 -1.496 11.003 1.00 0.00 N ATOM 886 CA GLN B 2 -3.992 -0.544 10.328 1.00 0.00 C ATOM 887 C GLN B 2 -3.301 0.060 9.110 1.00 0.00 C ATOM 888 O GLN B 2 -2.096 0.317 9.128 1.00 0.00 O ATOM 889 CB GLN B 2 -4.412 0.560 11.298 1.00 0.00 C ATOM 890 CG GLN B 2 -3.244 1.339 11.881 1.00 0.00 C ATOM 891 CD GLN B 2 -3.690 2.419 12.847 1.00 0.00 C ATOM 892 OE1 GLN B 2 -4.323 2.135 13.864 1.00 0.00 O ATOM 893 NE2 GLN B 2 -3.360 3.667 12.533 1.00 0.00 N ATOM 0 H GLN B 2 -2.883 -1.239 11.960 1.00 0.00 H new ATOM 0 HA GLN B 2 -4.880 -1.075 9.985 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -5.077 1.252 10.781 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -4.984 0.117 12.113 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -2.573 0.651 12.395 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -2.674 1.794 11.071 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -2.834 3.856 11.680 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -3.632 4.436 13.145 1.00 0.00 H new ATOM 902 N ILE B 3 -4.074 0.279 8.054 1.00 0.00 N ATOM 903 CA ILE B 3 -3.555 0.846 6.818 1.00 0.00 C ATOM 904 C ILE B 3 -4.230 2.176 6.509 1.00 0.00 C ATOM 905 O ILE B 3 -5.376 2.405 6.897 1.00 0.00 O ATOM 906 CB ILE B 3 -3.769 -0.110 5.623 1.00 0.00 C ATOM 907 CG1 ILE B 3 -5.262 -0.311 5.356 1.00 0.00 C ATOM 908 CG2 ILE B 3 -3.084 -1.443 5.881 1.00 0.00 C ATOM 909 CD1 ILE B 3 -5.552 -1.214 4.176 1.00 0.00 C ATOM 0 H ILE B 3 -5.072 0.070 8.031 1.00 0.00 H new ATOM 0 HA ILE B 3 -2.486 1.000 6.963 1.00 0.00 H new ATOM 0 HB ILE B 3 -3.322 0.339 4.736 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -5.728 -0.731 6.247 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -5.725 0.660 5.182 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -3.244 -2.105 5.030 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -2.015 -1.282 6.019 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -3.501 -1.899 6.779 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -6.630 -1.310 4.048 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -5.116 -0.785 3.274 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -5.119 -2.198 4.356 1.00 0.00 H new ATOM 921 N PHE B 4 -3.521 3.046 5.802 1.00 0.00 N ATOM 922 CA PHE B 4 -4.066 4.344 5.434 1.00 0.00 C ATOM 923 C PHE B 4 -4.832 4.223 4.125 1.00 0.00 C ATOM 924 O PHE B 4 -4.348 3.622 3.167 1.00 0.00 O ATOM 925 CB PHE B 4 -2.950 5.385 5.298 1.00 0.00 C ATOM 926 CG PHE B 4 -2.193 5.647 6.573 1.00 0.00 C ATOM 927 CD1 PHE B 4 -1.539 4.621 7.236 1.00 0.00 C ATOM 928 CD2 PHE B 4 -2.131 6.927 7.102 1.00 0.00 C ATOM 929 CE1 PHE B 4 -0.840 4.866 8.404 1.00 0.00 C ATOM 930 CE2 PHE B 4 -1.433 7.177 8.268 1.00 0.00 C ATOM 931 CZ PHE B 4 -0.787 6.145 8.920 1.00 0.00 C ATOM 0 H PHE B 4 -2.570 2.876 5.473 1.00 0.00 H new ATOM 0 HA PHE B 4 -4.744 4.674 6.221 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -2.248 5.051 4.534 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -3.383 6.322 4.946 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -1.576 3.618 6.836 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -2.634 7.738 6.597 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -0.336 4.057 8.912 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -1.393 8.179 8.669 1.00 0.00 H new ATOM 0 HZ PHE B 4 -0.241 6.338 9.832 1.00 0.00 H new ATOM 941 N VAL B 5 -6.038 4.776 4.093 1.00 0.00 N ATOM 942 CA VAL B 5 -6.876 4.703 2.903 1.00 0.00 C ATOM 943 C VAL B 5 -7.678 5.986 2.709 1.00 0.00 C ATOM 944 O VAL B 5 -7.960 6.708 3.665 1.00 0.00 O ATOM 945 CB VAL B 5 -7.850 3.506 2.977 1.00 0.00 C ATOM 946 CG1 VAL B 5 -8.676 3.399 1.704 1.00 0.00 C ATOM 947 CG2 VAL B 5 -7.094 2.210 3.235 1.00 0.00 C ATOM 0 H VAL B 5 -6.457 5.279 4.875 1.00 0.00 H new ATOM 0 HA VAL B 5 -6.206 4.569 2.053 1.00 0.00 H new ATOM 0 HB VAL B 5 -8.531 3.677 3.811 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -9.354 2.549 1.781 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -9.254 4.313 1.567 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -8.013 3.258 0.851 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -7.800 1.381 3.283 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -6.384 2.036 2.427 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -6.556 2.284 4.180 1.00 0.00 H new ATOM 957 N LYS B 6 -8.045 6.254 1.461 1.00 0.00 N ATOM 958 CA LYS B 6 -8.825 7.437 1.122 1.00 0.00 C ATOM 959 C LYS B 6 -9.889 7.087 0.088 1.00 0.00 C ATOM 960 O LYS B 6 -9.577 6.576 -0.989 1.00 0.00 O ATOM 961 CB LYS B 6 -7.921 8.546 0.575 1.00 0.00 C ATOM 962 CG LYS B 6 -6.833 8.995 1.537 1.00 0.00 C ATOM 963 CD LYS B 6 -6.125 10.240 1.024 1.00 0.00 C ATOM 964 CE LYS B 6 -5.015 10.692 1.960 1.00 0.00 C ATOM 965 NZ LYS B 6 -3.839 9.781 1.915 1.00 0.00 N ATOM 0 H LYS B 6 -7.813 5.663 0.663 1.00 0.00 H new ATOM 0 HA LYS B 6 -9.309 7.796 2.030 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -7.454 8.197 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -8.538 9.406 0.314 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -7.270 9.199 2.515 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -6.109 8.191 1.672 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -5.707 10.039 0.037 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -6.849 11.046 0.905 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -4.702 11.701 1.690 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -5.398 10.739 2.979 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -3.087 10.154 2.529 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -4.119 8.836 2.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -3.488 9.716 0.938 1.00 0.00 H new ATOM 979 N THR B 7 -11.147 7.358 0.421 1.00 0.00 N ATOM 980 CA THR B 7 -12.255 7.066 -0.482 1.00 0.00 C ATOM 981 C THR B 7 -12.280 8.040 -1.657 1.00 0.00 C ATOM 982 O THR B 7 -11.260 8.637 -2.003 1.00 0.00 O ATOM 983 CB THR B 7 -13.608 7.129 0.250 1.00 0.00 C ATOM 984 OG1 THR B 7 -13.866 8.467 0.690 1.00 0.00 O ATOM 985 CG2 THR B 7 -13.623 6.188 1.445 1.00 0.00 C ATOM 0 H THR B 7 -11.424 7.779 1.308 1.00 0.00 H new ATOM 0 HA THR B 7 -12.099 6.054 -0.856 1.00 0.00 H new ATOM 0 HB THR B 7 -14.386 6.819 -0.447 1.00 0.00 H new ATOM 0 HG1 THR B 7 -14.729 8.498 1.153 1.00 0.00 H new ATOM 0 HG21 THR B 7 -14.589 6.251 1.945 1.00 0.00 H new ATOM 0 HG22 THR B 7 -13.456 5.166 1.105 1.00 0.00 H new ATOM 0 HG23 THR B 7 -12.834 6.472 2.142 1.00 0.00 H new ATOM 993 N LEU B 8 -13.454 8.197 -2.262 1.00 0.00 N ATOM 994 CA LEU B 8 -13.618 9.100 -3.394 1.00 0.00 C ATOM 995 C LEU B 8 -13.362 10.546 -2.977 1.00 0.00 C ATOM 996 O LEU B 8 -12.584 11.257 -3.615 1.00 0.00 O ATOM 997 CB LEU B 8 -15.030 8.971 -3.977 1.00 0.00 C ATOM 998 CG LEU B 8 -15.314 7.683 -4.761 1.00 0.00 C ATOM 999 CD1 LEU B 8 -15.034 6.451 -3.920 1.00 0.00 C ATOM 1000 CD2 LEU B 8 -16.756 7.663 -5.233 1.00 0.00 C ATOM 0 H LEU B 8 -14.306 7.709 -1.986 1.00 0.00 H new ATOM 0 HA LEU B 8 -12.889 8.823 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -15.748 9.042 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -15.210 9.821 -4.635 1.00 0.00 H new ATOM 0 HG LEU B 8 -14.649 7.666 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -15.245 5.556 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -13.987 6.448 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -15.668 6.464 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -16.944 6.744 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -17.422 7.709 -4.371 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -16.939 8.521 -5.880 1.00 0.00 H new ATOM 1012 N THR B 9 -14.021 10.974 -1.905 1.00 0.00 N ATOM 1013 CA THR B 9 -13.864 12.335 -1.402 1.00 0.00 C ATOM 1014 C THR B 9 -12.626 12.461 -0.518 1.00 0.00 C ATOM 1015 O THR B 9 -12.578 13.295 0.387 1.00 0.00 O ATOM 1016 CB THR B 9 -15.107 12.780 -0.605 1.00 0.00 C ATOM 1017 OG1 THR B 9 -14.942 14.128 -0.148 1.00 0.00 O ATOM 1018 CG2 THR B 9 -15.345 11.861 0.584 1.00 0.00 C ATOM 0 H THR B 9 -14.669 10.398 -1.367 1.00 0.00 H new ATOM 0 HA THR B 9 -13.746 12.984 -2.270 1.00 0.00 H new ATOM 0 HB THR B 9 -15.972 12.725 -1.265 1.00 0.00 H new ATOM 0 HG1 THR B 9 -14.085 14.212 0.321 1.00 0.00 H new ATOM 0 HG21 THR B 9 -16.227 12.195 1.131 1.00 0.00 H new ATOM 0 HG22 THR B 9 -15.501 10.842 0.231 1.00 0.00 H new ATOM 0 HG23 THR B 9 -14.478 11.887 1.244 1.00 0.00 H new ATOM 1026 N GLY B 10 -11.624 11.631 -0.789 1.00 0.00 N ATOM 1027 CA GLY B 10 -10.397 11.661 -0.016 1.00 0.00 C ATOM 1028 C GLY B 10 -10.642 11.475 1.467 1.00 0.00 C ATOM 1029 O GLY B 10 -9.969 12.086 2.297 1.00 0.00 O ATOM 0 H GLY B 10 -11.641 10.935 -1.534 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -9.728 10.877 -0.372 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -9.890 12.612 -0.181 1.00 0.00 H new ATOM 1033 N LYS B 11 -11.611 10.628 1.801 1.00 0.00 N ATOM 1034 CA LYS B 11 -11.944 10.363 3.194 1.00 0.00 C ATOM 1035 C LYS B 11 -10.884 9.488 3.852 1.00 0.00 C ATOM 1036 O LYS B 11 -10.538 8.428 3.336 1.00 0.00 O ATOM 1037 CB LYS B 11 -13.303 9.673 3.298 1.00 0.00 C ATOM 1038 CG LYS B 11 -13.694 9.309 4.722 1.00 0.00 C ATOM 1039 CD LYS B 11 -14.900 8.384 4.756 1.00 0.00 C ATOM 1040 CE LYS B 11 -16.119 9.024 4.112 1.00 0.00 C ATOM 1041 NZ LYS B 11 -16.517 10.283 4.801 1.00 0.00 N ATOM 0 H LYS B 11 -12.178 10.115 1.126 1.00 0.00 H new ATOM 0 HA LYS B 11 -11.983 11.321 3.712 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -14.066 10.327 2.877 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -13.289 8.768 2.691 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -12.852 8.827 5.219 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -13.917 10.218 5.282 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -14.661 7.455 4.238 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -15.129 8.123 5.789 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -15.906 9.236 3.064 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -16.951 8.321 4.133 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -17.442 10.597 4.444 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -16.580 10.113 5.825 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -15.807 11.020 4.616 1.00 0.00 H new ATOM 1055 N THR B 12 -10.384 9.926 5.002 1.00 0.00 N ATOM 1056 CA THR B 12 -9.379 9.161 5.726 1.00 0.00 C ATOM 1057 C THR B 12 -10.009 7.933 6.369 1.00 0.00 C ATOM 1058 O THR B 12 -11.053 8.026 7.015 1.00 0.00 O ATOM 1059 CB THR B 12 -8.698 10.010 6.816 1.00 0.00 C ATOM 1060 OG1 THR B 12 -8.102 11.173 6.231 1.00 0.00 O ATOM 1061 CG2 THR B 12 -7.633 9.204 7.545 1.00 0.00 C ATOM 0 H THR B 12 -10.657 10.801 5.450 1.00 0.00 H new ATOM 0 HA THR B 12 -8.623 8.853 5.004 1.00 0.00 H new ATOM 0 HB THR B 12 -9.459 10.313 7.535 1.00 0.00 H new ATOM 0 HG1 THR B 12 -7.673 11.708 6.931 1.00 0.00 H new ATOM 0 HG21 THR B 12 -7.167 9.825 8.310 1.00 0.00 H new ATOM 0 HG22 THR B 12 -8.093 8.334 8.015 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.876 8.874 6.834 1.00 0.00 H new ATOM 1069 N ILE B 13 -9.378 6.781 6.181 1.00 0.00 N ATOM 1070 CA ILE B 13 -9.891 5.535 6.738 1.00 0.00 C ATOM 1071 C ILE B 13 -8.768 4.602 7.168 1.00 0.00 C ATOM 1072 O ILE B 13 -7.783 4.414 6.454 1.00 0.00 O ATOM 1073 CB ILE B 13 -10.812 4.806 5.735 1.00 0.00 C ATOM 1074 CG1 ILE B 13 -10.733 3.286 5.927 1.00 0.00 C ATOM 1075 CG2 ILE B 13 -10.468 5.193 4.305 1.00 0.00 C ATOM 1076 CD1 ILE B 13 -11.378 2.491 4.809 1.00 0.00 C ATOM 0 H ILE B 13 -8.513 6.683 5.649 1.00 0.00 H new ATOM 0 HA ILE B 13 -10.472 5.806 7.620 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.839 5.117 5.930 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -9.686 2.994 6.010 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -11.213 3.023 6.870 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -11.130 4.667 3.617 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.594 6.268 4.179 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -9.434 4.921 4.093 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -11.281 1.426 5.017 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -12.434 2.752 4.739 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -10.884 2.723 3.866 1.00 0.00 H new ATOM 1088 N THR B 14 -8.947 4.010 8.341 1.00 0.00 N ATOM 1089 CA THR B 14 -7.978 3.074 8.893 1.00 0.00 C ATOM 1090 C THR B 14 -8.457 1.642 8.676 1.00 0.00 C ATOM 1091 O THR B 14 -9.660 1.383 8.674 1.00 0.00 O ATOM 1092 CB THR B 14 -7.761 3.315 10.397 1.00 0.00 C ATOM 1093 OG1 THR B 14 -8.285 4.596 10.767 1.00 0.00 O ATOM 1094 CG2 THR B 14 -6.282 3.263 10.742 1.00 0.00 C ATOM 0 H THR B 14 -9.763 4.164 8.933 1.00 0.00 H new ATOM 0 HA THR B 14 -7.031 3.231 8.378 1.00 0.00 H new ATOM 0 HB THR B 14 -8.281 2.530 10.946 1.00 0.00 H new ATOM 0 HG1 THR B 14 -8.145 4.742 11.726 1.00 0.00 H new ATOM 0 HG21 THR B 14 -6.151 3.436 11.810 1.00 0.00 H new ATOM 0 HG22 THR B 14 -5.882 2.283 10.481 1.00 0.00 H new ATOM 0 HG23 THR B 14 -5.751 4.033 10.182 1.00 0.00 H new ATOM 1102 N LEU B 15 -7.526 0.716 8.478 1.00 0.00 N ATOM 1103 CA LEU B 15 -7.896 -0.677 8.246 1.00 0.00 C ATOM 1104 C LEU B 15 -6.740 -1.620 8.589 1.00 0.00 C ATOM 1105 O LEU B 15 -5.701 -1.616 7.934 1.00 0.00 O ATOM 1106 CB LEU B 15 -8.317 -0.830 6.775 1.00 0.00 C ATOM 1107 CG LEU B 15 -8.887 -2.191 6.360 1.00 0.00 C ATOM 1108 CD1 LEU B 15 -9.401 -2.127 4.931 1.00 0.00 C ATOM 1109 CD2 LEU B 15 -7.841 -3.281 6.485 1.00 0.00 C ATOM 0 H LEU B 15 -6.523 0.899 8.473 1.00 0.00 H new ATOM 0 HA LEU B 15 -8.728 -0.947 8.896 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.063 -0.067 6.553 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -7.450 -0.619 6.149 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.713 -2.432 7.030 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -9.804 -3.099 4.645 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -10.186 -1.374 4.860 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -8.583 -1.863 4.261 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.273 -4.236 6.184 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -6.993 -3.047 5.841 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -7.504 -3.345 7.520 1.00 0.00 H new ATOM 1121 N GLU B 16 -6.935 -2.438 9.618 1.00 0.00 N ATOM 1122 CA GLU B 16 -5.917 -3.389 10.051 1.00 0.00 C ATOM 1123 C GLU B 16 -5.957 -4.678 9.227 1.00 0.00 C ATOM 1124 O GLU B 16 -7.023 -5.248 8.998 1.00 0.00 O ATOM 1125 CB GLU B 16 -6.100 -3.707 11.538 1.00 0.00 C ATOM 1126 CG GLU B 16 -7.453 -4.315 11.869 1.00 0.00 C ATOM 1127 CD GLU B 16 -7.613 -4.623 13.345 1.00 0.00 C ATOM 1128 OE1 GLU B 16 -6.664 -4.363 14.114 1.00 0.00 O ATOM 1129 OE2 GLU B 16 -8.689 -5.126 13.733 1.00 0.00 O ATOM 0 H GLU B 16 -7.793 -2.461 10.170 1.00 0.00 H new ATOM 0 HA GLU B 16 -4.942 -2.929 9.894 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -5.315 -4.395 11.853 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -5.972 -2.791 12.115 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -8.241 -3.629 11.558 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -7.585 -5.232 11.295 1.00 0.00 H new ATOM 1136 N VAL B 17 -4.777 -5.132 8.802 1.00 0.00 N ATOM 1137 CA VAL B 17 -4.641 -6.359 8.015 1.00 0.00 C ATOM 1138 C VAL B 17 -3.219 -6.901 8.099 1.00 0.00 C ATOM 1139 O VAL B 17 -2.253 -6.155 7.955 1.00 0.00 O ATOM 1140 CB VAL B 17 -5.002 -6.147 6.529 1.00 0.00 C ATOM 1141 CG1 VAL B 17 -6.505 -6.195 6.325 1.00 0.00 C ATOM 1142 CG2 VAL B 17 -4.433 -4.830 6.022 1.00 0.00 C ATOM 0 H VAL B 17 -3.892 -4.662 8.992 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.342 -7.076 8.443 1.00 0.00 H new ATOM 0 HB VAL B 17 -4.557 -6.958 5.953 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -6.734 -6.043 5.270 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -6.884 -7.166 6.642 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.978 -5.410 6.916 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -4.698 -4.699 4.973 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.845 -4.007 6.606 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -3.348 -4.839 6.123 1.00 0.00 H new ATOM 1152 N GLU B 18 -3.100 -8.203 8.340 1.00 0.00 N ATOM 1153 CA GLU B 18 -1.794 -8.847 8.454 1.00 0.00 C ATOM 1154 C GLU B 18 -0.946 -8.614 7.204 1.00 0.00 C ATOM 1155 O GLU B 18 -1.457 -8.634 6.086 1.00 0.00 O ATOM 1156 CB GLU B 18 -1.962 -10.348 8.702 1.00 0.00 C ATOM 1157 CG GLU B 18 -2.781 -11.055 7.636 1.00 0.00 C ATOM 1158 CD GLU B 18 -2.909 -12.544 7.890 1.00 0.00 C ATOM 1159 OE1 GLU B 18 -1.871 -13.238 7.885 1.00 0.00 O ATOM 1160 OE2 GLU B 18 -4.046 -13.015 8.099 1.00 0.00 O ATOM 0 H GLU B 18 -3.892 -8.834 8.460 1.00 0.00 H new ATOM 0 HA GLU B 18 -1.275 -8.400 9.302 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.977 -10.811 8.757 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -2.438 -10.496 9.671 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -3.775 -10.611 7.593 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -2.318 -10.895 6.662 1.00 0.00 H new ATOM 1167 N PRO B 19 0.368 -8.391 7.384 1.00 0.00 N ATOM 1168 CA PRO B 19 1.297 -8.156 6.272 1.00 0.00 C ATOM 1169 C PRO B 19 1.302 -9.306 5.275 1.00 0.00 C ATOM 1170 O PRO B 19 1.405 -9.095 4.066 1.00 0.00 O ATOM 1171 CB PRO B 19 2.665 -8.047 6.957 1.00 0.00 C ATOM 1172 CG PRO B 19 2.478 -8.646 8.305 1.00 0.00 C ATOM 1173 CD PRO B 19 1.060 -8.351 8.681 1.00 0.00 C ATOM 0 HA PRO B 19 1.022 -7.272 5.697 1.00 0.00 H new ATOM 0 HB2 PRO B 19 3.431 -8.579 6.393 1.00 0.00 H new ATOM 0 HB3 PRO B 19 2.987 -7.008 7.029 1.00 0.00 H new ATOM 0 HG2 PRO B 19 2.664 -9.720 8.286 1.00 0.00 H new ATOM 0 HG3 PRO B 19 3.173 -8.215 9.026 1.00 0.00 H new ATOM 0 HD2 PRO B 19 0.663 -9.091 9.375 1.00 0.00 H new ATOM 0 HD3 PRO B 19 0.963 -7.378 9.162 1.00 0.00 H new ATOM 1181 N SER B 20 1.197 -10.523 5.792 1.00 0.00 N ATOM 1182 CA SER B 20 1.195 -11.713 4.954 1.00 0.00 C ATOM 1183 C SER B 20 -0.020 -11.722 4.033 1.00 0.00 C ATOM 1184 O SER B 20 -0.005 -12.352 2.975 1.00 0.00 O ATOM 1185 CB SER B 20 1.206 -12.972 5.821 1.00 0.00 C ATOM 1186 OG SER B 20 2.341 -12.997 6.670 1.00 0.00 O ATOM 0 H SER B 20 1.112 -10.711 6.791 1.00 0.00 H new ATOM 0 HA SER B 20 2.095 -11.699 4.339 1.00 0.00 H new ATOM 0 HB2 SER B 20 0.298 -13.011 6.422 1.00 0.00 H new ATOM 0 HB3 SER B 20 1.205 -13.856 5.184 1.00 0.00 H new ATOM 0 HG SER B 20 3.155 -12.922 6.130 1.00 0.00 H new ATOM 1192 N ASP B 21 -1.072 -11.021 4.442 1.00 0.00 N ATOM 1193 CA ASP B 21 -2.294 -10.949 3.648 1.00 0.00 C ATOM 1194 C ASP B 21 -2.003 -10.368 2.267 1.00 0.00 C ATOM 1195 O ASP B 21 -1.308 -9.359 2.141 1.00 0.00 O ATOM 1196 CB ASP B 21 -3.346 -10.099 4.364 1.00 0.00 C ATOM 1197 CG ASP B 21 -4.692 -10.130 3.667 1.00 0.00 C ATOM 1198 OD1 ASP B 21 -4.811 -10.824 2.637 1.00 0.00 O ATOM 1199 OD2 ASP B 21 -5.628 -9.462 4.153 1.00 0.00 O ATOM 0 H ASP B 21 -1.104 -10.496 5.316 1.00 0.00 H new ATOM 0 HA ASP B 21 -2.682 -11.960 3.526 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -3.462 -10.457 5.387 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -2.996 -9.069 4.425 1.00 0.00 H new ATOM 1204 N THR B 22 -2.534 -11.016 1.235 1.00 0.00 N ATOM 1205 CA THR B 22 -2.330 -10.572 -0.139 1.00 0.00 C ATOM 1206 C THR B 22 -2.951 -9.201 -0.385 1.00 0.00 C ATOM 1207 O THR B 22 -3.979 -8.859 0.200 1.00 0.00 O ATOM 1208 CB THR B 22 -2.919 -11.577 -1.145 1.00 0.00 C ATOM 1209 OG1 THR B 22 -4.318 -11.752 -0.902 1.00 0.00 O ATOM 1210 CG2 THR B 22 -2.211 -12.917 -1.042 1.00 0.00 C ATOM 0 H THR B 22 -3.110 -11.853 1.325 1.00 0.00 H new ATOM 0 HA THR B 22 -1.252 -10.504 -0.287 1.00 0.00 H new ATOM 0 HB THR B 22 -2.773 -11.181 -2.150 1.00 0.00 H new ATOM 0 HG1 THR B 22 -4.681 -12.404 -1.537 1.00 0.00 H new ATOM 0 HG21 THR B 22 -2.643 -13.613 -1.761 1.00 0.00 H new ATOM 0 HG22 THR B 22 -1.150 -12.785 -1.256 1.00 0.00 H new ATOM 0 HG23 THR B 22 -2.331 -13.316 -0.035 1.00 0.00 H new ATOM 1218 N ILE B 23 -2.314 -8.422 -1.254 1.00 0.00 N ATOM 1219 CA ILE B 23 -2.792 -7.084 -1.585 1.00 0.00 C ATOM 1220 C ILE B 23 -4.234 -7.119 -2.090 1.00 0.00 C ATOM 1221 O ILE B 23 -5.024 -6.223 -1.804 1.00 0.00 O ATOM 1222 CB ILE B 23 -1.902 -6.416 -2.655 1.00 0.00 C ATOM 1223 CG1 ILE B 23 -0.445 -6.373 -2.187 1.00 0.00 C ATOM 1224 CG2 ILE B 23 -2.406 -5.011 -2.960 1.00 0.00 C ATOM 1225 CD1 ILE B 23 0.503 -5.767 -3.202 1.00 0.00 C ATOM 0 H ILE B 23 -1.462 -8.696 -1.743 1.00 0.00 H new ATOM 0 HA ILE B 23 -2.747 -6.499 -0.666 1.00 0.00 H new ATOM 0 HB ILE B 23 -1.953 -7.008 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -0.387 -5.800 -1.261 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -0.117 -7.386 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -1.769 -4.552 -3.716 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.429 -5.064 -3.331 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -2.381 -4.410 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.516 -5.770 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE B 23 0.475 -6.352 -4.121 1.00 0.00 H new ATOM 0 HD13 ILE B 23 0.201 -4.742 -3.415 1.00 0.00 H new ATOM 1237 N GLU B 24 -4.569 -8.158 -2.847 1.00 0.00 N ATOM 1238 CA GLU B 24 -5.914 -8.302 -3.392 1.00 0.00 C ATOM 1239 C GLU B 24 -6.964 -8.327 -2.283 1.00 0.00 C ATOM 1240 O GLU B 24 -8.064 -7.800 -2.447 1.00 0.00 O ATOM 1241 CB GLU B 24 -6.013 -9.573 -4.238 1.00 0.00 C ATOM 1242 CG GLU B 24 -5.696 -10.845 -3.469 1.00 0.00 C ATOM 1243 CD GLU B 24 -5.804 -12.089 -4.329 1.00 0.00 C ATOM 1244 OE1 GLU B 24 -6.904 -12.351 -4.860 1.00 0.00 O ATOM 1245 OE2 GLU B 24 -4.788 -12.801 -4.472 1.00 0.00 O ATOM 0 H GLU B 24 -3.929 -8.912 -3.097 1.00 0.00 H new ATOM 0 HA GLU B 24 -6.111 -7.436 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -7.020 -9.648 -4.648 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -5.330 -9.490 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -4.688 -10.777 -3.061 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -6.377 -10.933 -2.623 1.00 0.00 H new ATOM 1252 N ASN B 25 -6.621 -8.947 -1.157 1.00 0.00 N ATOM 1253 CA ASN B 25 -7.540 -9.044 -0.027 1.00 0.00 C ATOM 1254 C ASN B 25 -7.661 -7.718 0.717 1.00 0.00 C ATOM 1255 O ASN B 25 -8.769 -7.259 0.996 1.00 0.00 O ATOM 1256 CB ASN B 25 -7.087 -10.140 0.935 1.00 0.00 C ATOM 1257 CG ASN B 25 -7.273 -11.530 0.359 1.00 0.00 C ATOM 1258 OD1 ASN B 25 -6.803 -11.829 -0.737 1.00 0.00 O ATOM 1259 ND2 ASN B 25 -7.959 -12.390 1.101 1.00 0.00 N ATOM 0 H ASN B 25 -5.715 -9.389 -1.003 1.00 0.00 H new ATOM 0 HA ASN B 25 -8.522 -9.297 -0.426 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -6.036 -9.990 1.183 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -7.649 -10.057 1.865 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -8.114 -13.341 0.767 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -8.332 -12.100 2.005 1.00 0.00 H new ATOM 1266 N VAL B 26 -6.524 -7.107 1.043 1.00 0.00 N ATOM 1267 CA VAL B 26 -6.529 -5.839 1.762 1.00 0.00 C ATOM 1268 C VAL B 26 -7.364 -4.795 1.025 1.00 0.00 C ATOM 1269 O VAL B 26 -8.125 -4.050 1.643 1.00 0.00 O ATOM 1270 CB VAL B 26 -5.102 -5.298 1.989 1.00 0.00 C ATOM 1271 CG1 VAL B 26 -4.287 -6.272 2.827 1.00 0.00 C ATOM 1272 CG2 VAL B 26 -4.407 -5.009 0.669 1.00 0.00 C ATOM 0 H VAL B 26 -5.596 -7.467 0.822 1.00 0.00 H new ATOM 0 HA VAL B 26 -6.977 -6.033 2.737 1.00 0.00 H new ATOM 0 HB VAL B 26 -5.182 -4.358 2.535 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -3.284 -5.873 2.976 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -4.769 -6.412 3.794 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -4.223 -7.230 2.312 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -3.404 -4.629 0.862 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -4.342 -5.926 0.084 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -4.977 -4.264 0.113 1.00 0.00 H new ATOM 1282 N LYS B 27 -7.230 -4.752 -0.299 1.00 0.00 N ATOM 1283 CA LYS B 27 -7.991 -3.807 -1.110 1.00 0.00 C ATOM 1284 C LYS B 27 -9.466 -4.195 -1.135 1.00 0.00 C ATOM 1285 O LYS B 27 -10.346 -3.336 -1.107 1.00 0.00 O ATOM 1286 CB LYS B 27 -7.447 -3.750 -2.541 1.00 0.00 C ATOM 1287 CG LYS B 27 -5.982 -3.348 -2.631 1.00 0.00 C ATOM 1288 CD LYS B 27 -5.568 -3.054 -4.067 1.00 0.00 C ATOM 1289 CE LYS B 27 -5.802 -4.247 -4.983 1.00 0.00 C ATOM 1290 NZ LYS B 27 -5.003 -5.433 -4.570 1.00 0.00 N ATOM 0 H LYS B 27 -6.604 -5.358 -0.830 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.888 -2.820 -0.659 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -7.574 -4.728 -3.006 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -8.043 -3.043 -3.117 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.807 -2.467 -2.014 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.360 -4.147 -2.229 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -6.129 -2.196 -4.438 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -4.513 -2.779 -4.091 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -6.861 -4.504 -4.979 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -5.544 -3.974 -6.006 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.314 -6.266 -5.109 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -3.996 -5.256 -4.758 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -5.140 -5.607 -3.554 1.00 0.00 H new ATOM 1304 N ALA B 28 -9.722 -5.498 -1.196 1.00 0.00 N ATOM 1305 CA ALA B 28 -11.085 -6.017 -1.232 1.00 0.00 C ATOM 1306 C ALA B 28 -11.894 -5.546 -0.027 1.00 0.00 C ATOM 1307 O ALA B 28 -13.075 -5.223 -0.150 1.00 0.00 O ATOM 1308 CB ALA B 28 -11.067 -7.536 -1.299 1.00 0.00 C ATOM 0 H ALA B 28 -8.999 -6.217 -1.222 1.00 0.00 H new ATOM 0 HA ALA B 28 -11.569 -5.628 -2.128 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -12.090 -7.911 -1.325 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -10.540 -7.854 -2.199 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -10.558 -7.933 -0.421 1.00 0.00 H new ATOM 1314 N LYS B 29 -11.250 -5.500 1.136 1.00 0.00 N ATOM 1315 CA LYS B 29 -11.909 -5.059 2.355 1.00 0.00 C ATOM 1316 C LYS B 29 -12.264 -3.592 2.233 1.00 0.00 C ATOM 1317 O LYS B 29 -13.322 -3.155 2.684 1.00 0.00 O ATOM 1318 CB LYS B 29 -11.001 -5.288 3.563 1.00 0.00 C ATOM 1319 CG LYS B 29 -10.421 -6.689 3.609 1.00 0.00 C ATOM 1320 CD LYS B 29 -9.622 -6.928 4.879 1.00 0.00 C ATOM 1321 CE LYS B 29 -9.091 -8.352 4.940 1.00 0.00 C ATOM 1322 NZ LYS B 29 -8.354 -8.618 6.207 1.00 0.00 N ATOM 0 H LYS B 29 -10.272 -5.763 1.257 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.821 -5.638 2.499 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.187 -4.564 3.541 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.567 -5.104 4.476 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.228 -7.419 3.545 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -9.780 -6.846 2.741 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -8.790 -6.225 4.925 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.251 -6.735 5.748 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -9.921 -9.053 4.849 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -8.430 -8.529 4.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -7.337 -8.702 6.006 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -8.512 -7.834 6.872 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -8.698 -9.504 6.629 1.00 0.00 H new ATOM 1336 N ILE B 30 -11.375 -2.844 1.595 1.00 0.00 N ATOM 1337 CA ILE B 30 -11.587 -1.428 1.376 1.00 0.00 C ATOM 1338 C ILE B 30 -12.888 -1.217 0.607 1.00 0.00 C ATOM 1339 O ILE B 30 -13.591 -0.229 0.814 1.00 0.00 O ATOM 1340 CB ILE B 30 -10.410 -0.804 0.606 1.00 0.00 C ATOM 1341 CG1 ILE B 30 -9.105 -1.018 1.375 1.00 0.00 C ATOM 1342 CG2 ILE B 30 -10.655 0.681 0.371 1.00 0.00 C ATOM 1343 CD1 ILE B 30 -7.882 -0.487 0.659 1.00 0.00 C ATOM 0 H ILE B 30 -10.496 -3.201 1.220 1.00 0.00 H new ATOM 0 HA ILE B 30 -11.654 -0.935 2.346 1.00 0.00 H new ATOM 0 HB ILE B 30 -10.327 -1.295 -0.364 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -9.184 -0.534 2.348 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -8.973 -2.084 1.559 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -9.813 1.107 -0.175 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -11.568 0.812 -0.210 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -10.760 1.189 1.330 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -6.996 -0.675 1.265 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -7.777 -0.989 -0.303 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -7.991 0.586 0.499 1.00 0.00 H new ATOM 1355 N GLN B 31 -13.218 -2.178 -0.258 1.00 0.00 N ATOM 1356 CA GLN B 31 -14.452 -2.120 -1.028 1.00 0.00 C ATOM 1357 C GLN B 31 -15.625 -2.127 -0.066 1.00 0.00 C ATOM 1358 O GLN B 31 -16.539 -1.312 -0.171 1.00 0.00 O ATOM 1359 CB GLN B 31 -14.556 -3.315 -1.977 1.00 0.00 C ATOM 1360 CG GLN B 31 -13.378 -3.451 -2.926 1.00 0.00 C ATOM 1361 CD GLN B 31 -13.490 -4.665 -3.831 1.00 0.00 C ATOM 1362 OE1 GLN B 31 -12.597 -4.937 -4.628 1.00 0.00 O ATOM 1363 NE2 GLN B 31 -14.591 -5.402 -3.716 1.00 0.00 N ATOM 0 H GLN B 31 -12.646 -3.003 -0.439 1.00 0.00 H new ATOM 0 HA GLN B 31 -14.459 -1.209 -1.627 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -14.643 -4.228 -1.388 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -15.472 -3.224 -2.561 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -13.305 -2.552 -3.538 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -12.457 -3.518 -2.347 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -15.310 -5.142 -3.041 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -14.716 -6.227 -4.303 1.00 0.00 H new ATOM 1372 N ASP B 32 -15.566 -3.040 0.898 1.00 0.00 N ATOM 1373 CA ASP B 32 -16.596 -3.137 1.913 1.00 0.00 C ATOM 1374 C ASP B 32 -16.564 -1.870 2.752 1.00 0.00 C ATOM 1375 O ASP B 32 -17.592 -1.370 3.208 1.00 0.00 O ATOM 1376 CB ASP B 32 -16.375 -4.368 2.794 1.00 0.00 C ATOM 1377 CG ASP B 32 -17.421 -4.499 3.882 1.00 0.00 C ATOM 1378 OD1 ASP B 32 -18.623 -4.552 3.547 1.00 0.00 O ATOM 1379 OD2 ASP B 32 -17.040 -4.553 5.069 1.00 0.00 O ATOM 0 H ASP B 32 -14.813 -3.722 0.993 1.00 0.00 H new ATOM 0 HA ASP B 32 -17.571 -3.244 1.437 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -16.389 -5.263 2.172 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -15.387 -4.312 3.250 1.00 0.00 H new ATOM 1384 N LYS B 33 -15.352 -1.353 2.918 1.00 0.00 N ATOM 1385 CA LYS B 33 -15.110 -0.132 3.666 1.00 0.00 C ATOM 1386 C LYS B 33 -15.680 1.072 2.920 1.00 0.00 C ATOM 1387 O LYS B 33 -15.883 2.138 3.501 1.00 0.00 O ATOM 1388 CB LYS B 33 -13.604 0.040 3.890 1.00 0.00 C ATOM 1389 CG LYS B 33 -13.016 -0.941 4.894 1.00 0.00 C ATOM 1390 CD LYS B 33 -13.480 -0.644 6.309 1.00 0.00 C ATOM 1391 CE LYS B 33 -12.851 -1.597 7.312 1.00 0.00 C ATOM 1392 NZ LYS B 33 -13.353 -1.359 8.693 1.00 0.00 N ATOM 0 H LYS B 33 -14.506 -1.774 2.534 1.00 0.00 H new ATOM 0 HA LYS B 33 -15.609 -0.200 4.633 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -13.089 -0.078 2.937 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -13.411 1.056 4.233 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -13.305 -1.956 4.622 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -11.928 -0.897 4.851 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -13.222 0.383 6.570 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -14.566 -0.723 6.361 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -13.065 -2.625 7.020 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -11.767 -1.480 7.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -12.900 -2.029 9.347 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -13.126 -0.386 8.982 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -14.384 -1.496 8.716 1.00 0.00 H new ATOM 1406 N GLU B 34 -15.934 0.888 1.626 1.00 0.00 N ATOM 1407 CA GLU B 34 -16.480 1.949 0.788 1.00 0.00 C ATOM 1408 C GLU B 34 -17.174 1.364 -0.443 1.00 0.00 C ATOM 1409 O GLU B 34 -18.369 1.069 -0.407 1.00 0.00 O ATOM 1410 CB GLU B 34 -15.368 2.913 0.360 1.00 0.00 C ATOM 1411 CG GLU B 34 -15.846 4.045 -0.538 1.00 0.00 C ATOM 1412 CD GLU B 34 -16.843 4.962 0.147 1.00 0.00 C ATOM 1413 OE1 GLU B 34 -17.907 4.471 0.578 1.00 0.00 O ATOM 1414 OE2 GLU B 34 -16.561 6.174 0.248 1.00 0.00 O ATOM 0 H GLU B 34 -15.769 0.009 1.135 1.00 0.00 H new ATOM 0 HA GLU B 34 -17.219 2.499 1.370 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -14.907 3.339 1.251 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -14.594 2.351 -0.162 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -14.987 4.630 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -16.303 3.623 -1.433 1.00 0.00 H new ATOM 1421 N GLY B 35 -16.421 1.195 -1.528 1.00 0.00 N ATOM 1422 CA GLY B 35 -16.989 0.641 -2.745 1.00 0.00 C ATOM 1423 C GLY B 35 -16.173 0.982 -3.977 1.00 0.00 C ATOM 1424 O GLY B 35 -16.718 1.434 -4.985 1.00 0.00 O ATOM 0 H GLY B 35 -15.430 1.431 -1.586 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -17.059 -0.442 -2.648 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -18.005 1.016 -2.871 1.00 0.00 H new ATOM 1428 N ILE B 36 -14.864 0.772 -3.895 1.00 0.00 N ATOM 1429 CA ILE B 36 -13.970 1.065 -5.007 1.00 0.00 C ATOM 1430 C ILE B 36 -13.255 -0.184 -5.509 1.00 0.00 C ATOM 1431 O ILE B 36 -12.731 -0.969 -4.722 1.00 0.00 O ATOM 1432 CB ILE B 36 -12.897 2.107 -4.628 1.00 0.00 C ATOM 1433 CG1 ILE B 36 -12.872 2.360 -3.118 1.00 0.00 C ATOM 1434 CG2 ILE B 36 -13.122 3.399 -5.383 1.00 0.00 C ATOM 1435 CD1 ILE B 36 -12.479 1.151 -2.301 1.00 0.00 C ATOM 0 H ILE B 36 -14.398 0.399 -3.068 1.00 0.00 H new ATOM 0 HA ILE B 36 -14.608 1.465 -5.795 1.00 0.00 H new ATOM 0 HB ILE B 36 -11.925 1.703 -4.912 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -12.175 3.171 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -13.859 2.696 -2.799 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -12.356 4.122 -5.103 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -13.067 3.208 -6.455 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -14.106 3.798 -5.136 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -12.484 1.410 -1.242 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.189 0.344 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -11.480 0.826 -2.590 1.00 0.00 H new ATOM 1447 N PRO B 37 -13.208 -0.370 -6.839 1.00 0.00 N ATOM 1448 CA PRO B 37 -12.530 -1.514 -7.457 1.00 0.00 C ATOM 1449 C PRO B 37 -11.099 -1.670 -6.947 1.00 0.00 C ATOM 1450 O PRO B 37 -10.438 -0.681 -6.630 1.00 0.00 O ATOM 1451 CB PRO B 37 -12.524 -1.152 -8.943 1.00 0.00 C ATOM 1452 CG PRO B 37 -13.713 -0.277 -9.115 1.00 0.00 C ATOM 1453 CD PRO B 37 -13.800 0.529 -7.850 1.00 0.00 C ATOM 0 HA PRO B 37 -13.025 -2.459 -7.234 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -11.606 -0.635 -9.222 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -12.591 -2.042 -9.569 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -13.603 0.369 -9.986 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -14.617 -0.867 -9.268 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -13.248 1.465 -7.930 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -14.831 0.787 -7.606 1.00 0.00 H new ATOM 1461 N PRO B 38 -10.596 -2.913 -6.859 1.00 0.00 N ATOM 1462 CA PRO B 38 -9.234 -3.179 -6.384 1.00 0.00 C ATOM 1463 C PRO B 38 -8.186 -2.443 -7.209 1.00 0.00 C ATOM 1464 O PRO B 38 -7.155 -2.015 -6.689 1.00 0.00 O ATOM 1465 CB PRO B 38 -9.074 -4.693 -6.551 1.00 0.00 C ATOM 1466 CG PRO B 38 -10.462 -5.231 -6.602 1.00 0.00 C ATOM 1467 CD PRO B 38 -11.308 -4.152 -7.220 1.00 0.00 C ATOM 0 HA PRO B 38 -9.091 -2.838 -5.359 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.525 -4.933 -7.462 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -8.515 -5.124 -5.720 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -10.504 -6.145 -7.194 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -10.819 -5.482 -5.603 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -11.385 -4.271 -8.301 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.324 -4.162 -6.825 1.00 0.00 H new ATOM 1475 N ASP B 39 -8.457 -2.306 -8.502 1.00 0.00 N ATOM 1476 CA ASP B 39 -7.545 -1.633 -9.415 1.00 0.00 C ATOM 1477 C ASP B 39 -7.443 -0.143 -9.108 1.00 0.00 C ATOM 1478 O ASP B 39 -6.380 0.457 -9.274 1.00 0.00 O ATOM 1479 CB ASP B 39 -8.001 -1.834 -10.862 1.00 0.00 C ATOM 1480 CG ASP B 39 -8.034 -3.296 -11.261 1.00 0.00 C ATOM 1481 OD1 ASP B 39 -8.782 -4.068 -10.625 1.00 0.00 O ATOM 1482 OD2 ASP B 39 -7.313 -3.668 -12.211 1.00 0.00 O ATOM 0 H ASP B 39 -9.308 -2.656 -8.943 1.00 0.00 H new ATOM 0 HA ASP B 39 -6.558 -2.075 -9.280 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -8.994 -1.403 -10.990 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -7.330 -1.293 -11.530 1.00 0.00 H new ATOM 1487 N GLN B 40 -8.550 0.459 -8.680 1.00 0.00 N ATOM 1488 CA GLN B 40 -8.560 1.881 -8.380 1.00 0.00 C ATOM 1489 C GLN B 40 -7.690 2.208 -7.168 1.00 0.00 C ATOM 1490 O GLN B 40 -7.014 3.236 -7.150 1.00 0.00 O ATOM 1491 CB GLN B 40 -9.994 2.379 -8.189 1.00 0.00 C ATOM 1492 CG GLN B 40 -10.816 2.298 -9.469 1.00 0.00 C ATOM 1493 CD GLN B 40 -12.193 2.923 -9.348 1.00 0.00 C ATOM 1494 OE1 GLN B 40 -12.947 2.975 -10.320 1.00 0.00 O ATOM 1495 NE2 GLN B 40 -12.535 3.397 -8.159 1.00 0.00 N ATOM 0 H GLN B 40 -9.442 -0.014 -8.535 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.128 2.406 -9.232 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -10.479 1.789 -7.412 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.973 3.411 -7.839 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -10.271 2.793 -10.273 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -10.925 1.252 -9.755 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -11.882 3.335 -7.378 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.452 3.824 -8.025 1.00 0.00 H new ATOM 1504 N GLN B 41 -7.694 1.330 -6.165 1.00 0.00 N ATOM 1505 CA GLN B 41 -6.880 1.546 -4.969 1.00 0.00 C ATOM 1506 C GLN B 41 -5.428 1.820 -5.348 1.00 0.00 C ATOM 1507 O GLN B 41 -4.815 1.053 -6.092 1.00 0.00 O ATOM 1508 CB GLN B 41 -6.945 0.337 -4.033 1.00 0.00 C ATOM 1509 CG GLN B 41 -8.133 0.347 -3.085 1.00 0.00 C ATOM 1510 CD GLN B 41 -9.466 0.209 -3.787 1.00 0.00 C ATOM 1511 OE1 GLN B 41 -9.820 1.013 -4.649 1.00 0.00 O ATOM 1512 NE2 GLN B 41 -10.223 -0.813 -3.406 1.00 0.00 N ATOM 0 H GLN B 41 -8.245 0.472 -6.156 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.284 2.414 -4.448 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.981 -0.572 -4.634 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -6.027 0.295 -3.447 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -8.023 -0.467 -2.368 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -8.126 1.276 -2.516 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -9.889 -1.455 -2.687 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -11.139 -0.956 -3.832 1.00 0.00 H new ATOM 1521 N ARG B 42 -4.887 2.924 -4.842 1.00 0.00 N ATOM 1522 CA ARG B 42 -3.515 3.302 -5.137 1.00 0.00 C ATOM 1523 C ARG B 42 -2.531 2.724 -4.130 1.00 0.00 C ATOM 1524 O ARG B 42 -2.661 2.940 -2.927 1.00 0.00 O ATOM 1525 CB ARG B 42 -3.369 4.824 -5.166 1.00 0.00 C ATOM 1526 CG ARG B 42 -4.125 5.495 -6.297 1.00 0.00 C ATOM 1527 CD ARG B 42 -3.925 7.000 -6.271 1.00 0.00 C ATOM 1528 NE ARG B 42 -2.529 7.373 -6.479 1.00 0.00 N ATOM 1529 CZ ARG B 42 -2.100 8.632 -6.514 1.00 0.00 C ATOM 1530 NH1 ARG B 42 -2.959 9.633 -6.370 1.00 0.00 N ATOM 1531 NH2 ARG B 42 -0.813 8.891 -6.695 1.00 0.00 N ATOM 0 H ARG B 42 -5.380 3.570 -4.226 1.00 0.00 H new ATOM 0 HA ARG B 42 -3.281 2.890 -6.118 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -3.719 5.230 -4.217 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -2.312 5.076 -5.250 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -3.785 5.096 -7.253 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -5.187 5.265 -6.215 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -4.542 7.460 -7.043 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -4.266 7.394 -5.314 1.00 0.00 H new ATOM 0 HE ARG B 42 -1.845 6.627 -6.604 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -3.951 9.438 -6.232 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -2.628 10.597 -6.397 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -0.149 8.125 -6.808 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -0.486 9.857 -6.722 1.00 0.00 H new ATOM 1545 N LEU B 43 -1.525 2.020 -4.635 1.00 0.00 N ATOM 1546 CA LEU B 43 -0.492 1.445 -3.786 1.00 0.00 C ATOM 1547 C LEU B 43 0.533 2.517 -3.433 1.00 0.00 C ATOM 1548 O LEU B 43 1.089 3.164 -4.320 1.00 0.00 O ATOM 1549 CB LEU B 43 0.190 0.271 -4.498 1.00 0.00 C ATOM 1550 CG LEU B 43 -0.563 -1.067 -4.463 1.00 0.00 C ATOM 1551 CD1 LEU B 43 -0.209 -1.849 -3.209 1.00 0.00 C ATOM 1552 CD2 LEU B 43 -2.068 -0.861 -4.562 1.00 0.00 C ATOM 0 H LEU B 43 -1.404 1.834 -5.631 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.949 1.072 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.351 0.548 -5.540 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.174 0.123 -4.052 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.250 -1.647 -5.332 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -0.753 -2.794 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU B 43 0.863 -2.047 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -0.482 -1.268 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -2.570 -1.828 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -2.408 -0.252 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -2.305 -0.356 -5.498 1.00 0.00 H new ATOM 1564 N ILE B 44 0.775 2.713 -2.143 1.00 0.00 N ATOM 1565 CA ILE B 44 1.729 3.723 -1.698 1.00 0.00 C ATOM 1566 C ILE B 44 2.508 3.249 -0.474 1.00 0.00 C ATOM 1567 O ILE B 44 1.947 2.642 0.437 1.00 0.00 O ATOM 1568 CB ILE B 44 1.026 5.055 -1.363 1.00 0.00 C ATOM 1569 CG1 ILE B 44 0.274 5.591 -2.587 1.00 0.00 C ATOM 1570 CG2 ILE B 44 2.040 6.079 -0.869 1.00 0.00 C ATOM 1571 CD1 ILE B 44 -0.457 6.890 -2.329 1.00 0.00 C ATOM 0 H ILE B 44 0.328 2.190 -1.390 1.00 0.00 H new ATOM 0 HA ILE B 44 2.422 3.884 -2.524 1.00 0.00 H new ATOM 0 HB ILE B 44 0.302 4.873 -0.569 1.00 0.00 H new ATOM 0 HG12 ILE B 44 0.982 5.738 -3.402 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -0.443 4.840 -2.920 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.530 7.014 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.531 5.701 0.028 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.786 6.256 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -0.966 7.208 -3.239 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -1.190 6.744 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.257 7.655 -2.026 1.00 0.00 H new ATOM 1583 N PHE B 45 3.807 3.536 -0.467 1.00 0.00 N ATOM 1584 CA PHE B 45 4.680 3.148 0.636 1.00 0.00 C ATOM 1585 C PHE B 45 5.619 4.295 0.995 1.00 0.00 C ATOM 1586 O PHE B 45 6.120 4.991 0.113 1.00 0.00 O ATOM 1587 CB PHE B 45 5.503 1.907 0.268 1.00 0.00 C ATOM 1588 CG PHE B 45 4.676 0.700 -0.075 1.00 0.00 C ATOM 1589 CD1 PHE B 45 4.013 0.618 -1.288 1.00 0.00 C ATOM 1590 CD2 PHE B 45 4.560 -0.352 0.819 1.00 0.00 C ATOM 1591 CE1 PHE B 45 3.250 -0.489 -1.604 1.00 0.00 C ATOM 1592 CE2 PHE B 45 3.799 -1.463 0.510 1.00 0.00 C ATOM 1593 CZ PHE B 45 3.143 -1.532 -0.704 1.00 0.00 C ATOM 0 H PHE B 45 4.280 4.039 -1.218 1.00 0.00 H new ATOM 0 HA PHE B 45 4.053 2.912 1.496 1.00 0.00 H new ATOM 0 HB2 PHE B 45 6.144 2.148 -0.580 1.00 0.00 H new ATOM 0 HB3 PHE B 45 6.159 1.659 1.102 1.00 0.00 H new ATOM 0 HD1 PHE B 45 4.094 1.430 -1.996 1.00 0.00 H new ATOM 0 HD2 PHE B 45 5.071 -0.303 1.769 1.00 0.00 H new ATOM 0 HE1 PHE B 45 2.738 -0.539 -2.553 1.00 0.00 H new ATOM 0 HE2 PHE B 45 3.717 -2.276 1.216 1.00 0.00 H new ATOM 0 HZ PHE B 45 2.548 -2.399 -0.949 1.00 0.00 H new ATOM 1603 N ALA B 46 5.853 4.497 2.290 1.00 0.00 N ATOM 1604 CA ALA B 46 6.732 5.572 2.735 1.00 0.00 C ATOM 1605 C ALA B 46 7.413 5.230 4.055 1.00 0.00 C ATOM 1606 O ALA B 46 6.779 4.719 4.975 1.00 0.00 O ATOM 1607 CB ALA B 46 5.949 6.870 2.869 1.00 0.00 C ATOM 0 H ALA B 46 5.450 3.936 3.041 1.00 0.00 H new ATOM 0 HA ALA B 46 7.510 5.698 1.982 1.00 0.00 H new ATOM 0 HB1 ALA B 46 6.616 7.665 3.202 1.00 0.00 H new ATOM 0 HB2 ALA B 46 5.520 7.137 1.903 1.00 0.00 H new ATOM 0 HB3 ALA B 46 5.149 6.739 3.598 1.00 0.00 H new ATOM 1613 N GLY B 47 8.709 5.520 4.137 1.00 0.00 N ATOM 1614 CA GLY B 47 9.459 5.243 5.349 1.00 0.00 C ATOM 1615 C GLY B 47 8.976 6.071 6.524 1.00 0.00 C ATOM 1616 O GLY B 47 7.773 6.192 6.754 1.00 0.00 O ATOM 0 H GLY B 47 9.253 5.942 3.385 1.00 0.00 H new ATOM 0 HA2 GLY B 47 9.373 4.184 5.593 1.00 0.00 H new ATOM 0 HA3 GLY B 47 10.516 5.445 5.174 1.00 0.00 H new