USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 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 60 ASN : amide:sc= 0.211 K(o=0.15,f=-0.59) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.0646 K(o=0.15,f=-0.54) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 130:sc= 1.24 (180deg=0.663) USER MOD Single : A 2 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.016) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0895 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0.807 (180deg=0.757) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0177 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.345 USER MOD Single : A 25 ASN : amide:sc= -0.184 K(o=-0.18,f=-2.1) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.29) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0087) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.959 K(o=0.96,f=-9.1!) USER MOD Single : A 41 GLN : amide:sc= 0.665 K(o=0.66,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.111) USER MOD Single : A 49 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.9!) USER MOD Single : A 55 THR OG1 : rot -160:sc= 0.503 USER MOD Single : A 57 SER OG : rot 70:sc= 1.16 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.328 USER MOD Single : A 63 LYS NZ :NH3+ -134:sc= 1.27 (180deg=0.437) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0642 X(o=-0.064,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.113 44.032 -11.971 1.00 0.00 N ATOM 2 CA MET A 1 -5.478 44.922 -10.810 1.00 0.00 C ATOM 3 C MET A 1 -4.315 44.987 -9.772 1.00 0.00 C ATOM 4 O MET A 1 -3.470 44.109 -9.716 1.00 0.00 O ATOM 5 CB MET A 1 -6.862 44.482 -10.168 1.00 0.00 C ATOM 6 CG MET A 1 -6.789 43.363 -9.108 1.00 0.00 C ATOM 7 SD MET A 1 -6.372 41.793 -9.913 1.00 0.00 S ATOM 8 CE MET A 1 -6.039 40.738 -8.439 1.00 0.00 C ATOM 0 H1 MET A 1 -5.880 43.350 -12.140 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.972 44.612 -12.822 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.235 43.519 -11.752 1.00 0.00 H new ATOM 0 HA MET A 1 -5.621 45.938 -11.179 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.323 45.358 -9.712 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.524 44.154 -10.969 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.039 43.608 -8.356 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.744 43.276 -8.590 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.767 39.734 -8.764 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.219 41.167 -7.862 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.933 40.689 -7.817 1.00 0.00 H new ATOM 18 N GLN A 2 -4.326 46.044 -8.947 1.00 0.00 N ATOM 19 CA GLN A 2 -3.228 46.296 -8.026 1.00 0.00 C ATOM 20 C GLN A 2 -3.439 45.503 -6.756 1.00 0.00 C ATOM 21 O GLN A 2 -4.560 45.189 -6.307 1.00 0.00 O ATOM 22 CB GLN A 2 -3.063 47.793 -7.666 1.00 0.00 C ATOM 23 CG GLN A 2 -2.585 48.634 -8.928 1.00 0.00 C ATOM 24 CD GLN A 2 -2.674 50.088 -8.604 1.00 0.00 C ATOM 25 OE1 GLN A 2 -1.709 50.841 -8.865 1.00 0.00 O ATOM 26 NE2 GLN A 2 -3.793 50.591 -8.158 1.00 0.00 N ATOM 0 H GLN A 2 -5.081 46.729 -8.905 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.316 45.984 -8.535 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.010 48.189 -7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.338 47.899 -6.859 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.561 48.369 -9.191 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.207 48.402 -9.793 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.579 49.977 -7.945 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -3.881 51.598 -8.022 1.00 0.00 H new ATOM 35 N ILE A 3 -2.283 45.084 -6.251 1.00 0.00 N ATOM 36 CA ILE A 3 -2.206 44.594 -4.874 1.00 0.00 C ATOM 37 C ILE A 3 -1.076 45.355 -4.224 1.00 0.00 C ATOM 38 O ILE A 3 -0.161 45.854 -4.915 1.00 0.00 O ATOM 39 CB ILE A 3 -2.040 43.058 -4.748 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.798 42.688 -5.635 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.384 42.371 -5.263 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.093 41.457 -5.036 1.00 0.00 C ATOM 0 H ILE A 3 -1.400 45.072 -6.761 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.154 44.773 -4.367 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.872 42.716 -3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.116 42.478 -6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.107 43.530 -5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.292 41.288 -5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.222 42.709 -4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.558 42.646 -6.303 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.770 41.197 -5.649 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.238 41.684 -4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.787 40.617 -5.011 1.00 0.00 H new ATOM 54 N PHE A 4 -1.093 45.395 -2.885 1.00 0.00 N ATOM 55 CA PHE A 4 -0.027 46.029 -2.195 1.00 0.00 C ATOM 56 C PHE A 4 0.803 44.989 -1.499 1.00 0.00 C ATOM 57 O PHE A 4 0.242 44.088 -0.886 1.00 0.00 O ATOM 58 CB PHE A 4 -0.655 47.037 -1.179 1.00 0.00 C ATOM 59 CG PHE A 4 -1.531 48.074 -1.875 1.00 0.00 C ATOM 60 CD1 PHE A 4 -1.106 48.708 -3.044 1.00 0.00 C ATOM 61 CD2 PHE A 4 -2.792 48.340 -1.306 1.00 0.00 C ATOM 62 CE1 PHE A 4 -1.929 49.681 -3.646 1.00 0.00 C ATOM 63 CE2 PHE A 4 -3.635 49.298 -1.890 1.00 0.00 C ATOM 64 CZ PHE A 4 -3.195 49.962 -3.045 1.00 0.00 C ATOM 0 H PHE A 4 -1.825 44.999 -2.295 1.00 0.00 H new ATOM 0 HA PHE A 4 0.628 46.568 -2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.250 46.491 -0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.140 47.542 -0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.153 48.455 -3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.109 47.807 -0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.611 50.201 -4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.601 49.519 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.833 50.709 -3.494 1.00 0.00 H new ATOM 74 N VAL A 5 2.169 45.128 -1.621 1.00 0.00 N ATOM 75 CA VAL A 5 3.104 44.369 -0.854 1.00 0.00 C ATOM 76 C VAL A 5 3.706 45.279 0.229 1.00 0.00 C ATOM 77 O VAL A 5 4.427 46.227 -0.076 1.00 0.00 O ATOM 78 CB VAL A 5 4.195 43.853 -1.804 1.00 0.00 C ATOM 79 CG1 VAL A 5 5.316 43.199 -0.981 1.00 0.00 C ATOM 80 CG2 VAL A 5 3.574 42.808 -2.773 1.00 0.00 C ATOM 0 H VAL A 5 2.607 45.783 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 5 2.622 43.521 -0.368 1.00 0.00 H new ATOM 0 HB VAL A 5 4.608 44.681 -2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.093 42.831 -1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.743 43.934 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.908 42.367 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.343 42.438 -3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.166 41.977 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.777 43.276 -3.351 1.00 0.00 H new ATOM 90 N LYS A 6 3.421 44.919 1.502 1.00 0.00 N ATOM 91 CA LYS A 6 3.933 45.696 2.666 1.00 0.00 C ATOM 92 C LYS A 6 5.080 44.986 3.460 1.00 0.00 C ATOM 93 O LYS A 6 4.932 43.921 4.080 1.00 0.00 O ATOM 94 CB LYS A 6 2.806 46.352 3.488 1.00 0.00 C ATOM 95 CG LYS A 6 2.155 47.439 2.581 1.00 0.00 C ATOM 96 CD LYS A 6 1.225 48.329 3.404 1.00 0.00 C ATOM 97 CE LYS A 6 2.029 49.199 4.427 1.00 0.00 C ATOM 98 NZ LYS A 6 1.145 50.251 5.034 1.00 0.00 N ATOM 0 H LYS A 6 2.850 44.111 1.752 1.00 0.00 H new ATOM 0 HA LYS A 6 4.468 46.555 2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.068 45.610 3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.203 46.798 4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.931 48.046 2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.595 46.963 1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.657 48.979 2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.504 47.710 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.438 48.563 5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.874 49.671 3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.695 50.819 5.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.775 50.869 4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.352 49.795 5.529 1.00 0.00 H new ATOM 112 N THR A 7 6.351 45.623 3.523 1.00 0.00 N ATOM 113 CA THR A 7 7.471 45.183 4.365 1.00 0.00 C ATOM 114 C THR A 7 7.171 45.212 5.874 1.00 0.00 C ATOM 115 O THR A 7 6.137 45.712 6.278 1.00 0.00 O ATOM 116 CB THR A 7 8.837 45.959 4.057 1.00 0.00 C ATOM 117 OG1 THR A 7 8.793 47.372 4.199 1.00 0.00 O ATOM 118 CG2 THR A 7 9.123 45.806 2.548 1.00 0.00 C ATOM 0 H THR A 7 6.573 46.451 2.971 1.00 0.00 H new ATOM 0 HA THR A 7 7.607 44.138 4.085 1.00 0.00 H new ATOM 0 HB THR A 7 9.555 45.537 4.761 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.673 47.749 3.991 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.049 46.324 2.299 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.220 44.749 2.302 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.301 46.238 1.976 1.00 0.00 H new ATOM 126 N LEU A 8 7.987 44.529 6.697 1.00 0.00 N ATOM 127 CA LEU A 8 7.804 44.586 8.155 1.00 0.00 C ATOM 128 C LEU A 8 8.009 46.007 8.726 1.00 0.00 C ATOM 129 O LEU A 8 7.288 46.453 9.647 1.00 0.00 O ATOM 130 CB LEU A 8 8.751 43.513 8.740 1.00 0.00 C ATOM 131 CG LEU A 8 8.578 43.348 10.279 1.00 0.00 C ATOM 132 CD1 LEU A 8 7.122 43.127 10.835 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.405 42.061 10.599 1.00 0.00 C ATOM 0 H LEU A 8 8.762 43.944 6.385 1.00 0.00 H new ATOM 0 HA LEU A 8 6.776 44.365 8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.561 42.558 8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.784 43.784 8.520 1.00 0.00 H new ATOM 0 HG LEU A 8 8.888 44.282 10.747 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.158 43.029 11.920 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.497 43.979 10.568 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.701 42.219 10.402 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.351 41.850 11.667 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.996 41.218 10.042 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.445 42.216 10.312 1.00 0.00 H new ATOM 145 N THR A 9 9.009 46.820 8.238 1.00 0.00 N ATOM 146 CA THR A 9 9.135 48.214 8.679 1.00 0.00 C ATOM 147 C THR A 9 8.182 49.207 8.044 1.00 0.00 C ATOM 148 O THR A 9 7.935 50.217 8.672 1.00 0.00 O ATOM 149 CB THR A 9 10.608 48.756 8.690 1.00 0.00 C ATOM 150 OG1 THR A 9 11.245 48.504 7.475 1.00 0.00 O ATOM 151 CG2 THR A 9 11.352 48.132 9.878 1.00 0.00 C ATOM 0 H THR A 9 9.710 46.523 7.559 1.00 0.00 H new ATOM 0 HA THR A 9 8.809 48.140 9.716 1.00 0.00 H new ATOM 0 HB THR A 9 10.604 49.839 8.811 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.160 48.853 7.507 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.378 48.500 9.899 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.850 48.405 10.806 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.357 47.047 9.775 1.00 0.00 H new ATOM 159 N GLY A 10 7.521 48.904 6.898 1.00 0.00 N ATOM 160 CA GLY A 10 6.344 49.661 6.403 1.00 0.00 C ATOM 161 C GLY A 10 6.374 50.401 5.033 1.00 0.00 C ATOM 162 O GLY A 10 5.568 51.328 4.957 1.00 0.00 O ATOM 0 H GLY A 10 7.789 48.129 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.509 48.962 6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.104 50.406 7.161 1.00 0.00 H new ATOM 166 N LYS A 11 7.261 50.067 4.083 1.00 0.00 N ATOM 167 CA LYS A 11 7.183 50.488 2.653 1.00 0.00 C ATOM 168 C LYS A 11 6.186 49.692 1.826 1.00 0.00 C ATOM 169 O LYS A 11 6.185 48.470 1.884 1.00 0.00 O ATOM 170 CB LYS A 11 8.612 50.297 2.060 1.00 0.00 C ATOM 171 CG LYS A 11 8.639 50.438 0.481 1.00 0.00 C ATOM 172 CD LYS A 11 10.123 50.489 0.021 1.00 0.00 C ATOM 173 CE LYS A 11 10.398 50.938 -1.459 1.00 0.00 C ATOM 174 NZ LYS A 11 11.895 50.856 -1.729 1.00 0.00 N ATOM 0 H LYS A 11 8.075 49.484 4.280 1.00 0.00 H new ATOM 0 HA LYS A 11 6.835 51.520 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.285 51.034 2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.989 49.314 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.126 49.596 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.114 51.342 0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.660 51.166 0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.554 49.498 0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.854 50.299 -2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.042 51.956 -1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.098 51.231 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.407 51.416 -1.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.204 49.864 -1.676 1.00 0.00 H new ATOM 188 N THR A 12 5.366 50.440 1.019 1.00 0.00 N ATOM 189 CA THR A 12 4.384 49.789 0.139 1.00 0.00 C ATOM 190 C THR A 12 4.973 49.662 -1.234 1.00 0.00 C ATOM 191 O THR A 12 5.397 50.651 -1.845 1.00 0.00 O ATOM 192 CB THR A 12 3.014 50.511 0.055 1.00 0.00 C ATOM 193 OG1 THR A 12 2.452 50.575 1.391 1.00 0.00 O ATOM 194 CG2 THR A 12 2.021 49.692 -0.903 1.00 0.00 C ATOM 0 H THR A 12 5.376 51.459 0.971 1.00 0.00 H new ATOM 0 HA THR A 12 4.174 48.814 0.579 1.00 0.00 H new ATOM 0 HB THR A 12 3.146 51.514 -0.352 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.585 51.030 1.360 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.061 50.206 -0.957 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.453 49.624 -1.902 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.874 48.689 -0.502 1.00 0.00 H new ATOM 202 N ILE A 13 4.946 48.417 -1.718 1.00 0.00 N ATOM 203 CA ILE A 13 5.351 48.138 -3.080 1.00 0.00 C ATOM 204 C ILE A 13 4.062 47.723 -3.828 1.00 0.00 C ATOM 205 O ILE A 13 3.398 46.721 -3.499 1.00 0.00 O ATOM 206 CB ILE A 13 6.513 47.097 -3.256 1.00 0.00 C ATOM 207 CG1 ILE A 13 7.848 47.350 -2.482 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.803 47.118 -4.820 1.00 0.00 C ATOM 209 CD1 ILE A 13 7.793 46.680 -1.023 1.00 0.00 C ATOM 0 H ILE A 13 4.649 47.599 -1.185 1.00 0.00 H new ATOM 0 HA ILE A 13 5.804 49.036 -3.499 1.00 0.00 H new ATOM 0 HB ILE A 13 6.179 46.150 -2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.685 46.938 -3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.023 48.422 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.606 46.418 -5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.902 46.827 -5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.099 48.123 -5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.731 46.867 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.969 47.112 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.641 45.605 -1.122 1.00 0.00 H new ATOM 221 N THR A 14 3.691 48.620 -4.782 1.00 0.00 N ATOM 222 CA THR A 14 2.409 48.533 -5.523 1.00 0.00 C ATOM 223 C THR A 14 2.668 47.706 -6.771 1.00 0.00 C ATOM 224 O THR A 14 3.458 48.056 -7.624 1.00 0.00 O ATOM 225 CB THR A 14 1.755 49.912 -5.884 1.00 0.00 C ATOM 226 OG1 THR A 14 1.677 50.703 -4.707 1.00 0.00 O ATOM 227 CG2 THR A 14 0.338 49.714 -6.496 1.00 0.00 C ATOM 0 H THR A 14 4.269 49.415 -5.055 1.00 0.00 H new ATOM 0 HA THR A 14 1.675 48.065 -4.867 1.00 0.00 H new ATOM 0 HB THR A 14 2.370 50.416 -6.630 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.271 51.569 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.093 50.686 -6.737 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.414 49.115 -7.404 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.301 49.202 -5.776 1.00 0.00 H new ATOM 235 N LEU A 15 2.034 46.522 -6.832 1.00 0.00 N ATOM 236 CA LEU A 15 2.191 45.549 -7.982 1.00 0.00 C ATOM 237 C LEU A 15 0.927 45.448 -8.821 1.00 0.00 C ATOM 238 O LEU A 15 -0.175 45.394 -8.298 1.00 0.00 O ATOM 239 CB LEU A 15 2.562 44.164 -7.411 1.00 0.00 C ATOM 240 CG LEU A 15 3.970 44.178 -6.777 1.00 0.00 C ATOM 241 CD1 LEU A 15 4.390 42.703 -6.449 1.00 0.00 C ATOM 242 CD2 LEU A 15 5.066 44.898 -7.674 1.00 0.00 C ATOM 0 H LEU A 15 1.399 46.194 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 15 2.981 45.914 -8.639 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.827 43.868 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.526 43.419 -8.206 1.00 0.00 H new ATOM 0 HG LEU A 15 3.915 44.770 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.383 42.699 -6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.675 42.268 -5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.404 42.116 -7.367 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.029 44.869 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.147 44.385 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.775 45.935 -7.841 1.00 0.00 H new ATOM 254 N GLU A 16 1.136 45.422 -10.144 1.00 0.00 N ATOM 255 CA GLU A 16 0.064 45.175 -11.115 1.00 0.00 C ATOM 256 C GLU A 16 0.100 43.741 -11.620 1.00 0.00 C ATOM 257 O GLU A 16 1.092 43.352 -12.248 1.00 0.00 O ATOM 258 CB GLU A 16 0.162 46.121 -12.262 1.00 0.00 C ATOM 259 CG GLU A 16 -0.263 47.548 -11.837 1.00 0.00 C ATOM 260 CD GLU A 16 0.076 48.628 -12.921 1.00 0.00 C ATOM 261 OE1 GLU A 16 -0.789 48.963 -13.715 1.00 0.00 O ATOM 262 OE2 GLU A 16 1.153 49.241 -12.863 1.00 0.00 O ATOM 0 H GLU A 16 2.051 45.571 -10.570 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.886 45.337 -10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.185 46.138 -12.638 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.472 45.776 -13.079 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.335 47.560 -11.641 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.235 47.808 -10.903 1.00 0.00 H new ATOM 269 N VAL A 17 -1.013 42.971 -11.353 1.00 0.00 N ATOM 270 CA VAL A 17 -1.041 41.557 -11.671 1.00 0.00 C ATOM 271 C VAL A 17 -2.482 41.184 -12.043 1.00 0.00 C ATOM 272 O VAL A 17 -3.368 42.020 -11.831 1.00 0.00 O ATOM 273 CB VAL A 17 -0.593 40.609 -10.509 1.00 0.00 C ATOM 274 CG1 VAL A 17 0.884 40.813 -10.197 1.00 0.00 C ATOM 275 CG2 VAL A 17 -1.596 40.826 -9.322 1.00 0.00 C ATOM 0 H VAL A 17 -1.868 43.328 -10.927 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.327 41.414 -12.482 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.646 39.553 -10.772 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.180 40.147 -9.387 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.477 40.592 -11.084 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.053 41.847 -9.896 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.318 40.181 -8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.562 41.867 -9.002 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.606 40.580 -9.650 1.00 0.00 H new ATOM 285 N GLU A 18 -2.671 40.060 -12.739 1.00 0.00 N ATOM 286 CA GLU A 18 -4.022 39.640 -13.172 1.00 0.00 C ATOM 287 C GLU A 18 -4.549 38.526 -12.196 1.00 0.00 C ATOM 288 O GLU A 18 -3.746 38.030 -11.434 1.00 0.00 O ATOM 289 CB GLU A 18 -3.956 38.899 -14.519 1.00 0.00 C ATOM 290 CG GLU A 18 -3.624 39.791 -15.751 1.00 0.00 C ATOM 291 CD GLU A 18 -3.182 38.871 -16.882 1.00 0.00 C ATOM 292 OE1 GLU A 18 -3.808 38.954 -17.926 1.00 0.00 O ATOM 293 OE2 GLU A 18 -2.196 38.172 -16.715 1.00 0.00 O ATOM 0 H GLU A 18 -1.921 39.426 -13.016 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.638 40.539 -13.210 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.204 38.113 -14.447 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.914 38.409 -14.693 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.497 40.372 -16.049 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.836 40.503 -15.507 1.00 0.00 H new ATOM 300 N PRO A 19 -5.806 38.154 -12.152 1.00 0.00 N ATOM 301 CA PRO A 19 -6.314 37.200 -11.068 1.00 0.00 C ATOM 302 C PRO A 19 -5.689 35.777 -11.062 1.00 0.00 C ATOM 303 O PRO A 19 -5.573 35.117 -9.992 1.00 0.00 O ATOM 304 CB PRO A 19 -7.853 37.207 -11.339 1.00 0.00 C ATOM 305 CG PRO A 19 -8.124 38.621 -11.785 1.00 0.00 C ATOM 306 CD PRO A 19 -6.943 38.872 -12.744 1.00 0.00 C ATOM 0 HA PRO A 19 -6.028 37.528 -10.068 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.129 36.484 -12.107 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.420 36.953 -10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.087 38.716 -12.287 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.130 39.321 -10.949 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.164 38.502 -13.745 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.731 39.937 -12.837 1.00 0.00 H new ATOM 314 N SER A 20 -5.315 35.235 -12.245 1.00 0.00 N ATOM 315 CA SER A 20 -4.704 33.904 -12.328 1.00 0.00 C ATOM 316 C SER A 20 -3.141 34.013 -12.311 1.00 0.00 C ATOM 317 O SER A 20 -2.454 32.995 -12.470 1.00 0.00 O ATOM 318 CB SER A 20 -5.195 33.103 -13.534 1.00 0.00 C ATOM 319 OG SER A 20 -5.467 33.983 -14.688 1.00 0.00 O ATOM 0 H SER A 20 -5.428 35.702 -13.145 1.00 0.00 H new ATOM 0 HA SER A 20 -5.022 33.350 -11.445 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.446 32.360 -13.809 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.101 32.559 -13.267 1.00 0.00 H new ATOM 0 HG SER A 20 -5.778 33.443 -15.445 1.00 0.00 H new ATOM 325 N ASP A 21 -2.579 35.256 -12.102 1.00 0.00 N ATOM 326 CA ASP A 21 -1.184 35.423 -11.593 1.00 0.00 C ATOM 327 C ASP A 21 -0.999 34.852 -10.165 1.00 0.00 C ATOM 328 O ASP A 21 -1.930 34.606 -9.412 1.00 0.00 O ATOM 329 CB ASP A 21 -0.689 36.901 -11.640 1.00 0.00 C ATOM 330 CG ASP A 21 -0.706 37.457 -13.088 1.00 0.00 C ATOM 331 OD1 ASP A 21 -0.973 36.695 -14.001 1.00 0.00 O ATOM 332 OD2 ASP A 21 -0.375 38.633 -13.275 1.00 0.00 O ATOM 0 H ASP A 21 -3.067 36.134 -12.277 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.567 34.842 -12.278 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.323 37.519 -11.004 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.322 36.961 -11.237 1.00 0.00 H new ATOM 337 N THR A 22 0.250 34.490 -9.894 1.00 0.00 N ATOM 338 CA THR A 22 0.571 33.637 -8.735 1.00 0.00 C ATOM 339 C THR A 22 1.360 34.376 -7.681 1.00 0.00 C ATOM 340 O THR A 22 1.710 35.522 -7.870 1.00 0.00 O ATOM 341 CB THR A 22 1.391 32.438 -9.182 1.00 0.00 C ATOM 342 OG1 THR A 22 2.591 32.838 -9.820 1.00 0.00 O ATOM 343 CG2 THR A 22 0.630 31.616 -10.234 1.00 0.00 C ATOM 0 H THR A 22 1.058 34.767 -10.451 1.00 0.00 H new ATOM 0 HA THR A 22 -0.380 33.323 -8.305 1.00 0.00 H new ATOM 0 HB THR A 22 1.593 31.862 -8.279 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.096 32.044 -10.094 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.237 30.763 -10.538 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.308 31.260 -9.809 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.421 32.241 -11.102 1.00 0.00 H new ATOM 351 N ILE A 23 1.545 33.742 -6.534 1.00 0.00 N ATOM 352 CA ILE A 23 2.526 34.217 -5.551 1.00 0.00 C ATOM 353 C ILE A 23 3.924 34.178 -6.133 1.00 0.00 C ATOM 354 O ILE A 23 4.727 35.059 -5.805 1.00 0.00 O ATOM 355 CB ILE A 23 2.429 33.376 -4.300 1.00 0.00 C ATOM 356 CG1 ILE A 23 0.940 33.404 -3.796 1.00 0.00 C ATOM 357 CG2 ILE A 23 3.383 34.053 -3.251 1.00 0.00 C ATOM 358 CD1 ILE A 23 0.367 34.834 -3.503 1.00 0.00 C ATOM 0 H ILE A 23 1.037 32.903 -6.255 1.00 0.00 H new ATOM 0 HA ILE A 23 2.308 35.253 -5.293 1.00 0.00 H new ATOM 0 HB ILE A 23 2.714 32.337 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.310 32.923 -4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.869 32.807 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.358 33.489 -2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.401 34.065 -3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.053 35.075 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.665 34.750 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.967 35.315 -2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.400 35.433 -4.413 1.00 0.00 H new ATOM 370 N GLU A 24 4.229 33.198 -6.960 1.00 0.00 N ATOM 371 CA GLU A 24 5.602 33.226 -7.608 1.00 0.00 C ATOM 372 C GLU A 24 5.816 34.447 -8.494 1.00 0.00 C ATOM 373 O GLU A 24 6.889 35.037 -8.464 1.00 0.00 O ATOM 374 CB GLU A 24 5.981 31.887 -8.259 1.00 0.00 C ATOM 375 CG GLU A 24 7.014 31.838 -9.444 1.00 0.00 C ATOM 376 CD GLU A 24 7.319 30.357 -9.764 1.00 0.00 C ATOM 377 OE1 GLU A 24 7.872 29.665 -8.877 1.00 0.00 O ATOM 378 OE2 GLU A 24 7.011 29.945 -10.868 1.00 0.00 O ATOM 0 H GLU A 24 3.626 32.414 -7.210 1.00 0.00 H new ATOM 0 HA GLU A 24 6.324 33.350 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.368 31.243 -7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.058 31.432 -8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.608 32.340 -10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.929 32.363 -9.171 1.00 0.00 H new ATOM 385 N ASN A 25 4.771 34.855 -9.162 1.00 0.00 N ATOM 386 CA ASN A 25 4.763 36.162 -9.885 1.00 0.00 C ATOM 387 C ASN A 25 4.990 37.330 -8.913 1.00 0.00 C ATOM 388 O ASN A 25 5.726 38.247 -9.282 1.00 0.00 O ATOM 389 CB ASN A 25 3.444 36.374 -10.682 1.00 0.00 C ATOM 390 CG ASN A 25 3.314 35.273 -11.746 1.00 0.00 C ATOM 391 OD1 ASN A 25 2.201 35.113 -12.306 1.00 0.00 O ATOM 392 ND2 ASN A 25 4.325 34.612 -12.294 1.00 0.00 N ATOM 0 H ASN A 25 3.902 34.326 -9.239 1.00 0.00 H new ATOM 0 HA ASN A 25 5.585 36.137 -10.600 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.589 36.347 -10.007 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.445 37.356 -11.156 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.166 34.025 -13.113 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.261 34.691 -11.896 1.00 0.00 H new ATOM 399 N VAL A 26 4.335 37.362 -7.725 1.00 0.00 N ATOM 400 CA VAL A 26 4.635 38.380 -6.746 1.00 0.00 C ATOM 401 C VAL A 26 6.110 38.270 -6.184 1.00 0.00 C ATOM 402 O VAL A 26 6.789 39.318 -6.093 1.00 0.00 O ATOM 403 CB VAL A 26 3.640 38.348 -5.567 1.00 0.00 C ATOM 404 CG1 VAL A 26 4.085 39.464 -4.580 1.00 0.00 C ATOM 405 CG2 VAL A 26 2.205 38.607 -6.170 1.00 0.00 C ATOM 0 H VAL A 26 3.613 36.698 -7.446 1.00 0.00 H new ATOM 0 HA VAL A 26 4.540 39.330 -7.273 1.00 0.00 H new ATOM 0 HB VAL A 26 3.617 37.400 -5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.410 39.483 -3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.100 39.263 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.057 40.429 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.466 38.593 -5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.188 39.579 -6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.969 37.828 -6.895 1.00 0.00 H new ATOM 415 N LYS A 27 6.625 37.063 -5.775 1.00 0.00 N ATOM 416 CA LYS A 27 8.006 36.977 -5.311 1.00 0.00 C ATOM 417 C LYS A 27 9.073 37.428 -6.338 1.00 0.00 C ATOM 418 O LYS A 27 10.019 38.123 -5.967 1.00 0.00 O ATOM 419 CB LYS A 27 8.321 35.557 -4.823 1.00 0.00 C ATOM 420 CG LYS A 27 7.846 35.322 -3.360 1.00 0.00 C ATOM 421 CD LYS A 27 8.352 33.834 -3.113 1.00 0.00 C ATOM 422 CE LYS A 27 8.120 33.358 -1.686 1.00 0.00 C ATOM 423 NZ LYS A 27 8.554 31.942 -1.563 1.00 0.00 N ATOM 0 H LYS A 27 6.109 36.183 -5.765 1.00 0.00 H new ATOM 0 HA LYS A 27 8.070 37.690 -4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.840 34.833 -5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.395 35.382 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.292 36.031 -2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.765 35.412 -3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.840 33.163 -3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.416 33.775 -3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.676 33.983 -0.987 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.065 33.451 -1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.412 31.619 -0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.993 31.350 -2.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.561 31.865 -1.811 1.00 0.00 H new ATOM 437 N ALA A 28 8.920 36.969 -7.604 1.00 0.00 N ATOM 438 CA ALA A 28 9.736 37.293 -8.773 1.00 0.00 C ATOM 439 C ALA A 28 9.774 38.813 -9.051 1.00 0.00 C ATOM 440 O ALA A 28 10.790 39.457 -9.334 1.00 0.00 O ATOM 441 CB ALA A 28 8.972 36.606 -9.961 1.00 0.00 C ATOM 0 H ALA A 28 8.169 36.320 -7.839 1.00 0.00 H new ATOM 0 HA ALA A 28 10.766 36.965 -8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.507 36.791 -10.893 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.913 35.532 -9.783 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.965 37.018 -10.033 1.00 0.00 H new ATOM 447 N LYS A 29 8.611 39.415 -8.945 1.00 0.00 N ATOM 448 CA LYS A 29 8.450 40.853 -9.045 1.00 0.00 C ATOM 449 C LYS A 29 9.070 41.688 -7.954 1.00 0.00 C ATOM 450 O LYS A 29 9.529 42.813 -8.285 1.00 0.00 O ATOM 451 CB LYS A 29 6.965 41.324 -9.251 1.00 0.00 C ATOM 452 CG LYS A 29 6.591 41.390 -10.757 1.00 0.00 C ATOM 453 CD LYS A 29 5.144 41.881 -11.054 1.00 0.00 C ATOM 454 CE LYS A 29 4.853 41.954 -12.624 1.00 0.00 C ATOM 455 NZ LYS A 29 4.792 40.568 -13.202 1.00 0.00 N ATOM 0 H LYS A 29 7.737 38.915 -8.785 1.00 0.00 H new ATOM 0 HA LYS A 29 9.028 41.041 -9.950 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.291 40.639 -8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.828 42.306 -8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.294 42.052 -11.262 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.719 40.399 -11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.428 41.208 -10.582 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.996 42.866 -10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.912 42.473 -12.804 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.634 42.530 -13.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.552 40.624 -14.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.716 40.104 -13.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.065 40.016 -12.704 1.00 0.00 H new ATOM 469 N ILE A 30 9.171 41.139 -6.753 1.00 0.00 N ATOM 470 CA ILE A 30 9.931 41.830 -5.731 1.00 0.00 C ATOM 471 C ILE A 30 11.440 41.548 -5.817 1.00 0.00 C ATOM 472 O ILE A 30 12.242 42.461 -5.500 1.00 0.00 O ATOM 473 CB ILE A 30 9.341 41.458 -4.358 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.911 42.099 -4.116 1.00 0.00 C ATOM 475 CG2 ILE A 30 10.305 41.870 -3.239 1.00 0.00 C ATOM 476 CD1 ILE A 30 7.857 43.554 -3.569 1.00 0.00 C ATOM 0 H ILE A 30 8.753 40.252 -6.471 1.00 0.00 H new ATOM 0 HA ILE A 30 9.843 42.905 -5.886 1.00 0.00 H new ATOM 0 HB ILE A 30 9.211 40.376 -4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.368 42.075 -5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.369 41.458 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.877 41.602 -2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.256 41.354 -3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.468 42.947 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.818 43.861 -3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.358 43.598 -2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.357 44.224 -4.268 1.00 0.00 H new ATOM 488 N GLN A 31 11.817 40.424 -6.375 1.00 0.00 N ATOM 489 CA GLN A 31 13.185 40.274 -6.948 1.00 0.00 C ATOM 490 C GLN A 31 13.647 41.310 -8.014 1.00 0.00 C ATOM 491 O GLN A 31 14.788 41.785 -7.957 1.00 0.00 O ATOM 492 CB GLN A 31 13.332 38.855 -7.441 1.00 0.00 C ATOM 493 CG GLN A 31 14.169 38.662 -8.763 1.00 0.00 C ATOM 494 CD GLN A 31 14.360 37.188 -8.979 1.00 0.00 C ATOM 495 OE1 GLN A 31 13.484 36.526 -9.528 1.00 0.00 O ATOM 496 NE2 GLN A 31 15.347 36.556 -8.493 1.00 0.00 N ATOM 0 H GLN A 31 11.226 39.596 -6.457 1.00 0.00 H new ATOM 0 HA GLN A 31 13.868 40.501 -6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.797 38.264 -6.652 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.336 38.443 -7.603 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.650 39.108 -9.611 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.133 39.163 -8.680 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.099 37.064 -8.028 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.389 35.540 -8.568 1.00 0.00 H new ATOM 505 N ASP A 32 12.834 41.546 -9.030 1.00 0.00 N ATOM 506 CA ASP A 32 13.066 42.604 -10.030 1.00 0.00 C ATOM 507 C ASP A 32 13.092 44.056 -9.430 1.00 0.00 C ATOM 508 O ASP A 32 13.941 44.892 -9.749 1.00 0.00 O ATOM 509 CB ASP A 32 11.908 42.464 -11.107 1.00 0.00 C ATOM 510 CG ASP A 32 12.067 43.322 -12.383 1.00 0.00 C ATOM 511 OD1 ASP A 32 11.323 43.034 -13.344 1.00 0.00 O ATOM 512 OD2 ASP A 32 12.826 44.301 -12.375 1.00 0.00 O ATOM 0 H ASP A 32 11.983 41.009 -9.196 1.00 0.00 H new ATOM 0 HA ASP A 32 14.057 42.469 -10.465 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.837 41.417 -11.403 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.962 42.725 -10.632 1.00 0.00 H new ATOM 517 N LYS A 33 12.190 44.364 -8.454 1.00 0.00 N ATOM 518 CA LYS A 33 12.000 45.684 -7.861 1.00 0.00 C ATOM 519 C LYS A 33 13.021 45.968 -6.808 1.00 0.00 C ATOM 520 O LYS A 33 13.905 46.718 -7.149 1.00 0.00 O ATOM 521 CB LYS A 33 10.567 45.918 -7.279 1.00 0.00 C ATOM 522 CG LYS A 33 9.466 46.080 -8.383 1.00 0.00 C ATOM 523 CD LYS A 33 9.756 47.236 -9.378 1.00 0.00 C ATOM 524 CE LYS A 33 10.160 48.594 -8.792 1.00 0.00 C ATOM 525 NZ LYS A 33 9.063 49.252 -7.979 1.00 0.00 N ATOM 0 H LYS A 33 11.563 43.663 -8.058 1.00 0.00 H new ATOM 0 HA LYS A 33 12.127 46.381 -8.689 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.304 45.080 -6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 33 10.578 46.811 -6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.378 45.146 -8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.504 46.257 -7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.551 46.910 -10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.865 47.385 -9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.039 48.462 -8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.448 49.260 -9.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.402 50.164 -7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.230 49.409 -8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.803 48.635 -7.183 1.00 0.00 H new ATOM 539 N GLU A 34 12.910 45.430 -5.601 1.00 0.00 N ATOM 540 CA GLU A 34 13.759 45.854 -4.454 1.00 0.00 C ATOM 541 C GLU A 34 15.092 45.112 -4.306 1.00 0.00 C ATOM 542 O GLU A 34 15.899 45.475 -3.417 1.00 0.00 O ATOM 543 CB GLU A 34 13.040 45.426 -3.232 1.00 0.00 C ATOM 544 CG GLU A 34 11.757 46.177 -2.977 1.00 0.00 C ATOM 545 CD GLU A 34 11.949 47.732 -2.912 1.00 0.00 C ATOM 546 OE1 GLU A 34 11.190 48.440 -3.600 1.00 0.00 O ATOM 547 OE2 GLU A 34 12.852 48.200 -2.222 1.00 0.00 O ATOM 0 H GLU A 34 12.242 44.694 -5.372 1.00 0.00 H new ATOM 0 HA GLU A 34 13.946 46.917 -4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.816 44.362 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.699 45.552 -2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.042 45.939 -3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.323 45.832 -2.038 1.00 0.00 H new ATOM 554 N GLY A 35 15.247 44.114 -5.180 1.00 0.00 N ATOM 555 CA GLY A 35 16.445 43.274 -5.323 1.00 0.00 C ATOM 556 C GLY A 35 16.483 42.047 -4.455 1.00 0.00 C ATOM 557 O GLY A 35 17.568 41.592 -4.156 1.00 0.00 O ATOM 0 H GLY A 35 14.511 43.856 -5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.527 42.964 -6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.322 43.882 -5.101 1.00 0.00 H new ATOM 561 N ILE A 36 15.331 41.537 -4.026 1.00 0.00 N ATOM 562 CA ILE A 36 15.337 40.555 -2.915 1.00 0.00 C ATOM 563 C ILE A 36 15.304 39.105 -3.435 1.00 0.00 C ATOM 564 O ILE A 36 14.454 38.847 -4.263 1.00 0.00 O ATOM 565 CB ILE A 36 14.123 40.666 -1.991 1.00 0.00 C ATOM 566 CG1 ILE A 36 13.952 42.162 -1.530 1.00 0.00 C ATOM 567 CG2 ILE A 36 14.364 39.707 -0.731 1.00 0.00 C ATOM 568 CD1 ILE A 36 12.889 42.382 -0.453 1.00 0.00 C ATOM 0 H ILE A 36 14.412 41.767 -4.403 1.00 0.00 H new ATOM 0 HA ILE A 36 16.255 40.786 -2.374 1.00 0.00 H new ATOM 0 HB ILE A 36 13.213 40.362 -2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 36 14.909 42.524 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.700 42.769 -2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.510 39.770 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.481 38.679 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.266 40.019 -0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.842 43.441 -0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.919 42.055 -0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 36 13.147 41.807 0.436 1.00 0.00 H new ATOM 580 N PRO A 37 16.135 38.199 -2.957 1.00 0.00 N ATOM 581 CA PRO A 37 16.014 36.747 -3.300 1.00 0.00 C ATOM 582 C PRO A 37 14.595 36.176 -2.978 1.00 0.00 C ATOM 583 O PRO A 37 14.136 36.331 -1.846 1.00 0.00 O ATOM 584 CB PRO A 37 17.201 36.152 -2.448 1.00 0.00 C ATOM 585 CG PRO A 37 18.267 37.226 -2.474 1.00 0.00 C ATOM 586 CD PRO A 37 17.424 38.521 -2.426 1.00 0.00 C ATOM 0 HA PRO A 37 16.095 36.500 -4.359 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.885 35.932 -1.428 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.568 35.219 -2.877 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.944 37.149 -1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.879 37.171 -3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 37 17.339 38.889 -1.403 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.896 39.311 -3.011 1.00 0.00 H new ATOM 594 N PRO A 38 13.928 35.436 -3.906 1.00 0.00 N ATOM 595 CA PRO A 38 12.663 34.647 -3.678 1.00 0.00 C ATOM 596 C PRO A 38 12.698 33.748 -2.413 1.00 0.00 C ATOM 597 O PRO A 38 11.718 33.725 -1.678 1.00 0.00 O ATOM 598 CB PRO A 38 12.499 33.779 -5.022 1.00 0.00 C ATOM 599 CG PRO A 38 13.065 34.714 -6.052 1.00 0.00 C ATOM 600 CD PRO A 38 14.366 35.178 -5.315 1.00 0.00 C ATOM 0 HA PRO A 38 11.819 35.309 -3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.050 32.840 -4.974 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.458 33.528 -5.224 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.278 34.214 -6.997 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.394 35.544 -6.275 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.140 34.412 -5.356 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.782 36.076 -5.772 1.00 0.00 H new ATOM 608 N ASP A 39 13.851 33.139 -2.051 1.00 0.00 N ATOM 609 CA ASP A 39 13.954 32.316 -0.848 1.00 0.00 C ATOM 610 C ASP A 39 14.018 33.155 0.474 1.00 0.00 C ATOM 611 O ASP A 39 13.743 32.641 1.554 1.00 0.00 O ATOM 612 CB ASP A 39 15.139 31.385 -1.179 1.00 0.00 C ATOM 613 CG ASP A 39 15.329 30.160 -0.262 1.00 0.00 C ATOM 614 OD1 ASP A 39 16.444 30.031 0.268 1.00 0.00 O ATOM 615 OD2 ASP A 39 14.393 29.347 -0.161 1.00 0.00 O ATOM 0 H ASP A 39 14.718 33.209 -2.583 1.00 0.00 H new ATOM 0 HA ASP A 39 13.070 31.723 -0.615 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.018 31.030 -2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.055 31.976 -1.153 1.00 0.00 H new ATOM 620 N GLN A 40 14.316 34.453 0.413 1.00 0.00 N ATOM 621 CA GLN A 40 14.331 35.288 1.607 1.00 0.00 C ATOM 622 C GLN A 40 12.904 35.818 1.830 1.00 0.00 C ATOM 623 O GLN A 40 12.653 36.328 2.896 1.00 0.00 O ATOM 624 CB GLN A 40 15.303 36.514 1.358 1.00 0.00 C ATOM 625 CG GLN A 40 16.855 36.177 1.410 1.00 0.00 C ATOM 626 CD GLN A 40 17.198 35.866 2.872 1.00 0.00 C ATOM 627 OE1 GLN A 40 17.501 34.685 3.157 1.00 0.00 O ATOM 628 NE2 GLN A 40 17.232 36.850 3.753 1.00 0.00 N ATOM 0 H GLN A 40 14.549 34.945 -0.450 1.00 0.00 H new ATOM 0 HA GLN A 40 14.669 34.720 2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.075 36.944 0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.090 37.281 2.103 1.00 0.00 H new ATOM 0 HG2 GLN A 40 17.086 35.325 0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.445 37.018 1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.976 37.796 3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.515 36.664 4.715 1.00 0.00 H new ATOM 637 N GLN A 41 11.974 35.730 0.895 1.00 0.00 N ATOM 638 CA GLN A 41 10.705 36.453 1.029 1.00 0.00 C ATOM 639 C GLN A 41 9.758 35.463 1.692 1.00 0.00 C ATOM 640 O GLN A 41 9.554 34.374 1.134 1.00 0.00 O ATOM 641 CB GLN A 41 10.145 36.792 -0.358 1.00 0.00 C ATOM 642 CG GLN A 41 11.020 37.908 -1.074 1.00 0.00 C ATOM 643 CD GLN A 41 10.476 38.278 -2.463 1.00 0.00 C ATOM 644 OE1 GLN A 41 9.255 38.557 -2.602 1.00 0.00 O ATOM 645 NE2 GLN A 41 11.290 38.318 -3.500 1.00 0.00 N ATOM 0 H GLN A 41 12.063 35.176 0.044 1.00 0.00 H new ATOM 0 HA GLN A 41 10.828 37.379 1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.123 35.893 -0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.116 37.139 -0.263 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.048 38.800 -0.449 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.046 37.554 -1.171 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.277 38.091 -3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.932 38.576 -4.420 1.00 0.00 H new ATOM 654 N ARG A 42 9.018 35.853 2.774 1.00 0.00 N ATOM 655 CA ARG A 42 7.822 35.133 3.205 1.00 0.00 C ATOM 656 C ARG A 42 6.640 36.099 3.038 1.00 0.00 C ATOM 657 O ARG A 42 6.647 37.146 3.640 1.00 0.00 O ATOM 658 CB ARG A 42 7.955 34.783 4.735 1.00 0.00 C ATOM 659 CG ARG A 42 8.910 33.612 5.032 1.00 0.00 C ATOM 660 CD ARG A 42 10.454 33.885 4.978 1.00 0.00 C ATOM 661 NE ARG A 42 11.273 32.643 5.227 1.00 0.00 N ATOM 662 CZ ARG A 42 11.469 32.076 6.442 1.00 0.00 C ATOM 663 NH1 ARG A 42 11.217 32.645 7.592 1.00 0.00 N ATOM 664 NH2 ARG A 42 11.884 30.850 6.524 1.00 0.00 N ATOM 0 H ARG A 42 9.245 36.664 3.350 1.00 0.00 H new ATOM 0 HA ARG A 42 7.686 34.218 2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.304 35.667 5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.968 34.541 5.128 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.673 33.233 6.026 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.688 32.813 4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.712 34.296 4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.712 34.640 5.721 1.00 0.00 H new ATOM 0 HE ARG A 42 11.712 32.197 4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.841 33.593 7.621 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.396 32.141 8.460 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.062 30.314 5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.032 30.422 7.438 1.00 0.00 H new ATOM 678 N LEU A 43 5.705 35.821 2.130 1.00 0.00 N ATOM 679 CA LEU A 43 4.599 36.734 1.868 1.00 0.00 C ATOM 680 C LEU A 43 3.353 36.064 2.531 1.00 0.00 C ATOM 681 O LEU A 43 3.115 34.893 2.246 1.00 0.00 O ATOM 682 CB LEU A 43 4.434 36.826 0.335 1.00 0.00 C ATOM 683 CG LEU A 43 3.376 37.860 -0.150 1.00 0.00 C ATOM 684 CD1 LEU A 43 4.021 39.348 -0.151 1.00 0.00 C ATOM 685 CD2 LEU A 43 2.878 37.535 -1.584 1.00 0.00 C ATOM 0 H LEU A 43 5.693 34.971 1.566 1.00 0.00 H new ATOM 0 HA LEU A 43 4.746 37.740 2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.398 37.081 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.160 35.842 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 43 2.530 37.811 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.276 40.067 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.341 39.607 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.881 39.372 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.141 38.277 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.721 37.554 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.422 36.545 -1.595 1.00 0.00 H new ATOM 697 N ILE A 44 2.652 36.809 3.448 1.00 0.00 N ATOM 698 CA ILE A 44 1.679 36.266 4.432 1.00 0.00 C ATOM 699 C ILE A 44 0.325 36.966 4.233 1.00 0.00 C ATOM 700 O ILE A 44 0.182 38.208 4.141 1.00 0.00 O ATOM 701 CB ILE A 44 2.171 36.498 5.871 1.00 0.00 C ATOM 702 CG1 ILE A 44 3.504 35.721 6.201 1.00 0.00 C ATOM 703 CG2 ILE A 44 1.088 36.096 6.973 1.00 0.00 C ATOM 704 CD1 ILE A 44 4.433 36.720 6.902 1.00 0.00 C ATOM 0 H ILE A 44 2.757 37.821 3.517 1.00 0.00 H new ATOM 0 HA ILE A 44 1.576 35.193 4.273 1.00 0.00 H new ATOM 0 HB ILE A 44 2.355 37.572 5.914 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.303 34.863 6.843 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.964 35.337 5.290 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.494 36.283 7.967 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.186 36.692 6.832 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.843 35.039 6.874 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.373 36.229 7.152 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.629 37.562 6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.958 37.080 7.814 1.00 0.00 H new ATOM 716 N PHE A 45 -0.750 36.151 4.203 1.00 0.00 N ATOM 717 CA PHE A 45 -2.112 36.649 4.202 1.00 0.00 C ATOM 718 C PHE A 45 -2.911 35.611 4.976 1.00 0.00 C ATOM 719 O PHE A 45 -2.567 34.424 5.025 1.00 0.00 O ATOM 720 CB PHE A 45 -2.667 36.811 2.812 1.00 0.00 C ATOM 721 CG PHE A 45 -4.084 37.390 2.799 1.00 0.00 C ATOM 722 CD1 PHE A 45 -4.273 38.757 2.927 1.00 0.00 C ATOM 723 CD2 PHE A 45 -5.130 36.538 2.353 1.00 0.00 C ATOM 724 CE1 PHE A 45 -5.573 39.281 2.758 1.00 0.00 C ATOM 725 CE2 PHE A 45 -6.434 37.087 2.228 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.612 38.446 2.353 1.00 0.00 C ATOM 0 H PHE A 45 -0.682 35.134 4.179 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.161 37.642 4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.009 37.462 2.237 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.672 35.842 2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.442 39.409 3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.939 35.502 2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.762 40.328 2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.279 36.443 2.036 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.578 38.875 2.132 1.00 0.00 H new ATOM 736 N ALA A 46 -3.928 36.096 5.676 1.00 0.00 N ATOM 737 CA ALA A 46 -4.844 35.313 6.546 1.00 0.00 C ATOM 738 C ALA A 46 -4.147 34.465 7.607 1.00 0.00 C ATOM 739 O ALA A 46 -4.551 33.357 7.886 1.00 0.00 O ATOM 740 CB ALA A 46 -5.833 34.400 5.677 1.00 0.00 C ATOM 0 H ALA A 46 -4.161 37.089 5.663 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.416 36.065 7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.490 33.840 6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.433 35.033 5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.250 33.705 5.073 1.00 0.00 H new ATOM 746 N GLY A 47 -3.079 34.979 8.142 1.00 0.00 N ATOM 747 CA GLY A 47 -2.353 34.262 9.175 1.00 0.00 C ATOM 748 C GLY A 47 -1.436 33.107 8.746 1.00 0.00 C ATOM 749 O GLY A 47 -0.963 32.398 9.648 1.00 0.00 O ATOM 0 H GLY A 47 -2.685 35.885 7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.746 34.985 9.719 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.083 33.864 9.880 1.00 0.00 H new ATOM 753 N LYS A 48 -1.146 32.943 7.487 1.00 0.00 N ATOM 754 CA LYS A 48 -0.254 31.831 7.106 1.00 0.00 C ATOM 755 C LYS A 48 0.507 32.274 5.851 1.00 0.00 C ATOM 756 O LYS A 48 -0.010 33.073 5.041 1.00 0.00 O ATOM 757 CB LYS A 48 -1.090 30.510 6.935 1.00 0.00 C ATOM 758 CG LYS A 48 -1.995 30.546 5.704 1.00 0.00 C ATOM 759 CD LYS A 48 -2.867 29.265 5.683 1.00 0.00 C ATOM 760 CE LYS A 48 -4.014 29.349 4.662 1.00 0.00 C ATOM 761 NZ LYS A 48 -3.527 29.772 3.335 1.00 0.00 N ATOM 0 H LYS A 48 -1.485 33.524 6.720 1.00 0.00 H new ATOM 0 HA LYS A 48 0.482 31.598 7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.411 29.661 6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.699 30.351 7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.629 31.433 5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.394 30.608 4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.239 28.406 5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.281 29.095 6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.501 28.377 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.767 30.053 5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.291 29.672 2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.224 30.766 3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.722 29.176 3.055 1.00 0.00 H new ATOM 775 N GLN A 49 1.716 31.683 5.662 1.00 0.00 N ATOM 776 CA GLN A 49 2.542 31.901 4.483 1.00 0.00 C ATOM 777 C GLN A 49 1.931 31.294 3.240 1.00 0.00 C ATOM 778 O GLN A 49 1.654 30.069 3.174 1.00 0.00 O ATOM 779 CB GLN A 49 3.955 31.184 4.577 1.00 0.00 C ATOM 780 CG GLN A 49 4.889 31.741 5.621 1.00 0.00 C ATOM 781 CD GLN A 49 4.391 31.656 7.043 1.00 0.00 C ATOM 782 OE1 GLN A 49 4.086 32.737 7.639 1.00 0.00 O ATOM 783 NE2 GLN A 49 4.022 30.504 7.558 1.00 0.00 N ATOM 0 H GLN A 49 2.132 31.041 6.337 1.00 0.00 H new ATOM 0 HA GLN A 49 2.630 32.986 4.432 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.795 30.126 4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.443 31.249 3.604 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.839 31.212 5.554 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.089 32.786 5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.263 29.633 7.085 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.494 30.481 8.431 1.00 0.00 H new ATOM 792 N LEU A 50 1.778 32.200 2.241 1.00 0.00 N ATOM 793 CA LEU A 50 1.368 31.870 0.896 1.00 0.00 C ATOM 794 C LEU A 50 2.361 31.059 0.153 1.00 0.00 C ATOM 795 O LEU A 50 3.561 31.271 0.312 1.00 0.00 O ATOM 796 CB LEU A 50 1.056 33.188 0.115 1.00 0.00 C ATOM 797 CG LEU A 50 0.126 34.116 0.953 1.00 0.00 C ATOM 798 CD1 LEU A 50 -0.247 35.346 0.065 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.154 33.372 1.398 1.00 0.00 C ATOM 0 H LEU A 50 1.946 33.197 2.375 1.00 0.00 H new ATOM 0 HA LEU A 50 0.475 31.250 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.985 33.709 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.579 32.949 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 50 0.645 34.436 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.899 36.015 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.661 35.878 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.763 35.004 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.782 34.046 1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.702 33.034 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.881 32.511 2.009 1.00 0.00 H new ATOM 811 N GLU A 51 1.855 30.189 -0.736 1.00 0.00 N ATOM 812 CA GLU A 51 2.711 29.291 -1.468 1.00 0.00 C ATOM 813 C GLU A 51 2.909 29.759 -2.962 1.00 0.00 C ATOM 814 O GLU A 51 1.928 30.132 -3.605 1.00 0.00 O ATOM 815 CB GLU A 51 2.004 27.906 -1.464 1.00 0.00 C ATOM 816 CG GLU A 51 1.913 27.318 -0.039 1.00 0.00 C ATOM 817 CD GLU A 51 1.501 25.780 0.093 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.567 25.310 1.237 1.00 0.00 O ATOM 819 OE2 GLU A 51 1.131 25.106 -0.866 1.00 0.00 O ATOM 0 H GLU A 51 0.862 30.102 -0.952 1.00 0.00 H new ATOM 0 HA GLU A 51 3.696 29.260 -1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.002 28.007 -1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.549 27.217 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.881 27.451 0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.192 27.910 0.525 1.00 0.00 H new ATOM 826 N ASP A 52 4.117 29.629 -3.524 1.00 0.00 N ATOM 827 CA ASP A 52 4.402 30.072 -4.898 1.00 0.00 C ATOM 828 C ASP A 52 3.372 29.633 -5.990 1.00 0.00 C ATOM 829 O ASP A 52 2.971 30.499 -6.749 1.00 0.00 O ATOM 830 CB ASP A 52 5.839 29.540 -5.217 1.00 0.00 C ATOM 831 CG ASP A 52 7.004 30.164 -4.389 1.00 0.00 C ATOM 832 OD1 ASP A 52 6.956 30.363 -3.203 1.00 0.00 O ATOM 833 OD2 ASP A 52 8.049 30.348 -5.001 1.00 0.00 O ATOM 0 H ASP A 52 4.919 29.218 -3.046 1.00 0.00 H new ATOM 0 HA ASP A 52 4.324 31.159 -4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.847 28.461 -5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.041 29.711 -6.275 1.00 0.00 H new ATOM 838 N GLY A 53 3.028 28.378 -6.067 1.00 0.00 N ATOM 839 CA GLY A 53 2.240 27.819 -7.139 1.00 0.00 C ATOM 840 C GLY A 53 0.781 28.132 -7.092 1.00 0.00 C ATOM 841 O GLY A 53 0.104 27.810 -8.033 1.00 0.00 O ATOM 0 H GLY A 53 3.296 27.690 -5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.641 28.178 -8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.362 26.736 -7.131 1.00 0.00 H new ATOM 845 N ARG A 54 0.302 28.763 -6.043 1.00 0.00 N ATOM 846 CA ARG A 54 -1.101 29.117 -5.980 1.00 0.00 C ATOM 847 C ARG A 54 -1.308 30.535 -6.533 1.00 0.00 C ATOM 848 O ARG A 54 -0.389 31.320 -6.736 1.00 0.00 O ATOM 849 CB ARG A 54 -1.526 29.083 -4.532 1.00 0.00 C ATOM 850 CG ARG A 54 -1.138 27.795 -3.711 1.00 0.00 C ATOM 851 CD ARG A 54 -1.554 26.425 -4.264 1.00 0.00 C ATOM 852 NE ARG A 54 -0.782 25.428 -3.417 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.437 24.408 -2.876 1.00 0.00 C ATOM 854 NH1 ARG A 54 -2.207 23.630 -3.559 1.00 0.00 N ATOM 855 NH2 ARG A 54 -0.943 23.846 -1.822 1.00 0.00 N ATOM 0 H ARG A 54 0.854 29.039 -5.231 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.690 28.417 -6.573 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.095 29.949 -4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.609 29.198 -4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.054 27.790 -3.593 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.567 27.895 -2.714 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.630 26.271 -4.178 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.302 26.329 -5.320 1.00 0.00 H new ATOM 0 HE ARG A 54 0.221 25.540 -3.267 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.333 23.787 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.690 22.858 -3.099 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.068 24.188 -1.424 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.428 23.061 -1.388 1.00 0.00 H new ATOM 869 N THR A 55 -2.581 30.838 -6.784 1.00 0.00 N ATOM 870 CA THR A 55 -2.984 32.122 -7.420 1.00 0.00 C ATOM 871 C THR A 55 -3.489 33.145 -6.354 1.00 0.00 C ATOM 872 O THR A 55 -3.799 32.807 -5.179 1.00 0.00 O ATOM 873 CB THR A 55 -4.106 32.008 -8.511 1.00 0.00 C ATOM 874 OG1 THR A 55 -5.274 31.404 -7.935 1.00 0.00 O ATOM 875 CG2 THR A 55 -3.582 31.103 -9.640 1.00 0.00 C ATOM 0 H THR A 55 -3.362 30.221 -6.562 1.00 0.00 H new ATOM 0 HA THR A 55 -2.071 32.455 -7.913 1.00 0.00 H new ATOM 0 HB THR A 55 -4.361 32.996 -8.894 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.842 31.044 -8.648 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.345 31.007 -10.413 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.682 31.542 -10.071 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.348 30.118 -9.237 1.00 0.00 H new ATOM 883 N LEU A 56 -3.557 34.419 -6.774 1.00 0.00 N ATOM 884 CA LEU A 56 -4.343 35.457 -6.063 1.00 0.00 C ATOM 885 C LEU A 56 -5.847 35.155 -6.045 1.00 0.00 C ATOM 886 O LEU A 56 -6.569 35.406 -5.018 1.00 0.00 O ATOM 887 CB LEU A 56 -3.981 36.804 -6.816 1.00 0.00 C ATOM 888 CG LEU A 56 -2.637 37.440 -6.458 1.00 0.00 C ATOM 889 CD1 LEU A 56 -2.163 37.272 -5.023 1.00 0.00 C ATOM 890 CD2 LEU A 56 -1.459 36.933 -7.344 1.00 0.00 C ATOM 0 H LEU A 56 -3.077 34.762 -7.606 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.093 35.510 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.993 36.610 -7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.768 37.531 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.870 38.491 -6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.200 37.767 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.891 37.717 -4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.058 36.211 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.535 37.424 -7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.353 35.855 -7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.664 37.165 -8.389 1.00 0.00 H new ATOM 902 N SER A 57 -6.325 34.451 -7.130 1.00 0.00 N ATOM 903 CA SER A 57 -7.648 33.845 -7.092 1.00 0.00 C ATOM 904 C SER A 57 -7.854 32.782 -6.021 1.00 0.00 C ATOM 905 O SER A 57 -8.941 32.764 -5.437 1.00 0.00 O ATOM 906 CB SER A 57 -8.206 33.293 -8.471 1.00 0.00 C ATOM 907 OG SER A 57 -7.971 34.242 -9.469 1.00 0.00 O ATOM 0 H SER A 57 -5.811 34.309 -8.000 1.00 0.00 H new ATOM 0 HA SER A 57 -8.236 34.723 -6.824 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.719 32.351 -8.724 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.273 33.088 -8.390 1.00 0.00 H new ATOM 0 HG SER A 57 -7.010 34.290 -9.655 1.00 0.00 H new ATOM 913 N ASP A 58 -6.870 31.908 -5.763 1.00 0.00 N ATOM 914 CA ASP A 58 -6.944 30.864 -4.752 1.00 0.00 C ATOM 915 C ASP A 58 -7.033 31.394 -3.329 1.00 0.00 C ATOM 916 O ASP A 58 -7.643 30.744 -2.480 1.00 0.00 O ATOM 917 CB ASP A 58 -5.757 29.845 -4.807 1.00 0.00 C ATOM 918 CG ASP A 58 -5.703 29.073 -6.131 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.763 28.585 -6.592 1.00 0.00 O ATOM 920 OD2 ASP A 58 -4.566 28.937 -6.632 1.00 0.00 O ATOM 0 H ASP A 58 -5.984 31.915 -6.268 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.872 30.351 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.818 30.379 -4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.851 29.138 -3.982 1.00 0.00 H new ATOM 925 N TYR A 59 -6.398 32.521 -3.046 1.00 0.00 N ATOM 926 CA TYR A 59 -6.540 33.163 -1.748 1.00 0.00 C ATOM 927 C TYR A 59 -7.609 34.275 -1.720 1.00 0.00 C ATOM 928 O TYR A 59 -7.988 34.688 -0.632 1.00 0.00 O ATOM 929 CB TYR A 59 -5.147 33.681 -1.380 1.00 0.00 C ATOM 930 CG TYR A 59 -4.121 32.496 -1.322 1.00 0.00 C ATOM 931 CD1 TYR A 59 -2.899 32.620 -1.978 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.219 31.477 -0.348 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.882 31.614 -1.838 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.268 30.475 -0.233 1.00 0.00 C ATOM 935 CZ TYR A 59 -2.027 30.528 -0.901 1.00 0.00 C ATOM 936 OH TYR A 59 -1.095 29.465 -0.689 1.00 0.00 O ATOM 0 H TYR A 59 -5.781 33.009 -3.695 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.905 32.446 -1.013 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.820 34.418 -2.114 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.183 34.187 -0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.713 33.483 -2.600 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.061 31.479 0.328 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.992 31.673 -2.447 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.486 29.621 0.392 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.438 28.863 0.004 1.00 0.00 H new ATOM 946 N ASN A 60 -8.183 34.587 -2.879 1.00 0.00 N ATOM 947 CA ASN A 60 -9.327 35.566 -3.047 1.00 0.00 C ATOM 948 C ASN A 60 -8.897 36.983 -2.633 1.00 0.00 C ATOM 949 O ASN A 60 -9.360 37.555 -1.651 1.00 0.00 O ATOM 950 CB ASN A 60 -10.632 35.052 -2.351 1.00 0.00 C ATOM 951 CG ASN A 60 -11.889 35.709 -2.933 1.00 0.00 C ATOM 952 OD1 ASN A 60 -12.340 36.721 -2.365 1.00 0.00 O ATOM 953 ND2 ASN A 60 -12.450 35.155 -3.940 1.00 0.00 N ATOM 0 H ASN A 60 -7.883 34.175 -3.762 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.585 35.634 -4.104 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.702 33.970 -2.465 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.578 35.257 -1.282 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.314 35.542 -4.319 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.033 34.326 -4.364 1.00 0.00 H new ATOM 960 N ILE A 61 -7.956 37.489 -3.412 1.00 0.00 N ATOM 961 CA ILE A 61 -7.360 38.789 -3.185 1.00 0.00 C ATOM 962 C ILE A 61 -8.019 39.817 -4.148 1.00 0.00 C ATOM 963 O ILE A 61 -7.882 39.851 -5.385 1.00 0.00 O ATOM 964 CB ILE A 61 -5.889 38.622 -3.387 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.314 37.421 -2.583 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.261 40.007 -3.043 1.00 0.00 C ATOM 967 CD1 ILE A 61 -5.592 37.416 -1.022 1.00 0.00 C ATOM 0 H ILE A 61 -7.583 37.002 -4.227 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.525 39.174 -2.179 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.640 38.354 -4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.721 36.502 -3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.235 37.392 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.180 39.958 -3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.670 40.767 -3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.494 40.266 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.141 36.530 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.159 38.309 -0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.667 37.405 -0.844 1.00 0.00 H new ATOM 979 N GLN A 62 -8.786 40.680 -3.449 1.00 0.00 N ATOM 980 CA GLN A 62 -9.559 41.811 -3.971 1.00 0.00 C ATOM 981 C GLN A 62 -8.782 43.044 -4.336 1.00 0.00 C ATOM 982 O GLN A 62 -7.602 43.099 -4.102 1.00 0.00 O ATOM 983 CB GLN A 62 -10.648 42.143 -2.898 1.00 0.00 C ATOM 984 CG GLN A 62 -11.542 40.901 -2.725 1.00 0.00 C ATOM 985 CD GLN A 62 -11.942 40.225 -4.059 1.00 0.00 C ATOM 986 OE1 GLN A 62 -12.362 40.927 -4.979 1.00 0.00 O ATOM 987 NE2 GLN A 62 -11.792 38.912 -4.182 1.00 0.00 N ATOM 0 H GLN A 62 -8.884 40.593 -2.437 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.976 41.498 -4.928 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.180 42.410 -1.951 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.244 43.000 -3.212 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.020 40.174 -2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.447 41.188 -2.189 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.441 38.363 -3.397 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.028 38.452 -5.061 1.00 0.00 H new ATOM 996 N LYS A 63 -9.437 43.976 -5.038 1.00 0.00 N ATOM 997 CA LYS A 63 -8.645 45.042 -5.679 1.00 0.00 C ATOM 998 C LYS A 63 -8.059 45.969 -4.645 1.00 0.00 C ATOM 999 O LYS A 63 -8.770 46.567 -3.859 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.600 45.778 -6.709 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.082 47.119 -7.346 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.304 47.883 -8.023 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.973 49.402 -8.462 1.00 0.00 C ATOM 1004 NZ LYS A 63 -9.742 50.284 -7.307 1.00 0.00 N ATOM 0 H LYS A 63 -10.447 44.021 -5.175 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.788 44.635 -6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.820 45.083 -7.520 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.543 45.987 -6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.624 47.746 -6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.312 46.909 -8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.625 47.324 -8.902 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.143 47.892 -7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.091 49.408 -9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.799 49.794 -9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.268 51.171 -7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.068 49.812 -6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.726 50.493 -7.227 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.733 46.007 -4.578 1.00 0.00 N ATOM 1019 CA GLU A 64 -5.987 46.964 -3.766 1.00 0.00 C ATOM 1020 C GLU A 64 -5.922 46.436 -2.314 1.00 0.00 C ATOM 1021 O GLU A 64 -5.773 47.134 -1.330 1.00 0.00 O ATOM 1022 CB GLU A 64 -6.490 48.464 -3.930 1.00 0.00 C ATOM 1023 CG GLU A 64 -5.930 49.046 -5.261 1.00 0.00 C ATOM 1024 CD GLU A 64 -6.620 50.366 -5.680 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -7.013 50.419 -6.865 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -6.832 51.217 -4.801 1.00 0.00 O ATOM 0 H GLU A 64 -6.135 45.363 -5.095 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.962 47.034 -4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.579 48.497 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.156 49.067 -3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.859 49.220 -5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.055 48.309 -6.055 1.00 0.00 H new ATOM 1033 N SER A 65 -5.942 45.117 -2.169 1.00 0.00 N ATOM 1034 CA SER A 65 -5.659 44.478 -0.894 1.00 0.00 C ATOM 1035 C SER A 65 -4.172 44.395 -0.479 1.00 0.00 C ATOM 1036 O SER A 65 -3.252 44.426 -1.280 1.00 0.00 O ATOM 1037 CB SER A 65 -6.322 43.062 -1.109 1.00 0.00 C ATOM 1038 OG SER A 65 -6.541 42.425 0.136 1.00 0.00 O ATOM 0 H SER A 65 -6.153 44.467 -2.926 1.00 0.00 H new ATOM 0 HA SER A 65 -6.050 45.054 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.268 43.173 -1.639 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.678 42.443 -1.733 1.00 0.00 H new ATOM 0 HG SER A 65 -6.954 41.549 -0.013 1.00 0.00 H new ATOM 1044 N THR A 66 -3.882 44.328 0.833 1.00 0.00 N ATOM 1045 CA THR A 66 -2.467 44.277 1.253 1.00 0.00 C ATOM 1046 C THR A 66 -2.014 42.844 1.644 1.00 0.00 C ATOM 1047 O THR A 66 -2.510 42.290 2.595 1.00 0.00 O ATOM 1048 CB THR A 66 -2.312 45.137 2.490 1.00 0.00 C ATOM 1049 OG1 THR A 66 -2.883 46.446 2.376 1.00 0.00 O ATOM 1050 CG2 THR A 66 -0.781 45.303 2.716 1.00 0.00 C ATOM 0 H THR A 66 -4.568 44.309 1.588 1.00 0.00 H new ATOM 0 HA THR A 66 -1.863 44.620 0.413 1.00 0.00 H new ATOM 0 HB THR A 66 -2.838 44.644 3.308 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.744 46.937 3.212 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.608 45.918 3.599 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.326 44.323 2.861 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.335 45.785 1.846 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.989 42.261 0.990 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.273 41.126 1.546 1.00 0.00 C ATOM 1060 C LEU A 67 1.047 41.571 2.248 1.00 0.00 C ATOM 1061 O LEU A 67 1.807 42.446 1.841 1.00 0.00 O ATOM 1062 CB LEU A 67 -0.010 40.048 0.453 1.00 0.00 C ATOM 1063 CG LEU A 67 -1.009 40.024 -0.765 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -0.407 39.305 -2.006 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.231 39.216 -0.356 1.00 0.00 C ATOM 0 H LEU A 67 -0.649 42.567 0.078 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.903 40.674 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.998 40.195 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.029 39.068 0.929 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.239 41.058 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.133 39.314 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.499 39.822 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.165 38.274 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.940 39.184 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.927 38.201 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.703 39.683 0.508 1.00 0.00 H new ATOM 1077 N HIS A 68 1.331 40.911 3.379 1.00 0.00 N ATOM 1078 CA HIS A 68 2.439 41.266 4.217 1.00 0.00 C ATOM 1079 C HIS A 68 3.685 40.488 3.761 1.00 0.00 C ATOM 1080 O HIS A 68 3.627 39.310 3.452 1.00 0.00 O ATOM 1081 CB HIS A 68 2.138 40.886 5.668 1.00 0.00 C ATOM 1082 CG HIS A 68 0.964 41.696 6.135 1.00 0.00 C ATOM 1083 ND1 HIS A 68 0.073 41.144 6.979 1.00 0.00 N ATOM 1084 CD2 HIS A 68 0.403 42.860 5.647 1.00 0.00 C ATOM 1085 CE1 HIS A 68 -1.018 41.963 6.996 1.00 0.00 C ATOM 1086 NE2 HIS A 68 -0.854 43.054 6.196 1.00 0.00 N ATOM 0 H HIS A 68 0.787 40.119 3.722 1.00 0.00 H new ATOM 0 HA HIS A 68 2.610 42.340 4.145 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.918 39.821 5.744 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.006 41.078 6.298 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.877 43.524 4.939 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.908 41.769 7.576 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.501 43.827 6.039 1.00 0.00 H new ATOM 1094 N LEU A 69 4.827 41.206 3.728 1.00 0.00 N ATOM 1095 CA LEU A 69 6.124 40.640 3.361 1.00 0.00 C ATOM 1096 C LEU A 69 7.044 40.838 4.550 1.00 0.00 C ATOM 1097 O LEU A 69 7.112 41.925 5.191 1.00 0.00 O ATOM 1098 CB LEU A 69 6.692 41.346 2.094 1.00 0.00 C ATOM 1099 CG LEU A 69 7.966 40.673 1.561 1.00 0.00 C ATOM 1100 CD1 LEU A 69 7.694 39.348 0.849 1.00 0.00 C ATOM 1101 CD2 LEU A 69 8.700 41.604 0.493 1.00 0.00 C ATOM 0 H LEU A 69 4.866 42.199 3.958 1.00 0.00 H new ATOM 0 HA LEU A 69 6.032 39.581 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.932 41.347 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.908 42.388 2.330 1.00 0.00 H new ATOM 0 HG LEU A 69 8.580 40.499 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.635 38.924 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.220 38.653 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.033 39.520 -0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.599 41.104 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.029 41.795 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.974 42.549 0.962 1.00 0.00 H new ATOM 1113 N VAL A 70 7.638 39.686 4.897 1.00 0.00 N ATOM 1114 CA VAL A 70 8.502 39.564 6.037 1.00 0.00 C ATOM 1115 C VAL A 70 9.660 38.780 5.471 1.00 0.00 C ATOM 1116 O VAL A 70 9.452 37.991 4.588 1.00 0.00 O ATOM 1117 CB VAL A 70 7.948 38.745 7.231 1.00 0.00 C ATOM 1118 CG1 VAL A 70 8.996 38.526 8.369 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.749 39.507 7.822 1.00 0.00 C ATOM 0 H VAL A 70 7.519 38.817 4.377 1.00 0.00 H new ATOM 0 HA VAL A 70 8.699 40.554 6.447 1.00 0.00 H new ATOM 0 HB VAL A 70 7.671 37.762 6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.544 37.946 9.173 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.856 37.987 7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.320 39.492 8.756 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.342 38.948 8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.074 40.490 8.162 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.980 39.623 7.059 1.00 0.00 H new ATOM 1129 N LEU A 71 10.851 39.080 5.913 1.00 0.00 N ATOM 1130 CA LEU A 71 12.091 38.527 5.260 1.00 0.00 C ATOM 1131 C LEU A 71 12.718 37.417 6.126 1.00 0.00 C ATOM 1132 O LEU A 71 12.539 37.435 7.322 1.00 0.00 O ATOM 1133 CB LEU A 71 13.197 39.624 5.007 1.00 0.00 C ATOM 1134 CG LEU A 71 12.683 40.703 4.000 1.00 0.00 C ATOM 1135 CD1 LEU A 71 13.649 41.902 3.923 1.00 0.00 C ATOM 1136 CD2 LEU A 71 12.485 40.134 2.559 1.00 0.00 C ATOM 0 H LEU A 71 11.028 39.692 6.709 1.00 0.00 H new ATOM 0 HA LEU A 71 11.763 38.133 4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.468 40.099 5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 71 14.100 39.154 4.616 1.00 0.00 H new ATOM 0 HG LEU A 71 11.715 41.026 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.263 42.635 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.738 42.361 4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.629 41.559 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.127 40.926 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.435 39.753 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.754 39.325 2.584 1.00 0.00 H new ATOM 1148 N ARG A 72 13.472 36.452 5.534 1.00 0.00 N ATOM 1149 CA ARG A 72 14.276 35.459 6.339 1.00 0.00 C ATOM 1150 C ARG A 72 15.404 36.039 7.094 1.00 0.00 C ATOM 1151 O ARG A 72 16.273 36.716 6.550 1.00 0.00 O ATOM 1152 CB ARG A 72 14.795 34.238 5.505 1.00 0.00 C ATOM 1153 CG ARG A 72 15.790 33.274 6.299 1.00 0.00 C ATOM 1154 CD ARG A 72 16.113 31.951 5.563 1.00 0.00 C ATOM 1155 NE ARG A 72 16.815 32.272 4.286 1.00 0.00 N ATOM 1156 CZ ARG A 72 16.568 31.660 3.109 1.00 0.00 C ATOM 1157 NH1 ARG A 72 16.085 30.465 2.945 1.00 0.00 N ATOM 1158 NH2 ARG A 72 16.931 32.225 2.071 1.00 0.00 N ATOM 0 H ARG A 72 13.548 36.331 4.524 1.00 0.00 H new ATOM 0 HA ARG A 72 13.541 35.105 7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.939 33.656 5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.302 34.610 4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.721 33.808 6.489 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.353 33.040 7.270 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.739 31.314 6.188 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.196 31.397 5.361 1.00 0.00 H new ATOM 0 HE ARG A 72 17.528 33.001 4.304 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.853 29.893 3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.937 30.099 2.004 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.403 33.128 2.120 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.759 31.788 1.166 1.00 0.00 H new ATOM 1172 N LEU A 73 15.446 35.729 8.433 1.00 0.00 N ATOM 1173 CA LEU A 73 16.475 36.234 9.251 1.00 0.00 C ATOM 1174 C LEU A 73 17.633 35.247 9.216 1.00 0.00 C ATOM 1175 O LEU A 73 17.433 34.031 9.373 1.00 0.00 O ATOM 1176 CB LEU A 73 15.975 36.416 10.759 1.00 0.00 C ATOM 1177 CG LEU A 73 14.973 37.574 10.987 1.00 0.00 C ATOM 1178 CD1 LEU A 73 13.521 37.387 10.442 1.00 0.00 C ATOM 1179 CD2 LEU A 73 14.986 37.842 12.531 1.00 0.00 C ATOM 0 H LEU A 73 14.767 35.138 8.912 1.00 0.00 H new ATOM 0 HA LEU A 73 16.784 37.211 8.880 1.00 0.00 H new ATOM 0 HB2 LEU A 73 15.510 35.486 11.085 1.00 0.00 H new ATOM 0 HB3 LEU A 73 16.844 36.579 11.396 1.00 0.00 H new ATOM 0 HG LEU A 73 15.307 38.423 10.391 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.929 38.273 10.672 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.554 37.242 9.362 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.066 36.515 10.911 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.297 38.653 12.765 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.678 36.940 13.059 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.993 38.120 12.844 1.00 0.00 H new ATOM 1191 N ARG A 74 18.880 35.783 9.057 1.00 0.00 N ATOM 1192 CA ARG A 74 20.075 35.028 9.049 1.00 0.00 C ATOM 1193 C ARG A 74 20.828 35.263 10.349 1.00 0.00 C ATOM 1194 O ARG A 74 20.950 36.370 10.865 1.00 0.00 O ATOM 1195 CB ARG A 74 20.927 35.555 7.895 1.00 0.00 C ATOM 1196 CG ARG A 74 20.227 35.345 6.504 1.00 0.00 C ATOM 1197 CD ARG A 74 21.180 35.813 5.349 1.00 0.00 C ATOM 1198 NE ARG A 74 20.637 35.377 4.054 1.00 0.00 N ATOM 1199 CZ ARG A 74 20.834 36.033 2.909 1.00 0.00 C ATOM 1200 NH1 ARG A 74 21.245 37.285 2.781 1.00 0.00 N ATOM 1201 NH2 ARG A 74 20.780 35.353 1.799 1.00 0.00 N ATOM 0 H ARG A 74 19.036 36.783 8.931 1.00 0.00 H new ATOM 0 HA ARG A 74 19.862 33.965 8.941 1.00 0.00 H new ATOM 0 HB2 ARG A 74 21.124 36.616 8.045 1.00 0.00 H new ATOM 0 HB3 ARG A 74 21.892 35.048 7.896 1.00 0.00 H new ATOM 0 HG2 ARG A 74 19.970 34.294 6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 74 19.294 35.908 6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 74 21.282 36.898 5.365 1.00 0.00 H new ATOM 0 HD3 ARG A 74 22.177 35.397 5.495 1.00 0.00 H new ATOM 0 HE ARG A 74 20.078 34.524 4.030 1.00 0.00 H new ATOM 0 HH11 ARG A 74 21.444 37.844 3.611 1.00 0.00 H new ATOM 0 HH12 ARG A 74 21.363 37.691 1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 74 20.592 34.351 1.824 1.00 0.00 H new ATOM 0 HH22 ARG A 74 20.926 35.823 0.905 1.00 0.00 H new ATOM 1215 N GLY A 75 21.388 34.123 10.812 1.00 0.00 N ATOM 1216 CA GLY A 75 22.052 34.074 12.135 1.00 0.00 C ATOM 1217 C GLY A 75 21.271 33.079 12.958 1.00 0.00 C ATOM 1218 O GLY A 75 20.947 31.998 12.449 1.00 0.00 O ATOM 0 H GLY A 75 21.395 33.240 10.301 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.093 33.767 12.037 1.00 0.00 H new ATOM 0 HA3 GLY A 75 22.052 35.056 12.608 1.00 0.00 H new ATOM 1222 N GLY A 76 21.064 33.362 14.270 1.00 0.00 N ATOM 1223 CA GLY A 76 20.197 32.556 15.102 1.00 0.00 C ATOM 1224 C GLY A 76 19.001 33.340 15.683 1.00 0.00 C ATOM 1225 O GLY A 76 18.173 32.694 16.344 1.00 0.00 O ATOM 1226 OXT GLY A 76 18.858 34.518 15.358 1.00 0.00 O ATOM 0 H GLY A 76 21.496 34.148 14.755 1.00 0.00 H new ATOM 0 HA2 GLY A 76 19.822 31.717 14.516 1.00 0.00 H new ATOM 0 HA3 GLY A 76 20.780 32.137 15.922 1.00 0.00 H new TER 1230 GLY A 76