USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 522 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 48 LYS NZ :NH3+ -134:sc= 0.641 (180deg=-0.594) USER MOD Set 1.2: A 60 ASN :FLIP amide:sc= -3.69! C(o=-5.4!,f=-3!) USER MOD Set 2.1: A 31 GLN : amide:sc= -7.41! C(o=-11!,f=-14!) USER MOD Set 2.2: A 41 GLN : amide:sc= -3.16! C(o=-11!,f=-17!) USER MOD Single : A 1 MET CE :methyl -117:sc= -5.67! (180deg=-8.48!) USER MOD Single : A 1 MET N :NH3+ 157:sc=-0.00888 (180deg=-0.363) USER MOD Single : A 2 GLN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -120:sc= -3.35! USER MOD Single : A 9 THR OG1 : rot 9:sc= 0.144! USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= -0.0117 (180deg=-0.175) 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 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0488 X(o=-0.049,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.34 F(o=-2.8!,f=-1.3) USER MOD Single : A 49 GLN : amide:sc=-0.00835 X(o=-0.0083,f=-0.0015) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.73! USER MOD Single : A 57 SER OG : rot -22:sc= 0.0742 USER MOD Single : A 59 TYR OH : rot 60:sc= -1.67 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 65:sc= 0.779 USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.0812 F(o=-1.2,f=-0.081) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.275 -8.997 9.968 1.00 0.00 N ATOM 2 CA MET A 1 0.780 -8.240 9.317 1.00 0.00 C ATOM 3 C MET A 1 0.536 -6.736 9.446 1.00 0.00 C ATOM 4 O MET A 1 -0.587 -6.268 9.260 1.00 0.00 O ATOM 5 CB MET A 1 0.845 -8.623 7.837 1.00 0.00 C ATOM 6 CG MET A 1 -0.523 -8.469 7.171 1.00 0.00 C ATOM 7 SD MET A 1 -0.350 -8.553 5.396 1.00 0.00 S ATOM 8 CE MET A 1 -0.197 -6.816 5.016 1.00 0.00 C ATOM 0 H1 MET A 1 -0.320 -9.952 9.559 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.076 -9.065 10.986 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.186 -8.516 9.825 1.00 0.00 H new ATOM 0 HA MET A 1 1.726 -8.478 9.804 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.575 -7.994 7.327 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.187 -9.653 7.739 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.196 -9.254 7.517 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.971 -7.517 7.457 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.036 -6.504 4.394 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.198 -6.240 5.941 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.736 -6.642 4.481 1.00 0.00 H new ATOM 16 N GLN A 2 1.605 -6.019 9.760 1.00 0.00 N ATOM 17 CA GLN A 2 1.519 -4.577 9.915 1.00 0.00 C ATOM 18 C GLN A 2 2.451 -3.880 8.922 1.00 0.00 C ATOM 19 O GLN A 2 3.670 -3.897 9.090 1.00 0.00 O ATOM 20 CB GLN A 2 1.840 -4.160 11.352 1.00 0.00 C ATOM 21 CG GLN A 2 0.833 -4.760 12.335 1.00 0.00 C ATOM 22 CD GLN A 2 1.109 -4.284 13.763 1.00 0.00 C ATOM 23 OE1 GLN A 2 2.139 -4.568 14.351 1.00 0.00 O ATOM 24 NE2 GLN A 2 0.134 -3.546 14.285 1.00 0.00 N ATOM 0 H GLN A 2 2.535 -6.410 9.911 1.00 0.00 H new ATOM 0 HA GLN A 2 0.496 -4.269 9.701 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.847 -4.486 11.613 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.827 -3.073 11.431 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.178 -4.477 12.043 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.884 -5.848 12.294 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.703 -3.346 13.737 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.223 -3.180 15.233 1.00 0.00 H new ATOM 31 N ILE A 3 1.842 -3.283 7.908 1.00 0.00 N ATOM 32 CA ILE A 3 2.602 -2.582 6.886 1.00 0.00 C ATOM 33 C ILE A 3 2.593 -1.082 7.190 1.00 0.00 C ATOM 34 O ILE A 3 1.833 -0.622 8.041 1.00 0.00 O ATOM 35 CB ILE A 3 2.075 -2.931 5.492 1.00 0.00 C ATOM 36 CG1 ILE A 3 0.655 -2.397 5.293 1.00 0.00 C ATOM 37 CG2 ILE A 3 2.164 -4.436 5.234 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.674 -1.044 4.580 1.00 0.00 C ATOM 0 H ILE A 3 0.831 -3.270 7.772 1.00 0.00 H new ATOM 0 HA ILE A 3 3.643 -2.904 6.897 1.00 0.00 H new ATOM 0 HB ILE A 3 2.709 -2.440 4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.072 -3.111 4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.162 -2.296 6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.783 -4.657 4.237 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.203 -4.756 5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.569 -4.968 5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.348 -0.686 4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.237 -0.326 5.177 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.146 -1.154 3.604 1.00 0.00 H new ATOM 49 N PHE A 4 3.446 -0.362 6.477 1.00 0.00 N ATOM 50 CA PHE A 4 3.545 1.076 6.659 1.00 0.00 C ATOM 51 C PHE A 4 3.497 1.804 5.314 1.00 0.00 C ATOM 52 O PHE A 4 3.195 1.199 4.287 1.00 0.00 O ATOM 53 CB PHE A 4 4.895 1.350 7.327 1.00 0.00 C ATOM 54 CG PHE A 4 5.171 0.477 8.551 1.00 0.00 C ATOM 55 CD1 PHE A 4 4.689 0.841 9.769 1.00 0.00 C ATOM 56 CD2 PHE A 4 5.901 -0.663 8.423 1.00 0.00 C ATOM 57 CE1 PHE A 4 4.946 0.030 10.907 1.00 0.00 C ATOM 58 CE2 PHE A 4 6.158 -1.474 9.560 1.00 0.00 C ATOM 59 CZ PHE A 4 5.675 -1.110 10.777 1.00 0.00 C ATOM 0 H PHE A 4 4.075 -0.747 5.772 1.00 0.00 H new ATOM 0 HA PHE A 4 2.712 1.433 7.264 1.00 0.00 H new ATOM 0 HB2 PHE A 4 5.689 1.195 6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.936 2.398 7.624 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.110 1.747 9.872 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.286 -0.952 7.456 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.563 0.319 11.874 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.737 -2.380 9.458 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.870 -1.727 11.642 1.00 0.00 H new ATOM 68 N VAL A 5 3.802 3.093 5.364 1.00 0.00 N ATOM 69 CA VAL A 5 3.798 3.909 4.161 1.00 0.00 C ATOM 70 C VAL A 5 4.624 5.174 4.407 1.00 0.00 C ATOM 71 O VAL A 5 4.620 5.718 5.510 1.00 0.00 O ATOM 72 CB VAL A 5 2.359 4.208 3.737 1.00 0.00 C ATOM 73 CG1 VAL A 5 1.547 4.767 4.907 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.327 5.162 2.541 1.00 0.00 C ATOM 0 H VAL A 5 4.053 3.592 6.218 1.00 0.00 H new ATOM 0 HA VAL A 5 4.262 3.373 3.333 1.00 0.00 H new ATOM 0 HB VAL A 5 1.899 3.269 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.528 4.971 4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.528 4.038 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.006 5.691 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.292 5.358 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.814 6.099 2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.852 4.709 1.700 1.00 0.00 H new ATOM 84 N LYS A 6 5.311 5.605 3.360 1.00 0.00 N ATOM 85 CA LYS A 6 6.139 6.797 3.448 1.00 0.00 C ATOM 86 C LYS A 6 5.538 7.896 2.571 1.00 0.00 C ATOM 87 O LYS A 6 5.516 7.778 1.347 1.00 0.00 O ATOM 88 CB LYS A 6 7.594 6.463 3.106 1.00 0.00 C ATOM 89 CG LYS A 6 8.401 6.171 4.372 1.00 0.00 C ATOM 90 CD LYS A 6 9.618 7.092 4.472 1.00 0.00 C ATOM 91 CE LYS A 6 10.877 6.396 3.950 1.00 0.00 C ATOM 92 NZ LYS A 6 12.069 7.243 4.179 1.00 0.00 N ATOM 0 H LYS A 6 5.312 5.151 2.447 1.00 0.00 H new ATOM 0 HA LYS A 6 6.154 7.177 4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.626 5.599 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.045 7.296 2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.768 6.303 5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.727 5.131 4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.438 8.002 3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.767 7.392 5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.004 5.436 4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.770 6.188 2.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.915 6.757 3.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.952 8.149 3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.179 7.420 5.198 1.00 0.00 H new ATOM 102 N THR A 7 5.064 8.943 3.231 1.00 0.00 N ATOM 103 CA THR A 7 4.463 10.063 2.528 1.00 0.00 C ATOM 104 C THR A 7 5.549 10.995 1.986 1.00 0.00 C ATOM 105 O THR A 7 6.737 10.756 2.192 1.00 0.00 O ATOM 106 CB THR A 7 3.490 10.756 3.484 1.00 0.00 C ATOM 107 OG1 THR A 7 4.331 11.520 4.343 1.00 0.00 O ATOM 108 CG2 THR A 7 2.793 9.770 4.426 1.00 0.00 C ATOM 0 H THR A 7 5.084 9.039 4.246 1.00 0.00 H new ATOM 0 HA THR A 7 3.900 9.727 1.657 1.00 0.00 H new ATOM 0 HB THR A 7 2.741 11.300 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.202 11.229 5.270 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.114 10.313 5.083 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.229 9.044 3.840 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.540 9.250 5.026 1.00 0.00 H new ATOM 116 N LEU A 8 5.100 12.039 1.304 1.00 0.00 N ATOM 117 CA LEU A 8 6.019 13.009 0.730 1.00 0.00 C ATOM 118 C LEU A 8 6.874 13.615 1.844 1.00 0.00 C ATOM 119 O LEU A 8 8.041 13.940 1.629 1.00 0.00 O ATOM 120 CB LEU A 8 5.255 14.048 -0.094 1.00 0.00 C ATOM 121 CG LEU A 8 4.805 13.600 -1.485 1.00 0.00 C ATOM 122 CD1 LEU A 8 4.014 14.707 -2.188 1.00 0.00 C ATOM 123 CD2 LEU A 8 5.995 13.128 -2.322 1.00 0.00 C ATOM 0 H LEU A 8 4.113 12.235 1.136 1.00 0.00 H new ATOM 0 HA LEU A 8 6.701 12.522 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.374 14.354 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.885 14.930 -0.204 1.00 0.00 H new ATOM 0 HG LEU A 8 4.135 12.748 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.706 14.363 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.132 14.955 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.641 15.592 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.646 12.815 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.709 13.944 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.479 12.288 -1.825 1.00 0.00 H new ATOM 134 N THR A 9 6.261 13.749 3.011 1.00 0.00 N ATOM 135 CA THR A 9 6.953 14.311 4.160 1.00 0.00 C ATOM 136 C THR A 9 7.837 13.251 4.820 1.00 0.00 C ATOM 137 O THR A 9 8.712 13.579 5.620 1.00 0.00 O ATOM 138 CB THR A 9 5.902 14.900 5.102 1.00 0.00 C ATOM 139 OG1 THR A 9 6.604 15.097 6.326 1.00 0.00 O ATOM 140 CG2 THR A 9 4.806 13.892 5.460 1.00 0.00 C ATOM 0 H THR A 9 5.293 13.478 3.186 1.00 0.00 H new ATOM 0 HA THR A 9 7.629 15.113 3.863 1.00 0.00 H new ATOM 0 HB THR A 9 5.452 15.778 4.639 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.561 14.941 6.183 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.086 14.361 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.299 13.568 4.551 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.253 13.029 5.953 1.00 0.00 H new ATOM 148 N GLY A 10 7.577 12.003 4.461 1.00 0.00 N ATOM 149 CA GLY A 10 8.339 10.893 5.010 1.00 0.00 C ATOM 150 C GLY A 10 7.575 10.213 6.148 1.00 0.00 C ATOM 151 O GLY A 10 7.764 9.026 6.404 1.00 0.00 O ATOM 0 H GLY A 10 6.850 11.735 3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.549 10.168 4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.300 11.253 5.377 1.00 0.00 H new ATOM 155 N LYS A 11 6.729 10.997 6.800 1.00 0.00 N ATOM 156 CA LYS A 11 5.936 10.485 7.905 1.00 0.00 C ATOM 157 C LYS A 11 5.547 9.034 7.619 1.00 0.00 C ATOM 158 O LYS A 11 5.024 8.727 6.550 1.00 0.00 O ATOM 159 CB LYS A 11 4.740 11.401 8.175 1.00 0.00 C ATOM 160 CG LYS A 11 4.943 12.202 9.463 1.00 0.00 C ATOM 161 CD LYS A 11 3.878 11.846 10.503 1.00 0.00 C ATOM 162 CE LYS A 11 2.621 12.697 10.316 1.00 0.00 C ATOM 163 NZ LYS A 11 2.859 14.082 10.782 1.00 0.00 N ATOM 0 H LYS A 11 6.575 11.982 6.585 1.00 0.00 H new ATOM 0 HA LYS A 11 6.521 10.483 8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.603 12.083 7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.831 10.805 8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.934 12.000 9.869 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.900 13.269 9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.622 10.790 10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.278 11.998 11.505 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.333 12.705 9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.792 12.258 10.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.947 14.557 10.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.395 14.061 11.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.402 14.602 10.063 1.00 0.00 H new ATOM 173 N THR A 12 5.817 8.179 8.595 1.00 0.00 N ATOM 174 CA THR A 12 5.502 6.768 8.461 1.00 0.00 C ATOM 175 C THR A 12 4.156 6.457 9.121 1.00 0.00 C ATOM 176 O THR A 12 3.967 6.723 10.308 1.00 0.00 O ATOM 177 CB THR A 12 6.665 5.966 9.048 1.00 0.00 C ATOM 178 OG1 THR A 12 7.614 5.903 7.986 1.00 0.00 O ATOM 179 CG2 THR A 12 6.297 4.503 9.307 1.00 0.00 C ATOM 0 H THR A 12 6.250 8.437 9.482 1.00 0.00 H new ATOM 0 HA THR A 12 5.389 6.486 7.414 1.00 0.00 H new ATOM 0 HB THR A 12 6.990 6.428 9.980 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.402 5.401 8.281 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.158 3.980 9.723 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.468 4.456 10.013 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.003 4.030 8.370 1.00 0.00 H new ATOM 187 N ILE A 13 3.258 5.899 8.324 1.00 0.00 N ATOM 188 CA ILE A 13 1.935 5.549 8.816 1.00 0.00 C ATOM 189 C ILE A 13 1.789 4.026 8.834 1.00 0.00 C ATOM 190 O ILE A 13 2.009 3.366 7.820 1.00 0.00 O ATOM 191 CB ILE A 13 0.855 6.261 8.000 1.00 0.00 C ATOM 192 CG1 ILE A 13 0.743 7.733 8.403 1.00 0.00 C ATOM 193 CG2 ILE A 13 -0.486 5.532 8.111 1.00 0.00 C ATOM 194 CD1 ILE A 13 1.745 8.591 7.628 1.00 0.00 C ATOM 0 H ILE A 13 3.419 5.680 7.341 1.00 0.00 H new ATOM 0 HA ILE A 13 1.806 5.894 9.842 1.00 0.00 H new ATOM 0 HB ILE A 13 1.149 6.237 6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.269 8.090 8.214 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.922 7.835 9.473 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.236 6.059 7.522 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.379 4.514 7.736 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.799 5.503 9.155 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.645 9.633 7.933 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.758 8.247 7.838 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.547 8.505 6.559 1.00 0.00 H new ATOM 205 N THR A 14 1.420 3.513 9.998 1.00 0.00 N ATOM 206 CA THR A 14 1.242 2.081 10.163 1.00 0.00 C ATOM 207 C THR A 14 -0.133 1.652 9.645 1.00 0.00 C ATOM 208 O THR A 14 -1.104 2.397 9.760 1.00 0.00 O ATOM 209 CB THR A 14 1.469 1.742 11.637 1.00 0.00 C ATOM 210 OG1 THR A 14 2.535 2.601 12.031 1.00 0.00 O ATOM 211 CG2 THR A 14 2.033 0.333 11.834 1.00 0.00 C ATOM 0 H THR A 14 1.239 4.064 10.837 1.00 0.00 H new ATOM 0 HA THR A 14 1.967 1.522 9.572 1.00 0.00 H new ATOM 0 HB THR A 14 0.528 1.835 12.180 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.746 2.448 12.976 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.175 0.144 12.898 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.336 -0.398 11.425 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.990 0.249 11.319 1.00 0.00 H new ATOM 219 N LEU A 15 -0.170 0.451 9.085 1.00 0.00 N ATOM 220 CA LEU A 15 -1.409 -0.086 8.549 1.00 0.00 C ATOM 221 C LEU A 15 -1.661 -1.470 9.151 1.00 0.00 C ATOM 222 O LEU A 15 -0.785 -2.037 9.801 1.00 0.00 O ATOM 223 CB LEU A 15 -1.380 -0.076 7.020 1.00 0.00 C ATOM 224 CG LEU A 15 -1.598 1.284 6.353 1.00 0.00 C ATOM 225 CD1 LEU A 15 -2.667 2.091 7.093 1.00 0.00 C ATOM 226 CD2 LEU A 15 -0.281 2.052 6.231 1.00 0.00 C ATOM 0 H LEU A 15 0.638 -0.165 8.991 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.252 0.544 8.832 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.418 -0.469 6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.145 -0.763 6.658 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.966 1.114 5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.803 3.053 6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.609 1.542 7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.352 2.253 8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.464 3.015 5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.139 2.213 7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.422 1.476 5.629 1.00 0.00 H new ATOM 237 N GLU A 16 -2.864 -1.974 8.912 1.00 0.00 N ATOM 238 CA GLU A 16 -3.242 -3.281 9.421 1.00 0.00 C ATOM 239 C GLU A 16 -4.029 -4.056 8.362 1.00 0.00 C ATOM 240 O GLU A 16 -5.149 -4.496 8.615 1.00 0.00 O ATOM 241 CB GLU A 16 -4.048 -3.152 10.716 1.00 0.00 C ATOM 242 CG GLU A 16 -3.401 -3.954 11.847 1.00 0.00 C ATOM 243 CD GLU A 16 -4.458 -4.684 12.676 1.00 0.00 C ATOM 244 OE1 GLU A 16 -5.162 -3.987 13.439 1.00 0.00 O ATOM 245 OE2 GLU A 16 -4.539 -5.923 12.529 1.00 0.00 O ATOM 0 H GLU A 16 -3.589 -1.500 8.373 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.333 -3.837 9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.117 -2.103 11.003 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.066 -3.505 10.552 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.699 -4.676 11.430 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.828 -3.286 12.489 1.00 0.00 H new ATOM 250 N VAL A 17 -3.410 -4.200 7.200 1.00 0.00 N ATOM 251 CA VAL A 17 -4.038 -4.915 6.101 1.00 0.00 C ATOM 252 C VAL A 17 -3.634 -6.389 6.161 1.00 0.00 C ATOM 253 O VAL A 17 -3.019 -6.829 7.131 1.00 0.00 O ATOM 254 CB VAL A 17 -3.679 -4.250 4.771 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.396 -2.906 4.619 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.165 -4.082 4.633 1.00 0.00 C ATOM 0 H VAL A 17 -2.480 -3.834 6.995 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.124 -4.872 6.188 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.018 -4.904 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.124 -2.454 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.474 -3.063 4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.101 -2.242 5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.937 -3.607 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.792 -3.459 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.685 -5.060 4.675 1.00 0.00 H new ATOM 266 N GLU A 18 -3.995 -7.111 5.110 1.00 0.00 N ATOM 267 CA GLU A 18 -3.678 -8.527 5.030 1.00 0.00 C ATOM 268 C GLU A 18 -2.998 -8.844 3.697 1.00 0.00 C ATOM 269 O GLU A 18 -3.035 -8.038 2.770 1.00 0.00 O ATOM 270 CB GLU A 18 -4.932 -9.381 5.224 1.00 0.00 C ATOM 271 CG GLU A 18 -4.993 -9.952 6.643 1.00 0.00 C ATOM 272 CD GLU A 18 -6.065 -9.244 7.472 1.00 0.00 C ATOM 273 OE1 GLU A 18 -7.244 -9.637 7.332 1.00 0.00 O ATOM 274 OE2 GLU A 18 -5.682 -8.326 8.230 1.00 0.00 O ATOM 0 H GLU A 18 -4.504 -6.742 4.307 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.985 -8.771 5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.820 -8.778 5.032 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.937 -10.196 4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.207 -11.020 6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.022 -9.841 7.126 1.00 0.00 H new ATOM 279 N PRO A 19 -2.378 -10.054 3.642 1.00 0.00 N ATOM 280 CA PRO A 19 -1.691 -10.488 2.437 1.00 0.00 C ATOM 281 C PRO A 19 -2.691 -10.913 1.359 1.00 0.00 C ATOM 282 O PRO A 19 -2.340 -11.000 0.184 1.00 0.00 O ATOM 283 CB PRO A 19 -0.785 -11.622 2.888 1.00 0.00 C ATOM 284 CG PRO A 19 -1.336 -12.089 4.225 1.00 0.00 C ATOM 285 CD PRO A 19 -2.314 -11.035 4.721 1.00 0.00 C ATOM 0 HA PRO A 19 -1.109 -9.691 1.974 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.784 -12.434 2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.246 -11.282 2.988 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.835 -13.052 4.117 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.528 -12.228 4.943 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.294 -11.467 4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.969 -10.581 5.650 1.00 0.00 H new ATOM 290 N SER A 20 -3.914 -11.164 1.799 1.00 0.00 N ATOM 291 CA SER A 20 -4.967 -11.578 0.887 1.00 0.00 C ATOM 292 C SER A 20 -5.793 -10.364 0.456 1.00 0.00 C ATOM 293 O SER A 20 -6.634 -10.466 -0.436 1.00 0.00 O ATOM 294 CB SER A 20 -5.869 -12.634 1.528 1.00 0.00 C ATOM 295 OG SER A 20 -5.146 -13.809 1.885 1.00 0.00 O ATOM 0 H SER A 20 -4.200 -11.089 2.775 1.00 0.00 H new ATOM 0 HA SER A 20 -4.502 -12.024 0.008 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.342 -12.216 2.416 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.668 -12.897 0.835 1.00 0.00 H new ATOM 0 HG SER A 20 -5.757 -14.458 2.293 1.00 0.00 H new ATOM 300 N ASP A 21 -5.523 -9.244 1.108 1.00 0.00 N ATOM 301 CA ASP A 21 -6.231 -8.011 0.805 1.00 0.00 C ATOM 302 C ASP A 21 -5.724 -7.453 -0.526 1.00 0.00 C ATOM 303 O ASP A 21 -4.925 -8.092 -1.208 1.00 0.00 O ATOM 304 CB ASP A 21 -5.987 -6.956 1.884 1.00 0.00 C ATOM 305 CG ASP A 21 -7.023 -6.931 3.010 1.00 0.00 C ATOM 306 OD1 ASP A 21 -7.299 -8.024 3.550 1.00 0.00 O ATOM 307 OD2 ASP A 21 -7.516 -5.820 3.304 1.00 0.00 O ATOM 0 H ASP A 21 -4.823 -9.163 1.846 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.296 -8.236 0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.002 -7.125 2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.962 -5.974 1.412 1.00 0.00 H new ATOM 311 N THR A 22 -6.210 -6.265 -0.857 1.00 0.00 N ATOM 312 CA THR A 22 -5.816 -5.613 -2.094 1.00 0.00 C ATOM 313 C THR A 22 -5.096 -4.296 -1.797 1.00 0.00 C ATOM 314 O THR A 22 -5.057 -3.850 -0.651 1.00 0.00 O ATOM 315 CB THR A 22 -7.068 -5.440 -2.956 1.00 0.00 C ATOM 316 OG1 THR A 22 -7.552 -6.768 -3.137 1.00 0.00 O ATOM 317 CG2 THR A 22 -6.741 -4.964 -4.374 1.00 0.00 C ATOM 0 H THR A 22 -6.873 -5.737 -0.289 1.00 0.00 H new ATOM 0 HA THR A 22 -5.101 -6.219 -2.651 1.00 0.00 H new ATOM 0 HB THR A 22 -7.741 -4.727 -2.480 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.365 -6.748 -3.684 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.664 -4.857 -4.944 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.231 -4.002 -4.326 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.095 -5.693 -4.863 1.00 0.00 H new ATOM 325 N ILE A 23 -4.543 -3.710 -2.848 1.00 0.00 N ATOM 326 CA ILE A 23 -3.826 -2.454 -2.715 1.00 0.00 C ATOM 327 C ILE A 23 -4.822 -1.333 -2.410 1.00 0.00 C ATOM 328 O ILE A 23 -4.631 -0.568 -1.467 1.00 0.00 O ATOM 329 CB ILE A 23 -2.967 -2.192 -3.953 1.00 0.00 C ATOM 330 CG1 ILE A 23 -1.622 -2.915 -3.850 1.00 0.00 C ATOM 331 CG2 ILE A 23 -2.794 -0.692 -4.194 1.00 0.00 C ATOM 332 CD1 ILE A 23 -0.906 -2.555 -2.547 1.00 0.00 C ATOM 0 H ILE A 23 -4.577 -4.083 -3.797 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.130 -2.501 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.486 -2.599 -4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.779 -3.993 -3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.995 -2.647 -4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.179 -0.534 -5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.771 -0.232 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.308 -0.238 -3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.047 -3.082 -2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.729 -1.480 -2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.526 -2.846 -1.699 1.00 0.00 H new ATOM 343 N GLU A 24 -5.865 -1.273 -3.226 1.00 0.00 N ATOM 344 CA GLU A 24 -6.891 -0.259 -3.055 1.00 0.00 C ATOM 345 C GLU A 24 -7.472 -0.325 -1.641 1.00 0.00 C ATOM 346 O GLU A 24 -8.077 0.637 -1.170 1.00 0.00 O ATOM 347 CB GLU A 24 -7.991 -0.410 -4.108 1.00 0.00 C ATOM 348 CG GLU A 24 -9.211 0.441 -3.752 1.00 0.00 C ATOM 349 CD GLU A 24 -9.853 1.033 -5.008 1.00 0.00 C ATOM 350 OE1 GLU A 24 -10.570 0.270 -5.692 1.00 0.00 O ATOM 351 OE2 GLU A 24 -9.613 2.234 -5.256 1.00 0.00 O ATOM 0 H GLU A 24 -6.021 -1.910 -4.007 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.433 0.721 -3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.608 -0.113 -5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.284 -1.457 -4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.941 -0.169 -3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.914 1.245 -3.078 1.00 0.00 H new ATOM 356 N ASN A 25 -7.267 -1.468 -1.005 1.00 0.00 N ATOM 357 CA ASN A 25 -7.763 -1.672 0.346 1.00 0.00 C ATOM 358 C ASN A 25 -6.807 -1.011 1.341 1.00 0.00 C ATOM 359 O ASN A 25 -7.206 -0.656 2.449 1.00 0.00 O ATOM 360 CB ASN A 25 -7.843 -3.162 0.685 1.00 0.00 C ATOM 361 CG ASN A 25 -9.280 -3.673 0.573 1.00 0.00 C ATOM 362 OD1 ASN A 25 -9.946 -3.953 1.557 1.00 0.00 O ATOM 363 ND2 ASN A 25 -9.722 -3.779 -0.677 1.00 0.00 N ATOM 0 H ASN A 25 -6.764 -2.263 -1.399 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.759 -1.234 0.409 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.199 -3.727 0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.472 -3.329 1.696 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.670 -4.111 -0.856 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.113 -3.528 -1.456 1.00 0.00 H new ATOM 369 N VAL A 26 -5.563 -0.866 0.910 1.00 0.00 N ATOM 370 CA VAL A 26 -4.547 -0.253 1.749 1.00 0.00 C ATOM 371 C VAL A 26 -4.661 1.270 1.653 1.00 0.00 C ATOM 372 O VAL A 26 -4.718 1.957 2.671 1.00 0.00 O ATOM 373 CB VAL A 26 -3.163 -0.774 1.358 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.070 -0.109 2.197 1.00 0.00 C ATOM 375 CG2 VAL A 26 -3.096 -2.298 1.479 1.00 0.00 C ATOM 0 H VAL A 26 -5.235 -1.162 -0.009 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.700 -0.525 2.793 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.990 -0.513 0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.096 -0.497 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.095 0.969 2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.239 -0.325 3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.101 -2.642 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.301 -2.591 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.838 -2.748 0.819 1.00 0.00 H new ATOM 385 N LYS A 27 -4.692 1.752 0.419 1.00 0.00 N ATOM 386 CA LYS A 27 -4.799 3.181 0.177 1.00 0.00 C ATOM 387 C LYS A 27 -6.075 3.712 0.834 1.00 0.00 C ATOM 388 O LYS A 27 -6.062 4.774 1.453 1.00 0.00 O ATOM 389 CB LYS A 27 -4.710 3.479 -1.321 1.00 0.00 C ATOM 390 CG LYS A 27 -3.279 3.296 -1.833 1.00 0.00 C ATOM 391 CD LYS A 27 -3.249 2.392 -3.065 1.00 0.00 C ATOM 392 CE LYS A 27 -3.162 3.219 -4.350 1.00 0.00 C ATOM 393 NZ LYS A 27 -4.064 2.665 -5.385 1.00 0.00 N ATOM 0 H LYS A 27 -4.645 1.179 -0.423 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.961 3.708 0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.383 2.818 -1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.041 4.500 -1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.850 4.267 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.660 2.865 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.395 1.717 -3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.145 1.772 -3.087 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.430 4.255 -4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.136 3.223 -4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.993 3.238 -6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.790 1.684 -5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.044 2.683 -5.037 1.00 0.00 H new ATOM 403 N ALA A 28 -7.145 2.946 0.677 1.00 0.00 N ATOM 404 CA ALA A 28 -8.427 3.325 1.248 1.00 0.00 C ATOM 405 C ALA A 28 -8.244 3.643 2.734 1.00 0.00 C ATOM 406 O ALA A 28 -8.963 4.474 3.287 1.00 0.00 O ATOM 407 CB ALA A 28 -9.442 2.207 1.011 1.00 0.00 C ATOM 0 H ALA A 28 -7.151 2.065 0.163 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.813 4.222 0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.403 2.491 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.557 2.041 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.091 1.290 1.485 1.00 0.00 H new ATOM 413 N LYS A 29 -7.279 2.964 3.337 1.00 0.00 N ATOM 414 CA LYS A 29 -6.994 3.164 4.748 1.00 0.00 C ATOM 415 C LYS A 29 -6.217 4.470 4.927 1.00 0.00 C ATOM 416 O LYS A 29 -6.368 5.152 5.939 1.00 0.00 O ATOM 417 CB LYS A 29 -6.283 1.940 5.328 1.00 0.00 C ATOM 418 CG LYS A 29 -7.281 0.824 5.642 1.00 0.00 C ATOM 419 CD LYS A 29 -6.572 -0.393 6.242 1.00 0.00 C ATOM 420 CE LYS A 29 -7.540 -1.236 7.074 1.00 0.00 C ATOM 421 NZ LYS A 29 -7.392 -0.927 8.514 1.00 0.00 N ATOM 0 H LYS A 29 -6.685 2.275 2.875 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.920 3.264 5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.538 1.578 4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.749 2.221 6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.035 1.191 6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.804 0.532 4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.148 -1.002 5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.742 -0.063 6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.565 -1.041 6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.349 -2.295 6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.056 -1.508 9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.419 -1.135 8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.597 0.080 8.676 1.00 0.00 H new ATOM 431 N ILE A 30 -5.402 4.778 3.928 1.00 0.00 N ATOM 432 CA ILE A 30 -4.602 5.989 3.963 1.00 0.00 C ATOM 433 C ILE A 30 -5.502 7.199 3.703 1.00 0.00 C ATOM 434 O ILE A 30 -5.205 8.305 4.150 1.00 0.00 O ATOM 435 CB ILE A 30 -3.424 5.880 2.992 1.00 0.00 C ATOM 436 CG1 ILE A 30 -2.814 4.478 3.024 1.00 0.00 C ATOM 437 CG2 ILE A 30 -2.380 6.964 3.272 1.00 0.00 C ATOM 438 CD1 ILE A 30 -2.506 4.046 4.459 1.00 0.00 C ATOM 0 H ILE A 30 -5.279 4.209 3.090 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.162 6.126 4.951 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.799 6.046 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.503 3.768 2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.899 4.462 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.554 6.864 2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.837 7.947 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.005 6.854 4.290 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.073 3.046 4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.798 4.745 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.427 4.039 5.043 1.00 0.00 H new ATOM 449 N GLN A 31 -6.585 6.946 2.983 1.00 0.00 N ATOM 450 CA GLN A 31 -7.531 8.001 2.659 1.00 0.00 C ATOM 451 C GLN A 31 -8.089 8.625 3.940 1.00 0.00 C ATOM 452 O GLN A 31 -8.107 9.846 4.082 1.00 0.00 O ATOM 453 CB GLN A 31 -8.658 7.471 1.770 1.00 0.00 C ATOM 454 CG GLN A 31 -8.338 7.691 0.290 1.00 0.00 C ATOM 455 CD GLN A 31 -7.225 6.752 -0.176 1.00 0.00 C ATOM 456 OE1 GLN A 31 -7.420 5.562 -0.364 1.00 0.00 O ATOM 457 NE2 GLN A 31 -6.051 7.351 -0.353 1.00 0.00 N ATOM 0 H GLN A 31 -6.829 6.026 2.615 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.006 8.776 2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.806 6.408 1.960 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.592 7.973 2.022 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.234 7.524 -0.308 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.036 8.726 0.130 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.957 8.351 -0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.244 6.810 -0.665 1.00 0.00 H new ATOM 464 N ASP A 32 -8.530 7.757 4.839 1.00 0.00 N ATOM 465 CA ASP A 32 -9.088 8.208 6.103 1.00 0.00 C ATOM 466 C ASP A 32 -7.951 8.451 7.098 1.00 0.00 C ATOM 467 O ASP A 32 -7.848 9.533 7.675 1.00 0.00 O ATOM 468 CB ASP A 32 -10.022 7.154 6.700 1.00 0.00 C ATOM 469 CG ASP A 32 -11.338 7.699 7.257 1.00 0.00 C ATOM 470 OD1 ASP A 32 -12.256 7.915 6.437 1.00 0.00 O ATOM 471 OD2 ASP A 32 -11.397 7.885 8.492 1.00 0.00 O ATOM 0 H ASP A 32 -8.512 6.744 4.717 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.650 9.123 5.917 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.248 6.414 5.932 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.494 6.633 7.499 1.00 0.00 H new ATOM 475 N LYS A 33 -7.128 7.428 7.269 1.00 0.00 N ATOM 476 CA LYS A 33 -6.004 7.517 8.185 1.00 0.00 C ATOM 477 C LYS A 33 -5.420 8.930 8.134 1.00 0.00 C ATOM 478 O LYS A 33 -5.434 9.648 9.133 1.00 0.00 O ATOM 479 CB LYS A 33 -4.981 6.419 7.886 1.00 0.00 C ATOM 480 CG LYS A 33 -5.476 5.058 8.384 1.00 0.00 C ATOM 481 CD LYS A 33 -5.308 4.935 9.899 1.00 0.00 C ATOM 482 CE LYS A 33 -4.061 4.119 10.248 1.00 0.00 C ATOM 483 NZ LYS A 33 -3.691 4.318 11.667 1.00 0.00 N ATOM 0 H LYS A 33 -7.217 6.533 6.789 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.334 7.344 9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.795 6.372 6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.032 6.662 8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.526 4.930 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.922 4.261 7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.233 5.928 10.342 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.190 4.460 10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.247 3.062 10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.233 4.417 9.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.843 3.757 11.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.494 5.325 11.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.476 4.012 12.277 1.00 0.00 H new ATOM 493 N GLU A 34 -4.921 9.288 6.960 1.00 0.00 N ATOM 494 CA GLU A 34 -4.335 10.602 6.765 1.00 0.00 C ATOM 495 C GLU A 34 -5.431 11.646 6.539 1.00 0.00 C ATOM 496 O GLU A 34 -5.494 12.649 7.247 1.00 0.00 O ATOM 497 CB GLU A 34 -3.340 10.593 5.603 1.00 0.00 C ATOM 498 CG GLU A 34 -1.934 10.964 6.080 1.00 0.00 C ATOM 499 CD GLU A 34 -1.690 12.468 5.946 1.00 0.00 C ATOM 500 OE1 GLU A 34 -1.238 12.875 4.855 1.00 0.00 O ATOM 501 OE2 GLU A 34 -1.959 13.178 6.940 1.00 0.00 O ATOM 0 H GLU A 34 -4.911 8.690 6.134 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.787 10.869 7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.323 9.605 5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.665 11.296 4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.807 10.662 7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.192 10.418 5.497 1.00 0.00 H new ATOM 506 N GLY A 35 -6.268 11.373 5.549 1.00 0.00 N ATOM 507 CA GLY A 35 -7.359 12.274 5.221 1.00 0.00 C ATOM 508 C GLY A 35 -7.154 12.904 3.841 1.00 0.00 C ATOM 509 O GLY A 35 -7.576 14.033 3.602 1.00 0.00 O ATOM 0 H GLY A 35 -6.212 10.540 4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.303 11.730 5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.428 13.057 5.976 1.00 0.00 H new ATOM 513 N ILE A 36 -6.506 12.144 2.970 1.00 0.00 N ATOM 514 CA ILE A 36 -6.240 12.612 1.621 1.00 0.00 C ATOM 515 C ILE A 36 -6.957 11.704 0.619 1.00 0.00 C ATOM 516 O ILE A 36 -7.089 10.504 0.849 1.00 0.00 O ATOM 517 CB ILE A 36 -4.733 12.725 1.379 1.00 0.00 C ATOM 518 CG1 ILE A 36 -4.142 13.907 2.151 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.422 12.803 -0.116 1.00 0.00 C ATOM 520 CD1 ILE A 36 -2.889 13.486 2.922 1.00 0.00 C ATOM 0 H ILE A 36 -6.157 11.207 3.173 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.638 13.617 1.482 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.257 11.821 1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.894 14.711 1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.885 14.301 2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.344 12.883 -0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.789 11.904 -0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.911 13.678 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.489 14.344 3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.145 12.699 3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.139 13.115 2.223 1.00 0.00 H new ATOM 531 N PRO A 37 -7.414 12.329 -0.500 1.00 0.00 N ATOM 532 CA PRO A 37 -8.114 11.591 -1.536 1.00 0.00 C ATOM 533 C PRO A 37 -7.140 10.750 -2.362 1.00 0.00 C ATOM 534 O PRO A 37 -5.949 11.054 -2.425 1.00 0.00 O ATOM 535 CB PRO A 37 -8.829 12.651 -2.358 1.00 0.00 C ATOM 536 CG PRO A 37 -8.135 13.965 -2.040 1.00 0.00 C ATOM 537 CD PRO A 37 -7.277 13.750 -0.804 1.00 0.00 C ATOM 0 HA PRO A 37 -8.826 10.871 -1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.769 12.426 -3.423 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.887 12.696 -2.101 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.520 14.285 -2.881 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.869 14.752 -1.864 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.237 14.016 -0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.618 14.367 0.027 1.00 0.00 H new ATOM 542 N PRO A 38 -7.695 9.680 -2.993 1.00 0.00 N ATOM 543 CA PRO A 38 -6.889 8.793 -3.814 1.00 0.00 C ATOM 544 C PRO A 38 -6.542 9.447 -5.153 1.00 0.00 C ATOM 545 O PRO A 38 -5.892 8.834 -5.998 1.00 0.00 O ATOM 546 CB PRO A 38 -7.723 7.532 -3.967 1.00 0.00 C ATOM 547 CG PRO A 38 -9.148 7.931 -3.622 1.00 0.00 C ATOM 548 CD PRO A 38 -9.100 9.290 -2.943 1.00 0.00 C ATOM 0 HA PRO A 38 -5.924 8.564 -3.362 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.661 7.144 -4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.366 6.745 -3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.761 7.976 -4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.603 7.191 -2.963 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.730 10.013 -3.460 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.458 9.232 -1.915 1.00 0.00 H new ATOM 553 N ASP A 39 -6.993 10.684 -5.304 1.00 0.00 N ATOM 554 CA ASP A 39 -6.738 11.428 -6.527 1.00 0.00 C ATOM 555 C ASP A 39 -5.289 11.918 -6.528 1.00 0.00 C ATOM 556 O ASP A 39 -4.747 12.258 -7.578 1.00 0.00 O ATOM 557 CB ASP A 39 -7.652 12.652 -6.626 1.00 0.00 C ATOM 558 CG ASP A 39 -8.554 12.687 -7.861 1.00 0.00 C ATOM 559 OD1 ASP A 39 -8.047 12.321 -8.944 1.00 0.00 O ATOM 560 OD2 ASP A 39 -9.729 13.079 -7.695 1.00 0.00 O ATOM 0 H ASP A 39 -7.533 11.189 -4.601 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.928 10.766 -7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.279 12.691 -5.735 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.034 13.550 -6.621 1.00 0.00 H new ATOM 564 N GLN A 40 -4.704 11.941 -5.340 1.00 0.00 N ATOM 565 CA GLN A 40 -3.329 12.384 -5.191 1.00 0.00 C ATOM 566 C GLN A 40 -2.478 11.276 -4.567 1.00 0.00 C ATOM 567 O GLN A 40 -1.274 11.203 -4.807 1.00 0.00 O ATOM 568 CB GLN A 40 -3.253 13.667 -4.360 1.00 0.00 C ATOM 569 CG GLN A 40 -3.862 14.848 -5.118 1.00 0.00 C ATOM 570 CD GLN A 40 -4.673 15.743 -4.179 1.00 0.00 C ATOM 571 OE1 GLN A 40 -5.546 15.084 -3.423 1.00 0.00 O flip ATOM 572 NE2 GLN A 40 -4.515 16.953 -4.143 1.00 0.00 N flip ATOM 0 H GLN A 40 -5.158 11.660 -4.471 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.931 12.607 -6.181 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.780 13.525 -3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.213 13.885 -4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.070 15.431 -5.587 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.503 14.479 -5.919 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.826 17.396 -4.751 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.072 17.521 -3.504 1.00 0.00 H new ATOM 579 N GLN A 41 -3.139 10.441 -3.778 1.00 0.00 N ATOM 580 CA GLN A 41 -2.458 9.339 -3.118 1.00 0.00 C ATOM 581 C GLN A 41 -1.928 8.346 -4.154 1.00 0.00 C ATOM 582 O GLN A 41 -2.515 8.183 -5.222 1.00 0.00 O ATOM 583 CB GLN A 41 -3.383 8.645 -2.117 1.00 0.00 C ATOM 584 CG GLN A 41 -3.745 9.583 -0.964 1.00 0.00 C ATOM 585 CD GLN A 41 -3.577 8.882 0.387 1.00 0.00 C ATOM 586 OE1 GLN A 41 -2.610 8.181 0.635 1.00 0.00 O ATOM 587 NE2 GLN A 41 -4.569 9.111 1.242 1.00 0.00 N ATOM 0 H GLN A 41 -4.138 10.505 -3.581 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.611 9.741 -2.562 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.291 8.317 -2.623 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.896 7.752 -1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.112 10.469 -0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.775 9.922 -1.076 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.349 9.709 0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.550 8.689 2.170 1.00 0.00 H new ATOM 594 N ARG A 42 -0.821 7.708 -3.802 1.00 0.00 N ATOM 595 CA ARG A 42 -0.204 6.736 -4.688 1.00 0.00 C ATOM 596 C ARG A 42 0.728 5.814 -3.897 1.00 0.00 C ATOM 597 O ARG A 42 1.839 6.205 -3.541 1.00 0.00 O ATOM 598 CB ARG A 42 0.594 7.427 -5.796 1.00 0.00 C ATOM 599 CG ARG A 42 0.965 6.439 -6.903 1.00 0.00 C ATOM 600 CD ARG A 42 1.026 7.136 -8.263 1.00 0.00 C ATOM 601 NE ARG A 42 2.365 7.732 -8.466 1.00 0.00 N ATOM 602 CZ ARG A 42 2.869 8.057 -9.665 1.00 0.00 C ATOM 603 NH1 ARG A 42 2.148 7.846 -10.774 1.00 0.00 N ATOM 604 NH2 ARG A 42 4.094 8.594 -9.754 1.00 0.00 N ATOM 0 H ARG A 42 -0.336 7.845 -2.915 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.002 6.150 -5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.008 8.245 -6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.500 7.866 -5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.930 5.984 -6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.232 5.633 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.813 6.421 -9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.262 7.911 -8.318 1.00 0.00 H new ATOM 0 HE ARG A 42 2.941 7.906 -7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.216 7.438 -10.706 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.531 8.093 -11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.643 8.755 -8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.477 8.841 -10.666 1.00 0.00 H new ATOM 615 N LEU A 43 0.241 4.608 -3.647 1.00 0.00 N ATOM 616 CA LEU A 43 1.017 3.628 -2.905 1.00 0.00 C ATOM 617 C LEU A 43 2.050 2.991 -3.837 1.00 0.00 C ATOM 618 O LEU A 43 1.700 2.458 -4.888 1.00 0.00 O ATOM 619 CB LEU A 43 0.092 2.613 -2.229 1.00 0.00 C ATOM 620 CG LEU A 43 0.494 2.174 -0.820 1.00 0.00 C ATOM 621 CD1 LEU A 43 0.835 3.382 0.054 1.00 0.00 C ATOM 622 CD2 LEU A 43 -0.590 1.298 -0.188 1.00 0.00 C ATOM 0 H LEU A 43 -0.680 4.287 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 43 1.568 4.110 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.910 3.039 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.033 1.727 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 43 1.396 1.566 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.117 3.042 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.665 3.930 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.034 4.036 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.279 1.000 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.522 1.860 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.742 0.409 -0.800 1.00 0.00 H new ATOM 633 N ILE A 44 3.305 3.068 -3.416 1.00 0.00 N ATOM 634 CA ILE A 44 4.392 2.506 -4.199 1.00 0.00 C ATOM 635 C ILE A 44 5.240 1.597 -3.307 1.00 0.00 C ATOM 636 O ILE A 44 5.802 2.047 -2.310 1.00 0.00 O ATOM 637 CB ILE A 44 5.192 3.619 -4.880 1.00 0.00 C ATOM 638 CG1 ILE A 44 4.511 4.071 -6.174 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.641 3.187 -5.116 1.00 0.00 C ATOM 640 CD1 ILE A 44 5.017 3.263 -7.370 1.00 0.00 C ATOM 0 H ILE A 44 3.592 3.511 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 44 4.000 1.886 -5.006 1.00 0.00 H new ATOM 0 HB ILE A 44 5.217 4.480 -4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.431 3.953 -6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.703 5.131 -6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.187 3.996 -5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.111 2.953 -4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.658 2.304 -5.755 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.517 3.604 -8.277 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.093 3.402 -7.474 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.802 2.206 -7.212 1.00 0.00 H new ATOM 651 N PHE A 45 5.306 0.332 -3.699 1.00 0.00 N ATOM 652 CA PHE A 45 6.076 -0.644 -2.948 1.00 0.00 C ATOM 653 C PHE A 45 7.337 -1.053 -3.711 1.00 0.00 C ATOM 654 O PHE A 45 7.299 -1.241 -4.927 1.00 0.00 O ATOM 655 CB PHE A 45 5.183 -1.874 -2.767 1.00 0.00 C ATOM 656 CG PHE A 45 5.719 -2.887 -1.753 1.00 0.00 C ATOM 657 CD1 PHE A 45 6.291 -2.455 -0.597 1.00 0.00 C ATOM 658 CD2 PHE A 45 5.622 -4.219 -2.007 1.00 0.00 C ATOM 659 CE1 PHE A 45 6.787 -3.396 0.344 1.00 0.00 C ATOM 660 CE2 PHE A 45 6.119 -5.160 -1.067 1.00 0.00 C ATOM 661 CZ PHE A 45 6.691 -4.728 0.089 1.00 0.00 C ATOM 0 H PHE A 45 4.839 -0.038 -4.527 1.00 0.00 H new ATOM 0 HA PHE A 45 6.384 -0.219 -1.992 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.192 -1.548 -2.451 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.063 -2.369 -3.731 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.368 -1.397 -0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.167 -4.562 -2.924 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.241 -3.053 1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.043 -6.218 -1.270 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.069 -5.443 0.804 1.00 0.00 H new ATOM 670 N ALA A 46 8.426 -1.179 -2.967 1.00 0.00 N ATOM 671 CA ALA A 46 9.697 -1.562 -3.559 1.00 0.00 C ATOM 672 C ALA A 46 9.857 -0.861 -4.909 1.00 0.00 C ATOM 673 O ALA A 46 10.213 -1.493 -5.903 1.00 0.00 O ATOM 674 CB ALA A 46 9.764 -3.086 -3.682 1.00 0.00 C ATOM 0 H ALA A 46 8.455 -1.023 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 46 10.526 -1.249 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.717 -3.374 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.674 -3.535 -2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.949 -3.436 -4.315 1.00 0.00 H new ATOM 680 N GLY A 47 9.588 0.437 -4.903 1.00 0.00 N ATOM 681 CA GLY A 47 9.699 1.230 -6.115 1.00 0.00 C ATOM 682 C GLY A 47 9.078 0.500 -7.307 1.00 0.00 C ATOM 683 O GLY A 47 9.776 0.154 -8.259 1.00 0.00 O ATOM 0 H GLY A 47 9.293 0.959 -4.078 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.202 2.190 -5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.748 1.442 -6.320 1.00 0.00 H new ATOM 687 N LYS A 48 7.773 0.286 -7.216 1.00 0.00 N ATOM 688 CA LYS A 48 7.051 -0.397 -8.275 1.00 0.00 C ATOM 689 C LYS A 48 5.569 -0.022 -8.199 1.00 0.00 C ATOM 690 O LYS A 48 4.954 -0.120 -7.139 1.00 0.00 O ATOM 691 CB LYS A 48 7.308 -1.904 -8.214 1.00 0.00 C ATOM 692 CG LYS A 48 6.172 -2.625 -7.486 1.00 0.00 C ATOM 693 CD LYS A 48 6.381 -4.140 -7.508 1.00 0.00 C ATOM 694 CE LYS A 48 7.071 -4.619 -6.229 1.00 0.00 C ATOM 695 NZ LYS A 48 6.101 -4.696 -5.114 1.00 0.00 N ATOM 0 H LYS A 48 7.198 0.574 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 48 7.413 -0.075 -9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.407 -2.301 -9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.251 -2.095 -7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.118 -2.277 -6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.220 -2.379 -7.956 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.419 -4.641 -7.616 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.983 -4.415 -8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.520 -5.598 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.880 -3.937 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.513 -4.260 -4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.231 -4.190 -5.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.876 -5.692 -4.917 1.00 0.00 H new ATOM 705 N GLN A 49 5.039 0.399 -9.339 1.00 0.00 N ATOM 706 CA GLN A 49 3.642 0.788 -9.415 1.00 0.00 C ATOM 707 C GLN A 49 2.754 -0.299 -8.805 1.00 0.00 C ATOM 708 O GLN A 49 2.981 -1.487 -9.027 1.00 0.00 O ATOM 709 CB GLN A 49 3.233 1.084 -10.860 1.00 0.00 C ATOM 710 CG GLN A 49 2.076 2.084 -10.908 1.00 0.00 C ATOM 711 CD GLN A 49 2.322 3.156 -11.971 1.00 0.00 C ATOM 712 OE1 GLN A 49 2.606 2.872 -13.122 1.00 0.00 O ATOM 713 NE2 GLN A 49 2.198 4.402 -11.521 1.00 0.00 N ATOM 0 H GLN A 49 5.553 0.479 -10.217 1.00 0.00 H new ATOM 0 HA GLN A 49 3.508 1.704 -8.839 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.086 1.483 -11.409 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.939 0.159 -11.356 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.146 1.559 -11.124 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.957 2.555 -9.932 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.958 4.570 -10.544 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.343 5.189 -12.153 1.00 0.00 H new ATOM 720 N LEU A 50 1.760 0.147 -8.051 1.00 0.00 N ATOM 721 CA LEU A 50 0.837 -0.773 -7.409 1.00 0.00 C ATOM 722 C LEU A 50 -0.518 -0.705 -8.115 1.00 0.00 C ATOM 723 O LEU A 50 -0.732 0.148 -8.974 1.00 0.00 O ATOM 724 CB LEU A 50 0.761 -0.494 -5.906 1.00 0.00 C ATOM 725 CG LEU A 50 1.593 -1.415 -5.011 1.00 0.00 C ATOM 726 CD1 LEU A 50 2.871 -1.864 -5.722 1.00 0.00 C ATOM 727 CD2 LEU A 50 1.890 -0.749 -3.665 1.00 0.00 C ATOM 0 H LEU A 50 1.574 1.133 -7.870 1.00 0.00 H new ATOM 0 HA LEU A 50 1.195 -1.798 -7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.078 0.534 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.282 -0.563 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 50 1.008 -2.311 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.443 -2.517 -5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.610 -2.404 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.471 -0.991 -5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.482 -1.424 -3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.446 0.174 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.953 -0.521 -3.157 1.00 0.00 H new ATOM 738 N GLU A 51 -1.398 -1.616 -7.727 1.00 0.00 N ATOM 739 CA GLU A 51 -2.727 -1.671 -8.313 1.00 0.00 C ATOM 740 C GLU A 51 -3.631 -2.596 -7.494 1.00 0.00 C ATOM 741 O GLU A 51 -3.145 -3.486 -6.798 1.00 0.00 O ATOM 742 CB GLU A 51 -2.664 -2.118 -9.774 1.00 0.00 C ATOM 743 CG GLU A 51 -2.506 -0.917 -10.709 1.00 0.00 C ATOM 744 CD GLU A 51 -3.173 -1.182 -12.060 1.00 0.00 C ATOM 745 OE1 GLU A 51 -4.416 -1.312 -12.064 1.00 0.00 O ATOM 746 OE2 GLU A 51 -2.425 -1.248 -13.059 1.00 0.00 O ATOM 0 H GLU A 51 -1.217 -2.322 -7.014 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.153 -0.668 -8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.828 -2.804 -9.912 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.571 -2.666 -10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.947 -0.033 -10.249 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.447 -0.704 -10.858 1.00 0.00 H new ATOM 751 N ASP A 52 -4.928 -2.354 -7.606 1.00 0.00 N ATOM 752 CA ASP A 52 -5.903 -3.154 -6.885 1.00 0.00 C ATOM 753 C ASP A 52 -5.984 -4.544 -7.518 1.00 0.00 C ATOM 754 O ASP A 52 -6.068 -5.547 -6.813 1.00 0.00 O ATOM 755 CB ASP A 52 -7.295 -2.520 -6.954 1.00 0.00 C ATOM 756 CG ASP A 52 -7.675 -1.944 -8.319 1.00 0.00 C ATOM 757 OD1 ASP A 52 -7.241 -0.806 -8.596 1.00 0.00 O ATOM 758 OD2 ASP A 52 -8.392 -2.655 -9.056 1.00 0.00 O ATOM 0 H ASP A 52 -5.327 -1.615 -8.185 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.586 -3.215 -5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.034 -3.271 -6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.353 -1.724 -6.212 1.00 0.00 H new ATOM 762 N GLY A 53 -5.956 -4.558 -8.842 1.00 0.00 N ATOM 763 CA GLY A 53 -6.025 -5.809 -9.579 1.00 0.00 C ATOM 764 C GLY A 53 -5.086 -6.855 -8.973 1.00 0.00 C ATOM 765 O GLY A 53 -5.331 -8.055 -9.089 1.00 0.00 O ATOM 0 H GLY A 53 -5.886 -3.723 -9.424 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.048 -6.185 -9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.758 -5.636 -10.622 1.00 0.00 H new ATOM 769 N ARG A 54 -4.033 -6.361 -8.339 1.00 0.00 N ATOM 770 CA ARG A 54 -3.057 -7.238 -7.715 1.00 0.00 C ATOM 771 C ARG A 54 -3.356 -7.388 -6.222 1.00 0.00 C ATOM 772 O ARG A 54 -4.398 -6.938 -5.746 1.00 0.00 O ATOM 773 CB ARG A 54 -1.637 -6.697 -7.892 1.00 0.00 C ATOM 774 CG ARG A 54 -1.011 -7.212 -9.188 1.00 0.00 C ATOM 775 CD ARG A 54 -0.817 -8.730 -9.139 1.00 0.00 C ATOM 776 NE ARG A 54 -1.821 -9.396 -9.999 1.00 0.00 N ATOM 777 CZ ARG A 54 -1.660 -10.612 -10.536 1.00 0.00 C ATOM 778 NH1 ARG A 54 -0.535 -11.303 -10.306 1.00 0.00 N ATOM 779 NH2 ARG A 54 -2.624 -11.138 -11.305 1.00 0.00 N ATOM 0 H ARG A 54 -3.834 -5.365 -8.244 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.126 -8.210 -8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.658 -5.607 -7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.022 -6.996 -7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.648 -6.950 -10.033 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.050 -6.724 -9.351 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.188 -8.988 -9.473 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.913 -9.084 -8.113 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.689 -8.898 -10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.199 -10.903 -9.722 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.413 -12.229 -10.715 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.480 -10.612 -11.481 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.501 -12.064 -11.714 1.00 0.00 H new ATOM 790 N THR A 55 -2.425 -8.021 -5.524 1.00 0.00 N ATOM 791 CA THR A 55 -2.577 -8.236 -4.095 1.00 0.00 C ATOM 792 C THR A 55 -1.218 -8.148 -3.397 1.00 0.00 C ATOM 793 O THR A 55 -0.178 -8.315 -4.031 1.00 0.00 O ATOM 794 CB THR A 55 -3.280 -9.578 -3.891 1.00 0.00 C ATOM 795 OG1 THR A 55 -3.119 -10.248 -5.138 1.00 0.00 O ATOM 796 CG2 THR A 55 -4.796 -9.429 -3.742 1.00 0.00 C ATOM 0 H THR A 55 -1.562 -8.392 -5.922 1.00 0.00 H new ATOM 0 HA THR A 55 -3.192 -7.460 -3.640 1.00 0.00 H new ATOM 0 HB THR A 55 -2.874 -10.068 -3.006 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.545 -11.129 -5.093 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.246 -10.412 -3.600 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.017 -8.800 -2.879 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.206 -8.969 -4.641 1.00 0.00 H new ATOM 804 N LEU A 56 -1.273 -7.887 -2.098 1.00 0.00 N ATOM 805 CA LEU A 56 -0.059 -7.776 -1.306 1.00 0.00 C ATOM 806 C LEU A 56 0.778 -9.044 -1.482 1.00 0.00 C ATOM 807 O LEU A 56 1.936 -8.977 -1.891 1.00 0.00 O ATOM 808 CB LEU A 56 -0.399 -7.460 0.151 1.00 0.00 C ATOM 809 CG LEU A 56 -1.604 -6.543 0.377 1.00 0.00 C ATOM 810 CD1 LEU A 56 -1.661 -6.059 1.826 1.00 0.00 C ATOM 811 CD2 LEU A 56 -1.600 -5.380 -0.617 1.00 0.00 C ATOM 0 H LEU A 56 -2.138 -7.749 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 56 0.550 -6.942 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.580 -8.400 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.474 -7.001 0.615 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.511 -7.119 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.526 -5.410 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.745 -6.917 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.752 -5.505 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.466 -4.743 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.688 -4.797 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.643 -5.770 -1.634 1.00 0.00 H new ATOM 822 N SER A 57 0.158 -10.172 -1.163 1.00 0.00 N ATOM 823 CA SER A 57 0.832 -11.454 -1.280 1.00 0.00 C ATOM 824 C SER A 57 1.286 -11.676 -2.725 1.00 0.00 C ATOM 825 O SER A 57 2.122 -12.539 -2.990 1.00 0.00 O ATOM 826 CB SER A 57 -0.079 -12.598 -0.829 1.00 0.00 C ATOM 827 OG SER A 57 0.567 -13.865 -0.923 1.00 0.00 O ATOM 0 H SER A 57 -0.803 -10.224 -0.824 1.00 0.00 H new ATOM 0 HA SER A 57 1.706 -11.442 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.393 -12.427 0.201 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.981 -12.605 -1.440 1.00 0.00 H new ATOM 0 HG SER A 57 1.303 -13.810 -1.568 1.00 0.00 H new ATOM 832 N ASP A 58 0.715 -10.884 -3.620 1.00 0.00 N ATOM 833 CA ASP A 58 1.050 -10.984 -5.030 1.00 0.00 C ATOM 834 C ASP A 58 2.214 -10.042 -5.340 1.00 0.00 C ATOM 835 O ASP A 58 3.094 -10.375 -6.133 1.00 0.00 O ATOM 836 CB ASP A 58 -0.135 -10.577 -5.908 1.00 0.00 C ATOM 837 CG ASP A 58 -0.326 -11.424 -7.168 1.00 0.00 C ATOM 838 OD1 ASP A 58 0.544 -11.320 -8.060 1.00 0.00 O ATOM 839 OD2 ASP A 58 -1.339 -12.156 -7.212 1.00 0.00 O ATOM 0 H ASP A 58 0.022 -10.170 -3.396 1.00 0.00 H new ATOM 0 HA ASP A 58 1.316 -12.020 -5.241 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.045 -10.630 -5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.008 -9.536 -6.204 1.00 0.00 H new ATOM 843 N TYR A 59 2.182 -8.882 -4.700 1.00 0.00 N ATOM 844 CA TYR A 59 3.224 -7.888 -4.897 1.00 0.00 C ATOM 845 C TYR A 59 4.452 -8.204 -4.042 1.00 0.00 C ATOM 846 O TYR A 59 5.396 -7.417 -3.991 1.00 0.00 O ATOM 847 CB TYR A 59 2.627 -6.555 -4.442 1.00 0.00 C ATOM 848 CG TYR A 59 1.873 -5.804 -5.541 1.00 0.00 C ATOM 849 CD1 TYR A 59 2.413 -5.707 -6.807 1.00 0.00 C ATOM 850 CD2 TYR A 59 0.651 -5.222 -5.265 1.00 0.00 C ATOM 851 CE1 TYR A 59 1.703 -4.999 -7.840 1.00 0.00 C ATOM 852 CE2 TYR A 59 -0.059 -4.514 -6.298 1.00 0.00 C ATOM 853 CZ TYR A 59 0.502 -4.438 -7.535 1.00 0.00 C ATOM 854 OH TYR A 59 -0.168 -3.769 -8.511 1.00 0.00 O ATOM 0 H TYR A 59 1.450 -8.608 -4.044 1.00 0.00 H new ATOM 0 HA TYR A 59 3.543 -7.868 -5.939 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.948 -6.738 -3.609 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.428 -5.919 -4.066 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.368 -6.162 -7.023 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.228 -5.298 -4.274 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.115 -4.915 -8.835 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.015 -4.054 -6.096 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.358 -4.379 -9.254 1.00 0.00 H new ATOM 863 N ASN A 60 4.398 -9.355 -3.389 1.00 0.00 N ATOM 864 CA ASN A 60 5.495 -9.784 -2.537 1.00 0.00 C ATOM 865 C ASN A 60 5.398 -9.067 -1.189 1.00 0.00 C ATOM 866 O ASN A 60 6.227 -9.282 -0.306 1.00 0.00 O ATOM 867 CB ASN A 60 6.847 -9.435 -3.162 1.00 0.00 C ATOM 868 CG ASN A 60 7.516 -8.282 -2.411 1.00 0.00 C ATOM 869 OD1 ASN A 60 8.297 -8.670 -1.408 1.00 0.00 O flip ATOM 870 ND2 ASN A 60 7.336 -7.116 -2.723 1.00 0.00 N flip ATOM 0 H ASN A 60 3.612 -10.004 -3.432 1.00 0.00 H new ATOM 0 HA ASN A 60 5.423 -10.865 -2.413 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.496 -10.310 -3.145 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.708 -9.161 -4.208 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.723 -6.886 -3.505 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.799 -6.371 -2.202 1.00 0.00 H new ATOM 876 N ILE A 61 4.378 -8.229 -1.072 1.00 0.00 N ATOM 877 CA ILE A 61 4.163 -7.479 0.153 1.00 0.00 C ATOM 878 C ILE A 61 4.027 -8.454 1.326 1.00 0.00 C ATOM 879 O ILE A 61 3.415 -9.512 1.191 1.00 0.00 O ATOM 880 CB ILE A 61 2.969 -6.534 -0.001 1.00 0.00 C ATOM 881 CG1 ILE A 61 3.297 -5.389 -0.962 1.00 0.00 C ATOM 882 CG2 ILE A 61 2.497 -6.021 1.361 1.00 0.00 C ATOM 883 CD1 ILE A 61 2.020 -4.717 -1.470 1.00 0.00 C ATOM 0 H ILE A 61 3.692 -8.053 -1.806 1.00 0.00 H new ATOM 0 HA ILE A 61 5.021 -6.841 0.365 1.00 0.00 H new ATOM 0 HB ILE A 61 2.143 -7.095 -0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.923 -4.653 -0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.872 -5.771 -1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.648 -5.352 1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.197 -6.864 1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.309 -5.481 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.281 -3.907 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.408 -5.450 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.460 -4.315 -0.626 1.00 0.00 H new ATOM 894 N GLN A 62 4.610 -8.062 2.449 1.00 0.00 N ATOM 895 CA GLN A 62 4.562 -8.888 3.644 1.00 0.00 C ATOM 896 C GLN A 62 4.384 -8.013 4.887 1.00 0.00 C ATOM 897 O GLN A 62 4.070 -6.829 4.777 1.00 0.00 O ATOM 898 CB GLN A 62 5.815 -9.756 3.760 1.00 0.00 C ATOM 899 CG GLN A 62 7.058 -8.897 3.998 1.00 0.00 C ATOM 900 CD GLN A 62 8.272 -9.767 4.330 1.00 0.00 C ATOM 901 OE1 GLN A 62 8.316 -10.953 4.044 1.00 0.00 O ATOM 902 NE2 GLN A 62 9.253 -9.115 4.949 1.00 0.00 N ATOM 0 H GLN A 62 5.118 -7.184 2.557 1.00 0.00 H new ATOM 0 HA GLN A 62 3.703 -9.555 3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.696 -10.465 4.580 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.942 -10.341 2.849 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.266 -8.299 3.111 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.872 -8.200 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.152 -8.122 5.159 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.106 -9.608 5.213 1.00 0.00 H new ATOM 909 N LYS A 63 4.592 -8.630 6.041 1.00 0.00 N ATOM 910 CA LYS A 63 4.458 -7.923 7.303 1.00 0.00 C ATOM 911 C LYS A 63 5.631 -6.953 7.466 1.00 0.00 C ATOM 912 O LYS A 63 6.777 -7.308 7.194 1.00 0.00 O ATOM 913 CB LYS A 63 4.314 -8.913 8.459 1.00 0.00 C ATOM 914 CG LYS A 63 5.579 -9.760 8.617 1.00 0.00 C ATOM 915 CD LYS A 63 5.268 -11.248 8.447 1.00 0.00 C ATOM 916 CE LYS A 63 6.261 -12.109 9.231 1.00 0.00 C ATOM 917 NZ LYS A 63 5.694 -13.452 9.486 1.00 0.00 N ATOM 0 H LYS A 63 4.852 -9.612 6.128 1.00 0.00 H new ATOM 0 HA LYS A 63 3.546 -7.326 7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.117 -8.371 9.384 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.457 -9.563 8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.321 -9.453 7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.017 -9.586 9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.254 -11.453 8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.307 -11.513 7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.192 -12.201 8.672 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.504 -11.625 10.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.381 -14.023 10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.818 -13.360 10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.485 -13.918 8.580 1.00 0.00 H new ATOM 927 N GLU A 64 5.303 -5.748 7.908 1.00 0.00 N ATOM 928 CA GLU A 64 6.315 -4.725 8.111 1.00 0.00 C ATOM 929 C GLU A 64 6.847 -4.230 6.764 1.00 0.00 C ATOM 930 O GLU A 64 8.053 -4.067 6.591 1.00 0.00 O ATOM 931 CB GLU A 64 7.453 -5.245 8.992 1.00 0.00 C ATOM 932 CG GLU A 64 6.910 -5.853 10.287 1.00 0.00 C ATOM 933 CD GLU A 64 7.764 -7.040 10.735 1.00 0.00 C ATOM 934 OE1 GLU A 64 7.573 -8.129 10.154 1.00 0.00 O ATOM 935 OE2 GLU A 64 8.590 -6.831 11.651 1.00 0.00 O ATOM 0 H GLU A 64 4.351 -5.457 8.131 1.00 0.00 H new ATOM 0 HA GLU A 64 5.854 -3.884 8.629 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.026 -5.995 8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.137 -4.430 9.228 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.895 -5.095 11.070 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.880 -6.177 10.137 1.00 0.00 H new ATOM 940 N SER A 65 5.920 -4.007 5.845 1.00 0.00 N ATOM 941 CA SER A 65 6.280 -3.535 4.518 1.00 0.00 C ATOM 942 C SER A 65 5.851 -2.075 4.348 1.00 0.00 C ATOM 943 O SER A 65 4.668 -1.789 4.169 1.00 0.00 O ATOM 944 CB SER A 65 5.644 -4.404 3.432 1.00 0.00 C ATOM 945 OG SER A 65 5.914 -5.789 3.631 1.00 0.00 O ATOM 0 H SER A 65 4.920 -4.144 5.992 1.00 0.00 H new ATOM 0 HA SER A 65 7.363 -3.605 4.413 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.566 -4.242 3.423 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.020 -4.098 2.456 1.00 0.00 H new ATOM 0 HG SER A 65 5.481 -6.091 4.457 1.00 0.00 H new ATOM 950 N THR A 66 6.835 -1.191 4.411 1.00 0.00 N ATOM 951 CA THR A 66 6.575 0.231 4.266 1.00 0.00 C ATOM 952 C THR A 66 6.396 0.592 2.790 1.00 0.00 C ATOM 953 O THR A 66 7.273 0.324 1.971 1.00 0.00 O ATOM 954 CB THR A 66 7.715 0.992 4.944 1.00 0.00 C ATOM 955 OG1 THR A 66 7.729 0.483 6.275 1.00 0.00 O ATOM 956 CG2 THR A 66 7.405 2.480 5.117 1.00 0.00 C ATOM 0 H THR A 66 7.815 -1.432 4.561 1.00 0.00 H new ATOM 0 HA THR A 66 5.642 0.514 4.753 1.00 0.00 H new ATOM 0 HB THR A 66 8.627 0.877 4.357 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.441 0.922 6.786 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.247 2.973 5.603 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.235 2.932 4.140 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.512 2.597 5.731 1.00 0.00 H new ATOM 964 N LEU A 67 5.255 1.197 2.496 1.00 0.00 N ATOM 965 CA LEU A 67 4.950 1.599 1.133 1.00 0.00 C ATOM 966 C LEU A 67 5.501 3.004 0.885 1.00 0.00 C ATOM 967 O LEU A 67 6.108 3.603 1.772 1.00 0.00 O ATOM 968 CB LEU A 67 3.451 1.468 0.859 1.00 0.00 C ATOM 969 CG LEU A 67 2.889 0.045 0.861 1.00 0.00 C ATOM 970 CD1 LEU A 67 2.896 -0.548 -0.550 1.00 0.00 C ATOM 971 CD2 LEU A 67 3.640 -0.839 1.859 1.00 0.00 C ATOM 0 H LEU A 67 4.530 1.419 3.178 1.00 0.00 H new ATOM 0 HA LEU A 67 5.439 0.935 0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.913 2.050 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.238 1.920 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 67 1.850 0.087 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.492 -1.560 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.283 0.069 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.918 -0.576 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.221 -1.845 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.695 -0.880 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.540 -0.422 2.861 1.00 0.00 H new ATOM 982 N HIS A 68 5.269 3.491 -0.326 1.00 0.00 N ATOM 983 CA HIS A 68 5.735 4.815 -0.702 1.00 0.00 C ATOM 984 C HIS A 68 4.551 5.661 -1.174 1.00 0.00 C ATOM 985 O HIS A 68 4.087 5.511 -2.303 1.00 0.00 O ATOM 986 CB HIS A 68 6.851 4.723 -1.745 1.00 0.00 C ATOM 987 CG HIS A 68 8.150 4.170 -1.208 1.00 0.00 C ATOM 988 ND1 HIS A 68 8.396 3.099 -0.400 1.00 0.00 N flip ATOM 989 CD2 HIS A 68 9.380 4.736 -1.494 1.00 0.00 C flip ATOM 990 CE1 HIS A 68 9.707 3.015 -0.204 1.00 0.00 C flip ATOM 991 NE2 HIS A 68 10.318 4.029 -0.881 1.00 0.00 N flip ATOM 0 H HIS A 68 4.765 2.992 -1.059 1.00 0.00 H new ATOM 0 HA HIS A 68 6.169 5.311 0.166 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.513 4.094 -2.569 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.033 5.716 -2.156 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.547 5.606 -2.112 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.207 2.267 0.393 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.321 4.211 -0.910 1.00 0.00 H new ATOM 998 N LEU A 69 4.095 6.531 -0.285 1.00 0.00 N ATOM 999 CA LEU A 69 2.973 7.401 -0.597 1.00 0.00 C ATOM 1000 C LEU A 69 3.492 8.677 -1.261 1.00 0.00 C ATOM 1001 O LEU A 69 4.151 9.492 -0.616 1.00 0.00 O ATOM 1002 CB LEU A 69 2.130 7.656 0.655 1.00 0.00 C ATOM 1003 CG LEU A 69 1.203 8.872 0.601 1.00 0.00 C ATOM 1004 CD1 LEU A 69 0.218 8.761 -0.565 1.00 0.00 C ATOM 1005 CD2 LEU A 69 0.489 9.076 1.939 1.00 0.00 C ATOM 0 H LEU A 69 4.482 6.652 0.651 1.00 0.00 H new ATOM 0 HA LEU A 69 2.304 6.921 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.525 6.770 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.803 7.774 1.504 1.00 0.00 H new ATOM 0 HG LEU A 69 1.812 9.758 0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.429 9.638 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.770 8.701 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.390 7.864 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.164 9.947 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.106 8.193 2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.227 9.234 2.725 1.00 0.00 H new ATOM 1016 N VAL A 70 3.176 8.812 -2.540 1.00 0.00 N ATOM 1017 CA VAL A 70 3.603 9.976 -3.298 1.00 0.00 C ATOM 1018 C VAL A 70 2.379 10.646 -3.925 1.00 0.00 C ATOM 1019 O VAL A 70 1.252 10.192 -3.735 1.00 0.00 O ATOM 1020 CB VAL A 70 4.657 9.571 -4.329 1.00 0.00 C ATOM 1021 CG1 VAL A 70 5.968 9.173 -3.647 1.00 0.00 C ATOM 1022 CG2 VAL A 70 4.142 8.443 -5.226 1.00 0.00 C ATOM 0 H VAL A 70 2.629 8.134 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 70 4.075 10.708 -2.642 1.00 0.00 H new ATOM 0 HB VAL A 70 4.857 10.437 -4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.700 8.890 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.349 10.016 -3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.790 8.329 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.911 8.174 -5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.900 7.574 -4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.248 8.777 -5.753 1.00 0.00 H new ATOM 1032 N LEU A 71 2.643 11.717 -4.660 1.00 0.00 N ATOM 1033 CA LEU A 71 1.577 12.454 -5.318 1.00 0.00 C ATOM 1034 C LEU A 71 1.440 11.968 -6.761 1.00 0.00 C ATOM 1035 O LEU A 71 2.033 10.958 -7.138 1.00 0.00 O ATOM 1036 CB LEU A 71 1.816 13.961 -5.197 1.00 0.00 C ATOM 1037 CG LEU A 71 0.661 14.778 -4.612 1.00 0.00 C ATOM 1038 CD1 LEU A 71 0.242 14.234 -3.245 1.00 0.00 C ATOM 1039 CD2 LEU A 71 1.017 16.265 -4.553 1.00 0.00 C ATOM 0 H LEU A 71 3.579 12.092 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 71 0.623 12.264 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.698 14.120 -4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.047 14.353 -6.187 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.199 14.679 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.580 14.832 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.081 13.198 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.088 14.284 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.180 16.823 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.897 16.404 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.228 16.629 -5.559 1.00 0.00 H new ATOM 1050 N ARG A 72 0.654 12.707 -7.529 1.00 0.00 N ATOM 1051 CA ARG A 72 0.431 12.363 -8.923 1.00 0.00 C ATOM 1052 C ARG A 72 0.323 13.631 -9.772 1.00 0.00 C ATOM 1053 O ARG A 72 0.005 14.702 -9.257 1.00 0.00 O ATOM 1054 CB ARG A 72 -0.845 11.536 -9.089 1.00 0.00 C ATOM 1055 CG ARG A 72 -0.587 10.294 -9.945 1.00 0.00 C ATOM 1056 CD ARG A 72 -1.902 9.631 -10.359 1.00 0.00 C ATOM 1057 NE ARG A 72 -1.742 8.159 -10.375 1.00 0.00 N ATOM 1058 CZ ARG A 72 -2.655 7.310 -10.868 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -3.797 7.781 -11.387 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -2.425 5.990 -10.841 1.00 0.00 N ATOM 0 H ARG A 72 0.163 13.543 -7.212 1.00 0.00 H new ATOM 0 HA ARG A 72 1.281 11.769 -9.258 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.218 11.236 -8.110 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.620 12.146 -9.552 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.020 10.572 -10.834 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.023 9.583 -9.387 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.695 9.912 -9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.202 9.984 -11.346 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.884 7.767 -9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.972 8.786 -11.407 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.491 7.135 -11.762 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.556 5.632 -10.446 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.119 5.344 -11.216 1.00 0.00 H new ATOM 1071 N LEU A 73 0.594 13.468 -11.059 1.00 0.00 N ATOM 1072 CA LEU A 73 0.532 14.587 -11.984 1.00 0.00 C ATOM 1073 C LEU A 73 -0.871 15.196 -11.946 1.00 0.00 C ATOM 1074 O LEU A 73 -1.732 14.735 -11.199 1.00 0.00 O ATOM 1075 CB LEU A 73 0.976 14.151 -13.382 1.00 0.00 C ATOM 1076 CG LEU A 73 0.313 12.888 -13.933 1.00 0.00 C ATOM 1077 CD1 LEU A 73 1.129 11.642 -13.583 1.00 0.00 C ATOM 1078 CD2 LEU A 73 -1.136 12.776 -13.455 1.00 0.00 C ATOM 0 H LEU A 73 0.857 12.578 -11.483 1.00 0.00 H new ATOM 0 HA LEU A 73 1.228 15.370 -11.683 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.783 14.970 -14.075 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.055 13.994 -13.366 1.00 0.00 H new ATOM 0 HG LEU A 73 0.289 12.962 -15.020 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.635 10.758 -13.987 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.127 11.728 -14.013 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.207 11.551 -12.500 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.584 11.869 -13.861 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.158 12.735 -12.366 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.700 13.644 -13.797 1.00 0.00 H new ATOM 1089 N ARG A 74 -1.058 16.222 -12.764 1.00 0.00 N ATOM 1090 CA ARG A 74 -2.341 16.900 -12.834 1.00 0.00 C ATOM 1091 C ARG A 74 -3.483 15.888 -12.712 1.00 0.00 C ATOM 1092 O ARG A 74 -3.425 14.810 -13.300 1.00 0.00 O ATOM 1093 CB ARG A 74 -2.488 17.669 -14.148 1.00 0.00 C ATOM 1094 CG ARG A 74 -2.344 16.732 -15.350 1.00 0.00 C ATOM 1095 CD ARG A 74 -1.209 17.190 -16.269 1.00 0.00 C ATOM 1096 NE ARG A 74 -1.767 17.802 -17.495 1.00 0.00 N ATOM 1097 CZ ARG A 74 -1.039 18.468 -18.401 1.00 0.00 C ATOM 1098 NH1 ARG A 74 0.281 18.612 -18.224 1.00 0.00 N ATOM 1099 NH2 ARG A 74 -1.630 18.990 -19.485 1.00 0.00 N ATOM 0 H ARG A 74 -0.342 16.600 -13.384 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.387 17.608 -12.006 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.461 18.160 -14.179 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.733 18.453 -14.201 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.149 15.717 -15.003 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.280 16.704 -15.908 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.577 17.909 -15.749 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.577 16.341 -16.531 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.769 17.711 -17.661 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.731 18.215 -17.400 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.836 19.119 -18.914 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.635 18.880 -19.621 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.075 19.497 -20.174 1.00 0.00 H new ATOM 1110 N GLY A 75 -4.491 16.272 -11.944 1.00 0.00 N ATOM 1111 CA GLY A 75 -5.644 15.412 -11.737 1.00 0.00 C ATOM 1112 C GLY A 75 -6.888 16.234 -11.398 1.00 0.00 C ATOM 1113 O GLY A 75 -7.498 16.038 -10.347 1.00 0.00 O ATOM 0 H GLY A 75 -4.534 17.167 -11.457 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.828 14.822 -12.635 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.437 14.709 -10.930 1.00 0.00 H new ATOM 1117 N GLY A 76 -7.227 17.138 -12.306 1.00 0.00 N ATOM 1118 CA GLY A 76 -8.388 17.991 -12.115 1.00 0.00 C ATOM 1119 C GLY A 76 -8.679 18.810 -13.373 1.00 0.00 C ATOM 1120 O GLY A 76 -9.838 19.058 -13.703 1.00 0.00 O ATOM 0 H GLY A 76 -6.718 17.298 -13.175 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.256 17.380 -11.866 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.217 18.661 -11.272 1.00 0.00 H new TER 1124 GLY A 76