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 7 THR OG1 : rot 160:sc= -0.139 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 172:sc= -0.743 (180deg=-0.776) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.25 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= -0.0121 K(o=-0.012,f=-1.3) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc=-0.00303 (180deg=-0.0817) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.0116 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 25 ASN : amide:sc= -0.823 K(o=-0.82,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.204 K(o=-0.2,f=-4.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.639 X(o=-0.64,f=-0.91) USER MOD Single : A 41 GLN : amide:sc= -0.186 K(o=-0.19,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.169) USER MOD Single : A 49 GLN : amide:sc= 0.482 K(o=0.48,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.782 USER MOD Single : A 60 ASN : amide:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.32 X(o=0.32,f=-0.036) USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= 1.18 (180deg=0.776) USER MOD Single : A 65 SER OG : rot 86:sc= 1.16 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.052 44.212 -12.552 1.00 0.00 N ATOM 2 CA MET A 1 -4.765 44.746 -11.345 1.00 0.00 C ATOM 3 C MET A 1 -3.685 44.961 -10.257 1.00 0.00 C ATOM 4 O MET A 1 -2.640 44.321 -10.269 1.00 0.00 O ATOM 5 CB MET A 1 -5.931 43.872 -10.827 1.00 0.00 C ATOM 6 CG MET A 1 -5.558 42.769 -9.704 1.00 0.00 C ATOM 7 SD MET A 1 -6.898 41.553 -9.397 1.00 0.00 S ATOM 8 CE MET A 1 -5.962 40.299 -8.399 1.00 0.00 C ATOM 0 H1 MET A 1 -4.740 43.769 -13.194 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.572 44.992 -13.045 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.349 43.505 -12.256 1.00 0.00 H new ATOM 0 HA MET A 1 -5.263 45.675 -11.622 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.697 44.531 -10.418 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.376 43.356 -11.678 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.659 42.236 -10.014 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.320 43.279 -8.770 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.656 39.557 -8.005 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.225 39.806 -9.033 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.455 40.797 -7.572 1.00 0.00 H new ATOM 18 N GLN A 2 -4.014 45.845 -9.329 1.00 0.00 N ATOM 19 CA GLN A 2 -3.024 46.335 -8.301 1.00 0.00 C ATOM 20 C GLN A 2 -3.168 45.664 -6.946 1.00 0.00 C ATOM 21 O GLN A 2 -4.268 45.339 -6.560 1.00 0.00 O ATOM 22 CB GLN A 2 -3.108 47.845 -8.063 1.00 0.00 C ATOM 23 CG GLN A 2 -4.466 48.294 -7.447 1.00 0.00 C ATOM 24 CD GLN A 2 -4.415 49.805 -7.257 1.00 0.00 C ATOM 25 OE1 GLN A 2 -3.370 50.308 -6.788 1.00 0.00 O ATOM 26 NE2 GLN A 2 -5.445 50.587 -7.595 1.00 0.00 N ATOM 0 H GLN A 2 -4.944 46.254 -9.241 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.061 46.072 -8.739 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.298 48.147 -7.400 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.956 48.364 -9.009 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.292 48.019 -8.103 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.636 47.795 -6.493 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.295 50.173 -7.977 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.380 51.597 -7.471 1.00 0.00 H new ATOM 35 N ILE A 3 -2.009 45.517 -6.263 1.00 0.00 N ATOM 36 CA ILE A 3 -1.892 45.043 -4.888 1.00 0.00 C ATOM 37 C ILE A 3 -0.799 45.895 -4.288 1.00 0.00 C ATOM 38 O ILE A 3 0.073 46.497 -4.962 1.00 0.00 O ATOM 39 CB ILE A 3 -1.525 43.545 -4.644 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.093 43.232 -5.318 1.00 0.00 C ATOM 41 CG2 ILE A 3 -2.735 42.697 -5.178 1.00 0.00 C ATOM 42 CD1 ILE A 3 0.392 41.794 -5.133 1.00 0.00 C ATOM 0 H ILE A 3 -1.104 45.736 -6.680 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.886 45.123 -4.448 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.390 43.286 -3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.152 43.448 -6.385 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.649 43.910 -4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.529 41.637 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.639 42.970 -4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.877 42.895 -6.240 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.361 41.672 -5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.488 41.576 -4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.326 41.107 -5.581 1.00 0.00 H new ATOM 54 N PHE A 4 -0.890 45.880 -2.987 1.00 0.00 N ATOM 55 CA PHE A 4 0.043 46.610 -2.164 1.00 0.00 C ATOM 56 C PHE A 4 0.676 45.590 -1.307 1.00 0.00 C ATOM 57 O PHE A 4 -0.034 44.682 -0.793 1.00 0.00 O ATOM 58 CB PHE A 4 -0.608 47.693 -1.281 1.00 0.00 C ATOM 59 CG PHE A 4 -1.628 48.499 -2.021 1.00 0.00 C ATOM 60 CD1 PHE A 4 -2.978 48.465 -1.690 1.00 0.00 C ATOM 61 CD2 PHE A 4 -1.225 49.249 -3.094 1.00 0.00 C ATOM 62 CE1 PHE A 4 -3.863 49.122 -2.544 1.00 0.00 C ATOM 63 CE2 PHE A 4 -2.108 49.961 -3.926 1.00 0.00 C ATOM 64 CZ PHE A 4 -3.475 49.908 -3.618 1.00 0.00 C ATOM 0 H PHE A 4 -1.604 45.368 -2.468 1.00 0.00 H new ATOM 0 HA PHE A 4 0.742 47.151 -2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.079 47.220 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.166 48.357 -0.896 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.327 47.950 -0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.169 49.296 -3.314 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.921 49.011 -2.356 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.746 50.528 -4.771 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.200 50.460 -4.197 1.00 0.00 H new ATOM 74 N VAL A 5 2.036 45.669 -1.221 1.00 0.00 N ATOM 75 CA VAL A 5 2.763 44.807 -0.361 1.00 0.00 C ATOM 76 C VAL A 5 3.517 45.661 0.626 1.00 0.00 C ATOM 77 O VAL A 5 4.237 46.537 0.248 1.00 0.00 O ATOM 78 CB VAL A 5 3.773 43.985 -1.164 1.00 0.00 C ATOM 79 CG1 VAL A 5 4.608 43.014 -0.325 1.00 0.00 C ATOM 80 CG2 VAL A 5 3.009 43.160 -2.190 1.00 0.00 C ATOM 0 H VAL A 5 2.608 46.328 -1.748 1.00 0.00 H new ATOM 0 HA VAL A 5 2.075 44.130 0.145 1.00 0.00 H new ATOM 0 HB VAL A 5 4.464 44.700 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.297 42.473 -0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.174 43.572 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.948 42.305 0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.711 42.565 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.311 42.498 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.457 43.825 -2.854 1.00 0.00 H new ATOM 90 N LYS A 6 3.315 45.439 1.959 1.00 0.00 N ATOM 91 CA LYS A 6 3.803 46.255 3.090 1.00 0.00 C ATOM 92 C LYS A 6 4.969 45.541 3.713 1.00 0.00 C ATOM 93 O LYS A 6 4.889 44.372 3.980 1.00 0.00 O ATOM 94 CB LYS A 6 2.710 46.360 4.200 1.00 0.00 C ATOM 95 CG LYS A 6 3.156 46.656 5.708 1.00 0.00 C ATOM 96 CD LYS A 6 3.708 48.119 6.018 1.00 0.00 C ATOM 97 CE LYS A 6 2.618 49.233 6.125 1.00 0.00 C ATOM 98 NZ LYS A 6 1.567 48.950 7.096 1.00 0.00 N ATOM 0 H LYS A 6 2.774 44.636 2.281 1.00 0.00 H new ATOM 0 HA LYS A 6 4.065 47.246 2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.015 47.145 3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.152 45.424 4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.301 46.470 6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.927 45.936 5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.266 48.088 6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.413 48.397 5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.100 50.173 6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.163 49.376 5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.952 49.783 7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.003 48.139 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.996 48.726 8.017 1.00 0.00 H new ATOM 112 N THR A 7 6.000 46.284 3.997 1.00 0.00 N ATOM 113 CA THR A 7 7.217 45.709 4.647 1.00 0.00 C ATOM 114 C THR A 7 7.222 45.870 6.158 1.00 0.00 C ATOM 115 O THR A 7 6.444 46.649 6.688 1.00 0.00 O ATOM 116 CB THR A 7 8.510 46.340 4.090 1.00 0.00 C ATOM 117 OG1 THR A 7 8.786 47.681 4.485 1.00 0.00 O ATOM 118 CG2 THR A 7 8.521 46.322 2.546 1.00 0.00 C ATOM 0 H THR A 7 6.055 47.284 3.804 1.00 0.00 H new ATOM 0 HA THR A 7 7.185 44.645 4.412 1.00 0.00 H new ATOM 0 HB THR A 7 9.283 45.709 4.529 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.739 47.870 4.357 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.445 46.773 2.183 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.457 45.292 2.194 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.669 46.888 2.169 1.00 0.00 H new ATOM 126 N LEU A 8 8.145 45.118 6.843 1.00 0.00 N ATOM 127 CA LEU A 8 8.296 45.165 8.308 1.00 0.00 C ATOM 128 C LEU A 8 8.834 46.543 8.852 1.00 0.00 C ATOM 129 O LEU A 8 8.377 47.009 9.907 1.00 0.00 O ATOM 130 CB LEU A 8 9.195 43.953 8.725 1.00 0.00 C ATOM 131 CG LEU A 8 9.737 44.008 10.171 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.637 43.761 11.267 1.00 0.00 C ATOM 133 CD2 LEU A 8 10.823 42.858 10.316 1.00 0.00 C ATOM 0 H LEU A 8 8.790 44.474 6.385 1.00 0.00 H new ATOM 0 HA LEU A 8 7.313 45.082 8.771 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.620 43.035 8.603 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.040 43.894 8.039 1.00 0.00 H new ATOM 0 HG LEU A 8 10.137 45.009 10.332 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.091 43.814 12.257 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.861 44.522 11.182 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.195 42.775 11.123 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.229 42.866 11.328 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.358 41.892 10.120 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.628 43.026 9.601 1.00 0.00 H new ATOM 145 N THR A 9 9.676 47.288 8.068 1.00 0.00 N ATOM 146 CA THR A 9 10.015 48.671 8.404 1.00 0.00 C ATOM 147 C THR A 9 9.120 49.733 7.758 1.00 0.00 C ATOM 148 O THR A 9 9.456 50.883 7.905 1.00 0.00 O ATOM 149 CB THR A 9 11.437 49.052 8.088 1.00 0.00 C ATOM 150 OG1 THR A 9 11.717 48.807 6.735 1.00 0.00 O ATOM 151 CG2 THR A 9 12.347 48.145 8.980 1.00 0.00 C ATOM 0 H THR A 9 10.116 46.941 7.216 1.00 0.00 H new ATOM 0 HA THR A 9 9.854 48.670 9.482 1.00 0.00 H new ATOM 0 HB THR A 9 11.608 50.111 8.281 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.644 49.060 6.542 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.394 48.381 8.790 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.120 48.323 10.031 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.162 47.098 8.742 1.00 0.00 H new ATOM 159 N GLY A 10 7.940 49.421 7.252 1.00 0.00 N ATOM 160 CA GLY A 10 6.868 50.471 7.054 1.00 0.00 C ATOM 161 C GLY A 10 6.598 50.849 5.643 1.00 0.00 C ATOM 162 O GLY A 10 5.600 51.486 5.371 1.00 0.00 O ATOM 0 H GLY A 10 7.670 48.480 6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.941 50.108 7.499 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.155 51.367 7.604 1.00 0.00 H new ATOM 166 N LYS A 11 7.548 50.527 4.774 1.00 0.00 N ATOM 167 CA LYS A 11 7.478 50.838 3.327 1.00 0.00 C ATOM 168 C LYS A 11 6.395 50.033 2.586 1.00 0.00 C ATOM 169 O LYS A 11 6.119 48.945 3.018 1.00 0.00 O ATOM 170 CB LYS A 11 8.861 50.539 2.670 1.00 0.00 C ATOM 171 CG LYS A 11 9.834 51.745 2.857 1.00 0.00 C ATOM 172 CD LYS A 11 10.038 52.121 4.351 1.00 0.00 C ATOM 173 CE LYS A 11 10.984 53.358 4.558 1.00 0.00 C ATOM 174 NZ LYS A 11 11.579 53.327 5.952 1.00 0.00 N ATOM 0 H LYS A 11 8.402 50.038 5.043 1.00 0.00 H new ATOM 0 HA LYS A 11 7.215 51.892 3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.294 49.643 3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.728 50.334 1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.799 51.501 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.444 52.609 2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.068 52.335 4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.452 51.263 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.780 53.346 3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.425 54.282 4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.204 54.148 6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.815 53.359 6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.128 52.452 6.076 1.00 0.00 H new ATOM 188 N THR A 12 5.744 50.490 1.450 1.00 0.00 N ATOM 189 CA THR A 12 4.789 49.666 0.696 1.00 0.00 C ATOM 190 C THR A 12 5.234 49.609 -0.758 1.00 0.00 C ATOM 191 O THR A 12 5.516 50.638 -1.377 1.00 0.00 O ATOM 192 CB THR A 12 3.366 50.308 0.789 1.00 0.00 C ATOM 193 OG1 THR A 12 2.943 50.575 2.133 1.00 0.00 O ATOM 194 CG2 THR A 12 2.239 49.374 0.220 1.00 0.00 C ATOM 0 H THR A 12 5.882 51.423 1.061 1.00 0.00 H new ATOM 0 HA THR A 12 4.754 48.658 1.109 1.00 0.00 H new ATOM 0 HB THR A 12 3.481 51.225 0.212 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.049 50.976 2.121 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.274 49.872 0.311 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.439 49.160 -0.830 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.221 48.441 0.783 1.00 0.00 H new ATOM 202 N ILE A 13 5.266 48.385 -1.438 1.00 0.00 N ATOM 203 CA ILE A 13 5.654 48.300 -2.832 1.00 0.00 C ATOM 204 C ILE A 13 4.381 47.988 -3.658 1.00 0.00 C ATOM 205 O ILE A 13 3.705 47.059 -3.287 1.00 0.00 O ATOM 206 CB ILE A 13 6.699 47.122 -2.960 1.00 0.00 C ATOM 207 CG1 ILE A 13 7.877 47.281 -1.948 1.00 0.00 C ATOM 208 CG2 ILE A 13 7.096 46.970 -4.478 1.00 0.00 C ATOM 209 CD1 ILE A 13 8.621 45.902 -1.734 1.00 0.00 C ATOM 0 H ILE A 13 5.025 47.490 -1.012 1.00 0.00 H new ATOM 0 HA ILE A 13 6.100 49.226 -3.194 1.00 0.00 H new ATOM 0 HB ILE A 13 6.261 46.169 -2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.582 48.026 -2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.497 47.646 -0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.818 46.160 -4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.206 46.744 -5.066 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.539 47.901 -4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.438 46.036 -1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.918 45.166 -1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.020 45.552 -2.686 1.00 0.00 H new ATOM 221 N THR A 14 4.061 48.734 -4.730 1.00 0.00 N ATOM 222 CA THR A 14 2.751 48.658 -5.361 1.00 0.00 C ATOM 223 C THR A 14 2.930 47.938 -6.705 1.00 0.00 C ATOM 224 O THR A 14 3.764 48.324 -7.533 1.00 0.00 O ATOM 225 CB THR A 14 2.245 50.061 -5.628 1.00 0.00 C ATOM 226 OG1 THR A 14 1.875 50.655 -4.398 1.00 0.00 O ATOM 227 CG2 THR A 14 0.935 49.948 -6.488 1.00 0.00 C ATOM 0 H THR A 14 4.700 49.395 -5.171 1.00 0.00 H new ATOM 0 HA THR A 14 2.044 48.131 -4.720 1.00 0.00 H new ATOM 0 HB THR A 14 3.015 50.646 -6.132 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.547 51.564 -4.559 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.549 50.946 -6.695 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.159 49.443 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.187 49.376 -5.938 1.00 0.00 H new ATOM 235 N LEU A 15 2.272 46.798 -6.749 1.00 0.00 N ATOM 236 CA LEU A 15 2.502 45.877 -7.855 1.00 0.00 C ATOM 237 C LEU A 15 1.234 45.712 -8.693 1.00 0.00 C ATOM 238 O LEU A 15 0.136 45.395 -8.179 1.00 0.00 O ATOM 239 CB LEU A 15 2.902 44.423 -7.447 1.00 0.00 C ATOM 240 CG LEU A 15 4.131 44.379 -6.522 1.00 0.00 C ATOM 241 CD1 LEU A 15 4.174 43.048 -5.660 1.00 0.00 C ATOM 242 CD2 LEU A 15 5.392 44.742 -7.327 1.00 0.00 C ATOM 0 H LEU A 15 1.591 46.488 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 15 3.332 46.339 -8.390 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.059 43.946 -6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.109 43.842 -8.346 1.00 0.00 H new ATOM 0 HG LEU A 15 4.068 45.144 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.057 43.057 -5.021 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.279 42.986 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.216 42.185 -6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.263 44.711 -6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.523 44.027 -8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.284 45.745 -7.740 1.00 0.00 H new ATOM 254 N GLU A 16 1.439 45.760 -10.012 1.00 0.00 N ATOM 255 CA GLU A 16 0.393 45.346 -10.932 1.00 0.00 C ATOM 256 C GLU A 16 0.547 43.923 -11.555 1.00 0.00 C ATOM 257 O GLU A 16 1.488 43.668 -12.294 1.00 0.00 O ATOM 258 CB GLU A 16 0.400 46.393 -12.071 1.00 0.00 C ATOM 259 CG GLU A 16 -0.379 47.673 -11.570 1.00 0.00 C ATOM 260 CD GLU A 16 -0.501 48.778 -12.647 1.00 0.00 C ATOM 261 OE1 GLU A 16 -1.416 48.693 -13.485 1.00 0.00 O ATOM 262 OE2 GLU A 16 0.283 49.703 -12.632 1.00 0.00 O ATOM 0 H GLU A 16 2.303 46.075 -10.454 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.536 45.290 -10.365 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.423 46.653 -12.342 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.073 45.986 -12.965 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.378 47.378 -11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.131 48.081 -10.697 1.00 0.00 H new ATOM 269 N VAL A 17 -0.503 43.071 -11.263 1.00 0.00 N ATOM 270 CA VAL A 17 -0.519 41.582 -11.412 1.00 0.00 C ATOM 271 C VAL A 17 -1.967 41.092 -11.757 1.00 0.00 C ATOM 272 O VAL A 17 -2.949 41.865 -11.673 1.00 0.00 O ATOM 273 CB VAL A 17 -0.016 40.831 -10.134 1.00 0.00 C ATOM 274 CG1 VAL A 17 1.495 41.198 -9.924 1.00 0.00 C ATOM 275 CG2 VAL A 17 -0.845 41.264 -8.893 1.00 0.00 C ATOM 0 H VAL A 17 -1.389 43.427 -10.905 1.00 0.00 H new ATOM 0 HA VAL A 17 0.171 41.346 -12.223 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.133 39.755 -10.260 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.874 40.688 -9.038 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.070 40.886 -10.796 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.593 42.276 -9.792 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.484 40.734 -8.012 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.737 42.338 -8.740 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.896 41.024 -9.056 1.00 0.00 H new ATOM 285 N GLU A 18 -2.133 39.792 -12.150 1.00 0.00 N ATOM 286 CA GLU A 18 -3.430 39.282 -12.614 1.00 0.00 C ATOM 287 C GLU A 18 -3.986 38.136 -11.762 1.00 0.00 C ATOM 288 O GLU A 18 -3.201 37.450 -11.094 1.00 0.00 O ATOM 289 CB GLU A 18 -3.311 38.672 -14.068 1.00 0.00 C ATOM 290 CG GLU A 18 -2.980 39.772 -15.070 1.00 0.00 C ATOM 291 CD GLU A 18 -2.639 39.148 -16.460 1.00 0.00 C ATOM 292 OE1 GLU A 18 -3.171 39.719 -17.439 1.00 0.00 O ATOM 293 OE2 GLU A 18 -1.823 38.196 -16.477 1.00 0.00 O ATOM 0 H GLU A 18 -1.385 39.098 -12.149 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.087 40.150 -12.561 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.536 37.906 -14.087 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.247 38.186 -14.345 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.825 40.453 -15.166 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.136 40.360 -14.710 1.00 0.00 H new ATOM 300 N PRO A 19 -5.300 37.918 -11.720 1.00 0.00 N ATOM 301 CA PRO A 19 -5.869 36.653 -11.034 1.00 0.00 C ATOM 302 C PRO A 19 -5.186 35.298 -11.235 1.00 0.00 C ATOM 303 O PRO A 19 -4.934 34.593 -10.209 1.00 0.00 O ATOM 304 CB PRO A 19 -7.353 36.749 -11.494 1.00 0.00 C ATOM 305 CG PRO A 19 -7.585 38.281 -11.307 1.00 0.00 C ATOM 306 CD PRO A 19 -6.328 38.977 -11.866 1.00 0.00 C ATOM 0 HA PRO A 19 -5.697 36.661 -9.958 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.493 36.428 -12.526 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.022 36.146 -10.879 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.479 38.607 -11.838 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.731 38.527 -10.255 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.457 39.280 -12.905 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.073 39.874 -11.302 1.00 0.00 H new ATOM 314 N SER A 20 -4.854 34.962 -12.517 1.00 0.00 N ATOM 315 CA SER A 20 -4.173 33.784 -12.914 1.00 0.00 C ATOM 316 C SER A 20 -2.633 33.988 -12.839 1.00 0.00 C ATOM 317 O SER A 20 -1.886 33.226 -13.454 1.00 0.00 O ATOM 318 CB SER A 20 -4.645 33.281 -14.298 1.00 0.00 C ATOM 319 OG SER A 20 -4.705 34.386 -15.255 1.00 0.00 O ATOM 0 H SER A 20 -5.085 35.564 -13.308 1.00 0.00 H new ATOM 0 HA SER A 20 -4.427 32.992 -12.209 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.963 32.513 -14.664 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.628 32.818 -14.207 1.00 0.00 H new ATOM 0 HG SER A 20 -5.004 34.049 -16.125 1.00 0.00 H new ATOM 325 N ASP A 21 -2.185 34.919 -11.965 1.00 0.00 N ATOM 326 CA ASP A 21 -0.764 35.046 -11.613 1.00 0.00 C ATOM 327 C ASP A 21 -0.575 34.343 -10.246 1.00 0.00 C ATOM 328 O ASP A 21 -1.347 34.542 -9.330 1.00 0.00 O ATOM 329 CB ASP A 21 -0.200 36.557 -11.555 1.00 0.00 C ATOM 330 CG ASP A 21 -0.317 37.209 -12.956 1.00 0.00 C ATOM 331 OD1 ASP A 21 -0.629 36.514 -13.933 1.00 0.00 O ATOM 332 OD2 ASP A 21 -0.069 38.438 -13.054 1.00 0.00 O ATOM 0 H ASP A 21 -2.792 35.590 -11.494 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.183 34.582 -12.410 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.762 37.138 -10.824 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.840 36.556 -11.229 1.00 0.00 H new ATOM 337 N THR A 22 0.537 33.562 -10.150 1.00 0.00 N ATOM 338 CA THR A 22 0.992 32.847 -8.916 1.00 0.00 C ATOM 339 C THR A 22 1.706 33.795 -7.908 1.00 0.00 C ATOM 340 O THR A 22 2.065 34.913 -8.163 1.00 0.00 O ATOM 341 CB THR A 22 1.961 31.684 -9.230 1.00 0.00 C ATOM 342 OG1 THR A 22 3.095 32.172 -9.914 1.00 0.00 O ATOM 343 CG2 THR A 22 1.314 30.583 -10.123 1.00 0.00 C ATOM 0 H THR A 22 1.158 33.407 -10.944 1.00 0.00 H new ATOM 0 HA THR A 22 0.077 32.456 -8.471 1.00 0.00 H new ATOM 0 HB THR A 22 2.229 31.244 -8.269 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.705 31.430 -10.108 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.041 29.793 -10.310 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.446 30.164 -9.613 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.002 31.021 -11.071 1.00 0.00 H new ATOM 351 N ILE A 23 1.785 33.308 -6.727 1.00 0.00 N ATOM 352 CA ILE A 23 2.500 33.934 -5.641 1.00 0.00 C ATOM 353 C ILE A 23 4.027 33.936 -5.952 1.00 0.00 C ATOM 354 O ILE A 23 4.647 34.967 -5.795 1.00 0.00 O ATOM 355 CB ILE A 23 2.050 33.196 -4.403 1.00 0.00 C ATOM 356 CG1 ILE A 23 0.505 33.327 -4.136 1.00 0.00 C ATOM 357 CG2 ILE A 23 2.808 33.864 -3.224 1.00 0.00 C ATOM 358 CD1 ILE A 23 -0.029 34.848 -4.097 1.00 0.00 C ATOM 0 H ILE A 23 1.342 32.428 -6.463 1.00 0.00 H new ATOM 0 HA ILE A 23 2.286 34.992 -5.489 1.00 0.00 H new ATOM 0 HB ILE A 23 2.258 32.132 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.034 32.784 -4.912 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.269 32.846 -3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.529 33.377 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.882 33.764 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.546 34.921 -3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.103 34.852 -3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.481 35.392 -3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.173 35.329 -5.054 1.00 0.00 H new ATOM 370 N GLU A 24 4.564 32.870 -6.631 1.00 0.00 N ATOM 371 CA GLU A 24 5.951 32.837 -7.153 1.00 0.00 C ATOM 372 C GLU A 24 6.299 33.995 -8.089 1.00 0.00 C ATOM 373 O GLU A 24 7.278 34.707 -7.930 1.00 0.00 O ATOM 374 CB GLU A 24 6.059 31.488 -7.891 1.00 0.00 C ATOM 375 CG GLU A 24 7.327 31.346 -8.782 1.00 0.00 C ATOM 376 CD GLU A 24 7.394 29.920 -9.359 1.00 0.00 C ATOM 377 OE1 GLU A 24 8.219 29.156 -8.817 1.00 0.00 O ATOM 378 OE2 GLU A 24 6.736 29.654 -10.339 1.00 0.00 O ATOM 0 H GLU A 24 4.039 32.017 -6.825 1.00 0.00 H new ATOM 0 HA GLU A 24 6.660 32.943 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.054 30.683 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.175 31.356 -8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.299 32.076 -9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.222 31.554 -8.195 1.00 0.00 H new ATOM 385 N ASN A 25 5.332 34.241 -8.936 1.00 0.00 N ATOM 386 CA ASN A 25 5.347 35.405 -9.840 1.00 0.00 C ATOM 387 C ASN A 25 5.230 36.782 -9.126 1.00 0.00 C ATOM 388 O ASN A 25 5.955 37.756 -9.440 1.00 0.00 O ATOM 389 CB ASN A 25 4.278 35.175 -11.014 1.00 0.00 C ATOM 390 CG ASN A 25 4.383 36.168 -12.118 1.00 0.00 C ATOM 391 OD1 ASN A 25 5.399 36.151 -12.840 1.00 0.00 O ATOM 392 ND2 ASN A 25 3.428 37.043 -12.189 1.00 0.00 N ATOM 0 H ASN A 25 4.505 33.652 -9.032 1.00 0.00 H new ATOM 0 HA ASN A 25 6.338 35.468 -10.289 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.410 34.174 -11.423 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.274 35.217 -10.593 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.474 37.794 -12.878 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.631 36.980 -11.556 1.00 0.00 H new ATOM 399 N VAL A 26 4.333 36.915 -8.127 1.00 0.00 N ATOM 400 CA VAL A 26 4.246 38.109 -7.286 1.00 0.00 C ATOM 401 C VAL A 26 5.571 38.299 -6.514 1.00 0.00 C ATOM 402 O VAL A 26 6.047 39.407 -6.493 1.00 0.00 O ATOM 403 CB VAL A 26 2.997 37.948 -6.362 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.244 38.516 -4.914 1.00 0.00 C ATOM 405 CG2 VAL A 26 1.777 38.720 -6.943 1.00 0.00 C ATOM 0 H VAL A 26 3.653 36.194 -7.887 1.00 0.00 H new ATOM 0 HA VAL A 26 4.112 39.017 -7.875 1.00 0.00 H new ATOM 0 HB VAL A 26 2.804 36.876 -6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.346 38.380 -4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.075 37.984 -4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.482 39.578 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.919 38.594 -6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.021 39.779 -7.022 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.536 38.328 -7.931 1.00 0.00 H new ATOM 415 N LYS A 27 6.155 37.251 -5.976 1.00 0.00 N ATOM 416 CA LYS A 27 7.538 37.371 -5.340 1.00 0.00 C ATOM 417 C LYS A 27 8.615 37.847 -6.400 1.00 0.00 C ATOM 418 O LYS A 27 9.382 38.783 -6.196 1.00 0.00 O ATOM 419 CB LYS A 27 7.961 36.060 -4.612 1.00 0.00 C ATOM 420 CG LYS A 27 7.089 35.788 -3.386 1.00 0.00 C ATOM 421 CD LYS A 27 7.534 34.398 -2.923 1.00 0.00 C ATOM 422 CE LYS A 27 6.851 34.085 -1.592 1.00 0.00 C ATOM 423 NZ LYS A 27 7.501 32.884 -0.975 1.00 0.00 N ATOM 0 H LYS A 27 5.747 36.317 -5.943 1.00 0.00 H new ATOM 0 HA LYS A 27 7.481 38.141 -4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.889 35.220 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.005 36.133 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.245 36.537 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.029 35.806 -3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.270 33.648 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.618 34.366 -2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.928 34.940 -0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.789 33.898 -1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.253 32.835 0.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.169 32.024 -1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.534 32.959 -1.074 1.00 0.00 H new ATOM 437 N ALA A 28 8.609 37.275 -7.612 1.00 0.00 N ATOM 438 CA ALA A 28 9.476 37.680 -8.700 1.00 0.00 C ATOM 439 C ALA A 28 9.218 39.134 -9.202 1.00 0.00 C ATOM 440 O ALA A 28 10.095 39.709 -9.804 1.00 0.00 O ATOM 441 CB ALA A 28 9.238 36.661 -9.861 1.00 0.00 C ATOM 0 H ALA A 28 7.986 36.505 -7.857 1.00 0.00 H new ATOM 0 HA ALA A 28 10.507 37.679 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.870 36.922 -10.710 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.486 35.656 -9.520 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.192 36.693 -10.165 1.00 0.00 H new ATOM 447 N LYS A 29 8.008 39.675 -9.033 1.00 0.00 N ATOM 448 CA LYS A 29 7.704 41.096 -9.288 1.00 0.00 C ATOM 449 C LYS A 29 8.412 41.991 -8.255 1.00 0.00 C ATOM 450 O LYS A 29 8.690 43.151 -8.550 1.00 0.00 O ATOM 451 CB LYS A 29 6.150 41.361 -9.218 1.00 0.00 C ATOM 452 CG LYS A 29 5.263 40.826 -10.384 1.00 0.00 C ATOM 453 CD LYS A 29 6.083 40.680 -11.715 1.00 0.00 C ATOM 454 CE LYS A 29 5.218 40.220 -12.869 1.00 0.00 C ATOM 455 NZ LYS A 29 5.943 40.509 -14.133 1.00 0.00 N ATOM 0 H LYS A 29 7.201 39.139 -8.713 1.00 0.00 H new ATOM 0 HA LYS A 29 8.063 41.337 -10.289 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.779 40.927 -8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.998 42.438 -9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.842 39.859 -10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.425 41.504 -10.545 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.541 41.637 -11.965 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.894 39.968 -11.564 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.008 39.154 -12.786 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.258 40.736 -12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.367 40.201 -14.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.122 41.531 -14.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.849 39.998 -14.138 1.00 0.00 H new ATOM 469 N ILE A 30 8.532 41.530 -6.975 1.00 0.00 N ATOM 470 CA ILE A 30 9.181 42.277 -5.858 1.00 0.00 C ATOM 471 C ILE A 30 10.696 42.274 -5.994 1.00 0.00 C ATOM 472 O ILE A 30 11.317 43.253 -5.609 1.00 0.00 O ATOM 473 CB ILE A 30 8.630 41.641 -4.516 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.153 41.971 -4.387 1.00 0.00 C ATOM 475 CG2 ILE A 30 9.415 42.229 -3.337 1.00 0.00 C ATOM 476 CD1 ILE A 30 6.390 41.107 -3.354 1.00 0.00 C ATOM 0 H ILE A 30 8.176 40.618 -6.688 1.00 0.00 H new ATOM 0 HA ILE A 30 8.931 43.338 -5.869 1.00 0.00 H new ATOM 0 HB ILE A 30 8.752 40.558 -4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.051 43.020 -4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.680 41.851 -5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.047 41.800 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.473 41.994 -3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.284 43.311 -3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.343 41.411 -3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.456 40.057 -3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.832 41.244 -2.367 1.00 0.00 H new ATOM 488 N GLN A 31 11.204 41.252 -6.689 1.00 0.00 N ATOM 489 CA GLN A 31 12.579 41.084 -7.147 1.00 0.00 C ATOM 490 C GLN A 31 13.059 42.208 -8.047 1.00 0.00 C ATOM 491 O GLN A 31 14.148 42.769 -7.822 1.00 0.00 O ATOM 492 CB GLN A 31 12.582 39.750 -8.025 1.00 0.00 C ATOM 493 CG GLN A 31 13.932 39.052 -8.058 1.00 0.00 C ATOM 494 CD GLN A 31 13.839 37.636 -8.688 1.00 0.00 C ATOM 495 OE1 GLN A 31 12.774 36.933 -8.751 1.00 0.00 O ATOM 496 NE2 GLN A 31 14.994 37.161 -9.109 1.00 0.00 N ATOM 0 H GLN A 31 10.618 40.464 -6.965 1.00 0.00 H new ATOM 0 HA GLN A 31 13.235 41.063 -6.277 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.835 39.062 -7.629 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.282 39.994 -9.044 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.639 39.656 -8.627 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.324 38.973 -7.044 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.834 37.737 -9.051 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.048 36.218 -9.493 1.00 0.00 H new ATOM 505 N ASP A 32 12.193 42.537 -8.976 1.00 0.00 N ATOM 506 CA ASP A 32 12.512 43.651 -9.909 1.00 0.00 C ATOM 507 C ASP A 32 12.371 45.035 -9.210 1.00 0.00 C ATOM 508 O ASP A 32 12.888 46.042 -9.717 1.00 0.00 O ATOM 509 CB ASP A 32 11.660 43.688 -11.191 1.00 0.00 C ATOM 510 CG ASP A 32 11.651 42.380 -12.035 1.00 0.00 C ATOM 511 OD1 ASP A 32 12.596 41.621 -11.914 1.00 0.00 O ATOM 512 OD2 ASP A 32 10.724 42.177 -12.845 1.00 0.00 O ATOM 0 H ASP A 32 11.291 42.085 -9.124 1.00 0.00 H new ATOM 0 HA ASP A 32 13.543 43.454 -10.202 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.633 43.928 -10.916 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.019 44.502 -11.820 1.00 0.00 H new ATOM 517 N LYS A 33 11.592 45.078 -8.123 1.00 0.00 N ATOM 518 CA LYS A 33 11.326 46.391 -7.448 1.00 0.00 C ATOM 519 C LYS A 33 12.453 46.745 -6.433 1.00 0.00 C ATOM 520 O LYS A 33 13.110 47.773 -6.510 1.00 0.00 O ATOM 521 CB LYS A 33 9.944 46.583 -6.749 1.00 0.00 C ATOM 522 CG LYS A 33 8.684 46.534 -7.688 1.00 0.00 C ATOM 523 CD LYS A 33 8.582 47.840 -8.528 1.00 0.00 C ATOM 524 CE LYS A 33 7.335 47.870 -9.411 1.00 0.00 C ATOM 525 NZ LYS A 33 7.532 47.126 -10.676 1.00 0.00 N ATOM 0 H LYS A 33 11.144 44.268 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 33 11.306 47.076 -8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.835 45.812 -5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.951 47.543 -6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.750 45.672 -8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.782 46.407 -7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.570 48.700 -7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.469 47.936 -9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.494 47.441 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.075 48.904 -9.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.662 47.172 -11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.317 47.550 -11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.755 46.133 -10.463 1.00 0.00 H new ATOM 539 N GLU A 34 12.569 45.874 -5.438 1.00 0.00 N ATOM 540 CA GLU A 34 13.381 46.095 -4.269 1.00 0.00 C ATOM 541 C GLU A 34 14.537 45.080 -4.203 1.00 0.00 C ATOM 542 O GLU A 34 15.164 44.954 -3.201 1.00 0.00 O ATOM 543 CB GLU A 34 12.484 46.019 -2.973 1.00 0.00 C ATOM 544 CG GLU A 34 11.512 47.199 -2.793 1.00 0.00 C ATOM 545 CD GLU A 34 12.299 48.554 -2.862 1.00 0.00 C ATOM 546 OE1 GLU A 34 13.307 48.644 -2.133 1.00 0.00 O ATOM 547 OE2 GLU A 34 11.880 49.404 -3.671 1.00 0.00 O ATOM 0 H GLU A 34 12.086 44.976 -5.431 1.00 0.00 H new ATOM 0 HA GLU A 34 13.822 47.090 -4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.909 45.093 -2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.135 45.965 -2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.747 47.173 -3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.998 47.115 -1.835 1.00 0.00 H new ATOM 554 N GLY A 35 14.855 44.355 -5.288 1.00 0.00 N ATOM 555 CA GLY A 35 16.122 43.565 -5.312 1.00 0.00 C ATOM 556 C GLY A 35 16.095 42.350 -4.416 1.00 0.00 C ATOM 557 O GLY A 35 17.147 42.005 -3.870 1.00 0.00 O ATOM 0 H GLY A 35 14.287 44.291 -6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.322 43.247 -6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.948 44.210 -5.011 1.00 0.00 H new ATOM 561 N ILE A 36 14.919 41.715 -4.183 1.00 0.00 N ATOM 562 CA ILE A 36 14.861 40.697 -3.165 1.00 0.00 C ATOM 563 C ILE A 36 15.045 39.269 -3.807 1.00 0.00 C ATOM 564 O ILE A 36 14.217 38.894 -4.591 1.00 0.00 O ATOM 565 CB ILE A 36 13.575 40.808 -2.281 1.00 0.00 C ATOM 566 CG1 ILE A 36 13.293 42.341 -1.863 1.00 0.00 C ATOM 567 CG2 ILE A 36 13.909 39.948 -1.002 1.00 0.00 C ATOM 568 CD1 ILE A 36 12.202 42.494 -0.802 1.00 0.00 C ATOM 0 H ILE A 36 14.045 41.896 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 36 15.693 40.857 -2.479 1.00 0.00 H new ATOM 0 HB ILE A 36 12.684 40.462 -2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 36 14.217 42.783 -1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.007 42.904 -2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.060 39.967 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.114 38.919 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.785 40.363 -0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.066 43.550 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.266 42.082 -1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.495 41.959 0.101 1.00 0.00 H new ATOM 580 N PRO A 37 16.057 38.486 -3.438 1.00 0.00 N ATOM 581 CA PRO A 37 16.038 36.998 -3.740 1.00 0.00 C ATOM 582 C PRO A 37 14.690 36.316 -3.458 1.00 0.00 C ATOM 583 O PRO A 37 14.127 36.526 -2.415 1.00 0.00 O ATOM 584 CB PRO A 37 17.098 36.475 -2.706 1.00 0.00 C ATOM 585 CG PRO A 37 18.014 37.643 -2.454 1.00 0.00 C ATOM 586 CD PRO A 37 17.155 38.894 -2.620 1.00 0.00 C ATOM 0 HA PRO A 37 16.230 36.792 -4.793 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.619 36.144 -1.784 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.648 35.622 -3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.443 37.594 -1.453 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.847 37.645 -3.158 1.00 0.00 H new ATOM 0 HD2 PRO A 37 16.811 39.267 -1.655 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.719 39.700 -3.090 1.00 0.00 H new ATOM 594 N PRO A 38 14.157 35.537 -4.387 1.00 0.00 N ATOM 595 CA PRO A 38 12.674 35.219 -4.320 1.00 0.00 C ATOM 596 C PRO A 38 12.311 34.327 -3.131 1.00 0.00 C ATOM 597 O PRO A 38 11.230 34.444 -2.522 1.00 0.00 O ATOM 598 CB PRO A 38 12.373 34.697 -5.740 1.00 0.00 C ATOM 599 CG PRO A 38 13.644 34.296 -6.360 1.00 0.00 C ATOM 600 CD PRO A 38 14.768 35.200 -5.714 1.00 0.00 C ATOM 0 HA PRO A 38 12.026 36.066 -4.097 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.687 33.851 -5.697 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.887 35.471 -6.335 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.846 33.240 -6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.609 34.435 -7.441 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.712 34.666 -5.607 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.971 36.090 -6.310 1.00 0.00 H new ATOM 608 N ASP A 39 13.236 33.455 -2.829 1.00 0.00 N ATOM 609 CA ASP A 39 13.073 32.524 -1.749 1.00 0.00 C ATOM 610 C ASP A 39 13.472 33.145 -0.373 1.00 0.00 C ATOM 611 O ASP A 39 13.181 32.545 0.633 1.00 0.00 O ATOM 612 CB ASP A 39 13.953 31.335 -2.111 1.00 0.00 C ATOM 613 CG ASP A 39 13.422 30.457 -3.246 1.00 0.00 C ATOM 614 OD1 ASP A 39 12.215 30.482 -3.506 1.00 0.00 O ATOM 615 OD2 ASP A 39 14.298 29.756 -3.776 1.00 0.00 O ATOM 0 H ASP A 39 14.123 33.372 -3.326 1.00 0.00 H new ATOM 0 HA ASP A 39 12.030 32.231 -1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.940 31.705 -2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.083 30.716 -1.224 1.00 0.00 H new ATOM 620 N GLN A 40 14.116 34.350 -0.259 1.00 0.00 N ATOM 621 CA GLN A 40 14.201 35.110 1.015 1.00 0.00 C ATOM 622 C GLN A 40 12.835 35.725 1.400 1.00 0.00 C ATOM 623 O GLN A 40 12.536 35.986 2.547 1.00 0.00 O ATOM 624 CB GLN A 40 15.314 36.196 0.939 1.00 0.00 C ATOM 625 CG GLN A 40 15.434 37.132 2.270 1.00 0.00 C ATOM 626 CD GLN A 40 16.682 37.941 2.239 1.00 0.00 C ATOM 627 OE1 GLN A 40 16.695 39.160 2.589 1.00 0.00 O ATOM 628 NE2 GLN A 40 17.774 37.237 2.102 1.00 0.00 N ATOM 0 H GLN A 40 14.582 34.809 -1.041 1.00 0.00 H new ATOM 0 HA GLN A 40 14.472 34.409 1.804 1.00 0.00 H new ATOM 0 HB2 GLN A 40 16.272 35.706 0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.123 36.835 0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.569 37.792 2.334 1.00 0.00 H new ATOM 0 HG3 GLN A 40 15.424 36.506 3.162 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.718 36.259 1.818 1.00 0.00 H new ATOM 0 HE22 GLN A 40 18.683 37.666 2.279 1.00 0.00 H new ATOM 637 N GLN A 41 11.887 35.768 0.478 1.00 0.00 N ATOM 638 CA GLN A 41 10.552 36.380 0.721 1.00 0.00 C ATOM 639 C GLN A 41 9.517 35.446 1.428 1.00 0.00 C ATOM 640 O GLN A 41 9.151 34.408 0.904 1.00 0.00 O ATOM 641 CB GLN A 41 10.001 36.851 -0.670 1.00 0.00 C ATOM 642 CG GLN A 41 10.871 37.926 -1.374 1.00 0.00 C ATOM 643 CD GLN A 41 10.335 38.413 -2.711 1.00 0.00 C ATOM 644 OE1 GLN A 41 9.116 38.700 -2.850 1.00 0.00 O ATOM 645 NE2 GLN A 41 11.196 38.534 -3.724 1.00 0.00 N ATOM 0 H GLN A 41 12.001 35.387 -0.461 1.00 0.00 H new ATOM 0 HA GLN A 41 10.688 37.207 1.418 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.915 35.984 -1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.995 37.248 -0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.974 38.782 -0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.871 37.519 -1.527 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.179 38.296 -3.589 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.871 38.864 -4.633 1.00 0.00 H new ATOM 654 N ARG A 42 8.944 35.929 2.578 1.00 0.00 N ATOM 655 CA ARG A 42 7.770 35.414 3.185 1.00 0.00 C ATOM 656 C ARG A 42 6.605 36.348 2.975 1.00 0.00 C ATOM 657 O ARG A 42 6.617 37.485 3.449 1.00 0.00 O ATOM 658 CB ARG A 42 7.948 35.465 4.724 1.00 0.00 C ATOM 659 CG ARG A 42 8.974 34.495 5.289 1.00 0.00 C ATOM 660 CD ARG A 42 8.818 34.518 6.828 1.00 0.00 C ATOM 661 NE ARG A 42 9.697 33.439 7.374 1.00 0.00 N ATOM 662 CZ ARG A 42 10.181 33.421 8.596 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.614 34.096 9.604 1.00 0.00 N ATOM 664 NH2 ARG A 42 10.995 32.440 8.958 1.00 0.00 N ATOM 0 H ARG A 42 9.338 36.718 3.090 1.00 0.00 H new ATOM 0 HA ARG A 42 7.604 34.421 2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.234 36.478 5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.985 35.263 5.192 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.810 33.490 4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.983 34.789 4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.105 35.490 7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.779 34.350 7.113 1.00 0.00 H new ATOM 0 HE ARG A 42 9.938 32.664 6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.774 34.651 9.438 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.022 34.055 10.538 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.240 31.708 8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.376 32.416 9.904 1.00 0.00 H new ATOM 678 N LEU A 43 5.638 35.899 2.180 1.00 0.00 N ATOM 679 CA LEU A 43 4.454 36.709 1.945 1.00 0.00 C ATOM 680 C LEU A 43 3.363 36.229 2.815 1.00 0.00 C ATOM 681 O LEU A 43 2.881 35.130 2.624 1.00 0.00 O ATOM 682 CB LEU A 43 3.955 36.586 0.464 1.00 0.00 C ATOM 683 CG LEU A 43 4.615 37.665 -0.400 1.00 0.00 C ATOM 684 CD1 LEU A 43 3.923 37.745 -1.800 1.00 0.00 C ATOM 685 CD2 LEU A 43 4.392 39.128 0.159 1.00 0.00 C ATOM 0 H LEU A 43 5.651 35.000 1.699 1.00 0.00 H new ATOM 0 HA LEU A 43 4.716 37.746 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.194 35.597 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.871 36.691 0.427 1.00 0.00 H new ATOM 0 HG LEU A 43 5.668 37.383 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.405 38.517 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.012 36.783 -2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.869 37.991 -1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.883 39.847 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.324 39.344 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.814 39.203 1.161 1.00 0.00 H new ATOM 697 N ILE A 44 2.996 37.061 3.808 1.00 0.00 N ATOM 698 CA ILE A 44 2.103 36.625 4.824 1.00 0.00 C ATOM 699 C ILE A 44 0.809 37.453 4.643 1.00 0.00 C ATOM 700 O ILE A 44 0.782 38.651 4.329 1.00 0.00 O ATOM 701 CB ILE A 44 2.700 36.864 6.230 1.00 0.00 C ATOM 702 CG1 ILE A 44 4.078 36.192 6.508 1.00 0.00 C ATOM 703 CG2 ILE A 44 1.678 36.321 7.285 1.00 0.00 C ATOM 704 CD1 ILE A 44 4.716 36.807 7.784 1.00 0.00 C ATOM 0 H ILE A 44 3.317 38.025 3.902 1.00 0.00 H new ATOM 0 HA ILE A 44 1.912 35.555 4.741 1.00 0.00 H new ATOM 0 HB ILE A 44 2.878 37.937 6.296 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.949 35.117 6.637 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.741 36.334 5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.074 36.477 8.289 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.732 36.852 7.182 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.516 35.256 7.120 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.679 36.333 7.974 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.860 37.878 7.639 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.057 36.642 8.636 1.00 0.00 H new ATOM 716 N PHE A 45 -0.344 36.771 4.710 1.00 0.00 N ATOM 717 CA PHE A 45 -1.625 37.473 4.765 1.00 0.00 C ATOM 718 C PHE A 45 -2.439 36.832 5.848 1.00 0.00 C ATOM 719 O PHE A 45 -2.633 35.619 5.789 1.00 0.00 O ATOM 720 CB PHE A 45 -2.410 37.311 3.434 1.00 0.00 C ATOM 721 CG PHE A 45 -3.589 38.191 3.144 1.00 0.00 C ATOM 722 CD1 PHE A 45 -4.818 37.774 2.509 1.00 0.00 C ATOM 723 CD2 PHE A 45 -3.495 39.555 3.535 1.00 0.00 C ATOM 724 CE1 PHE A 45 -5.798 38.724 2.179 1.00 0.00 C ATOM 725 CE2 PHE A 45 -4.516 40.470 3.182 1.00 0.00 C ATOM 726 CZ PHE A 45 -5.687 40.038 2.646 1.00 0.00 C ATOM 0 H PHE A 45 -0.412 35.753 4.727 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.445 38.533 4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.698 37.445 2.620 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.757 36.279 3.387 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.983 36.730 2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.642 39.894 4.103 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.639 38.440 1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.362 41.527 3.341 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.531 40.708 2.580 1.00 0.00 H new ATOM 736 N ALA A 46 -2.912 37.663 6.794 1.00 0.00 N ATOM 737 CA ALA A 46 -3.948 37.227 7.732 1.00 0.00 C ATOM 738 C ALA A 46 -3.643 35.872 8.393 1.00 0.00 C ATOM 739 O ALA A 46 -4.363 34.914 8.221 1.00 0.00 O ATOM 740 CB ALA A 46 -5.318 37.221 7.030 1.00 0.00 C ATOM 0 H ALA A 46 -2.596 38.624 6.924 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.968 37.947 8.550 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.085 36.896 7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.551 38.226 6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.289 36.537 6.182 1.00 0.00 H new ATOM 746 N GLY A 47 -2.526 35.881 9.128 1.00 0.00 N ATOM 747 CA GLY A 47 -2.178 34.803 10.125 1.00 0.00 C ATOM 748 C GLY A 47 -1.505 33.568 9.524 1.00 0.00 C ATOM 749 O GLY A 47 -1.189 32.584 10.199 1.00 0.00 O ATOM 0 H GLY A 47 -1.826 36.621 9.067 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.518 35.227 10.882 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.089 34.491 10.635 1.00 0.00 H new ATOM 753 N LYS A 48 -1.212 33.634 8.231 1.00 0.00 N ATOM 754 CA LYS A 48 -0.393 32.585 7.573 1.00 0.00 C ATOM 755 C LYS A 48 0.370 33.042 6.318 1.00 0.00 C ATOM 756 O LYS A 48 0.144 34.144 5.806 1.00 0.00 O ATOM 757 CB LYS A 48 -1.285 31.353 7.220 1.00 0.00 C ATOM 758 CG LYS A 48 -2.437 31.688 6.184 1.00 0.00 C ATOM 759 CD LYS A 48 -2.759 30.372 5.397 1.00 0.00 C ATOM 760 CE LYS A 48 -3.755 30.598 4.270 1.00 0.00 C ATOM 761 NZ LYS A 48 -5.037 30.997 4.881 1.00 0.00 N ATOM 0 H LYS A 48 -1.517 34.385 7.612 1.00 0.00 H new ATOM 0 HA LYS A 48 0.372 32.323 8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.656 30.563 6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.731 30.962 8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.324 32.052 6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.121 32.476 5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.836 29.963 4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.158 29.628 6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.397 31.372 3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.878 29.690 3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.786 30.979 4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.277 30.336 5.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.953 31.959 5.268 1.00 0.00 H new ATOM 775 N GLN A 49 1.375 32.221 5.902 1.00 0.00 N ATOM 776 CA GLN A 49 1.980 32.444 4.558 1.00 0.00 C ATOM 777 C GLN A 49 1.087 32.064 3.355 1.00 0.00 C ATOM 778 O GLN A 49 0.283 31.130 3.397 1.00 0.00 O ATOM 779 CB GLN A 49 3.328 31.717 4.321 1.00 0.00 C ATOM 780 CG GLN A 49 4.449 32.376 5.180 1.00 0.00 C ATOM 781 CD GLN A 49 5.837 31.806 4.970 1.00 0.00 C ATOM 782 OE1 GLN A 49 6.478 32.160 3.968 1.00 0.00 O ATOM 783 NE2 GLN A 49 6.310 30.921 5.828 1.00 0.00 N ATOM 0 H GLN A 49 1.764 31.446 6.439 1.00 0.00 H new ATOM 0 HA GLN A 49 2.122 33.524 4.595 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.232 30.663 4.581 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.594 31.762 3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.474 33.443 4.960 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.186 32.274 6.233 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.756 30.653 6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.229 30.506 5.677 1.00 0.00 H new ATOM 792 N LEU A 50 1.301 32.799 2.216 1.00 0.00 N ATOM 793 CA LEU A 50 0.849 32.255 0.914 1.00 0.00 C ATOM 794 C LEU A 50 1.908 31.304 0.294 1.00 0.00 C ATOM 795 O LEU A 50 3.027 31.713 0.039 1.00 0.00 O ATOM 796 CB LEU A 50 0.541 33.463 -0.103 1.00 0.00 C ATOM 797 CG LEU A 50 -0.408 34.496 0.518 1.00 0.00 C ATOM 798 CD1 LEU A 50 -0.568 35.751 -0.417 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.797 33.956 0.974 1.00 0.00 C ATOM 0 H LEU A 50 1.755 33.712 2.180 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.059 31.678 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.475 33.949 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.100 33.066 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 50 0.084 34.788 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.246 36.467 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.405 36.218 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.974 35.439 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.383 34.772 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.324 33.537 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.657 33.181 1.728 1.00 0.00 H new ATOM 811 N GLU A 51 1.485 30.054 -0.052 1.00 0.00 N ATOM 812 CA GLU A 51 2.248 29.117 -0.900 1.00 0.00 C ATOM 813 C GLU A 51 2.505 29.639 -2.354 1.00 0.00 C ATOM 814 O GLU A 51 1.639 30.143 -3.055 1.00 0.00 O ATOM 815 CB GLU A 51 1.429 27.818 -1.083 1.00 0.00 C ATOM 816 CG GLU A 51 1.463 26.794 0.129 1.00 0.00 C ATOM 817 CD GLU A 51 0.698 25.471 -0.154 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.236 24.575 -0.823 1.00 0.00 O ATOM 819 OE2 GLU A 51 -0.378 25.293 0.439 1.00 0.00 O ATOM 0 H GLU A 51 0.591 29.673 0.259 1.00 0.00 H new ATOM 0 HA GLU A 51 3.201 28.979 -0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.391 28.091 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.792 27.306 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.501 26.560 0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.033 27.271 1.010 1.00 0.00 H new ATOM 826 N ASP A 52 3.720 29.340 -2.801 1.00 0.00 N ATOM 827 CA ASP A 52 4.279 29.962 -4.016 1.00 0.00 C ATOM 828 C ASP A 52 3.611 29.572 -5.375 1.00 0.00 C ATOM 829 O ASP A 52 3.430 30.387 -6.272 1.00 0.00 O ATOM 830 CB ASP A 52 5.767 29.545 -4.100 1.00 0.00 C ATOM 831 CG ASP A 52 6.640 30.013 -2.936 1.00 0.00 C ATOM 832 OD1 ASP A 52 7.758 29.512 -2.805 1.00 0.00 O ATOM 833 OD2 ASP A 52 6.205 30.889 -2.214 1.00 0.00 O ATOM 0 H ASP A 52 4.343 28.672 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 52 4.102 31.032 -3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.820 28.458 -4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.186 29.936 -5.027 1.00 0.00 H new ATOM 838 N GLY A 53 3.210 28.319 -5.468 1.00 0.00 N ATOM 839 CA GLY A 53 2.660 27.611 -6.685 1.00 0.00 C ATOM 840 C GLY A 53 1.165 27.907 -6.884 1.00 0.00 C ATOM 841 O GLY A 53 0.564 27.326 -7.762 1.00 0.00 O ATOM 0 H GLY A 53 3.248 27.698 -4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.214 27.923 -7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.808 26.536 -6.579 1.00 0.00 H new ATOM 845 N ARG A 54 0.533 28.812 -6.079 1.00 0.00 N ATOM 846 CA ARG A 54 -0.892 28.987 -6.047 1.00 0.00 C ATOM 847 C ARG A 54 -1.163 30.350 -6.659 1.00 0.00 C ATOM 848 O ARG A 54 -0.302 31.255 -6.598 1.00 0.00 O ATOM 849 CB ARG A 54 -1.429 28.955 -4.575 1.00 0.00 C ATOM 850 CG ARG A 54 -1.004 27.696 -3.750 1.00 0.00 C ATOM 851 CD ARG A 54 -1.815 26.445 -4.290 1.00 0.00 C ATOM 852 NE ARG A 54 -1.167 25.255 -3.688 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.739 24.189 -3.156 1.00 0.00 C ATOM 854 NH1 ARG A 54 -2.935 23.807 -3.396 1.00 0.00 N ATOM 855 NH2 ARG A 54 -1.064 23.656 -2.120 1.00 0.00 N ATOM 0 H ARG A 54 1.033 29.431 -5.440 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.392 28.186 -6.592 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.079 29.847 -4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.518 29.006 -4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.068 27.523 -3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.207 27.851 -2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.865 26.506 -4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.784 26.399 -5.379 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.147 25.260 -3.684 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.521 24.339 -4.040 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.304 22.970 -2.944 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.188 24.078 -1.810 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.428 22.830 -1.645 1.00 0.00 H new ATOM 869 N THR A 55 -2.386 30.506 -7.205 1.00 0.00 N ATOM 870 CA THR A 55 -2.758 31.753 -7.789 1.00 0.00 C ATOM 871 C THR A 55 -3.410 32.688 -6.788 1.00 0.00 C ATOM 872 O THR A 55 -3.803 32.290 -5.720 1.00 0.00 O ATOM 873 CB THR A 55 -3.710 31.620 -8.997 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.979 31.023 -8.661 1.00 0.00 O ATOM 875 CG2 THR A 55 -3.020 30.763 -10.109 1.00 0.00 C ATOM 0 H THR A 55 -3.103 29.781 -7.240 1.00 0.00 H new ATOM 0 HA THR A 55 -1.811 32.168 -8.135 1.00 0.00 H new ATOM 0 HB THR A 55 -3.915 32.631 -9.349 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.537 30.967 -9.465 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.690 30.668 -10.963 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.098 31.251 -10.424 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.791 29.773 -9.715 1.00 0.00 H new ATOM 883 N LEU A 56 -3.449 34.002 -7.040 1.00 0.00 N ATOM 884 CA LEU A 56 -4.391 34.909 -6.298 1.00 0.00 C ATOM 885 C LEU A 56 -5.839 34.384 -6.336 1.00 0.00 C ATOM 886 O LEU A 56 -6.534 34.509 -5.328 1.00 0.00 O ATOM 887 CB LEU A 56 -4.368 36.340 -6.983 1.00 0.00 C ATOM 888 CG LEU A 56 -3.086 37.161 -6.745 1.00 0.00 C ATOM 889 CD1 LEU A 56 -3.185 38.505 -7.515 1.00 0.00 C ATOM 890 CD2 LEU A 56 -2.773 37.456 -5.213 1.00 0.00 C ATOM 0 H LEU A 56 -2.863 34.471 -7.731 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.064 34.955 -5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.505 36.213 -8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.220 36.913 -6.618 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.262 36.550 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.279 39.088 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.297 38.306 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.048 39.066 -7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.855 38.038 -5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.598 38.018 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.652 36.514 -4.678 1.00 0.00 H new ATOM 902 N SER A 57 -6.297 33.792 -7.423 1.00 0.00 N ATOM 903 CA SER A 57 -7.700 33.396 -7.495 1.00 0.00 C ATOM 904 C SER A 57 -7.977 32.269 -6.545 1.00 0.00 C ATOM 905 O SER A 57 -9.094 32.222 -6.023 1.00 0.00 O ATOM 906 CB SER A 57 -7.965 33.128 -8.998 1.00 0.00 C ATOM 907 OG SER A 57 -8.970 32.130 -9.205 1.00 0.00 O ATOM 0 H SER A 57 -5.740 33.577 -8.250 1.00 0.00 H new ATOM 0 HA SER A 57 -8.405 34.157 -7.160 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.273 34.055 -9.481 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.038 32.812 -9.477 1.00 0.00 H new ATOM 0 HG SER A 57 -9.104 31.996 -10.166 1.00 0.00 H new ATOM 913 N ASP A 58 -6.967 31.341 -6.319 1.00 0.00 N ATOM 914 CA ASP A 58 -7.006 30.180 -5.422 1.00 0.00 C ATOM 915 C ASP A 58 -7.244 30.548 -3.962 1.00 0.00 C ATOM 916 O ASP A 58 -8.064 29.906 -3.293 1.00 0.00 O ATOM 917 CB ASP A 58 -5.600 29.498 -5.506 1.00 0.00 C ATOM 918 CG ASP A 58 -5.396 28.709 -6.824 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.405 28.172 -7.225 1.00 0.00 O ATOM 920 OD2 ASP A 58 -4.260 28.573 -7.327 1.00 0.00 O ATOM 0 H ASP A 58 -6.070 31.415 -6.798 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.831 29.540 -5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.825 30.260 -5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.478 28.822 -4.660 1.00 0.00 H new ATOM 925 N TYR A 59 -6.522 31.555 -3.505 1.00 0.00 N ATOM 926 CA TYR A 59 -6.548 32.051 -2.091 1.00 0.00 C ATOM 927 C TYR A 59 -7.687 33.067 -1.955 1.00 0.00 C ATOM 928 O TYR A 59 -8.015 33.499 -0.822 1.00 0.00 O ATOM 929 CB TYR A 59 -5.144 32.609 -1.748 1.00 0.00 C ATOM 930 CG TYR A 59 -4.164 31.569 -1.257 1.00 0.00 C ATOM 931 CD1 TYR A 59 -2.864 31.530 -1.769 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.433 30.713 -0.214 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.914 30.703 -1.223 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.447 29.856 0.314 1.00 0.00 C ATOM 935 CZ TYR A 59 -2.167 29.858 -0.197 1.00 0.00 C ATOM 936 OH TYR A 59 -1.182 29.105 0.413 1.00 0.00 O ATOM 0 H TYR A 59 -5.879 32.079 -4.098 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.754 31.261 -1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.731 33.091 -2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.249 33.381 -0.986 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.603 32.160 -2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.426 30.698 0.211 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.915 30.728 -1.633 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.697 29.191 1.127 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.579 28.566 1.129 1.00 0.00 H new ATOM 946 N ASN A 60 -8.363 33.456 -3.093 1.00 0.00 N ATOM 947 CA ASN A 60 -9.556 34.323 -3.075 1.00 0.00 C ATOM 948 C ASN A 60 -9.278 35.798 -2.868 1.00 0.00 C ATOM 949 O ASN A 60 -10.064 36.514 -2.219 1.00 0.00 O ATOM 950 CB ASN A 60 -10.707 33.908 -2.081 1.00 0.00 C ATOM 951 CG ASN A 60 -11.030 32.470 -2.359 1.00 0.00 C ATOM 952 OD1 ASN A 60 -11.729 31.891 -1.486 1.00 0.00 O ATOM 953 ND2 ASN A 60 -10.891 31.838 -3.583 1.00 0.00 N ATOM 0 H ASN A 60 -8.083 33.169 -4.031 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.910 34.158 -4.093 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.389 34.039 -1.047 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.586 34.536 -2.226 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.346 30.940 -3.748 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.334 32.270 -4.320 1.00 0.00 H new ATOM 960 N ILE A 61 -8.100 36.223 -3.330 1.00 0.00 N ATOM 961 CA ILE A 61 -7.521 37.483 -2.960 1.00 0.00 C ATOM 962 C ILE A 61 -7.885 38.523 -4.033 1.00 0.00 C ATOM 963 O ILE A 61 -7.519 38.257 -5.174 1.00 0.00 O ATOM 964 CB ILE A 61 -5.994 37.350 -3.006 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.477 36.368 -1.871 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.412 38.732 -2.713 1.00 0.00 C ATOM 967 CD1 ILE A 61 -3.938 35.896 -1.978 1.00 0.00 C ATOM 0 H ILE A 61 -7.527 35.683 -3.979 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.878 37.772 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.693 36.963 -3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.619 36.856 -0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.108 35.479 -1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.323 38.681 -2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.758 39.440 -3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.739 39.063 -1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.703 35.229 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.783 35.371 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.286 36.769 -1.938 1.00 0.00 H new ATOM 979 N GLN A 62 -8.520 39.644 -3.630 1.00 0.00 N ATOM 980 CA GLN A 62 -9.019 40.614 -4.643 1.00 0.00 C ATOM 981 C GLN A 62 -8.019 41.696 -4.903 1.00 0.00 C ATOM 982 O GLN A 62 -7.177 41.980 -4.106 1.00 0.00 O ATOM 983 CB GLN A 62 -10.276 41.400 -4.157 1.00 0.00 C ATOM 984 CG GLN A 62 -11.380 40.480 -3.625 1.00 0.00 C ATOM 985 CD GLN A 62 -11.717 39.362 -4.594 1.00 0.00 C ATOM 986 OE1 GLN A 62 -12.138 39.602 -5.759 1.00 0.00 O ATOM 987 NE2 GLN A 62 -11.500 38.117 -4.223 1.00 0.00 N ATOM 0 H GLN A 62 -8.697 39.898 -2.658 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.231 39.999 -5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.982 42.099 -3.374 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.670 41.994 -4.982 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.065 40.050 -2.674 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.276 41.068 -3.427 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.160 37.917 -3.282 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.672 37.353 -4.876 1.00 0.00 H new ATOM 996 N LYS A 63 -8.174 42.411 -6.027 1.00 0.00 N ATOM 997 CA LYS A 63 -7.434 43.657 -6.187 1.00 0.00 C ATOM 998 C LYS A 63 -7.336 44.582 -4.950 1.00 0.00 C ATOM 999 O LYS A 63 -8.183 44.586 -4.074 1.00 0.00 O ATOM 1000 CB LYS A 63 -7.870 44.468 -7.436 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.328 45.010 -7.525 1.00 0.00 C ATOM 1002 CD LYS A 63 -9.582 46.183 -6.563 1.00 0.00 C ATOM 1003 CE LYS A 63 -10.940 46.815 -6.986 1.00 0.00 C ATOM 1004 NZ LYS A 63 -11.226 48.115 -6.291 1.00 0.00 N ATOM 0 H LYS A 63 -8.781 42.157 -6.806 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.420 43.285 -6.333 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.198 45.322 -7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.701 43.839 -8.310 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.530 45.332 -8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.026 44.203 -7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.620 45.836 -5.530 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.777 46.916 -6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.938 46.979 -8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.744 46.111 -6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.899 48.671 -6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.636 47.925 -5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.342 48.651 -6.180 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.258 45.397 -4.836 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.138 46.420 -3.753 1.00 0.00 C ATOM 1020 C GLU A 64 -5.848 45.830 -2.337 1.00 0.00 C ATOM 1021 O GLU A 64 -5.630 46.594 -1.446 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.225 47.560 -3.801 1.00 0.00 C ATOM 1023 CG GLU A 64 -6.900 48.496 -5.021 1.00 0.00 C ATOM 1024 CD GLU A 64 -7.856 49.691 -5.161 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -7.469 50.702 -4.605 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -8.826 49.592 -5.951 1.00 0.00 O ATOM 0 H GLU A 64 -5.462 45.371 -5.473 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.218 46.954 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.222 47.131 -3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.219 48.130 -2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.881 48.869 -4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.934 47.907 -5.937 1.00 0.00 H new ATOM 1033 N SER A 65 -5.907 44.533 -2.076 1.00 0.00 N ATOM 1034 CA SER A 65 -5.461 43.989 -0.759 1.00 0.00 C ATOM 1035 C SER A 65 -4.044 44.385 -0.279 1.00 0.00 C ATOM 1036 O SER A 65 -3.160 44.575 -1.124 1.00 0.00 O ATOM 1037 CB SER A 65 -5.595 42.433 -0.835 1.00 0.00 C ATOM 1038 OG SER A 65 -6.855 42.025 -1.368 1.00 0.00 O ATOM 0 H SER A 65 -6.250 43.831 -2.732 1.00 0.00 H new ATOM 0 HA SER A 65 -6.105 44.444 -0.006 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.793 42.031 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.470 42.010 0.162 1.00 0.00 H new ATOM 0 HG SER A 65 -6.803 41.998 -2.346 1.00 0.00 H new ATOM 1044 N THR A 66 -3.798 44.539 1.063 1.00 0.00 N ATOM 1045 CA THR A 66 -2.426 44.808 1.518 1.00 0.00 C ATOM 1046 C THR A 66 -1.881 43.463 2.006 1.00 0.00 C ATOM 1047 O THR A 66 -2.363 42.879 2.978 1.00 0.00 O ATOM 1048 CB THR A 66 -2.327 45.833 2.675 1.00 0.00 C ATOM 1049 OG1 THR A 66 -2.719 47.127 2.243 1.00 0.00 O ATOM 1050 CG2 THR A 66 -0.865 45.961 3.254 1.00 0.00 C ATOM 0 H THR A 66 -4.502 44.482 1.799 1.00 0.00 H new ATOM 0 HA THR A 66 -1.865 45.245 0.692 1.00 0.00 H new ATOM 0 HB THR A 66 -2.993 45.457 3.452 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.650 47.756 2.991 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.856 46.693 4.062 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.539 44.994 3.637 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.188 46.285 2.464 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.879 42.936 1.328 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.216 41.710 1.787 1.00 0.00 C ATOM 1060 C LEU A 67 0.920 42.143 2.650 1.00 0.00 C ATOM 1061 O LEU A 67 1.293 43.324 2.545 1.00 0.00 O ATOM 1062 CB LEU A 67 0.333 40.921 0.547 1.00 0.00 C ATOM 1063 CG LEU A 67 -0.767 40.295 -0.382 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -1.575 41.255 -1.287 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -0.172 39.163 -1.234 1.00 0.00 C ATOM 0 H LEU A 67 -0.502 43.326 0.464 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.902 41.062 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.950 41.594 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.984 40.122 0.903 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.504 39.927 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.296 40.684 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.103 41.981 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.896 41.778 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.949 38.741 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.632 39.559 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.224 38.385 -0.581 1.00 0.00 H new ATOM 1077 N HIS A 68 1.476 41.281 3.569 1.00 0.00 N ATOM 1078 CA HIS A 68 2.607 41.732 4.314 1.00 0.00 C ATOM 1079 C HIS A 68 3.824 40.843 3.997 1.00 0.00 C ATOM 1080 O HIS A 68 3.652 39.643 3.835 1.00 0.00 O ATOM 1081 CB HIS A 68 2.466 41.737 5.819 1.00 0.00 C ATOM 1082 CG HIS A 68 1.588 42.873 6.341 1.00 0.00 C ATOM 1083 ND1 HIS A 68 0.209 42.885 6.181 1.00 0.00 N ATOM 1084 CD2 HIS A 68 1.838 43.919 7.200 1.00 0.00 C ATOM 1085 CE1 HIS A 68 -0.297 43.942 6.884 1.00 0.00 C ATOM 1086 NE2 HIS A 68 0.665 44.578 7.500 1.00 0.00 N ATOM 0 H HIS A 68 1.152 40.335 3.772 1.00 0.00 H new ATOM 0 HA HIS A 68 2.718 42.770 4.001 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.045 40.785 6.140 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.456 41.816 6.269 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.812 44.185 7.583 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.342 44.213 6.925 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.566 45.404 8.090 1.00 0.00 H new ATOM 1094 N LEU A 69 4.983 41.542 3.935 1.00 0.00 N ATOM 1095 CA LEU A 69 6.336 40.986 3.523 1.00 0.00 C ATOM 1096 C LEU A 69 7.341 41.020 4.635 1.00 0.00 C ATOM 1097 O LEU A 69 7.736 42.063 5.126 1.00 0.00 O ATOM 1098 CB LEU A 69 6.938 41.814 2.353 1.00 0.00 C ATOM 1099 CG LEU A 69 8.282 41.270 1.654 1.00 0.00 C ATOM 1100 CD1 LEU A 69 8.220 39.780 1.142 1.00 0.00 C ATOM 1101 CD2 LEU A 69 8.520 42.034 0.305 1.00 0.00 C ATOM 0 H LEU A 69 5.026 42.533 4.172 1.00 0.00 H new ATOM 0 HA LEU A 69 6.148 39.953 3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.174 41.905 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.138 42.819 2.724 1.00 0.00 H new ATOM 0 HG LEU A 69 9.033 41.395 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.174 39.511 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.017 39.115 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.426 39.682 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.430 41.664 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.673 41.869 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.622 43.101 0.504 1.00 0.00 H new ATOM 1113 N VAL A 70 7.840 39.837 4.942 1.00 0.00 N ATOM 1114 CA VAL A 70 8.990 39.654 5.825 1.00 0.00 C ATOM 1115 C VAL A 70 10.023 38.882 4.968 1.00 0.00 C ATOM 1116 O VAL A 70 9.668 38.103 4.090 1.00 0.00 O ATOM 1117 CB VAL A 70 8.740 38.763 7.033 1.00 0.00 C ATOM 1118 CG1 VAL A 70 9.962 38.696 8.021 1.00 0.00 C ATOM 1119 CG2 VAL A 70 7.615 39.423 7.842 1.00 0.00 C ATOM 0 H VAL A 70 7.457 38.962 4.584 1.00 0.00 H new ATOM 0 HA VAL A 70 9.281 40.636 6.198 1.00 0.00 H new ATOM 0 HB VAL A 70 8.526 37.761 6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.717 38.044 8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.832 38.301 7.497 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.185 39.696 8.392 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.398 38.819 8.723 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.927 40.420 8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.720 39.500 7.225 1.00 0.00 H new ATOM 1129 N LEU A 71 11.296 39.072 5.314 1.00 0.00 N ATOM 1130 CA LEU A 71 12.467 38.446 4.722 1.00 0.00 C ATOM 1131 C LEU A 71 13.163 37.551 5.757 1.00 0.00 C ATOM 1132 O LEU A 71 13.218 37.806 6.950 1.00 0.00 O ATOM 1133 CB LEU A 71 13.446 39.620 4.314 1.00 0.00 C ATOM 1134 CG LEU A 71 12.716 40.701 3.425 1.00 0.00 C ATOM 1135 CD1 LEU A 71 13.831 41.686 2.990 1.00 0.00 C ATOM 1136 CD2 LEU A 71 11.909 40.151 2.254 1.00 0.00 C ATOM 0 H LEU A 71 11.548 39.712 6.067 1.00 0.00 H new ATOM 0 HA LEU A 71 12.189 37.832 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.842 40.094 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 71 14.296 39.212 3.768 1.00 0.00 H new ATOM 0 HG LEU A 71 11.935 41.192 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.401 42.470 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.286 42.134 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.591 41.148 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.449 40.976 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.569 39.598 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.131 39.485 2.629 1.00 0.00 H new ATOM 1148 N ARG A 72 13.720 36.438 5.316 1.00 0.00 N ATOM 1149 CA ARG A 72 14.247 35.341 6.204 1.00 0.00 C ATOM 1150 C ARG A 72 15.705 35.485 6.683 1.00 0.00 C ATOM 1151 O ARG A 72 16.614 35.815 5.922 1.00 0.00 O ATOM 1152 CB ARG A 72 14.277 34.073 5.318 1.00 0.00 C ATOM 1153 CG ARG A 72 12.875 33.532 5.186 1.00 0.00 C ATOM 1154 CD ARG A 72 12.888 32.319 4.262 1.00 0.00 C ATOM 1155 NE ARG A 72 11.530 31.741 4.267 1.00 0.00 N ATOM 1156 CZ ARG A 72 10.635 31.910 3.292 1.00 0.00 C ATOM 1157 NH1 ARG A 72 10.820 32.618 2.222 1.00 0.00 N ATOM 1158 NH2 ARG A 72 9.499 31.254 3.405 1.00 0.00 N ATOM 0 H ARG A 72 13.835 36.239 4.322 1.00 0.00 H new ATOM 0 HA ARG A 72 13.608 35.339 7.087 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.683 34.310 4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.931 33.321 5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.487 33.253 6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.212 34.300 4.787 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.177 32.610 3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.618 31.585 4.603 1.00 0.00 H new ATOM 0 HE ARG A 72 11.257 31.174 5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.707 33.100 2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.079 32.693 1.526 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.336 30.651 4.211 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.782 31.349 2.686 1.00 0.00 H new ATOM 1172 N LEU A 73 15.996 35.205 7.961 1.00 0.00 N ATOM 1173 CA LEU A 73 17.379 35.025 8.468 1.00 0.00 C ATOM 1174 C LEU A 73 17.493 33.635 9.130 1.00 0.00 C ATOM 1175 O LEU A 73 18.560 33.327 9.664 1.00 0.00 O ATOM 1176 CB LEU A 73 17.768 36.151 9.520 1.00 0.00 C ATOM 1177 CG LEU A 73 17.759 37.637 9.011 1.00 0.00 C ATOM 1178 CD1 LEU A 73 17.904 38.671 10.154 1.00 0.00 C ATOM 1179 CD2 LEU A 73 18.891 37.848 7.963 1.00 0.00 C ATOM 0 H LEU A 73 15.282 35.095 8.681 1.00 0.00 H new ATOM 0 HA LEU A 73 18.068 35.104 7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.082 36.078 10.364 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.765 35.929 9.900 1.00 0.00 H new ATOM 0 HG LEU A 73 16.785 37.805 8.552 1.00 0.00 H new ATOM 0 HD11 LEU A 73 17.891 39.678 9.737 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.077 38.557 10.855 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.847 38.507 10.676 1.00 0.00 H new ATOM 0 HD21 LEU A 73 18.877 38.881 7.616 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.856 37.632 8.421 1.00 0.00 H new ATOM 0 HD23 LEU A 73 18.733 37.179 7.117 1.00 0.00 H new ATOM 1191 N ARG A 74 16.398 32.874 9.068 1.00 0.00 N ATOM 1192 CA ARG A 74 16.366 31.477 9.456 1.00 0.00 C ATOM 1193 C ARG A 74 15.207 30.821 8.708 1.00 0.00 C ATOM 1194 O ARG A 74 14.161 31.433 8.572 1.00 0.00 O ATOM 1195 CB ARG A 74 16.170 31.336 11.011 1.00 0.00 C ATOM 1196 CG ARG A 74 17.286 31.742 12.002 1.00 0.00 C ATOM 1197 CD ARG A 74 18.467 30.741 11.899 1.00 0.00 C ATOM 1198 NE ARG A 74 19.438 31.193 12.959 1.00 0.00 N ATOM 1199 CZ ARG A 74 20.652 30.730 13.111 1.00 0.00 C ATOM 1200 NH1 ARG A 74 21.078 29.628 12.564 1.00 0.00 N ATOM 1201 NH2 ARG A 74 21.445 31.173 14.031 1.00 0.00 N ATOM 0 H ARG A 74 15.498 33.225 8.740 1.00 0.00 H new ATOM 0 HA ARG A 74 17.308 30.991 9.203 1.00 0.00 H new ATOM 0 HB2 ARG A 74 15.285 31.916 11.274 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.935 30.290 11.208 1.00 0.00 H new ATOM 0 HG2 ARG A 74 17.632 32.752 11.781 1.00 0.00 H new ATOM 0 HG3 ARG A 74 16.895 31.755 13.019 1.00 0.00 H new ATOM 0 HD2 ARG A 74 18.136 29.717 12.074 1.00 0.00 H new ATOM 0 HD3 ARG A 74 18.922 30.764 10.909 1.00 0.00 H new ATOM 0 HE ARG A 74 19.125 31.915 13.608 1.00 0.00 H new ATOM 0 HH11 ARG A 74 20.452 29.074 11.979 1.00 0.00 H new ATOM 0 HH12 ARG A 74 22.037 29.319 12.720 1.00 0.00 H new ATOM 0 HH21 ARG A 74 21.130 31.906 14.666 1.00 0.00 H new ATOM 0 HH22 ARG A 74 22.386 30.789 14.122 1.00 0.00 H new ATOM 1215 N GLY A 75 15.420 29.538 8.261 1.00 0.00 N ATOM 1216 CA GLY A 75 14.529 28.728 7.418 1.00 0.00 C ATOM 1217 C GLY A 75 13.022 28.751 7.641 1.00 0.00 C ATOM 1218 O GLY A 75 12.486 28.927 8.733 1.00 0.00 O ATOM 0 H GLY A 75 16.271 29.032 8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.706 29.025 6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.852 27.691 7.511 1.00 0.00 H new ATOM 1222 N GLY A 76 12.303 28.547 6.541 1.00 0.00 N ATOM 1223 CA GLY A 76 10.845 28.428 6.590 1.00 0.00 C ATOM 1224 C GLY A 76 10.100 29.714 6.239 1.00 0.00 C ATOM 1225 O GLY A 76 10.492 30.773 6.702 1.00 0.00 O ATOM 1226 OXT GLY A 76 9.059 29.653 5.590 1.00 0.00 O ATOM 0 H GLY A 76 12.702 28.461 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.533 27.641 5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.551 28.113 7.591 1.00 0.00 H new TER 1230 GLY A 76