USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 573 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= 1 K(o=1,f=-5.8!) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.193 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.237 (180deg=-0.55) USER MOD Single : A 1 MET N :NH3+ 126:sc= 1.28 (180deg=0.527) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= -0.0358 (180deg=-0.195) USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= 1.22 (180deg=0.761) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.714 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00108 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 0.886 (180deg=0.864) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.17) USER MOD Single : A 31 GLN : amide:sc= -0.0533 X(o=-0.053,f=-0.048) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 41 GLN : amide:sc= 0.86 K(o=0.86,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00984) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 55 THR OG1 : rot -75:sc= 1.19 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.996 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.0714 X(o=0.071,f=-0.32) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= 1.22 (180deg=0.751) USER MOD Single : A 65 SER OG : rot 85:sc= 1.13 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.343 43.335 -11.937 1.00 0.00 N ATOM 2 CA MET A 1 -5.575 44.258 -10.847 1.00 0.00 C ATOM 3 C MET A 1 -4.283 44.485 -10.015 1.00 0.00 C ATOM 4 O MET A 1 -3.456 43.609 -9.954 1.00 0.00 O ATOM 5 CB MET A 1 -6.761 43.724 -9.982 1.00 0.00 C ATOM 6 CG MET A 1 -6.377 42.620 -8.934 1.00 0.00 C ATOM 7 SD MET A 1 -5.734 41.023 -9.571 1.00 0.00 S ATOM 8 CE MET A 1 -5.365 40.317 -7.935 1.00 0.00 C ATOM 0 H1 MET A 1 -6.035 42.560 -11.889 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.446 43.835 -12.843 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.381 42.946 -11.863 1.00 0.00 H new ATOM 0 HA MET A 1 -5.848 45.237 -11.242 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.212 44.564 -9.453 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.524 43.321 -10.648 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.627 43.040 -8.264 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.260 42.409 -8.331 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.206 39.243 -8.030 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.465 40.783 -7.532 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.202 40.502 -7.262 1.00 0.00 H new ATOM 18 N GLN A 2 -4.211 45.584 -9.274 1.00 0.00 N ATOM 19 CA GLN A 2 -3.095 45.845 -8.347 1.00 0.00 C ATOM 20 C GLN A 2 -3.482 45.352 -6.942 1.00 0.00 C ATOM 21 O GLN A 2 -4.648 45.426 -6.522 1.00 0.00 O ATOM 22 CB GLN A 2 -2.707 47.338 -8.377 1.00 0.00 C ATOM 23 CG GLN A 2 -3.805 48.291 -7.654 1.00 0.00 C ATOM 24 CD GLN A 2 -3.425 49.753 -7.923 1.00 0.00 C ATOM 25 OE1 GLN A 2 -2.946 50.442 -6.992 1.00 0.00 O ATOM 26 NE2 GLN A 2 -3.749 50.325 -9.123 1.00 0.00 N ATOM 0 H GLN A 2 -4.916 46.321 -9.292 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.207 45.294 -8.658 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.742 47.467 -7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.584 47.655 -9.412 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.803 48.081 -8.039 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.830 48.096 -6.582 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.138 49.753 -9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -3.601 51.324 -9.268 1.00 0.00 H new ATOM 35 N ILE A 3 -2.520 44.688 -6.267 1.00 0.00 N ATOM 36 CA ILE A 3 -2.564 44.388 -4.827 1.00 0.00 C ATOM 37 C ILE A 3 -1.327 45.044 -4.160 1.00 0.00 C ATOM 38 O ILE A 3 -0.373 45.444 -4.799 1.00 0.00 O ATOM 39 CB ILE A 3 -2.560 42.862 -4.503 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.428 42.105 -5.292 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.884 42.241 -5.006 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.103 42.005 -4.564 1.00 0.00 C ATOM 0 H ILE A 3 -1.675 44.340 -6.721 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.503 44.785 -4.442 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.415 42.763 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.777 41.098 -5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.266 42.612 -6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.892 41.174 -4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.725 42.722 -4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.969 42.389 -6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.614 41.468 -5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.275 43.006 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.243 41.469 -3.625 1.00 0.00 H new ATOM 54 N PHE A 4 -1.367 45.204 -2.826 1.00 0.00 N ATOM 55 CA PHE A 4 -0.289 45.904 -2.096 1.00 0.00 C ATOM 56 C PHE A 4 0.546 44.897 -1.298 1.00 0.00 C ATOM 57 O PHE A 4 0.013 43.956 -0.700 1.00 0.00 O ATOM 58 CB PHE A 4 -0.776 47.095 -1.231 1.00 0.00 C ATOM 59 CG PHE A 4 -1.638 47.993 -2.061 1.00 0.00 C ATOM 60 CD1 PHE A 4 -1.220 48.549 -3.260 1.00 0.00 C ATOM 61 CD2 PHE A 4 -2.925 48.245 -1.582 1.00 0.00 C ATOM 62 CE1 PHE A 4 -2.069 49.444 -3.932 1.00 0.00 C ATOM 63 CE2 PHE A 4 -3.798 49.136 -2.267 1.00 0.00 C ATOM 64 CZ PHE A 4 -3.355 49.716 -3.444 1.00 0.00 C ATOM 0 H PHE A 4 -2.124 44.863 -2.234 1.00 0.00 H new ATOM 0 HA PHE A 4 0.350 46.369 -2.846 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.336 46.729 -0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.078 47.650 -0.843 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.254 48.297 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.263 47.757 -0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.727 49.928 -4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.782 49.354 -1.879 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.005 50.383 -3.990 1.00 0.00 H new ATOM 74 N VAL A 5 1.871 45.132 -1.178 1.00 0.00 N ATOM 75 CA VAL A 5 2.702 44.211 -0.305 1.00 0.00 C ATOM 76 C VAL A 5 3.413 45.023 0.764 1.00 0.00 C ATOM 77 O VAL A 5 4.270 45.803 0.462 1.00 0.00 O ATOM 78 CB VAL A 5 3.677 43.339 -1.113 1.00 0.00 C ATOM 79 CG1 VAL A 5 4.492 42.402 -0.132 1.00 0.00 C ATOM 80 CG2 VAL A 5 2.908 42.452 -2.130 1.00 0.00 C ATOM 0 H VAL A 5 2.380 45.891 -1.631 1.00 0.00 H new ATOM 0 HA VAL A 5 2.024 43.509 0.181 1.00 0.00 H new ATOM 0 HB VAL A 5 4.356 43.997 -1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.182 41.785 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.054 43.014 0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.802 41.760 0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.617 41.843 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.215 41.802 -1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.351 43.087 -2.819 1.00 0.00 H new ATOM 90 N LYS A 6 3.067 44.861 2.017 1.00 0.00 N ATOM 91 CA LYS A 6 3.659 45.751 3.041 1.00 0.00 C ATOM 92 C LYS A 6 4.952 45.091 3.513 1.00 0.00 C ATOM 93 O LYS A 6 4.959 43.914 3.928 1.00 0.00 O ATOM 94 CB LYS A 6 2.623 45.817 4.137 1.00 0.00 C ATOM 95 CG LYS A 6 3.062 46.554 5.397 1.00 0.00 C ATOM 96 CD LYS A 6 3.085 48.121 5.250 1.00 0.00 C ATOM 97 CE LYS A 6 3.360 48.818 6.606 1.00 0.00 C ATOM 98 NZ LYS A 6 2.328 48.507 7.661 1.00 0.00 N ATOM 0 H LYS A 6 2.411 44.161 2.363 1.00 0.00 H new ATOM 0 HA LYS A 6 3.902 46.755 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.730 46.302 3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.339 44.800 4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.392 46.286 6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.058 46.211 5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.852 48.408 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.130 48.464 4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.342 48.515 6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.396 49.896 6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.451 49.152 8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.376 48.629 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.445 47.525 7.982 1.00 0.00 H new ATOM 112 N THR A 7 6.075 45.817 3.435 1.00 0.00 N ATOM 113 CA THR A 7 7.405 45.260 3.767 1.00 0.00 C ATOM 114 C THR A 7 7.712 45.204 5.264 1.00 0.00 C ATOM 115 O THR A 7 6.926 45.684 6.067 1.00 0.00 O ATOM 116 CB THR A 7 8.566 45.954 3.032 1.00 0.00 C ATOM 117 OG1 THR A 7 9.176 47.040 3.645 1.00 0.00 O ATOM 118 CG2 THR A 7 8.213 46.387 1.550 1.00 0.00 C ATOM 0 H THR A 7 6.095 46.795 3.145 1.00 0.00 H new ATOM 0 HA THR A 7 7.332 44.234 3.407 1.00 0.00 H new ATOM 0 HB THR A 7 9.290 45.140 3.054 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.894 47.379 3.070 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.079 46.869 1.096 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.942 45.506 0.968 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.375 47.084 1.564 1.00 0.00 H new ATOM 126 N LEU A 8 8.777 44.459 5.629 1.00 0.00 N ATOM 127 CA LEU A 8 9.248 44.338 7.012 1.00 0.00 C ATOM 128 C LEU A 8 9.826 45.630 7.550 1.00 0.00 C ATOM 129 O LEU A 8 9.535 45.898 8.714 1.00 0.00 O ATOM 130 CB LEU A 8 10.144 43.079 7.014 1.00 0.00 C ATOM 131 CG LEU A 8 10.836 42.839 8.388 1.00 0.00 C ATOM 132 CD1 LEU A 8 9.742 42.451 9.431 1.00 0.00 C ATOM 133 CD2 LEU A 8 11.920 41.709 8.187 1.00 0.00 C ATOM 0 H LEU A 8 9.333 43.924 4.962 1.00 0.00 H new ATOM 0 HA LEU A 8 8.452 44.188 7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.541 42.208 6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.905 43.178 6.240 1.00 0.00 H new ATOM 0 HG LEU A 8 11.340 43.730 8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.209 42.279 10.401 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.017 43.260 9.516 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.235 41.542 9.106 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.425 41.516 9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.434 40.796 7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.651 42.033 7.446 1.00 0.00 H new ATOM 145 N THR A 9 10.514 46.435 6.718 1.00 0.00 N ATOM 146 CA THR A 9 11.079 47.767 7.029 1.00 0.00 C ATOM 147 C THR A 9 9.981 48.830 7.269 1.00 0.00 C ATOM 148 O THR A 9 10.077 49.684 8.132 1.00 0.00 O ATOM 149 CB THR A 9 11.911 48.252 5.796 1.00 0.00 C ATOM 150 OG1 THR A 9 12.586 47.232 5.113 1.00 0.00 O ATOM 151 CG2 THR A 9 13.017 49.243 6.281 1.00 0.00 C ATOM 0 H THR A 9 10.703 46.159 5.754 1.00 0.00 H new ATOM 0 HA THR A 9 11.679 47.663 7.933 1.00 0.00 H new ATOM 0 HB THR A 9 11.183 48.699 5.120 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.079 47.615 4.358 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.600 49.584 5.426 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.550 50.100 6.767 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.673 48.737 6.989 1.00 0.00 H new ATOM 159 N GLY A 10 8.868 48.678 6.586 1.00 0.00 N ATOM 160 CA GLY A 10 7.710 49.556 6.735 1.00 0.00 C ATOM 161 C GLY A 10 7.281 50.189 5.442 1.00 0.00 C ATOM 162 O GLY A 10 6.461 51.104 5.457 1.00 0.00 O ATOM 0 H GLY A 10 8.732 47.935 5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.878 48.984 7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.946 50.339 7.456 1.00 0.00 H new ATOM 166 N LYS A 11 7.868 49.745 4.329 1.00 0.00 N ATOM 167 CA LYS A 11 7.510 50.350 3.058 1.00 0.00 C ATOM 168 C LYS A 11 6.223 49.678 2.567 1.00 0.00 C ATOM 169 O LYS A 11 5.837 48.619 3.113 1.00 0.00 O ATOM 170 CB LYS A 11 8.576 50.201 1.981 1.00 0.00 C ATOM 171 CG LYS A 11 9.951 50.880 2.367 1.00 0.00 C ATOM 172 CD LYS A 11 10.837 50.676 1.131 1.00 0.00 C ATOM 173 CE LYS A 11 12.378 50.799 1.419 1.00 0.00 C ATOM 174 NZ LYS A 11 13.202 50.894 0.168 1.00 0.00 N ATOM 0 H LYS A 11 8.564 49.000 4.285 1.00 0.00 H new ATOM 0 HA LYS A 11 7.390 51.420 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.743 49.141 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.209 50.640 1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.822 51.938 2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.389 50.416 3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.634 49.691 0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.560 51.409 0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.558 51.681 2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.704 49.935 1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.090 51.395 0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.417 49.938 -0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.671 51.415 -0.559 1.00 0.00 H new ATOM 188 N THR A 12 5.581 50.303 1.615 1.00 0.00 N ATOM 189 CA THR A 12 4.394 49.639 0.978 1.00 0.00 C ATOM 190 C THR A 12 4.785 49.412 -0.463 1.00 0.00 C ATOM 191 O THR A 12 5.264 50.357 -1.061 1.00 0.00 O ATOM 192 CB THR A 12 3.053 50.397 1.126 1.00 0.00 C ATOM 193 OG1 THR A 12 2.713 50.431 2.490 1.00 0.00 O ATOM 194 CG2 THR A 12 1.981 49.664 0.288 1.00 0.00 C ATOM 0 H THR A 12 5.817 51.227 1.253 1.00 0.00 H new ATOM 0 HA THR A 12 4.176 48.706 1.497 1.00 0.00 H new ATOM 0 HB THR A 12 3.128 51.422 0.764 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.865 50.910 2.604 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.028 50.185 0.380 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.286 49.648 -0.758 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.872 48.642 0.650 1.00 0.00 H new ATOM 202 N ILE A 13 4.617 48.214 -1.066 1.00 0.00 N ATOM 203 CA ILE A 13 4.905 48.078 -2.506 1.00 0.00 C ATOM 204 C ILE A 13 3.603 47.848 -3.242 1.00 0.00 C ATOM 205 O ILE A 13 2.838 47.017 -2.850 1.00 0.00 O ATOM 206 CB ILE A 13 5.875 46.860 -2.715 1.00 0.00 C ATOM 207 CG1 ILE A 13 7.199 46.977 -1.964 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.049 46.550 -4.208 1.00 0.00 C ATOM 209 CD1 ILE A 13 7.996 48.308 -2.345 1.00 0.00 C ATOM 0 H ILE A 13 4.298 47.364 -0.601 1.00 0.00 H new ATOM 0 HA ILE A 13 5.379 48.981 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 13 5.393 45.998 -2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.008 46.965 -0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.819 46.109 -2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.725 45.703 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.080 46.306 -4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.466 47.421 -4.714 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.930 48.345 -1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.213 48.309 -3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.389 49.179 -2.097 1.00 0.00 H new ATOM 221 N THR A 14 3.411 48.605 -4.336 1.00 0.00 N ATOM 222 CA THR A 14 2.271 48.422 -5.266 1.00 0.00 C ATOM 223 C THR A 14 2.835 47.638 -6.469 1.00 0.00 C ATOM 224 O THR A 14 3.971 47.925 -6.968 1.00 0.00 O ATOM 225 CB THR A 14 1.614 49.767 -5.679 1.00 0.00 C ATOM 226 OG1 THR A 14 1.174 50.466 -4.482 1.00 0.00 O ATOM 227 CG2 THR A 14 0.313 49.433 -6.498 1.00 0.00 C ATOM 0 H THR A 14 4.039 49.362 -4.605 1.00 0.00 H new ATOM 0 HA THR A 14 1.459 47.873 -4.789 1.00 0.00 H new ATOM 0 HB THR A 14 2.323 50.367 -6.249 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.373 50.029 -4.124 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.173 50.360 -6.803 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.578 48.854 -7.383 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.369 48.853 -5.876 1.00 0.00 H new ATOM 235 N LEU A 15 2.106 46.615 -6.924 1.00 0.00 N ATOM 236 CA LEU A 15 2.531 45.931 -8.106 1.00 0.00 C ATOM 237 C LEU A 15 1.275 45.404 -8.761 1.00 0.00 C ATOM 238 O LEU A 15 0.226 45.224 -8.109 1.00 0.00 O ATOM 239 CB LEU A 15 3.548 44.774 -7.772 1.00 0.00 C ATOM 240 CG LEU A 15 3.033 43.699 -6.762 1.00 0.00 C ATOM 241 CD1 LEU A 15 2.381 42.481 -7.479 1.00 0.00 C ATOM 242 CD2 LEU A 15 4.209 43.132 -5.844 1.00 0.00 C ATOM 0 H LEU A 15 1.249 46.265 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 15 3.067 46.602 -8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.821 44.274 -8.701 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.459 45.219 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 15 2.291 44.214 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.039 41.761 -6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.532 42.820 -8.073 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.115 42.007 -8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.807 42.388 -5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.971 42.672 -6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.653 43.949 -5.275 1.00 0.00 H new ATOM 254 N GLU A 16 1.413 45.168 -10.052 1.00 0.00 N ATOM 255 CA GLU A 16 0.278 44.793 -10.936 1.00 0.00 C ATOM 256 C GLU A 16 0.170 43.245 -11.042 1.00 0.00 C ATOM 257 O GLU A 16 1.181 42.619 -11.225 1.00 0.00 O ATOM 258 CB GLU A 16 0.402 45.374 -12.360 1.00 0.00 C ATOM 259 CG GLU A 16 0.134 46.907 -12.347 1.00 0.00 C ATOM 260 CD GLU A 16 -0.068 47.475 -13.759 1.00 0.00 C ATOM 261 OE1 GLU A 16 0.900 47.521 -14.517 1.00 0.00 O ATOM 262 OE2 GLU A 16 -1.230 47.906 -13.996 1.00 0.00 O ATOM 0 H GLU A 16 2.308 45.226 -10.537 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.616 45.216 -10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.399 45.176 -12.755 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.308 44.880 -13.024 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.751 47.114 -11.745 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.971 47.416 -11.869 1.00 0.00 H new ATOM 269 N VAL A 17 -1.013 42.642 -10.921 1.00 0.00 N ATOM 270 CA VAL A 17 -1.119 41.151 -11.173 1.00 0.00 C ATOM 271 C VAL A 17 -2.414 40.807 -11.825 1.00 0.00 C ATOM 272 O VAL A 17 -3.284 41.638 -11.875 1.00 0.00 O ATOM 273 CB VAL A 17 -0.924 40.270 -9.911 1.00 0.00 C ATOM 274 CG1 VAL A 17 0.614 40.200 -9.600 1.00 0.00 C ATOM 275 CG2 VAL A 17 -1.716 40.928 -8.710 1.00 0.00 C ATOM 0 H VAL A 17 -1.884 43.107 -10.666 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.289 40.923 -11.841 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.303 39.260 -10.066 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.779 39.585 -8.715 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.137 39.761 -10.449 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.995 41.205 -9.419 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.589 40.320 -7.814 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.330 41.931 -8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.775 40.987 -8.961 1.00 0.00 H new ATOM 285 N GLU A 18 -2.464 39.591 -12.363 1.00 0.00 N ATOM 286 CA GLU A 18 -3.663 38.973 -12.882 1.00 0.00 C ATOM 287 C GLU A 18 -4.204 38.014 -11.765 1.00 0.00 C ATOM 288 O GLU A 18 -3.475 37.741 -10.791 1.00 0.00 O ATOM 289 CB GLU A 18 -3.312 38.145 -14.140 1.00 0.00 C ATOM 290 CG GLU A 18 -2.776 39.029 -15.350 1.00 0.00 C ATOM 291 CD GLU A 18 -2.203 38.204 -16.561 1.00 0.00 C ATOM 292 OE1 GLU A 18 -0.998 38.294 -16.715 1.00 0.00 O ATOM 293 OE2 GLU A 18 -2.916 37.536 -17.331 1.00 0.00 O ATOM 0 H GLU A 18 -1.640 38.996 -12.449 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.406 39.724 -13.151 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.557 37.404 -13.879 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.197 37.598 -14.464 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.589 39.660 -15.710 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.996 39.694 -14.979 1.00 0.00 H new ATOM 300 N PRO A 19 -5.423 37.540 -11.902 1.00 0.00 N ATOM 301 CA PRO A 19 -5.921 36.582 -10.859 1.00 0.00 C ATOM 302 C PRO A 19 -5.151 35.282 -10.928 1.00 0.00 C ATOM 303 O PRO A 19 -4.937 34.607 -9.941 1.00 0.00 O ATOM 304 CB PRO A 19 -7.445 36.402 -11.094 1.00 0.00 C ATOM 305 CG PRO A 19 -7.843 37.470 -12.167 1.00 0.00 C ATOM 306 CD PRO A 19 -6.502 38.034 -12.757 1.00 0.00 C ATOM 0 HA PRO A 19 -5.762 36.963 -9.850 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.670 35.394 -11.444 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.003 36.550 -10.169 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.453 37.022 -12.951 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.435 38.268 -11.719 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.363 37.702 -13.786 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.515 39.124 -12.773 1.00 0.00 H new ATOM 314 N SER A 20 -4.732 34.968 -12.146 1.00 0.00 N ATOM 315 CA SER A 20 -4.008 33.726 -12.478 1.00 0.00 C ATOM 316 C SER A 20 -2.485 33.779 -12.281 1.00 0.00 C ATOM 317 O SER A 20 -1.730 32.801 -12.556 1.00 0.00 O ATOM 318 CB SER A 20 -4.274 33.337 -13.917 1.00 0.00 C ATOM 319 OG SER A 20 -3.956 34.425 -14.831 1.00 0.00 O ATOM 0 H SER A 20 -4.883 35.573 -12.953 1.00 0.00 H new ATOM 0 HA SER A 20 -4.393 32.992 -11.770 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.680 32.460 -14.174 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.321 33.058 -14.032 1.00 0.00 H new ATOM 0 HG SER A 20 -4.137 34.142 -15.752 1.00 0.00 H new ATOM 325 N ASP A 21 -1.944 34.955 -11.838 1.00 0.00 N ATOM 326 CA ASP A 21 -0.623 35.064 -11.336 1.00 0.00 C ATOM 327 C ASP A 21 -0.505 34.443 -9.960 1.00 0.00 C ATOM 328 O ASP A 21 -1.379 34.410 -9.143 1.00 0.00 O ATOM 329 CB ASP A 21 -0.127 36.495 -11.178 1.00 0.00 C ATOM 330 CG ASP A 21 -0.004 37.229 -12.541 1.00 0.00 C ATOM 331 OD1 ASP A 21 -0.015 36.618 -13.626 1.00 0.00 O ATOM 332 OD2 ASP A 21 0.197 38.411 -12.429 1.00 0.00 O ATOM 0 H ASP A 21 -2.455 35.838 -11.838 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.022 34.549 -12.085 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.811 37.045 -10.532 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.844 36.488 -10.682 1.00 0.00 H new ATOM 337 N THR A 22 0.715 33.925 -9.728 1.00 0.00 N ATOM 338 CA THR A 22 1.024 33.142 -8.552 1.00 0.00 C ATOM 339 C THR A 22 1.729 33.998 -7.542 1.00 0.00 C ATOM 340 O THR A 22 2.120 35.132 -7.791 1.00 0.00 O ATOM 341 CB THR A 22 1.844 31.869 -8.817 1.00 0.00 C ATOM 342 OG1 THR A 22 2.986 32.150 -9.555 1.00 0.00 O ATOM 343 CG2 THR A 22 0.974 30.839 -9.595 1.00 0.00 C ATOM 0 H THR A 22 1.505 34.047 -10.361 1.00 0.00 H new ATOM 0 HA THR A 22 0.063 32.796 -8.172 1.00 0.00 H new ATOM 0 HB THR A 22 2.146 31.456 -7.855 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.489 31.323 -9.707 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.557 29.937 -9.782 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.094 30.586 -9.004 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.661 31.272 -10.545 1.00 0.00 H new ATOM 351 N ILE A 23 1.794 33.468 -6.318 1.00 0.00 N ATOM 352 CA ILE A 23 2.420 34.226 -5.267 1.00 0.00 C ATOM 353 C ILE A 23 3.931 34.432 -5.547 1.00 0.00 C ATOM 354 O ILE A 23 4.490 35.518 -5.382 1.00 0.00 O ATOM 355 CB ILE A 23 2.221 33.395 -3.940 1.00 0.00 C ATOM 356 CG1 ILE A 23 0.761 33.027 -3.636 1.00 0.00 C ATOM 357 CG2 ILE A 23 2.818 34.120 -2.750 1.00 0.00 C ATOM 358 CD1 ILE A 23 -0.264 34.289 -3.898 1.00 0.00 C ATOM 0 H ILE A 23 1.433 32.553 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 23 1.974 35.218 -5.191 1.00 0.00 H new ATOM 0 HB ILE A 23 2.749 32.457 -4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.463 32.183 -4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.678 32.702 -2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.667 33.526 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.886 34.268 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.331 35.088 -2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.285 33.982 -3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.016 35.124 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.202 34.597 -4.942 1.00 0.00 H new ATOM 370 N GLU A 24 4.569 33.431 -6.209 1.00 0.00 N ATOM 371 CA GLU A 24 5.885 33.614 -6.892 1.00 0.00 C ATOM 372 C GLU A 24 5.941 34.841 -7.848 1.00 0.00 C ATOM 373 O GLU A 24 7.024 35.415 -7.893 1.00 0.00 O ATOM 374 CB GLU A 24 6.337 32.384 -7.791 1.00 0.00 C ATOM 375 CG GLU A 24 6.694 31.087 -6.968 1.00 0.00 C ATOM 376 CD GLU A 24 7.558 30.099 -7.820 1.00 0.00 C ATOM 377 OE1 GLU A 24 8.700 29.864 -7.453 1.00 0.00 O ATOM 378 OE2 GLU A 24 7.032 29.578 -8.795 1.00 0.00 O ATOM 0 H GLU A 24 4.195 32.485 -6.286 1.00 0.00 H new ATOM 0 HA GLU A 24 6.548 33.742 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.538 32.148 -8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.205 32.678 -8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.237 31.364 -6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.777 30.591 -6.649 1.00 0.00 H new ATOM 385 N ASN A 25 4.918 35.212 -8.657 1.00 0.00 N ATOM 386 CA ASN A 25 5.069 36.458 -9.485 1.00 0.00 C ATOM 387 C ASN A 25 5.053 37.725 -8.599 1.00 0.00 C ATOM 388 O ASN A 25 5.747 38.716 -8.899 1.00 0.00 O ATOM 389 CB ASN A 25 3.854 36.643 -10.500 1.00 0.00 C ATOM 390 CG ASN A 25 3.687 35.531 -11.534 1.00 0.00 C ATOM 391 OD1 ASN A 25 2.817 34.661 -11.368 1.00 0.00 O ATOM 392 ND2 ASN A 25 4.338 35.558 -12.660 1.00 0.00 N ATOM 0 H ASN A 25 4.034 34.714 -8.760 1.00 0.00 H new ATOM 0 HA ASN A 25 6.016 36.342 -10.013 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.931 36.722 -9.925 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.984 37.589 -11.026 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.130 34.873 -13.386 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.057 36.265 -12.817 1.00 0.00 H new ATOM 399 N VAL A 26 4.300 37.685 -7.480 1.00 0.00 N ATOM 400 CA VAL A 26 4.284 38.788 -6.482 1.00 0.00 C ATOM 401 C VAL A 26 5.713 38.908 -5.862 1.00 0.00 C ATOM 402 O VAL A 26 6.265 40.013 -5.823 1.00 0.00 O ATOM 403 CB VAL A 26 3.212 38.576 -5.390 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.123 39.763 -4.411 1.00 0.00 C ATOM 405 CG2 VAL A 26 1.798 38.466 -6.062 1.00 0.00 C ATOM 0 H VAL A 26 3.692 36.902 -7.240 1.00 0.00 H new ATOM 0 HA VAL A 26 4.016 39.718 -6.984 1.00 0.00 H new ATOM 0 HB VAL A 26 3.498 37.673 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.355 39.562 -3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.084 39.898 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.867 40.669 -4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.040 38.316 -5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.583 39.384 -6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.787 37.621 -6.751 1.00 0.00 H new ATOM 415 N LYS A 27 6.317 37.772 -5.475 1.00 0.00 N ATOM 416 CA LYS A 27 7.725 37.752 -5.008 1.00 0.00 C ATOM 417 C LYS A 27 8.743 38.293 -6.076 1.00 0.00 C ATOM 418 O LYS A 27 9.555 39.130 -5.740 1.00 0.00 O ATOM 419 CB LYS A 27 8.221 36.301 -4.577 1.00 0.00 C ATOM 420 CG LYS A 27 7.363 35.714 -3.375 1.00 0.00 C ATOM 421 CD LYS A 27 7.971 34.515 -2.584 1.00 0.00 C ATOM 422 CE LYS A 27 8.329 33.400 -3.621 1.00 0.00 C ATOM 423 NZ LYS A 27 8.878 32.233 -2.897 1.00 0.00 N ATOM 0 H LYS A 27 5.862 36.859 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 27 7.713 38.414 -4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.158 35.627 -5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.270 36.348 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.173 36.523 -2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.396 35.402 -3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.860 34.828 -2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.259 34.140 -1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.442 33.111 -4.185 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.057 33.774 -4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.072 31.466 -3.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.760 32.505 -2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.188 31.906 -2.191 1.00 0.00 H new ATOM 437 N ALA A 28 8.611 37.915 -7.345 1.00 0.00 N ATOM 438 CA ALA A 28 9.592 38.314 -8.404 1.00 0.00 C ATOM 439 C ALA A 28 9.600 39.841 -8.679 1.00 0.00 C ATOM 440 O ALA A 28 10.634 40.433 -8.961 1.00 0.00 O ATOM 441 CB ALA A 28 9.266 37.486 -9.664 1.00 0.00 C ATOM 0 H ALA A 28 7.844 37.335 -7.685 1.00 0.00 H new ATOM 0 HA ALA A 28 10.606 38.101 -8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.961 37.748 -10.462 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.359 36.424 -9.436 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.247 37.700 -9.986 1.00 0.00 H new ATOM 447 N LYS A 29 8.412 40.435 -8.629 1.00 0.00 N ATOM 448 CA LYS A 29 8.244 41.857 -8.769 1.00 0.00 C ATOM 449 C LYS A 29 8.891 42.745 -7.653 1.00 0.00 C ATOM 450 O LYS A 29 9.494 43.794 -7.902 1.00 0.00 O ATOM 451 CB LYS A 29 6.712 42.079 -8.938 1.00 0.00 C ATOM 452 CG LYS A 29 6.258 41.726 -10.391 1.00 0.00 C ATOM 453 CD LYS A 29 4.793 42.175 -10.759 1.00 0.00 C ATOM 454 CE LYS A 29 4.354 41.172 -11.857 1.00 0.00 C ATOM 455 NZ LYS A 29 3.239 41.755 -12.566 1.00 0.00 N ATOM 0 H LYS A 29 7.538 39.929 -8.488 1.00 0.00 H new ATOM 0 HA LYS A 29 8.806 42.202 -9.637 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.169 41.462 -8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.464 43.117 -8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.951 42.188 -11.094 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.337 40.648 -10.528 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.133 42.131 -9.892 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.771 43.201 -11.125 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.178 40.969 -12.541 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.068 40.219 -11.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.031 41.187 -13.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.404 41.772 -11.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.478 42.726 -12.851 1.00 0.00 H new ATOM 469 N ILE A 30 8.853 42.290 -6.403 1.00 0.00 N ATOM 470 CA ILE A 30 9.601 42.912 -5.280 1.00 0.00 C ATOM 471 C ILE A 30 11.080 42.692 -5.410 1.00 0.00 C ATOM 472 O ILE A 30 11.871 43.616 -5.144 1.00 0.00 O ATOM 473 CB ILE A 30 9.056 42.318 -3.912 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.566 42.663 -3.961 1.00 0.00 C ATOM 475 CG2 ILE A 30 9.813 42.878 -2.646 1.00 0.00 C ATOM 476 CD1 ILE A 30 6.743 41.780 -2.972 1.00 0.00 C ATOM 0 H ILE A 30 8.304 41.477 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 30 9.442 43.990 -5.302 1.00 0.00 H new ATOM 0 HB ILE A 30 9.225 41.246 -3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.427 43.715 -3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.192 42.522 -4.975 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.393 42.433 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.872 42.628 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.698 43.961 -2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.689 42.051 -3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.863 40.729 -3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.101 41.942 -1.955 1.00 0.00 H new ATOM 488 N GLN A 31 11.500 41.466 -5.923 1.00 0.00 N ATOM 489 CA GLN A 31 12.864 41.188 -6.359 1.00 0.00 C ATOM 490 C GLN A 31 13.484 42.242 -7.248 1.00 0.00 C ATOM 491 O GLN A 31 14.532 42.794 -6.899 1.00 0.00 O ATOM 492 CB GLN A 31 12.948 39.682 -6.916 1.00 0.00 C ATOM 493 CG GLN A 31 14.041 39.197 -7.946 1.00 0.00 C ATOM 494 CD GLN A 31 15.485 39.487 -7.734 1.00 0.00 C ATOM 495 OE1 GLN A 31 16.087 39.112 -6.689 1.00 0.00 O ATOM 496 NE2 GLN A 31 16.060 40.173 -8.664 1.00 0.00 N ATOM 0 H GLN A 31 10.873 40.669 -6.030 1.00 0.00 H new ATOM 0 HA GLN A 31 13.513 41.255 -5.486 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.040 39.036 -6.043 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.981 39.468 -7.370 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.943 38.114 -8.028 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.772 39.615 -8.916 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.533 40.454 -9.491 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.042 40.434 -8.572 1.00 0.00 H new ATOM 505 N ASP A 32 12.836 42.583 -8.348 1.00 0.00 N ATOM 506 CA ASP A 32 13.345 43.588 -9.250 1.00 0.00 C ATOM 507 C ASP A 32 13.575 44.959 -8.618 1.00 0.00 C ATOM 508 O ASP A 32 14.639 45.550 -8.741 1.00 0.00 O ATOM 509 CB ASP A 32 12.208 43.878 -10.326 1.00 0.00 C ATOM 510 CG ASP A 32 12.155 42.920 -11.477 1.00 0.00 C ATOM 511 OD1 ASP A 32 11.383 43.263 -12.413 1.00 0.00 O ATOM 512 OD2 ASP A 32 12.861 41.909 -11.463 1.00 0.00 O ATOM 0 H ASP A 32 11.948 42.171 -8.635 1.00 0.00 H new ATOM 0 HA ASP A 32 14.289 43.193 -9.624 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.242 43.867 -9.821 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.351 44.885 -10.719 1.00 0.00 H new ATOM 517 N LYS A 33 12.513 45.433 -7.935 1.00 0.00 N ATOM 518 CA LYS A 33 12.428 46.706 -7.243 1.00 0.00 C ATOM 519 C LYS A 33 13.419 46.885 -6.082 1.00 0.00 C ATOM 520 O LYS A 33 13.954 48.002 -5.977 1.00 0.00 O ATOM 521 CB LYS A 33 10.973 46.793 -6.664 1.00 0.00 C ATOM 522 CG LYS A 33 9.889 46.952 -7.750 1.00 0.00 C ATOM 523 CD LYS A 33 8.493 47.041 -6.991 1.00 0.00 C ATOM 524 CE LYS A 33 7.262 47.034 -7.936 1.00 0.00 C ATOM 525 NZ LYS A 33 7.080 48.331 -8.591 1.00 0.00 N ATOM 0 H LYS A 33 11.650 44.896 -7.856 1.00 0.00 H new ATOM 0 HA LYS A 33 12.677 47.488 -7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.766 45.893 -6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 33 10.914 47.636 -5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.065 47.849 -8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.903 46.106 -8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.413 46.202 -6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.474 47.951 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.387 46.258 -8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.367 46.784 -7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.249 48.291 -9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.937 49.067 -7.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.925 48.557 -9.154 1.00 0.00 H new ATOM 539 N GLU A 34 13.641 45.898 -5.184 1.00 0.00 N ATOM 540 CA GLU A 34 14.486 46.186 -3.985 1.00 0.00 C ATOM 541 C GLU A 34 15.739 45.273 -3.899 1.00 0.00 C ATOM 542 O GLU A 34 16.646 45.466 -3.095 1.00 0.00 O ATOM 543 CB GLU A 34 13.638 45.907 -2.753 1.00 0.00 C ATOM 544 CG GLU A 34 12.362 46.767 -2.484 1.00 0.00 C ATOM 545 CD GLU A 34 12.670 48.212 -1.975 1.00 0.00 C ATOM 546 OE1 GLU A 34 13.398 48.356 -1.009 1.00 0.00 O ATOM 547 OE2 GLU A 34 12.158 49.154 -2.601 1.00 0.00 O ATOM 0 H GLU A 34 13.276 44.948 -5.249 1.00 0.00 H new ATOM 0 HA GLU A 34 14.825 47.220 -4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.324 44.864 -2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.286 46.004 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.779 46.832 -3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.741 46.257 -1.748 1.00 0.00 H new ATOM 554 N GLY A 35 15.814 44.317 -4.802 1.00 0.00 N ATOM 555 CA GLY A 35 16.854 43.299 -4.853 1.00 0.00 C ATOM 556 C GLY A 35 16.873 42.282 -3.732 1.00 0.00 C ATOM 557 O GLY A 35 17.938 42.091 -3.178 1.00 0.00 O ATOM 0 H GLY A 35 15.128 44.220 -5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.757 42.762 -5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.821 43.802 -4.871 1.00 0.00 H new ATOM 561 N ILE A 36 15.740 41.622 -3.459 1.00 0.00 N ATOM 562 CA ILE A 36 15.586 40.780 -2.288 1.00 0.00 C ATOM 563 C ILE A 36 15.233 39.344 -2.791 1.00 0.00 C ATOM 564 O ILE A 36 14.194 39.152 -3.430 1.00 0.00 O ATOM 565 CB ILE A 36 14.476 41.223 -1.311 1.00 0.00 C ATOM 566 CG1 ILE A 36 14.589 42.755 -0.925 1.00 0.00 C ATOM 567 CG2 ILE A 36 14.603 40.360 -0.032 1.00 0.00 C ATOM 568 CD1 ILE A 36 13.279 43.324 -0.257 1.00 0.00 C ATOM 0 H ILE A 36 14.910 41.663 -4.050 1.00 0.00 H new ATOM 0 HA ILE A 36 16.523 40.838 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 36 13.509 41.087 -1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 36 15.427 42.890 -0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.813 43.334 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.830 40.649 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.483 39.308 -0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.585 40.514 0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.421 44.378 -0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.443 43.219 -0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 36 13.066 42.769 0.657 1.00 0.00 H new ATOM 580 N PRO A 37 16.086 38.392 -2.581 1.00 0.00 N ATOM 581 CA PRO A 37 15.900 37.068 -3.278 1.00 0.00 C ATOM 582 C PRO A 37 14.598 36.310 -3.000 1.00 0.00 C ATOM 583 O PRO A 37 14.138 36.278 -1.870 1.00 0.00 O ATOM 584 CB PRO A 37 17.072 36.199 -2.846 1.00 0.00 C ATOM 585 CG PRO A 37 18.234 37.195 -2.605 1.00 0.00 C ATOM 586 CD PRO A 37 17.469 38.453 -2.041 1.00 0.00 C ATOM 0 HA PRO A 37 15.850 37.284 -4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.837 35.639 -1.941 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.329 35.470 -3.615 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.964 36.808 -1.894 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.774 37.423 -3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 37 17.459 38.443 -0.951 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.963 39.375 -2.347 1.00 0.00 H new ATOM 594 N PRO A 38 13.976 35.669 -3.939 1.00 0.00 N ATOM 595 CA PRO A 38 12.610 35.121 -3.707 1.00 0.00 C ATOM 596 C PRO A 38 12.476 33.936 -2.779 1.00 0.00 C ATOM 597 O PRO A 38 11.365 33.767 -2.302 1.00 0.00 O ATOM 598 CB PRO A 38 12.135 34.777 -5.116 1.00 0.00 C ATOM 599 CG PRO A 38 13.400 34.743 -6.038 1.00 0.00 C ATOM 600 CD PRO A 38 14.217 35.811 -5.379 1.00 0.00 C ATOM 0 HA PRO A 38 12.015 35.860 -3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.626 33.813 -5.125 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.420 35.518 -5.472 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.896 33.773 -6.032 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.167 34.975 -7.077 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.275 35.693 -5.612 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.922 36.800 -5.729 1.00 0.00 H new ATOM 608 N ASP A 39 13.540 33.141 -2.531 1.00 0.00 N ATOM 609 CA ASP A 39 13.544 32.123 -1.507 1.00 0.00 C ATOM 610 C ASP A 39 13.744 32.726 -0.083 1.00 0.00 C ATOM 611 O ASP A 39 13.488 32.047 0.952 1.00 0.00 O ATOM 612 CB ASP A 39 14.739 31.150 -1.879 1.00 0.00 C ATOM 613 CG ASP A 39 16.071 31.916 -1.860 1.00 0.00 C ATOM 614 OD1 ASP A 39 16.969 31.427 -1.177 1.00 0.00 O ATOM 615 OD2 ASP A 39 16.251 32.899 -2.584 1.00 0.00 O ATOM 0 H ASP A 39 14.416 33.204 -3.050 1.00 0.00 H new ATOM 0 HA ASP A 39 12.587 31.603 -1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.777 30.322 -1.172 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.573 30.719 -2.866 1.00 0.00 H new ATOM 620 N GLN A 40 14.234 33.979 -0.046 1.00 0.00 N ATOM 621 CA GLN A 40 14.279 34.662 1.213 1.00 0.00 C ATOM 622 C GLN A 40 12.900 35.327 1.526 1.00 0.00 C ATOM 623 O GLN A 40 12.637 35.696 2.658 1.00 0.00 O ATOM 624 CB GLN A 40 15.386 35.716 1.307 1.00 0.00 C ATOM 625 CG GLN A 40 16.819 35.158 1.196 1.00 0.00 C ATOM 626 CD GLN A 40 17.906 36.168 1.760 1.00 0.00 C ATOM 627 OE1 GLN A 40 18.654 36.787 0.976 1.00 0.00 O ATOM 628 NE2 GLN A 40 17.959 36.352 3.052 1.00 0.00 N ATOM 0 H GLN A 40 14.585 34.502 -0.848 1.00 0.00 H new ATOM 0 HA GLN A 40 14.509 33.896 1.954 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.235 36.452 0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.288 36.242 2.257 1.00 0.00 H new ATOM 0 HG2 GLN A 40 16.883 34.217 1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.040 34.936 0.152 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.334 35.831 3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 40 18.625 37.017 3.446 1.00 0.00 H new ATOM 637 N GLN A 41 12.050 35.517 0.511 1.00 0.00 N ATOM 638 CA GLN A 41 10.729 36.144 0.750 1.00 0.00 C ATOM 639 C GLN A 41 9.653 35.093 1.087 1.00 0.00 C ATOM 640 O GLN A 41 9.541 34.022 0.475 1.00 0.00 O ATOM 641 CB GLN A 41 10.341 37.069 -0.458 1.00 0.00 C ATOM 642 CG GLN A 41 11.269 38.361 -0.766 1.00 0.00 C ATOM 643 CD GLN A 41 10.680 38.881 -2.080 1.00 0.00 C ATOM 644 OE1 GLN A 41 9.468 39.243 -2.160 1.00 0.00 O ATOM 645 NE2 GLN A 41 11.422 38.961 -3.102 1.00 0.00 N ATOM 0 H GLN A 41 12.236 35.258 -0.458 1.00 0.00 H new ATOM 0 HA GLN A 41 10.795 36.782 1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.322 36.452 -1.356 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.323 37.423 -0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.208 39.104 0.029 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.320 38.091 -0.870 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.399 38.672 -3.047 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.043 39.315 -3.981 1.00 0.00 H new ATOM 654 N ARG A 42 8.677 35.533 1.905 1.00 0.00 N ATOM 655 CA ARG A 42 7.451 34.753 2.087 1.00 0.00 C ATOM 656 C ARG A 42 6.329 35.734 2.349 1.00 0.00 C ATOM 657 O ARG A 42 6.508 36.821 2.917 1.00 0.00 O ATOM 658 CB ARG A 42 7.539 33.585 3.144 1.00 0.00 C ATOM 659 CG ARG A 42 8.215 34.104 4.453 1.00 0.00 C ATOM 660 CD ARG A 42 8.580 32.994 5.542 1.00 0.00 C ATOM 661 NE ARG A 42 9.613 32.105 4.917 1.00 0.00 N ATOM 662 CZ ARG A 42 10.538 31.451 5.617 1.00 0.00 C ATOM 663 NH1 ARG A 42 10.750 31.634 6.895 1.00 0.00 N ATOM 664 NH2 ARG A 42 11.199 30.458 5.087 1.00 0.00 N ATOM 0 H ARG A 42 8.716 36.403 2.436 1.00 0.00 H new ATOM 0 HA ARG A 42 7.258 34.192 1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.541 33.207 3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.112 32.753 2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.129 34.632 4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.551 34.834 4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.965 33.455 6.452 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.696 32.422 5.824 1.00 0.00 H new ATOM 0 HE ARG A 42 9.607 31.995 3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.190 32.311 7.413 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.476 31.100 7.373 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.010 30.175 4.126 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.905 29.965 5.634 1.00 0.00 H new ATOM 678 N LEU A 43 5.153 35.402 1.799 1.00 0.00 N ATOM 679 CA LEU A 43 4.034 36.299 1.865 1.00 0.00 C ATOM 680 C LEU A 43 2.896 35.772 2.745 1.00 0.00 C ATOM 681 O LEU A 43 2.743 34.600 3.091 1.00 0.00 O ATOM 682 CB LEU A 43 3.700 36.764 0.391 1.00 0.00 C ATOM 683 CG LEU A 43 4.863 37.554 -0.328 1.00 0.00 C ATOM 684 CD1 LEU A 43 4.561 37.668 -1.840 1.00 0.00 C ATOM 685 CD2 LEU A 43 5.003 39.032 0.197 1.00 0.00 C ATOM 0 H LEU A 43 4.971 34.524 1.312 1.00 0.00 H new ATOM 0 HA LEU A 43 4.270 37.212 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.452 35.886 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.811 37.394 0.415 1.00 0.00 H new ATOM 0 HG LEU A 43 5.778 36.998 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.366 38.214 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.483 36.670 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.621 38.200 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.817 39.530 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.072 39.571 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.217 39.020 1.266 1.00 0.00 H new ATOM 697 N ILE A 44 2.168 36.810 3.227 1.00 0.00 N ATOM 698 CA ILE A 44 1.135 36.659 4.253 1.00 0.00 C ATOM 699 C ILE A 44 -0.006 37.592 3.802 1.00 0.00 C ATOM 700 O ILE A 44 0.190 38.706 3.371 1.00 0.00 O ATOM 701 CB ILE A 44 1.611 37.066 5.729 1.00 0.00 C ATOM 702 CG1 ILE A 44 2.876 36.244 6.160 1.00 0.00 C ATOM 703 CG2 ILE A 44 0.463 37.087 6.796 1.00 0.00 C ATOM 704 CD1 ILE A 44 4.156 37.136 6.228 1.00 0.00 C ATOM 0 H ILE A 44 2.289 37.771 2.908 1.00 0.00 H new ATOM 0 HA ILE A 44 0.849 35.610 4.333 1.00 0.00 H new ATOM 0 HB ILE A 44 1.916 38.111 5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.698 35.789 7.135 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.038 35.430 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.872 37.372 7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.298 37.808 6.497 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.015 36.096 6.868 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.008 36.527 6.530 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.350 37.570 5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.005 37.934 6.954 1.00 0.00 H new ATOM 716 N PHE A 45 -1.229 37.158 3.941 1.00 0.00 N ATOM 717 CA PHE A 45 -2.412 38.042 3.740 1.00 0.00 C ATOM 718 C PHE A 45 -3.354 37.828 4.933 1.00 0.00 C ATOM 719 O PHE A 45 -3.909 36.768 5.112 1.00 0.00 O ATOM 720 CB PHE A 45 -3.199 37.729 2.414 1.00 0.00 C ATOM 721 CG PHE A 45 -4.358 38.654 2.128 1.00 0.00 C ATOM 722 CD1 PHE A 45 -4.352 39.996 2.477 1.00 0.00 C ATOM 723 CD2 PHE A 45 -5.479 38.143 1.473 1.00 0.00 C ATOM 724 CE1 PHE A 45 -5.407 40.817 2.154 1.00 0.00 C ATOM 725 CE2 PHE A 45 -6.556 38.977 1.124 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.534 40.319 1.481 1.00 0.00 C ATOM 0 H PHE A 45 -1.463 36.198 4.193 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.059 39.070 3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.503 37.773 1.577 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.573 36.706 2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.506 40.403 3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.520 37.091 1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.368 41.862 2.423 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.398 38.575 0.580 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.366 40.966 1.246 1.00 0.00 H new ATOM 736 N ALA A 46 -3.554 38.869 5.738 1.00 0.00 N ATOM 737 CA ALA A 46 -4.671 38.978 6.700 1.00 0.00 C ATOM 738 C ALA A 46 -4.776 38.023 7.895 1.00 0.00 C ATOM 739 O ALA A 46 -5.902 37.730 8.333 1.00 0.00 O ATOM 740 CB ALA A 46 -5.974 39.178 5.908 1.00 0.00 C ATOM 0 H ALA A 46 -2.937 39.681 5.747 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.423 39.855 7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.812 39.261 6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.903 40.089 5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.133 38.326 5.247 1.00 0.00 H new ATOM 746 N GLY A 47 -3.603 37.606 8.447 1.00 0.00 N ATOM 747 CA GLY A 47 -3.557 36.555 9.477 1.00 0.00 C ATOM 748 C GLY A 47 -3.016 35.209 9.000 1.00 0.00 C ATOM 749 O GLY A 47 -2.849 34.302 9.859 1.00 0.00 O ATOM 0 H GLY A 47 -2.690 37.984 8.192 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.940 36.905 10.305 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.563 36.407 9.869 1.00 0.00 H new ATOM 753 N LYS A 48 -2.733 34.969 7.686 1.00 0.00 N ATOM 754 CA LYS A 48 -2.228 33.659 7.263 1.00 0.00 C ATOM 755 C LYS A 48 -1.238 33.720 6.084 1.00 0.00 C ATOM 756 O LYS A 48 -1.230 34.585 5.204 1.00 0.00 O ATOM 757 CB LYS A 48 -3.371 32.668 7.021 1.00 0.00 C ATOM 758 CG LYS A 48 -4.473 33.131 6.034 1.00 0.00 C ATOM 759 CD LYS A 48 -4.085 33.087 4.551 1.00 0.00 C ATOM 760 CE LYS A 48 -4.056 31.631 3.959 1.00 0.00 C ATOM 761 NZ LYS A 48 -5.338 30.859 4.005 1.00 0.00 N ATOM 0 H LYS A 48 -2.846 35.650 6.935 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.638 33.282 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.945 31.736 6.648 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.840 32.443 7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.355 32.507 6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.759 34.152 6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.791 33.690 3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.103 33.542 4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.734 31.693 2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.297 31.061 4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.205 29.938 3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.619 30.711 4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.082 31.391 3.510 1.00 0.00 H new ATOM 775 N GLN A 49 -0.287 32.810 6.109 1.00 0.00 N ATOM 776 CA GLN A 49 0.761 32.731 5.042 1.00 0.00 C ATOM 777 C GLN A 49 0.205 32.217 3.703 1.00 0.00 C ATOM 778 O GLN A 49 -0.766 31.507 3.677 1.00 0.00 O ATOM 779 CB GLN A 49 1.907 31.863 5.501 1.00 0.00 C ATOM 780 CG GLN A 49 2.675 32.457 6.780 1.00 0.00 C ATOM 781 CD GLN A 49 3.658 31.456 7.380 1.00 0.00 C ATOM 782 OE1 GLN A 49 3.700 30.304 6.900 1.00 0.00 O ATOM 783 NE2 GLN A 49 4.623 31.888 8.238 1.00 0.00 N ATOM 0 H GLN A 49 -0.194 32.106 6.841 1.00 0.00 H new ATOM 0 HA GLN A 49 1.119 33.746 4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.529 30.869 5.741 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.616 31.745 4.682 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.211 33.361 6.492 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.946 32.746 7.537 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.578 32.831 8.623 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.391 31.268 8.495 1.00 0.00 H new ATOM 792 N LEU A 50 0.873 32.598 2.607 1.00 0.00 N ATOM 793 CA LEU A 50 0.457 32.094 1.305 1.00 0.00 C ATOM 794 C LEU A 50 1.586 31.332 0.609 1.00 0.00 C ATOM 795 O LEU A 50 2.674 31.823 0.478 1.00 0.00 O ATOM 796 CB LEU A 50 0.142 33.344 0.418 1.00 0.00 C ATOM 797 CG LEU A 50 -0.718 34.412 1.009 1.00 0.00 C ATOM 798 CD1 LEU A 50 -0.560 35.641 0.076 1.00 0.00 C ATOM 799 CD2 LEU A 50 -2.217 33.961 1.107 1.00 0.00 C ATOM 0 H LEU A 50 1.674 33.230 2.598 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.393 31.425 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.090 33.798 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.337 32.995 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.414 34.642 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.167 36.464 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.486 35.945 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.888 35.379 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.811 34.765 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.593 33.730 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.290 33.074 1.737 1.00 0.00 H new ATOM 811 N GLU A 51 1.248 30.151 0.088 1.00 0.00 N ATOM 812 CA GLU A 51 2.198 29.185 -0.528 1.00 0.00 C ATOM 813 C GLU A 51 2.632 29.678 -1.917 1.00 0.00 C ATOM 814 O GLU A 51 1.886 30.342 -2.627 1.00 0.00 O ATOM 815 CB GLU A 51 1.499 27.791 -0.616 1.00 0.00 C ATOM 816 CG GLU A 51 2.382 26.730 -1.359 1.00 0.00 C ATOM 817 CD GLU A 51 1.795 25.262 -1.193 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.290 24.729 -2.173 1.00 0.00 O ATOM 819 OE2 GLU A 51 1.844 24.670 -0.106 1.00 0.00 O ATOM 0 H GLU A 51 0.284 29.819 0.076 1.00 0.00 H new ATOM 0 HA GLU A 51 3.096 29.098 0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.276 27.435 0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.547 27.896 -1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.441 26.982 -2.418 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.399 26.763 -0.967 1.00 0.00 H new ATOM 826 N ASP A 52 3.922 29.411 -2.271 1.00 0.00 N ATOM 827 CA ASP A 52 4.509 29.917 -3.515 1.00 0.00 C ATOM 828 C ASP A 52 3.803 29.501 -4.858 1.00 0.00 C ATOM 829 O ASP A 52 3.532 30.321 -5.720 1.00 0.00 O ATOM 830 CB ASP A 52 5.981 29.352 -3.627 1.00 0.00 C ATOM 831 CG ASP A 52 6.859 29.949 -2.498 1.00 0.00 C ATOM 832 OD1 ASP A 52 6.574 31.069 -2.020 1.00 0.00 O ATOM 833 OD2 ASP A 52 7.873 29.331 -2.202 1.00 0.00 O ATOM 0 H ASP A 52 4.560 28.850 -1.706 1.00 0.00 H new ATOM 0 HA ASP A 52 4.417 31.000 -3.430 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.969 28.264 -3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.404 29.602 -4.600 1.00 0.00 H new ATOM 838 N GLY A 53 3.352 28.226 -4.987 1.00 0.00 N ATOM 839 CA GLY A 53 2.725 27.675 -6.209 1.00 0.00 C ATOM 840 C GLY A 53 1.264 28.038 -6.511 1.00 0.00 C ATOM 841 O GLY A 53 0.782 27.763 -7.598 1.00 0.00 O ATOM 0 H GLY A 53 3.417 27.544 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.328 27.989 -7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.792 26.588 -6.155 1.00 0.00 H new ATOM 845 N ARG A 54 0.543 28.489 -5.531 1.00 0.00 N ATOM 846 CA ARG A 54 -0.912 28.873 -5.615 1.00 0.00 C ATOM 847 C ARG A 54 -1.182 30.174 -6.444 1.00 0.00 C ATOM 848 O ARG A 54 -0.366 31.065 -6.440 1.00 0.00 O ATOM 849 CB ARG A 54 -1.336 29.028 -4.170 1.00 0.00 C ATOM 850 CG ARG A 54 -1.705 27.697 -3.397 1.00 0.00 C ATOM 851 CD ARG A 54 -3.098 27.165 -3.778 1.00 0.00 C ATOM 852 NE ARG A 54 -2.988 26.308 -4.947 1.00 0.00 N ATOM 853 CZ ARG A 54 -4.028 25.697 -5.447 1.00 0.00 C ATOM 854 NH1 ARG A 54 -5.196 25.630 -4.900 1.00 0.00 N ATOM 855 NH2 ARG A 54 -3.803 24.935 -6.489 1.00 0.00 N ATOM 0 H ARG A 54 0.928 28.621 -4.596 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.484 28.116 -6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.530 29.525 -3.629 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.199 29.693 -4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.956 26.935 -3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.671 27.882 -2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.526 26.608 -2.945 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.772 27.996 -3.986 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.077 26.181 -5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.364 26.079 -4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.950 25.128 -5.368 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.858 24.847 -6.862 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.573 24.430 -6.927 1.00 0.00 H new ATOM 869 N THR A 55 -2.375 30.308 -7.059 1.00 0.00 N ATOM 870 CA THR A 55 -2.662 31.552 -7.765 1.00 0.00 C ATOM 871 C THR A 55 -3.423 32.471 -6.868 1.00 0.00 C ATOM 872 O THR A 55 -3.967 32.060 -5.862 1.00 0.00 O ATOM 873 CB THR A 55 -3.513 31.342 -9.033 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.766 30.631 -8.815 1.00 0.00 O ATOM 875 CG2 THR A 55 -2.754 30.666 -10.175 1.00 0.00 C ATOM 0 H THR A 55 -3.114 29.605 -7.078 1.00 0.00 H new ATOM 0 HA THR A 55 -1.698 31.968 -8.057 1.00 0.00 H new ATOM 0 HB THR A 55 -3.756 32.364 -9.323 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.583 29.677 -8.689 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.416 30.551 -11.034 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.898 31.279 -10.456 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.407 29.685 -9.851 1.00 0.00 H new ATOM 883 N LEU A 56 -3.511 33.731 -7.268 1.00 0.00 N ATOM 884 CA LEU A 56 -4.370 34.677 -6.525 1.00 0.00 C ATOM 885 C LEU A 56 -5.889 34.349 -6.536 1.00 0.00 C ATOM 886 O LEU A 56 -6.690 34.606 -5.584 1.00 0.00 O ATOM 887 CB LEU A 56 -4.084 36.128 -7.031 1.00 0.00 C ATOM 888 CG LEU A 56 -2.571 36.607 -6.790 1.00 0.00 C ATOM 889 CD1 LEU A 56 -2.098 37.681 -7.829 1.00 0.00 C ATOM 890 CD2 LEU A 56 -2.293 37.102 -5.301 1.00 0.00 C ATOM 0 H LEU A 56 -3.022 34.124 -8.072 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.101 34.580 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.308 36.183 -8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.760 36.819 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.971 35.710 -6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.068 37.966 -7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.158 37.265 -8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.739 38.560 -7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.252 37.411 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.944 37.946 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.493 36.288 -4.604 1.00 0.00 H new ATOM 902 N SER A 57 -6.295 33.692 -7.620 1.00 0.00 N ATOM 903 CA SER A 57 -7.667 33.186 -7.737 1.00 0.00 C ATOM 904 C SER A 57 -7.932 31.921 -6.902 1.00 0.00 C ATOM 905 O SER A 57 -8.978 31.823 -6.261 1.00 0.00 O ATOM 906 CB SER A 57 -7.982 32.903 -9.229 1.00 0.00 C ATOM 907 OG SER A 57 -9.350 32.495 -9.468 1.00 0.00 O ATOM 0 H SER A 57 -5.701 33.497 -8.426 1.00 0.00 H new ATOM 0 HA SER A 57 -8.324 33.960 -7.339 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.773 33.800 -9.812 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.311 32.124 -9.591 1.00 0.00 H new ATOM 0 HG SER A 57 -9.481 32.335 -10.426 1.00 0.00 H new ATOM 913 N ASP A 58 -6.924 31.065 -6.703 1.00 0.00 N ATOM 914 CA ASP A 58 -7.001 30.011 -5.675 1.00 0.00 C ATOM 915 C ASP A 58 -7.165 30.529 -4.237 1.00 0.00 C ATOM 916 O ASP A 58 -7.950 29.929 -3.539 1.00 0.00 O ATOM 917 CB ASP A 58 -5.769 29.012 -5.706 1.00 0.00 C ATOM 918 CG ASP A 58 -5.754 28.364 -7.060 1.00 0.00 C ATOM 919 OD1 ASP A 58 -4.648 28.317 -7.594 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.766 27.883 -7.556 1.00 0.00 O ATOM 0 H ASP A 58 -6.052 31.077 -7.232 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.911 29.479 -5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.836 29.546 -5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.863 28.261 -4.922 1.00 0.00 H new ATOM 925 N TYR A 59 -6.432 31.549 -3.811 1.00 0.00 N ATOM 926 CA TYR A 59 -6.748 32.260 -2.536 1.00 0.00 C ATOM 927 C TYR A 59 -8.090 33.047 -2.601 1.00 0.00 C ATOM 928 O TYR A 59 -8.708 33.180 -1.554 1.00 0.00 O ATOM 929 CB TYR A 59 -5.544 33.113 -2.103 1.00 0.00 C ATOM 930 CG TYR A 59 -4.421 32.220 -1.479 1.00 0.00 C ATOM 931 CD1 TYR A 59 -3.191 32.252 -2.031 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.739 31.362 -0.453 1.00 0.00 C ATOM 933 CE1 TYR A 59 -2.187 31.352 -1.583 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.700 30.482 0.042 1.00 0.00 C ATOM 935 CZ TYR A 59 -2.469 30.478 -0.567 1.00 0.00 C ATOM 936 OH TYR A 59 -1.476 29.555 -0.175 1.00 0.00 O ATOM 0 H TYR A 59 -5.620 31.915 -4.308 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.917 31.518 -1.756 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.148 33.653 -2.963 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.865 33.860 -1.377 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.969 32.962 -2.814 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.732 31.345 -0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.209 31.357 -2.040 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.892 29.834 0.884 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.816 29.000 0.557 1.00 0.00 H new ATOM 946 N ASN A 60 -8.540 33.505 -3.789 1.00 0.00 N ATOM 947 CA ASN A 60 -9.643 34.487 -3.942 1.00 0.00 C ATOM 948 C ASN A 60 -9.232 35.848 -3.413 1.00 0.00 C ATOM 949 O ASN A 60 -10.008 36.462 -2.692 1.00 0.00 O ATOM 950 CB ASN A 60 -11.090 34.108 -3.359 1.00 0.00 C ATOM 951 CG ASN A 60 -11.578 32.842 -4.104 1.00 0.00 C ATOM 952 OD1 ASN A 60 -11.803 31.784 -3.491 1.00 0.00 O ATOM 953 ND2 ASN A 60 -12.054 32.947 -5.337 1.00 0.00 N ATOM 0 H ASN A 60 -8.146 33.202 -4.680 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.792 34.487 -5.022 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.034 33.923 -2.286 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.789 34.931 -3.505 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.582 32.177 -5.747 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.892 33.798 -5.875 1.00 0.00 H new ATOM 960 N ILE A 61 -8.051 36.381 -3.824 1.00 0.00 N ATOM 961 CA ILE A 61 -7.613 37.670 -3.361 1.00 0.00 C ATOM 962 C ILE A 61 -8.122 38.844 -4.291 1.00 0.00 C ATOM 963 O ILE A 61 -7.788 39.014 -5.463 1.00 0.00 O ATOM 964 CB ILE A 61 -6.104 37.758 -3.180 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.702 36.521 -2.270 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.757 39.138 -2.500 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.174 36.494 -1.971 1.00 0.00 C ATOM 0 H ILE A 61 -7.409 35.921 -4.470 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.067 37.790 -2.377 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.554 37.718 -4.120 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.255 36.565 -1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.991 35.595 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.678 39.215 -2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.102 39.954 -3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.251 39.200 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.941 35.632 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.621 36.423 -2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.889 37.408 -1.450 1.00 0.00 H new ATOM 979 N GLN A 62 -8.980 39.621 -3.664 1.00 0.00 N ATOM 980 CA GLN A 62 -9.664 40.767 -4.298 1.00 0.00 C ATOM 981 C GLN A 62 -8.700 41.897 -4.725 1.00 0.00 C ATOM 982 O GLN A 62 -7.582 42.021 -4.267 1.00 0.00 O ATOM 983 CB GLN A 62 -10.767 41.359 -3.375 1.00 0.00 C ATOM 984 CG GLN A 62 -11.852 40.285 -2.925 1.00 0.00 C ATOM 985 CD GLN A 62 -12.206 39.399 -4.108 1.00 0.00 C ATOM 986 OE1 GLN A 62 -12.608 39.871 -5.150 1.00 0.00 O ATOM 987 NE2 GLN A 62 -11.971 38.105 -3.975 1.00 0.00 N ATOM 0 H GLN A 62 -9.237 39.486 -2.686 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.121 40.360 -5.200 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.299 41.786 -2.488 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.268 42.175 -3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.463 39.679 -2.107 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.745 40.788 -2.553 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.633 37.737 -3.086 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.128 37.475 -4.762 1.00 0.00 H new ATOM 996 N LYS A 63 -9.107 42.711 -5.712 1.00 0.00 N ATOM 997 CA LYS A 63 -8.279 43.922 -6.030 1.00 0.00 C ATOM 998 C LYS A 63 -7.989 44.908 -4.897 1.00 0.00 C ATOM 999 O LYS A 63 -8.746 45.024 -3.922 1.00 0.00 O ATOM 1000 CB LYS A 63 -8.837 44.744 -7.218 1.00 0.00 C ATOM 1001 CG LYS A 63 -10.214 45.440 -6.942 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.286 46.759 -7.770 1.00 0.00 C ATOM 1003 CE LYS A 63 -11.705 47.414 -7.719 1.00 0.00 C ATOM 1004 NZ LYS A 63 -11.970 48.193 -6.467 1.00 0.00 N ATOM 0 H LYS A 63 -9.945 42.582 -6.280 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.333 43.439 -6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.107 45.507 -7.489 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.944 44.085 -8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.034 44.777 -7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.321 45.656 -5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.548 47.465 -7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.022 46.550 -8.807 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.820 48.075 -8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.459 46.632 -7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.751 48.859 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.228 47.540 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.115 48.721 -6.199 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.890 45.685 -5.014 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.488 46.646 -4.032 1.00 0.00 C ATOM 1020 C GLU A 64 -6.189 46.111 -2.618 1.00 0.00 C ATOM 1021 O GLU A 64 -6.242 46.863 -1.667 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.452 47.898 -4.082 1.00 0.00 C ATOM 1023 CG GLU A 64 -7.576 48.470 -5.556 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.705 49.538 -5.674 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.841 49.310 -5.222 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -8.409 50.612 -6.285 1.00 0.00 O ATOM 0 H GLU A 64 -6.264 45.641 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.488 46.971 -4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.439 47.615 -3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.076 48.676 -3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.626 48.912 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.777 47.651 -6.247 1.00 0.00 H new ATOM 1033 N SER A 65 -5.678 44.866 -2.459 1.00 0.00 N ATOM 1034 CA SER A 65 -5.713 44.195 -1.146 1.00 0.00 C ATOM 1035 C SER A 65 -4.311 44.112 -0.535 1.00 0.00 C ATOM 1036 O SER A 65 -3.331 43.865 -1.236 1.00 0.00 O ATOM 1037 CB SER A 65 -6.119 42.711 -1.307 1.00 0.00 C ATOM 1038 OG SER A 65 -7.494 42.493 -1.727 1.00 0.00 O ATOM 0 H SER A 65 -5.248 44.321 -3.206 1.00 0.00 H new ATOM 0 HA SER A 65 -6.409 44.769 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.454 42.245 -2.034 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.960 42.201 -0.357 1.00 0.00 H new ATOM 0 HG SER A 65 -7.552 42.555 -2.703 1.00 0.00 H new ATOM 1044 N THR A 66 -4.175 44.319 0.805 1.00 0.00 N ATOM 1045 CA THR A 66 -2.858 44.506 1.388 1.00 0.00 C ATOM 1046 C THR A 66 -2.248 43.198 1.972 1.00 0.00 C ATOM 1047 O THR A 66 -2.735 42.730 2.992 1.00 0.00 O ATOM 1048 CB THR A 66 -2.764 45.628 2.487 1.00 0.00 C ATOM 1049 OG1 THR A 66 -3.176 46.866 1.906 1.00 0.00 O ATOM 1050 CG2 THR A 66 -1.257 45.730 3.064 1.00 0.00 C ATOM 0 H THR A 66 -4.950 44.356 1.467 1.00 0.00 H new ATOM 0 HA THR A 66 -2.275 44.834 0.527 1.00 0.00 H new ATOM 0 HB THR A 66 -3.418 45.385 3.325 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.125 47.576 2.579 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.210 46.511 3.823 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.972 44.776 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.572 45.972 2.252 1.00 0.00 H new ATOM 1058 N LEU A 67 -1.216 42.646 1.310 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.450 41.497 1.731 1.00 0.00 C ATOM 1060 C LEU A 67 0.734 42.038 2.548 1.00 0.00 C ATOM 1061 O LEU A 67 1.072 43.202 2.486 1.00 0.00 O ATOM 1062 CB LEU A 67 0.071 40.774 0.420 1.00 0.00 C ATOM 1063 CG LEU A 67 -0.992 39.805 -0.239 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.113 40.647 -0.942 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -0.364 38.772 -1.213 1.00 0.00 C ATOM 0 H LEU A 67 -0.889 43.023 0.420 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.029 40.793 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.362 41.530 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.968 40.204 0.663 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.433 39.215 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.843 39.975 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.609 41.279 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.667 41.272 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.149 38.140 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.145 39.297 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.353 38.153 -0.674 1.00 0.00 H new ATOM 1077 N HIS A 68 1.396 41.106 3.237 1.00 0.00 N ATOM 1078 CA HIS A 68 2.585 41.375 3.990 1.00 0.00 C ATOM 1079 C HIS A 68 3.743 40.507 3.544 1.00 0.00 C ATOM 1080 O HIS A 68 3.588 39.444 2.978 1.00 0.00 O ATOM 1081 CB HIS A 68 2.289 41.130 5.504 1.00 0.00 C ATOM 1082 CG HIS A 68 1.835 42.314 6.277 1.00 0.00 C ATOM 1083 ND1 HIS A 68 0.713 43.042 5.936 1.00 0.00 N ATOM 1084 CD2 HIS A 68 2.308 42.961 7.422 1.00 0.00 C ATOM 1085 CE1 HIS A 68 0.565 44.022 6.819 1.00 0.00 C ATOM 1086 NE2 HIS A 68 1.523 44.027 7.757 1.00 0.00 N ATOM 0 H HIS A 68 1.101 40.130 3.277 1.00 0.00 H new ATOM 0 HA HIS A 68 2.873 42.413 3.821 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.527 40.354 5.584 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.193 40.739 5.972 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.185 42.656 7.973 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.242 44.739 6.785 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.638 44.674 8.537 1.00 0.00 H new ATOM 1094 N LEU A 69 4.934 41.038 3.859 1.00 0.00 N ATOM 1095 CA LEU A 69 6.241 40.408 3.605 1.00 0.00 C ATOM 1096 C LEU A 69 6.905 40.206 4.958 1.00 0.00 C ATOM 1097 O LEU A 69 6.857 41.054 5.840 1.00 0.00 O ATOM 1098 CB LEU A 69 7.096 41.293 2.620 1.00 0.00 C ATOM 1099 CG LEU A 69 8.558 40.756 2.299 1.00 0.00 C ATOM 1100 CD1 LEU A 69 8.446 39.689 1.195 1.00 0.00 C ATOM 1101 CD2 LEU A 69 9.550 41.915 1.820 1.00 0.00 C ATOM 0 H LEU A 69 5.018 41.948 4.313 1.00 0.00 H new ATOM 0 HA LEU A 69 6.137 39.442 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.550 41.389 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.182 42.294 3.043 1.00 0.00 H new ATOM 0 HG LEU A 69 8.976 40.340 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.438 39.305 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.814 38.871 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.006 40.134 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.533 41.491 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.158 42.378 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.636 42.667 2.604 1.00 0.00 H new ATOM 1113 N VAL A 70 7.578 39.042 5.137 1.00 0.00 N ATOM 1114 CA VAL A 70 8.573 38.846 6.188 1.00 0.00 C ATOM 1115 C VAL A 70 9.759 38.058 5.570 1.00 0.00 C ATOM 1116 O VAL A 70 9.638 37.456 4.511 1.00 0.00 O ATOM 1117 CB VAL A 70 7.952 38.185 7.458 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.876 36.638 7.406 1.00 0.00 C ATOM 1119 CG2 VAL A 70 8.752 38.601 8.725 1.00 0.00 C ATOM 0 H VAL A 70 7.436 38.220 4.549 1.00 0.00 H new ATOM 0 HA VAL A 70 8.951 39.801 6.552 1.00 0.00 H new ATOM 0 HB VAL A 70 6.926 38.550 7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.432 36.264 8.329 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.263 36.332 6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.880 36.228 7.295 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.309 38.134 9.605 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.788 38.276 8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.721 39.685 8.836 1.00 0.00 H new