USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 795 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 32 LYS NZ :NH3+ -105:sc= -0.0923 (180deg=0) USER MOD Set 1.2: A 35 GLN : amide:sc= -4.13! C(o=-4.2!,f=-6.8!) USER MOD Set 2.1: A 23 HIS : no HE2:sc= -0.203 K(o=-0.41,f=-2.2) USER MOD Set 2.2: A 24 HIS : no HD1:sc= -0.205 X(o=-0.41,f=-0.38) USER MOD Single : A 1 SER N :NH3+ 131:sc= 0.092 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00457 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -155:sc= -0.103 (180deg=-0.613) USER MOD Single : A 11 SER OG : rot -90:sc= -1.16! USER MOD Single : A 14 CYS SG : rot 161:sc= -2.4 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00319 USER MOD Single : A 25 THR OG1 : rot 79:sc= -2.7! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.56! K(o=-2.6!,f=-0.97) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -116:sc= -0.0929 (180deg=-2.25!) USER MOD Single : A 44 HIS : no HD1:sc= -13.8! C(o=-14!,f=-12!) USER MOD Single : A 48 ASN : amide:sc= -3.28 K(o=-3.3,f=-7.3!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.206 USER MOD Single : A 55 MET CE :methyl -125:sc= -18.7! (180deg=-19.9!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -139:sc= -0.304 USER MOD Single : A 67 TYR OH : rot 6:sc= -4.69! USER MOD Single : A 68 LYS NZ :NH3+ -141:sc= -0.769 (180deg=-3.6!) USER MOD Single : A 69 GLN : amide:sc= -3.09! C(o=-3.1!,f=-5.1!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -3.21 K(o=-3.2,f=-4.3!) USER MOD Single : A 77 MET CE :methyl -110:sc= -10.7! (180deg=-15.1!) USER MOD Single : A 80 CYS SG : rot 169:sc= -9.06! USER MOD Single : A 83 SER OG : rot 160:sc= 0.935 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -9.47! C(o=-9.5!,f=-14!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.890 -17.192 1.132 1.00 0.00 N ATOM 2 CA SER A 1 -10.131 -15.893 0.530 1.00 0.00 C ATOM 3 C SER A 1 -8.922 -14.981 0.749 1.00 0.00 C ATOM 4 O SER A 1 -8.172 -15.159 1.708 1.00 0.00 O ATOM 5 CB SER A 1 -11.394 -15.245 1.103 1.00 0.00 C ATOM 6 OG SER A 1 -12.516 -16.122 1.047 1.00 0.00 O ATOM 0 H1 SER A 1 -10.708 -17.461 1.715 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.750 -17.901 0.384 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.039 -17.146 1.729 1.00 0.00 H new ATOM 0 HA SER A 1 -10.281 -16.036 -0.540 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.214 -14.952 2.137 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.618 -14.334 0.548 1.00 0.00 H new ATOM 0 HG SER A 1 -13.301 -15.673 1.423 1.00 0.00 H new ATOM 11 N LEU A 2 -8.769 -14.027 -0.156 1.00 0.00 N ATOM 12 CA LEU A 2 -7.663 -13.087 -0.073 1.00 0.00 C ATOM 13 C LEU A 2 -6.342 -13.856 -0.131 1.00 0.00 C ATOM 14 O LEU A 2 -6.203 -14.906 0.494 1.00 0.00 O ATOM 15 CB LEU A 2 -7.805 -12.200 1.165 1.00 0.00 C ATOM 16 CG LEU A 2 -6.684 -11.184 1.394 1.00 0.00 C ATOM 17 CD1 LEU A 2 -6.815 -9.998 0.436 1.00 0.00 C ATOM 18 CD2 LEU A 2 -6.639 -10.737 2.856 1.00 0.00 C ATOM 0 H LEU A 2 -9.392 -13.884 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.675 -12.408 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.749 -11.660 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.871 -12.843 2.043 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.733 -11.670 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.006 -9.291 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.759 -10.354 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.773 -9.504 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.833 -10.015 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.589 -10.275 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.462 -11.602 3.496 1.00 0.00 H new ATOM 29 N GLY A 3 -5.405 -13.303 -0.887 1.00 0.00 N ATOM 30 CA GLY A 3 -4.099 -13.923 -1.034 1.00 0.00 C ATOM 31 C GLY A 3 -3.028 -13.135 -0.277 1.00 0.00 C ATOM 32 O GLY A 3 -3.288 -12.610 0.805 1.00 0.00 O ATOM 0 H GLY A 3 -5.524 -12.432 -1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.134 -14.946 -0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.836 -13.978 -2.090 1.00 0.00 H new ATOM 36 N ILE A 4 -1.848 -13.075 -0.876 1.00 0.00 N ATOM 37 CA ILE A 4 -0.738 -12.360 -0.272 1.00 0.00 C ATOM 38 C ILE A 4 0.548 -12.685 -1.035 1.00 0.00 C ATOM 39 O ILE A 4 0.769 -13.830 -1.428 1.00 0.00 O ATOM 40 CB ILE A 4 -0.657 -12.662 1.226 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.424 -11.382 2.031 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.407 -13.722 1.515 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.503 -10.423 1.281 1.00 0.00 C ATOM 0 H ILE A 4 -1.637 -13.510 -1.774 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.892 -11.284 -0.349 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.615 -13.073 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.378 -10.893 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.011 -11.631 2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.444 -13.918 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.157 -14.642 0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.379 -13.363 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.652 -9.522 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.464 -10.907 1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.054 -10.157 0.324 1.00 0.00 H new ATOM 54 N ASP A 5 1.364 -11.658 -1.221 1.00 0.00 N ATOM 55 CA ASP A 5 2.622 -11.820 -1.930 1.00 0.00 C ATOM 56 C ASP A 5 3.619 -10.769 -1.437 1.00 0.00 C ATOM 57 O ASP A 5 3.247 -9.624 -1.188 1.00 0.00 O ATOM 58 CB ASP A 5 2.435 -11.625 -3.436 1.00 0.00 C ATOM 59 CG ASP A 5 2.983 -12.757 -4.307 1.00 0.00 C ATOM 60 OD1 ASP A 5 2.757 -13.943 -4.029 1.00 0.00 O ATOM 61 OD2 ASP A 5 3.678 -12.374 -5.324 1.00 0.00 O ATOM 0 H ASP A 5 1.178 -10.710 -0.893 1.00 0.00 H new ATOM 0 HA ASP A 5 2.989 -12.829 -1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.371 -11.510 -3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.919 -10.694 -3.730 1.00 0.00 H new ATOM 66 N MET A 6 4.867 -11.197 -1.310 1.00 0.00 N ATOM 67 CA MET A 6 5.919 -10.307 -0.852 1.00 0.00 C ATOM 68 C MET A 6 7.196 -10.496 -1.676 1.00 0.00 C ATOM 69 O MET A 6 7.564 -11.622 -2.005 1.00 0.00 O ATOM 70 CB MET A 6 6.219 -10.587 0.622 1.00 0.00 C ATOM 71 CG MET A 6 5.074 -10.104 1.515 1.00 0.00 C ATOM 72 SD MET A 6 5.125 -10.950 3.085 1.00 0.00 S ATOM 73 CE MET A 6 4.249 -12.446 2.660 1.00 0.00 C ATOM 0 H MET A 6 5.172 -12.148 -1.516 1.00 0.00 H new ATOM 0 HA MET A 6 5.578 -9.279 -0.975 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.374 -11.656 0.769 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.145 -10.089 0.910 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.152 -9.028 1.670 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.118 -10.287 1.025 1.00 0.00 H new ATOM 0 HE1 MET A 6 4.189 -13.094 3.535 1.00 0.00 H new ATOM 0 HE2 MET A 6 3.243 -12.196 2.325 1.00 0.00 H new ATOM 0 HE3 MET A 6 4.779 -12.964 1.861 1.00 0.00 H new ATOM 81 N ASN A 7 7.832 -9.377 -1.987 1.00 0.00 N ATOM 82 CA ASN A 7 9.057 -9.405 -2.767 1.00 0.00 C ATOM 83 C ASN A 7 9.995 -8.300 -2.275 1.00 0.00 C ATOM 84 O ASN A 7 9.548 -7.321 -1.681 1.00 0.00 O ATOM 85 CB ASN A 7 8.772 -9.159 -4.250 1.00 0.00 C ATOM 86 CG ASN A 7 9.184 -10.367 -5.095 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.399 -11.260 -5.370 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.453 -10.343 -5.491 1.00 0.00 N ATOM 0 H ASN A 7 7.522 -8.445 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 7 9.511 -10.388 -2.646 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.710 -8.957 -4.391 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.313 -8.274 -4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.824 -11.103 -6.061 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.056 -9.564 -5.225 1.00 0.00 H new ATOM 94 N VAL A 8 11.279 -8.496 -2.542 1.00 0.00 N ATOM 95 CA VAL A 8 12.283 -7.528 -2.134 1.00 0.00 C ATOM 96 C VAL A 8 13.108 -7.111 -3.353 1.00 0.00 C ATOM 97 O VAL A 8 13.324 -7.910 -4.263 1.00 0.00 O ATOM 98 CB VAL A 8 13.137 -8.105 -1.003 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.566 -8.377 -1.478 1.00 0.00 C ATOM 100 CG2 VAL A 8 13.130 -7.180 0.216 1.00 0.00 C ATOM 0 H VAL A 8 11.646 -9.310 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 8 11.809 -6.629 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 8 12.698 -9.057 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.151 -8.787 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.546 -9.092 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.020 -7.446 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.744 -7.613 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.532 -6.206 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.108 -7.060 0.576 1.00 0.00 H new ATOM 110 N LYS A 9 13.547 -5.862 -3.331 1.00 0.00 N ATOM 111 CA LYS A 9 14.344 -5.329 -4.424 1.00 0.00 C ATOM 112 C LYS A 9 15.181 -4.155 -3.913 1.00 0.00 C ATOM 113 O LYS A 9 14.653 -3.073 -3.661 1.00 0.00 O ATOM 114 CB LYS A 9 13.451 -4.975 -5.616 1.00 0.00 C ATOM 115 CG LYS A 9 13.268 -6.181 -6.540 1.00 0.00 C ATOM 116 CD LYS A 9 11.802 -6.616 -6.590 1.00 0.00 C ATOM 117 CE LYS A 9 11.535 -7.502 -7.808 1.00 0.00 C ATOM 118 NZ LYS A 9 11.702 -6.730 -9.059 1.00 0.00 N ATOM 0 H LYS A 9 13.366 -5.203 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 9 15.041 -6.083 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.479 -4.635 -5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.893 -4.149 -6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.611 -5.930 -7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.885 -7.009 -6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.548 -7.158 -5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.159 -5.737 -6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.219 -8.351 -7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.524 -7.906 -7.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.137 -7.167 -9.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.381 -5.752 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.705 -6.727 -9.334 1.00 0.00 H new ATOM 127 N GLU A 10 16.475 -4.408 -3.776 1.00 0.00 N ATOM 128 CA GLU A 10 17.391 -3.387 -3.299 1.00 0.00 C ATOM 129 C GLU A 10 17.059 -3.007 -1.855 1.00 0.00 C ATOM 130 O GLU A 10 17.935 -2.582 -1.105 1.00 0.00 O ATOM 131 CB GLU A 10 17.362 -2.157 -4.210 1.00 0.00 C ATOM 132 CG GLU A 10 17.970 -0.941 -3.508 1.00 0.00 C ATOM 133 CD GLU A 10 18.773 -0.086 -4.491 1.00 0.00 C ATOM 134 OE1 GLU A 10 18.406 0.012 -5.671 1.00 0.00 O ATOM 135 OE2 GLU A 10 19.813 0.490 -3.990 1.00 0.00 O ATOM 0 H GLU A 10 16.910 -5.306 -3.987 1.00 0.00 H new ATOM 0 HA GLU A 10 18.402 -3.794 -3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.914 -2.366 -5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.334 -1.938 -4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.178 -0.341 -3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.617 -1.271 -2.695 1.00 0.00 H new ATOM 141 N SER A 11 15.791 -3.175 -1.509 1.00 0.00 N ATOM 142 CA SER A 11 15.332 -2.855 -0.169 1.00 0.00 C ATOM 143 C SER A 11 13.820 -2.623 -0.174 1.00 0.00 C ATOM 144 O SER A 11 13.213 -2.441 0.880 1.00 0.00 O ATOM 145 CB SER A 11 16.056 -1.625 0.383 1.00 0.00 C ATOM 146 OG SER A 11 16.677 -0.864 -0.650 1.00 0.00 O ATOM 0 H SER A 11 15.067 -3.529 -2.134 1.00 0.00 H new ATOM 0 HA SER A 11 15.561 -3.700 0.481 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.345 -0.996 0.920 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.810 -1.941 1.104 1.00 0.00 H new ATOM 0 HG SER A 11 17.594 -1.182 -0.785 1.00 0.00 H new ATOM 151 N VAL A 12 13.256 -2.637 -1.372 1.00 0.00 N ATOM 152 CA VAL A 12 11.825 -2.431 -1.528 1.00 0.00 C ATOM 153 C VAL A 12 11.100 -3.767 -1.354 1.00 0.00 C ATOM 154 O VAL A 12 11.395 -4.734 -2.054 1.00 0.00 O ATOM 155 CB VAL A 12 11.538 -1.765 -2.876 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.820 -2.725 -4.034 1.00 0.00 C ATOM 157 CG2 VAL A 12 10.100 -1.245 -2.934 1.00 0.00 C ATOM 0 H VAL A 12 13.763 -2.788 -2.244 1.00 0.00 H new ATOM 0 HA VAL A 12 11.449 -1.756 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 12 12.209 -0.912 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.608 -2.226 -4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.867 -3.027 -4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.186 -3.607 -3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.921 -0.776 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.407 -2.076 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.946 -0.512 -2.142 1.00 0.00 H new ATOM 167 N LEU A 13 10.165 -3.777 -0.416 1.00 0.00 N ATOM 168 CA LEU A 13 9.394 -4.978 -0.140 1.00 0.00 C ATOM 169 C LEU A 13 8.048 -4.891 -0.862 1.00 0.00 C ATOM 170 O LEU A 13 7.134 -4.212 -0.398 1.00 0.00 O ATOM 171 CB LEU A 13 9.271 -5.200 1.368 1.00 0.00 C ATOM 172 CG LEU A 13 9.905 -4.130 2.258 1.00 0.00 C ATOM 173 CD1 LEU A 13 8.877 -3.070 2.660 1.00 0.00 C ATOM 174 CD2 LEU A 13 10.583 -4.761 3.476 1.00 0.00 C ATOM 0 H LEU A 13 9.923 -2.973 0.163 1.00 0.00 H new ATOM 0 HA LEU A 13 9.907 -5.858 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.213 -5.273 1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.723 -6.161 1.612 1.00 0.00 H new ATOM 0 HG LEU A 13 10.681 -3.624 1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.354 -2.322 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.481 -2.590 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.063 -3.543 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.026 -3.978 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.844 -5.309 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.363 -5.446 3.144 1.00 0.00 H new ATOM 185 N CYS A 14 7.968 -5.590 -1.985 1.00 0.00 N ATOM 186 CA CYS A 14 6.749 -5.601 -2.775 1.00 0.00 C ATOM 187 C CYS A 14 5.712 -6.457 -2.046 1.00 0.00 C ATOM 188 O CYS A 14 6.006 -7.578 -1.634 1.00 0.00 O ATOM 189 CB CYS A 14 7.002 -6.100 -4.198 1.00 0.00 C ATOM 190 SG CYS A 14 8.740 -5.780 -4.675 1.00 0.00 S ATOM 0 H CYS A 14 8.728 -6.153 -2.366 1.00 0.00 H new ATOM 0 HA CYS A 14 6.371 -4.584 -2.879 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.790 -7.167 -4.261 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.328 -5.599 -4.893 1.00 0.00 H new ATOM 0 HG CYS A 14 9.061 -6.539 -5.680 1.00 0.00 H new ATOM 195 N ILE A 15 4.519 -5.896 -1.909 1.00 0.00 N ATOM 196 CA ILE A 15 3.437 -6.594 -1.235 1.00 0.00 C ATOM 197 C ILE A 15 2.252 -6.730 -2.194 1.00 0.00 C ATOM 198 O ILE A 15 1.454 -5.805 -2.336 1.00 0.00 O ATOM 199 CB ILE A 15 3.087 -5.897 0.080 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.926 -6.450 1.234 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.586 -5.990 0.367 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.418 -6.405 0.897 1.00 0.00 C ATOM 0 H ILE A 15 4.278 -4.967 -2.253 1.00 0.00 H new ATOM 0 HA ILE A 15 3.745 -7.603 -0.961 1.00 0.00 H new ATOM 0 HB ILE A 15 3.332 -4.839 -0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.736 -5.870 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.628 -7.477 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.364 -5.487 1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.031 -5.512 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.293 -7.038 0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.992 -6.804 1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.608 -7.005 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.718 -5.374 0.710 1.00 0.00 H new ATOM 213 N ARG A 16 2.173 -7.892 -2.825 1.00 0.00 N ATOM 214 CA ARG A 16 1.099 -8.163 -3.766 1.00 0.00 C ATOM 215 C ARG A 16 -0.052 -8.886 -3.063 1.00 0.00 C ATOM 216 O ARG A 16 0.052 -10.071 -2.754 1.00 0.00 O ATOM 217 CB ARG A 16 1.592 -9.018 -4.934 1.00 0.00 C ATOM 218 CG ARG A 16 1.295 -8.341 -6.274 1.00 0.00 C ATOM 219 CD ARG A 16 2.557 -8.245 -7.133 1.00 0.00 C ATOM 220 NE ARG A 16 2.197 -7.906 -8.527 1.00 0.00 N ATOM 221 CZ ARG A 16 3.030 -8.047 -9.580 1.00 0.00 C ATOM 222 NH1 ARG A 16 4.281 -8.523 -9.404 1.00 0.00 N ATOM 223 NH2 ARG A 16 2.602 -7.713 -10.784 1.00 0.00 N ATOM 0 H ARG A 16 2.836 -8.658 -2.703 1.00 0.00 H new ATOM 0 HA ARG A 16 0.749 -7.206 -4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.664 -9.187 -4.838 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.111 -9.996 -4.902 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.530 -8.904 -6.808 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.893 -7.343 -6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.226 -7.486 -6.727 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.096 -9.192 -7.108 1.00 0.00 H new ATOM 0 HE ARG A 16 1.260 -7.543 -8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.603 -8.779 -8.470 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.905 -8.627 -10.205 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.655 -7.355 -10.907 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.218 -7.813 -11.590 1.00 0.00 H new ATOM 233 N LEU A 17 -1.123 -8.141 -2.831 1.00 0.00 N ATOM 234 CA LEU A 17 -2.292 -8.695 -2.171 1.00 0.00 C ATOM 235 C LEU A 17 -3.351 -9.035 -3.220 1.00 0.00 C ATOM 236 O LEU A 17 -3.689 -8.201 -4.059 1.00 0.00 O ATOM 237 CB LEU A 17 -2.789 -7.747 -1.077 1.00 0.00 C ATOM 238 CG LEU A 17 -2.881 -8.337 0.331 1.00 0.00 C ATOM 239 CD1 LEU A 17 -3.332 -9.799 0.286 1.00 0.00 C ATOM 240 CD2 LEU A 17 -1.558 -8.169 1.083 1.00 0.00 C ATOM 0 H LEU A 17 -1.205 -7.158 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.038 -9.625 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.126 -6.882 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.776 -7.382 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.640 -7.783 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.389 -10.194 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.314 -9.863 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.615 -10.383 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.650 -8.597 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.764 -8.681 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.317 -7.109 1.163 1.00 0.00 H new ATOM 251 N THR A 18 -3.847 -10.261 -3.139 1.00 0.00 N ATOM 252 CA THR A 18 -4.862 -10.721 -4.071 1.00 0.00 C ATOM 253 C THR A 18 -6.081 -11.251 -3.314 1.00 0.00 C ATOM 254 O THR A 18 -5.995 -12.265 -2.623 1.00 0.00 O ATOM 255 CB THR A 18 -4.221 -11.760 -4.994 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.309 -12.458 -4.149 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.328 -11.124 -6.061 1.00 0.00 C ATOM 0 H THR A 18 -3.565 -10.950 -2.442 1.00 0.00 H new ATOM 0 HA THR A 18 -5.233 -9.902 -4.687 1.00 0.00 H new ATOM 0 HB THR A 18 -5.002 -12.347 -5.478 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.850 -13.153 -4.666 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.898 -11.905 -6.689 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.922 -10.449 -6.677 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.527 -10.564 -5.578 1.00 0.00 H new ATOM 265 N GLY A 19 -7.190 -10.542 -3.470 1.00 0.00 N ATOM 266 CA GLY A 19 -8.425 -10.928 -2.810 1.00 0.00 C ATOM 267 C GLY A 19 -9.366 -9.731 -2.664 1.00 0.00 C ATOM 268 O GLY A 19 -9.790 -9.145 -3.659 1.00 0.00 O ATOM 0 H GLY A 19 -7.258 -9.702 -4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.917 -11.714 -3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.202 -11.342 -1.827 1.00 0.00 H new ATOM 272 N GLU A 20 -9.666 -9.403 -1.416 1.00 0.00 N ATOM 273 CA GLU A 20 -10.550 -8.286 -1.127 1.00 0.00 C ATOM 274 C GLU A 20 -9.842 -7.266 -0.234 1.00 0.00 C ATOM 275 O GLU A 20 -8.841 -7.585 0.407 1.00 0.00 O ATOM 276 CB GLU A 20 -11.851 -8.769 -0.483 1.00 0.00 C ATOM 277 CG GLU A 20 -12.995 -8.779 -1.498 1.00 0.00 C ATOM 278 CD GLU A 20 -13.157 -10.164 -2.130 1.00 0.00 C ATOM 279 OE1 GLU A 20 -12.275 -10.610 -2.879 1.00 0.00 O ATOM 280 OE2 GLU A 20 -14.244 -10.782 -1.816 1.00 0.00 O ATOM 0 H GLU A 20 -9.313 -9.891 -0.593 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.808 -7.799 -2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.710 -9.771 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.109 -8.121 0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.924 -8.489 -1.007 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.802 -8.041 -2.276 1.00 0.00 H new ATOM 286 N LEU A 21 -10.388 -6.060 -0.220 1.00 0.00 N ATOM 287 CA LEU A 21 -9.820 -4.990 0.583 1.00 0.00 C ATOM 288 C LEU A 21 -10.854 -4.529 1.613 1.00 0.00 C ATOM 289 O LEU A 21 -11.549 -3.536 1.399 1.00 0.00 O ATOM 290 CB LEU A 21 -9.300 -3.864 -0.312 1.00 0.00 C ATOM 291 CG LEU A 21 -7.782 -3.794 -0.488 1.00 0.00 C ATOM 292 CD1 LEU A 21 -7.062 -4.336 0.748 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.344 -4.511 -1.766 1.00 0.00 C ATOM 0 H LEU A 21 -11.218 -5.799 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.953 -5.349 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.755 -3.970 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.643 -2.914 0.097 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.498 -2.747 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.984 -4.275 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.340 -3.744 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.348 -5.376 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.261 -4.446 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.642 -5.558 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.817 -4.040 -2.628 1.00 0.00 H new ATOM 304 N ASP A 22 -10.923 -5.271 2.709 1.00 0.00 N ATOM 305 CA ASP A 22 -11.860 -4.951 3.772 1.00 0.00 C ATOM 306 C ASP A 22 -11.202 -5.224 5.125 1.00 0.00 C ATOM 307 O ASP A 22 -10.082 -5.731 5.184 1.00 0.00 O ATOM 308 CB ASP A 22 -13.120 -5.813 3.675 1.00 0.00 C ATOM 309 CG ASP A 22 -12.866 -7.301 3.421 1.00 0.00 C ATOM 310 OD1 ASP A 22 -11.796 -7.832 3.753 1.00 0.00 O ATOM 311 OD2 ASP A 22 -13.837 -7.929 2.848 1.00 0.00 O ATOM 0 H ASP A 22 -10.345 -6.093 2.883 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.135 -3.901 3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.686 -5.709 4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.747 -5.424 2.873 1.00 0.00 H new ATOM 316 N HIS A 23 -11.925 -4.878 6.180 1.00 0.00 N ATOM 317 CA HIS A 23 -11.425 -5.080 7.529 1.00 0.00 C ATOM 318 C HIS A 23 -10.856 -6.494 7.659 1.00 0.00 C ATOM 319 O HIS A 23 -9.978 -6.741 8.486 1.00 0.00 O ATOM 320 CB HIS A 23 -12.514 -4.783 8.562 1.00 0.00 C ATOM 321 CG HIS A 23 -13.418 -5.957 8.856 1.00 0.00 C ATOM 322 ND1 HIS A 23 -13.246 -6.777 9.957 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.504 -6.435 8.183 1.00 0.00 C ATOM 324 CE1 HIS A 23 -14.192 -7.706 9.936 1.00 0.00 C ATOM 325 NE2 HIS A 23 -14.969 -7.493 8.836 1.00 0.00 N ATOM 0 H HIS A 23 -12.853 -4.459 6.128 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.614 -4.379 7.729 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.042 -4.460 9.490 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.121 -3.950 8.206 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -12.517 -6.683 10.664 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.915 -6.023 7.274 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.324 -8.494 10.663 1.00 0.00 H new ATOM 332 N HIS A 24 -11.377 -7.386 6.830 1.00 0.00 N ATOM 333 CA HIS A 24 -10.931 -8.769 6.840 1.00 0.00 C ATOM 334 C HIS A 24 -9.533 -8.863 6.226 1.00 0.00 C ATOM 335 O HIS A 24 -8.619 -9.413 6.838 1.00 0.00 O ATOM 336 CB HIS A 24 -11.948 -9.673 6.141 1.00 0.00 C ATOM 337 CG HIS A 24 -13.048 -10.176 7.045 1.00 0.00 C ATOM 338 ND1 HIS A 24 -14.379 -9.843 6.864 1.00 0.00 N ATOM 339 CD2 HIS A 24 -13.000 -10.991 8.138 1.00 0.00 C ATOM 340 CE1 HIS A 24 -15.090 -10.435 7.811 1.00 0.00 C ATOM 341 NE2 HIS A 24 -14.234 -11.145 8.600 1.00 0.00 N ATOM 0 H HIS A 24 -12.105 -7.178 6.146 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.862 -9.125 7.868 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.396 -9.125 5.312 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.425 -10.528 5.713 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.109 -11.435 8.556 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -16.161 -10.367 7.937 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -14.499 -11.703 9.412 1.00 0.00 H new ATOM 348 N THR A 25 -9.412 -8.317 5.025 1.00 0.00 N ATOM 349 CA THR A 25 -8.140 -8.331 4.321 1.00 0.00 C ATOM 350 C THR A 25 -7.220 -7.234 4.859 1.00 0.00 C ATOM 351 O THR A 25 -5.998 -7.373 4.830 1.00 0.00 O ATOM 352 CB THR A 25 -8.427 -8.204 2.824 1.00 0.00 C ATOM 353 OG1 THR A 25 -8.601 -6.805 2.621 1.00 0.00 O ATOM 354 CG2 THR A 25 -9.778 -8.807 2.434 1.00 0.00 C ATOM 0 H THR A 25 -10.173 -7.862 4.521 1.00 0.00 H new ATOM 0 HA THR A 25 -7.607 -9.267 4.486 1.00 0.00 H new ATOM 0 HB THR A 25 -7.634 -8.694 2.260 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.724 -6.368 2.584 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.932 -8.690 1.361 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.791 -9.867 2.689 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.575 -8.294 2.973 1.00 0.00 H new ATOM 362 N ALA A 26 -7.842 -6.166 5.338 1.00 0.00 N ATOM 363 CA ALA A 26 -7.095 -5.045 5.881 1.00 0.00 C ATOM 364 C ALA A 26 -6.362 -5.492 7.147 1.00 0.00 C ATOM 365 O ALA A 26 -5.445 -4.815 7.610 1.00 0.00 O ATOM 366 CB ALA A 26 -8.046 -3.875 6.141 1.00 0.00 C ATOM 0 H ALA A 26 -8.856 -6.054 5.361 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.345 -4.703 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.485 -3.034 6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.520 -3.576 5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.812 -4.180 6.854 1.00 0.00 H new ATOM 372 N GLU A 27 -6.792 -6.630 7.671 1.00 0.00 N ATOM 373 CA GLU A 27 -6.188 -7.176 8.874 1.00 0.00 C ATOM 374 C GLU A 27 -4.793 -7.727 8.565 1.00 0.00 C ATOM 375 O GLU A 27 -3.824 -7.392 9.246 1.00 0.00 O ATOM 376 CB GLU A 27 -7.078 -8.254 9.494 1.00 0.00 C ATOM 377 CG GLU A 27 -7.349 -7.959 10.971 1.00 0.00 C ATOM 378 CD GLU A 27 -8.812 -8.226 11.324 1.00 0.00 C ATOM 379 OE1 GLU A 27 -9.717 -7.746 10.625 1.00 0.00 O ATOM 380 OE2 GLU A 27 -8.996 -8.963 12.367 1.00 0.00 O ATOM 0 H GLU A 27 -7.552 -7.189 7.284 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.087 -6.372 9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.022 -8.308 8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.598 -9.228 9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.702 -8.577 11.594 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.102 -6.920 11.189 1.00 0.00 H new ATOM 386 N THR A 28 -4.737 -8.562 7.539 1.00 0.00 N ATOM 387 CA THR A 28 -3.478 -9.163 7.131 1.00 0.00 C ATOM 388 C THR A 28 -2.373 -8.107 7.087 1.00 0.00 C ATOM 389 O THR A 28 -1.279 -8.325 7.604 1.00 0.00 O ATOM 390 CB THR A 28 -3.701 -9.866 5.790 1.00 0.00 C ATOM 391 OG1 THR A 28 -4.007 -11.211 6.150 1.00 0.00 O ATOM 392 CG2 THR A 28 -2.416 -9.983 4.969 1.00 0.00 C ATOM 0 H THR A 28 -5.543 -8.837 6.977 1.00 0.00 H new ATOM 0 HA THR A 28 -3.144 -9.908 7.853 1.00 0.00 H new ATOM 0 HB THR A 28 -4.450 -9.322 5.215 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.168 -11.738 5.340 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.630 -10.489 4.028 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.023 -8.987 4.764 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.677 -10.556 5.529 1.00 0.00 H new ATOM 400 N LEU A 29 -2.696 -6.983 6.462 1.00 0.00 N ATOM 401 CA LEU A 29 -1.745 -5.892 6.343 1.00 0.00 C ATOM 402 C LEU A 29 -1.491 -5.289 7.727 1.00 0.00 C ATOM 403 O LEU A 29 -0.409 -4.768 7.991 1.00 0.00 O ATOM 404 CB LEU A 29 -2.224 -4.873 5.308 1.00 0.00 C ATOM 405 CG LEU A 29 -1.605 -3.477 5.403 1.00 0.00 C ATOM 406 CD1 LEU A 29 -2.115 -2.735 6.640 1.00 0.00 C ATOM 407 CD2 LEU A 29 -0.078 -3.551 5.368 1.00 0.00 C ATOM 0 H LEU A 29 -3.604 -6.805 6.033 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.788 -6.261 5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.021 -5.272 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.306 -4.776 5.397 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.919 -2.904 4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.660 -1.746 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.199 -2.634 6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.850 -3.296 7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.337 -2.545 5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.277 -4.148 6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.243 -4.012 4.434 1.00 0.00 H new ATOM 418 N LYS A 30 -2.507 -5.382 8.573 1.00 0.00 N ATOM 419 CA LYS A 30 -2.407 -4.852 9.922 1.00 0.00 C ATOM 420 C LYS A 30 -1.094 -5.317 10.552 1.00 0.00 C ATOM 421 O LYS A 30 -0.407 -4.538 11.211 1.00 0.00 O ATOM 422 CB LYS A 30 -3.647 -5.225 10.737 1.00 0.00 C ATOM 423 CG LYS A 30 -3.905 -4.201 11.844 1.00 0.00 C ATOM 424 CD LYS A 30 -3.497 -4.756 13.210 1.00 0.00 C ATOM 425 CE LYS A 30 -2.915 -3.654 14.098 1.00 0.00 C ATOM 426 NZ LYS A 30 -3.600 -3.629 15.410 1.00 0.00 N ATOM 0 H LYS A 30 -3.403 -5.816 8.350 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.383 -3.762 9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.515 -5.282 10.080 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.514 -6.214 11.176 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.347 -3.288 11.637 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.961 -3.933 11.857 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.363 -5.202 13.699 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.761 -5.549 13.079 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.847 -3.821 14.242 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.023 -2.687 13.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.193 -2.876 16.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.614 -3.448 15.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.475 -4.546 15.884 1.00 0.00 H new ATOM 435 N GLN A 31 -0.783 -6.585 10.328 1.00 0.00 N ATOM 436 CA GLN A 31 0.436 -7.164 10.866 1.00 0.00 C ATOM 437 C GLN A 31 1.641 -6.743 10.022 1.00 0.00 C ATOM 438 O GLN A 31 2.755 -6.642 10.532 1.00 0.00 O ATOM 439 CB GLN A 31 0.330 -8.689 10.948 1.00 0.00 C ATOM 440 CG GLN A 31 0.644 -9.334 9.597 1.00 0.00 C ATOM 441 CD GLN A 31 -0.245 -10.554 9.352 1.00 0.00 C ATOM 442 OE1 GLN A 31 0.221 -11.654 9.101 1.00 0.00 O ATOM 443 NE2 GLN A 31 -1.547 -10.300 9.439 1.00 0.00 N ATOM 0 H GLN A 31 -1.355 -7.228 9.781 1.00 0.00 H new ATOM 0 HA GLN A 31 0.577 -6.788 11.879 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.020 -9.065 11.704 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.674 -8.971 11.265 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.496 -8.606 8.799 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.692 -9.631 9.567 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.869 -9.356 9.653 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.224 -11.049 9.292 1.00 0.00 H new ATOM 450 N LYS A 32 1.375 -6.510 8.745 1.00 0.00 N ATOM 451 CA LYS A 32 2.424 -6.103 7.825 1.00 0.00 C ATOM 452 C LYS A 32 2.904 -4.698 8.196 1.00 0.00 C ATOM 453 O LYS A 32 3.897 -4.214 7.655 1.00 0.00 O ATOM 454 CB LYS A 32 1.944 -6.226 6.378 1.00 0.00 C ATOM 455 CG LYS A 32 3.085 -5.947 5.396 1.00 0.00 C ATOM 456 CD LYS A 32 3.975 -7.179 5.224 1.00 0.00 C ATOM 457 CE LYS A 32 5.022 -6.952 4.133 1.00 0.00 C ATOM 458 NZ LYS A 32 6.373 -7.290 4.632 1.00 0.00 N ATOM 0 H LYS A 32 0.449 -6.595 8.326 1.00 0.00 H new ATOM 0 HA LYS A 32 3.284 -6.767 7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.548 -7.227 6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.128 -5.526 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.674 -5.653 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.683 -5.110 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.471 -7.408 6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.361 -8.043 4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.786 -7.563 3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.998 -5.912 3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.903 -6.415 4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.291 -7.840 5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.876 -7.853 3.917 1.00 0.00 H new ATOM 467 N VAL A 33 2.177 -4.082 9.116 1.00 0.00 N ATOM 468 CA VAL A 33 2.516 -2.742 9.566 1.00 0.00 C ATOM 469 C VAL A 33 3.589 -2.831 10.652 1.00 0.00 C ATOM 470 O VAL A 33 4.621 -2.168 10.565 1.00 0.00 O ATOM 471 CB VAL A 33 1.254 -2.011 10.030 1.00 0.00 C ATOM 472 CG1 VAL A 33 1.537 -0.526 10.265 1.00 0.00 C ATOM 473 CG2 VAL A 33 0.112 -2.200 9.029 1.00 0.00 C ATOM 0 H VAL A 33 1.354 -4.486 9.563 1.00 0.00 H new ATOM 0 HA VAL A 33 2.931 -2.156 8.746 1.00 0.00 H new ATOM 0 HB VAL A 33 0.943 -2.447 10.979 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.624 -0.029 10.594 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.305 -0.419 11.031 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.884 -0.070 9.337 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.773 -1.671 9.382 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.409 -1.802 8.059 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.115 -3.262 8.932 1.00 0.00 H new ATOM 483 N THR A 34 3.309 -3.655 11.651 1.00 0.00 N ATOM 484 CA THR A 34 4.238 -3.838 12.753 1.00 0.00 C ATOM 485 C THR A 34 5.615 -4.246 12.228 1.00 0.00 C ATOM 486 O THR A 34 6.636 -3.755 12.707 1.00 0.00 O ATOM 487 CB THR A 34 3.629 -4.858 13.719 1.00 0.00 C ATOM 488 OG1 THR A 34 4.741 -5.315 14.485 1.00 0.00 O ATOM 489 CG2 THR A 34 3.127 -6.113 13.005 1.00 0.00 C ATOM 0 H THR A 34 2.452 -4.203 11.720 1.00 0.00 H new ATOM 0 HA THR A 34 4.396 -2.906 13.297 1.00 0.00 H new ATOM 0 HB THR A 34 2.805 -4.397 14.263 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.437 -5.979 15.139 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.705 -6.803 13.736 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.360 -5.838 12.281 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.957 -6.595 12.489 1.00 0.00 H new ATOM 497 N GLN A 35 5.599 -5.139 11.250 1.00 0.00 N ATOM 498 CA GLN A 35 6.834 -5.619 10.653 1.00 0.00 C ATOM 499 C GLN A 35 7.628 -4.450 10.065 1.00 0.00 C ATOM 500 O GLN A 35 8.845 -4.376 10.230 1.00 0.00 O ATOM 501 CB GLN A 35 6.554 -6.681 9.590 1.00 0.00 C ATOM 502 CG GLN A 35 5.831 -6.074 8.386 1.00 0.00 C ATOM 503 CD GLN A 35 6.829 -5.498 7.380 1.00 0.00 C ATOM 504 OE1 GLN A 35 8.007 -5.815 7.384 1.00 0.00 O ATOM 505 NE2 GLN A 35 6.294 -4.635 6.520 1.00 0.00 N ATOM 0 H GLN A 35 4.750 -5.543 10.856 1.00 0.00 H new ATOM 0 HA GLN A 35 7.435 -6.085 11.434 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.492 -7.132 9.266 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.948 -7.479 10.019 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.220 -6.836 7.902 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.154 -5.289 8.722 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.300 -4.414 6.572 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.878 -4.195 5.809 1.00 0.00 H new ATOM 512 N SER A 36 6.907 -3.567 9.390 1.00 0.00 N ATOM 513 CA SER A 36 7.529 -2.406 8.777 1.00 0.00 C ATOM 514 C SER A 36 7.820 -1.345 9.839 1.00 0.00 C ATOM 515 O SER A 36 8.716 -0.519 9.669 1.00 0.00 O ATOM 516 CB SER A 36 6.641 -1.823 7.675 1.00 0.00 C ATOM 517 OG SER A 36 7.396 -1.437 6.530 1.00 0.00 O ATOM 0 H SER A 36 5.898 -3.632 9.254 1.00 0.00 H new ATOM 0 HA SER A 36 8.468 -2.722 8.322 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.893 -2.560 7.384 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.103 -0.958 8.063 1.00 0.00 H new ATOM 0 HG SER A 36 6.794 -1.072 5.849 1.00 0.00 H new ATOM 522 N LEU A 37 7.045 -1.400 10.914 1.00 0.00 N ATOM 523 CA LEU A 37 7.210 -0.455 12.004 1.00 0.00 C ATOM 524 C LEU A 37 8.681 -0.411 12.420 1.00 0.00 C ATOM 525 O LEU A 37 9.190 0.639 12.810 1.00 0.00 O ATOM 526 CB LEU A 37 6.256 -0.791 13.153 1.00 0.00 C ATOM 527 CG LEU A 37 5.184 0.256 13.463 1.00 0.00 C ATOM 528 CD1 LEU A 37 5.803 1.648 13.610 1.00 0.00 C ATOM 529 CD2 LEU A 37 4.073 0.231 12.411 1.00 0.00 C ATOM 0 H LEU A 37 6.302 -2.085 11.052 1.00 0.00 H new ATOM 0 HA LEU A 37 6.941 0.550 11.679 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.759 -1.733 12.923 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.847 -0.954 14.054 1.00 0.00 H new ATOM 0 HG LEU A 37 4.727 0.004 14.420 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.020 2.373 13.830 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.528 1.640 14.423 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.302 1.924 12.681 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.324 0.984 12.655 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.496 0.444 11.430 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.606 -0.754 12.398 1.00 0.00 H new ATOM 540 N GLU A 38 9.325 -1.566 12.321 1.00 0.00 N ATOM 541 CA GLU A 38 10.729 -1.673 12.682 1.00 0.00 C ATOM 542 C GLU A 38 11.333 -2.946 12.088 1.00 0.00 C ATOM 543 O GLU A 38 11.589 -3.911 12.807 1.00 0.00 O ATOM 544 CB GLU A 38 10.908 -1.638 14.202 1.00 0.00 C ATOM 545 CG GLU A 38 10.903 -0.198 14.721 1.00 0.00 C ATOM 546 CD GLU A 38 9.572 0.136 15.397 1.00 0.00 C ATOM 547 OE1 GLU A 38 8.634 -0.674 15.354 1.00 0.00 O ATOM 548 OE2 GLU A 38 9.532 1.285 15.983 1.00 0.00 O ATOM 0 H GLU A 38 8.900 -2.435 11.996 1.00 0.00 H new ATOM 0 HA GLU A 38 11.258 -0.815 12.267 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.108 -2.203 14.679 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.846 -2.123 14.473 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.720 -0.060 15.430 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.078 0.491 13.895 1.00 0.00 H new ATOM 554 N LYS A 39 11.546 -2.907 10.780 1.00 0.00 N ATOM 555 CA LYS A 39 12.116 -4.047 10.081 1.00 0.00 C ATOM 556 C LYS A 39 13.594 -4.179 10.453 1.00 0.00 C ATOM 557 O LYS A 39 14.062 -5.270 10.772 1.00 0.00 O ATOM 558 CB LYS A 39 11.867 -3.931 8.576 1.00 0.00 C ATOM 559 CG LYS A 39 11.466 -5.281 7.980 1.00 0.00 C ATOM 560 CD LYS A 39 11.961 -5.414 6.539 1.00 0.00 C ATOM 561 CE LYS A 39 13.364 -6.023 6.494 1.00 0.00 C ATOM 562 NZ LYS A 39 13.708 -6.430 5.113 1.00 0.00 N ATOM 0 H LYS A 39 11.334 -2.105 10.187 1.00 0.00 H new ATOM 0 HA LYS A 39 11.626 -4.970 10.391 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.081 -3.199 8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.767 -3.565 8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.880 -6.087 8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.381 -5.386 8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.272 -6.038 5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.971 -4.434 6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.093 -5.299 6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.413 -6.887 7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.830 -7.462 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.943 -6.148 4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.593 -5.966 4.825 1.00 0.00 H new ATOM 571 N ASP A 40 14.288 -3.052 10.398 1.00 0.00 N ATOM 572 CA ASP A 40 15.705 -3.029 10.725 1.00 0.00 C ATOM 573 C ASP A 40 16.315 -1.715 10.232 1.00 0.00 C ATOM 574 O ASP A 40 16.295 -0.712 10.943 1.00 0.00 O ATOM 575 CB ASP A 40 16.446 -4.181 10.042 1.00 0.00 C ATOM 576 CG ASP A 40 16.567 -5.456 10.878 1.00 0.00 C ATOM 577 OD1 ASP A 40 16.247 -6.559 10.411 1.00 0.00 O ATOM 578 OD2 ASP A 40 17.020 -5.283 12.075 1.00 0.00 O ATOM 0 H ASP A 40 13.897 -2.148 10.132 1.00 0.00 H new ATOM 0 HA ASP A 40 15.805 -3.127 11.806 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.933 -4.422 9.111 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.447 -3.842 9.776 1.00 0.00 H new ATOM 583 N ASP A 41 16.843 -1.764 9.017 1.00 0.00 N ATOM 584 CA ASP A 41 17.458 -0.591 8.421 1.00 0.00 C ATOM 585 C ASP A 41 16.366 0.340 7.892 1.00 0.00 C ATOM 586 O ASP A 41 15.569 0.869 8.665 1.00 0.00 O ATOM 587 CB ASP A 41 18.359 -0.979 7.246 1.00 0.00 C ATOM 588 CG ASP A 41 19.088 0.189 6.578 1.00 0.00 C ATOM 589 OD1 ASP A 41 19.125 0.297 5.343 1.00 0.00 O ATOM 590 OD2 ASP A 41 19.643 1.023 7.391 1.00 0.00 O ATOM 0 H ASP A 41 16.857 -2.598 8.430 1.00 0.00 H new ATOM 0 HA ASP A 41 18.056 -0.098 9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 41 19.100 -1.697 7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.753 -1.487 6.495 1.00 0.00 H new ATOM 595 N ILE A 42 16.363 0.512 6.578 1.00 0.00 N ATOM 596 CA ILE A 42 15.382 1.368 5.937 1.00 0.00 C ATOM 597 C ILE A 42 15.076 0.830 4.538 1.00 0.00 C ATOM 598 O ILE A 42 15.633 1.305 3.550 1.00 0.00 O ATOM 599 CB ILE A 42 15.854 2.824 5.945 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.477 3.515 7.257 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.323 3.580 4.725 1.00 0.00 C ATOM 602 CD1 ILE A 42 13.976 3.397 7.528 1.00 0.00 C ATOM 0 H ILE A 42 17.026 0.072 5.940 1.00 0.00 H new ATOM 0 HA ILE A 42 14.446 1.356 6.495 1.00 0.00 H new ATOM 0 HB ILE A 42 16.942 2.831 5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 42 16.035 3.069 8.080 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.760 4.567 7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.673 4.612 4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.684 3.101 3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.233 3.566 4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.735 3.897 8.466 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.422 3.866 6.715 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.700 2.345 7.596 1.00 0.00 H new ATOM 613 N ARG A 43 14.191 -0.156 4.498 1.00 0.00 N ATOM 614 CA ARG A 43 13.804 -0.765 3.238 1.00 0.00 C ATOM 615 C ARG A 43 12.800 0.126 2.504 1.00 0.00 C ATOM 616 O ARG A 43 12.623 1.291 2.858 1.00 0.00 O ATOM 617 CB ARG A 43 13.183 -2.145 3.459 1.00 0.00 C ATOM 618 CG ARG A 43 14.232 -3.250 3.310 1.00 0.00 C ATOM 619 CD ARG A 43 15.610 -2.760 3.760 1.00 0.00 C ATOM 620 NE ARG A 43 16.364 -3.873 4.382 1.00 0.00 N ATOM 621 CZ ARG A 43 17.172 -4.713 3.702 1.00 0.00 C ATOM 622 NH1 ARG A 43 17.339 -4.574 2.369 1.00 0.00 N ATOM 623 NH2 ARG A 43 17.796 -5.673 4.360 1.00 0.00 N ATOM 0 H ARG A 43 13.731 -0.548 5.320 1.00 0.00 H new ATOM 0 HA ARG A 43 14.705 -0.878 2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.739 -2.193 4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.378 -2.304 2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.939 -4.117 3.902 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.279 -3.575 2.271 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.162 -2.368 2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.500 -1.942 4.472 1.00 0.00 H new ATOM 0 HE ARG A 43 16.266 -4.013 5.388 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.853 -3.830 1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.952 -5.213 1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.663 -5.771 5.367 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.410 -6.317 3.862 1.00 0.00 H new ATOM 633 N HIS A 44 12.169 -0.455 1.493 1.00 0.00 N ATOM 634 CA HIS A 44 11.187 0.272 0.707 1.00 0.00 C ATOM 635 C HIS A 44 9.914 -0.565 0.575 1.00 0.00 C ATOM 636 O HIS A 44 9.948 -1.784 0.741 1.00 0.00 O ATOM 637 CB HIS A 44 11.772 0.681 -0.647 1.00 0.00 C ATOM 638 CG HIS A 44 12.808 1.776 -0.563 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.625 2.926 0.185 1.00 0.00 N ATOM 640 CD2 HIS A 44 14.039 1.885 -1.140 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.703 3.685 0.056 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.578 3.038 -0.766 1.00 0.00 N ATOM 0 H HIS A 44 12.319 -1.421 1.201 1.00 0.00 H new ATOM 0 HA HIS A 44 10.919 1.198 1.217 1.00 0.00 H new ATOM 0 HB2 HIS A 44 12.221 -0.194 -1.117 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.961 1.011 -1.297 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.498 1.156 -1.791 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.861 4.647 0.520 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.496 3.384 -1.047 1.00 0.00 H new ATOM 649 N ILE A 45 8.821 0.121 0.276 1.00 0.00 N ATOM 650 CA ILE A 45 7.539 -0.544 0.119 1.00 0.00 C ATOM 651 C ILE A 45 7.174 -0.595 -1.366 1.00 0.00 C ATOM 652 O ILE A 45 7.673 0.200 -2.159 1.00 0.00 O ATOM 653 CB ILE A 45 6.476 0.129 0.990 1.00 0.00 C ATOM 654 CG1 ILE A 45 5.696 1.176 0.193 1.00 0.00 C ATOM 655 CG2 ILE A 45 7.098 0.720 2.257 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.608 1.901 -0.799 1.00 0.00 C ATOM 0 H ILE A 45 8.797 1.131 0.138 1.00 0.00 H new ATOM 0 HA ILE A 45 7.600 -1.575 0.469 1.00 0.00 H new ATOM 0 HB ILE A 45 5.763 -0.632 1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.878 0.695 -0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.248 1.898 0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.321 1.192 2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.571 -0.074 2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.846 1.464 1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.029 2.640 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.411 2.401 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.035 1.179 -1.495 1.00 0.00 H new ATOM 667 N VAL A 46 6.307 -1.541 -1.696 1.00 0.00 N ATOM 668 CA VAL A 46 5.869 -1.707 -3.072 1.00 0.00 C ATOM 669 C VAL A 46 4.536 -2.458 -3.091 1.00 0.00 C ATOM 670 O VAL A 46 4.508 -3.677 -3.255 1.00 0.00 O ATOM 671 CB VAL A 46 6.960 -2.405 -3.887 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.350 -3.358 -4.916 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.878 -1.384 -4.561 1.00 0.00 C ATOM 0 H VAL A 46 5.896 -2.200 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 46 5.702 -0.737 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 46 7.565 -2.997 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.147 -3.841 -5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.758 -4.116 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.710 -2.797 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.644 -1.906 -5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.292 -0.753 -5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.353 -0.764 -3.801 1.00 0.00 H new ATOM 683 N LEU A 47 3.464 -1.698 -2.923 1.00 0.00 N ATOM 684 CA LEU A 47 2.130 -2.276 -2.919 1.00 0.00 C ATOM 685 C LEU A 47 1.653 -2.455 -4.361 1.00 0.00 C ATOM 686 O LEU A 47 2.119 -1.761 -5.264 1.00 0.00 O ATOM 687 CB LEU A 47 1.185 -1.437 -2.057 1.00 0.00 C ATOM 688 CG LEU A 47 1.281 -1.658 -0.546 1.00 0.00 C ATOM 689 CD1 LEU A 47 2.715 -1.995 -0.132 1.00 0.00 C ATOM 690 CD2 LEU A 47 0.732 -0.452 0.220 1.00 0.00 C ATOM 0 H LEU A 47 3.491 -0.687 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 47 2.144 -3.266 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.376 -0.384 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.161 -1.642 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 47 0.660 -2.515 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.756 -2.147 0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.036 -2.905 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.376 -1.173 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.812 -0.635 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.307 0.437 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.314 -0.298 -0.045 1.00 0.00 H new ATOM 701 N ASN A 48 0.728 -3.387 -4.534 1.00 0.00 N ATOM 702 CA ASN A 48 0.181 -3.666 -5.851 1.00 0.00 C ATOM 703 C ASN A 48 -0.891 -4.750 -5.735 1.00 0.00 C ATOM 704 O ASN A 48 -0.579 -5.910 -5.464 1.00 0.00 O ATOM 705 CB ASN A 48 1.268 -4.173 -6.802 1.00 0.00 C ATOM 706 CG ASN A 48 2.306 -5.009 -6.051 1.00 0.00 C ATOM 707 OD1 ASN A 48 2.027 -5.629 -5.038 1.00 0.00 O ATOM 708 ND2 ASN A 48 3.516 -4.991 -6.603 1.00 0.00 N ATOM 0 H ASN A 48 0.343 -3.960 -3.783 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.239 -2.741 -6.245 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.815 -4.773 -7.592 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.757 -3.327 -7.285 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.279 -5.518 -6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.681 -4.451 -7.452 1.00 0.00 H new ATOM 714 N LEU A 49 -2.131 -4.337 -5.947 1.00 0.00 N ATOM 715 CA LEU A 49 -3.251 -5.260 -5.870 1.00 0.00 C ATOM 716 C LEU A 49 -3.752 -5.567 -7.283 1.00 0.00 C ATOM 717 O LEU A 49 -4.060 -4.655 -8.048 1.00 0.00 O ATOM 718 CB LEU A 49 -4.336 -4.710 -4.940 1.00 0.00 C ATOM 719 CG LEU A 49 -5.712 -4.491 -5.570 1.00 0.00 C ATOM 720 CD1 LEU A 49 -6.767 -5.376 -4.904 1.00 0.00 C ATOM 721 CD2 LEU A 49 -6.101 -3.011 -5.538 1.00 0.00 C ATOM 0 H LEU A 49 -2.386 -3.375 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.935 -6.206 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.448 -5.395 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.990 -3.760 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.659 -4.787 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.736 -5.201 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.491 -6.424 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.827 -5.135 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.084 -2.883 -5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.131 -2.665 -4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.366 -2.429 -6.094 1.00 0.00 H new ATOM 732 N GLU A 50 -3.816 -6.855 -7.585 1.00 0.00 N ATOM 733 CA GLU A 50 -4.273 -7.295 -8.893 1.00 0.00 C ATOM 734 C GLU A 50 -5.670 -7.909 -8.788 1.00 0.00 C ATOM 735 O GLU A 50 -6.405 -7.963 -9.773 1.00 0.00 O ATOM 736 CB GLU A 50 -3.285 -8.283 -9.516 1.00 0.00 C ATOM 737 CG GLU A 50 -2.815 -7.796 -10.888 1.00 0.00 C ATOM 738 CD GLU A 50 -3.873 -8.071 -11.960 1.00 0.00 C ATOM 739 OE1 GLU A 50 -4.923 -7.411 -11.977 1.00 0.00 O ATOM 740 OE2 GLU A 50 -3.573 -9.006 -12.795 1.00 0.00 O ATOM 0 H GLU A 50 -3.559 -7.608 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.328 -6.426 -9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.426 -8.409 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.756 -9.261 -9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.604 -6.727 -10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.883 -8.295 -11.155 1.00 0.00 H new ATOM 746 N ASP A 51 -5.996 -8.358 -7.584 1.00 0.00 N ATOM 747 CA ASP A 51 -7.292 -8.967 -7.338 1.00 0.00 C ATOM 748 C ASP A 51 -8.174 -7.981 -6.568 1.00 0.00 C ATOM 749 O ASP A 51 -8.510 -8.219 -5.409 1.00 0.00 O ATOM 750 CB ASP A 51 -7.152 -10.235 -6.495 1.00 0.00 C ATOM 751 CG ASP A 51 -8.474 -10.844 -6.019 1.00 0.00 C ATOM 752 OD1 ASP A 51 -9.544 -10.230 -6.150 1.00 0.00 O ATOM 753 OD2 ASP A 51 -8.374 -12.015 -5.487 1.00 0.00 O ATOM 0 H ASP A 51 -5.385 -8.312 -6.769 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.735 -9.222 -8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.613 -10.983 -7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.539 -10.008 -5.623 1.00 0.00 H new ATOM 758 N LEU A 52 -8.525 -6.897 -7.243 1.00 0.00 N ATOM 759 CA LEU A 52 -9.362 -5.876 -6.637 1.00 0.00 C ATOM 760 C LEU A 52 -10.830 -6.173 -6.951 1.00 0.00 C ATOM 761 O LEU A 52 -11.206 -6.299 -8.114 1.00 0.00 O ATOM 762 CB LEU A 52 -8.910 -4.482 -7.077 1.00 0.00 C ATOM 763 CG LEU A 52 -9.779 -3.314 -6.604 1.00 0.00 C ATOM 764 CD1 LEU A 52 -11.220 -3.472 -7.092 1.00 0.00 C ATOM 765 CD2 LEU A 52 -9.702 -3.154 -5.085 1.00 0.00 C ATOM 0 H LEU A 52 -8.245 -6.703 -8.204 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.257 -5.893 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.893 -4.321 -6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.870 -4.462 -8.166 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.389 -2.396 -7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.817 -2.630 -6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.234 -3.500 -8.182 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.637 -4.400 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.328 -2.317 -4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.053 -4.067 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.670 -2.963 -4.791 1.00 0.00 H new ATOM 776 N SER A 53 -11.619 -6.276 -5.891 1.00 0.00 N ATOM 777 CA SER A 53 -13.037 -6.556 -6.039 1.00 0.00 C ATOM 778 C SER A 53 -13.850 -5.638 -5.124 1.00 0.00 C ATOM 779 O SER A 53 -14.264 -4.555 -5.534 1.00 0.00 O ATOM 780 CB SER A 53 -13.344 -8.023 -5.728 1.00 0.00 C ATOM 781 OG SER A 53 -14.728 -8.233 -5.460 1.00 0.00 O ATOM 0 H SER A 53 -11.303 -6.171 -4.927 1.00 0.00 H new ATOM 0 HA SER A 53 -13.317 -6.366 -7.075 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.040 -8.644 -6.571 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.756 -8.342 -4.868 1.00 0.00 H new ATOM 0 HG SER A 53 -14.884 -9.181 -5.268 1.00 0.00 H new ATOM 786 N PHE A 54 -14.055 -6.106 -3.901 1.00 0.00 N ATOM 787 CA PHE A 54 -14.810 -5.340 -2.924 1.00 0.00 C ATOM 788 C PHE A 54 -14.108 -4.020 -2.599 1.00 0.00 C ATOM 789 O PHE A 54 -14.651 -2.945 -2.850 1.00 0.00 O ATOM 790 CB PHE A 54 -14.889 -6.189 -1.654 1.00 0.00 C ATOM 791 CG PHE A 54 -15.469 -5.451 -0.446 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.131 -4.275 -0.622 1.00 0.00 C ATOM 793 CD2 PHE A 54 -15.323 -5.968 0.803 1.00 0.00 C ATOM 794 CE1 PHE A 54 -16.670 -3.589 0.499 1.00 0.00 C ATOM 795 CE2 PHE A 54 -15.861 -5.282 1.923 1.00 0.00 C ATOM 796 CZ PHE A 54 -16.523 -4.108 1.748 1.00 0.00 C ATOM 0 H PHE A 54 -13.711 -7.006 -3.565 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.799 -5.106 -3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.499 -7.070 -1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.889 -6.544 -1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.247 -3.863 -1.614 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.797 -6.901 0.943 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.196 -2.656 0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.744 -5.693 2.915 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.933 -3.587 2.601 1.00 0.00 H new ATOM 805 N MET A 55 -12.912 -4.145 -2.046 1.00 0.00 N ATOM 806 CA MET A 55 -12.129 -2.974 -1.683 1.00 0.00 C ATOM 807 C MET A 55 -13.019 -1.883 -1.087 1.00 0.00 C ATOM 808 O MET A 55 -13.593 -1.077 -1.817 1.00 0.00 O ATOM 809 CB MET A 55 -11.417 -2.432 -2.924 1.00 0.00 C ATOM 810 CG MET A 55 -11.622 -0.921 -3.056 1.00 0.00 C ATOM 811 SD MET A 55 -13.144 -0.584 -3.926 1.00 0.00 S ATOM 812 CE MET A 55 -13.177 -1.976 -5.043 1.00 0.00 C ATOM 0 H MET A 55 -12.465 -5.038 -1.840 1.00 0.00 H new ATOM 0 HA MET A 55 -11.396 -3.268 -0.932 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.352 -2.654 -2.863 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.797 -2.934 -3.814 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.649 -0.462 -2.068 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.782 -0.477 -3.591 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.266 -1.618 -6.069 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.256 -2.549 -4.938 1.00 0.00 H new ATOM 0 HE3 MET A 55 -14.029 -2.613 -4.806 1.00 0.00 H new ATOM 820 N ASP A 56 -13.107 -1.892 0.236 1.00 0.00 N ATOM 821 CA ASP A 56 -13.917 -0.913 0.939 1.00 0.00 C ATOM 822 C ASP A 56 -13.001 0.069 1.673 1.00 0.00 C ATOM 823 O ASP A 56 -11.793 0.090 1.439 1.00 0.00 O ATOM 824 CB ASP A 56 -14.817 -1.586 1.977 1.00 0.00 C ATOM 825 CG ASP A 56 -16.208 -0.968 2.125 1.00 0.00 C ATOM 826 OD1 ASP A 56 -16.639 -0.156 1.292 1.00 0.00 O ATOM 827 OD2 ASP A 56 -16.870 -1.355 3.163 1.00 0.00 O ATOM 0 H ASP A 56 -12.630 -2.563 0.839 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.536 -0.398 0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.929 -2.637 1.711 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.317 -1.554 2.945 1.00 0.00 H new ATOM 832 N SER A 57 -13.610 0.858 2.544 1.00 0.00 N ATOM 833 CA SER A 57 -12.864 1.840 3.313 1.00 0.00 C ATOM 834 C SER A 57 -12.359 1.212 4.614 1.00 0.00 C ATOM 835 O SER A 57 -11.915 1.919 5.517 1.00 0.00 O ATOM 836 CB SER A 57 -13.723 3.070 3.618 1.00 0.00 C ATOM 837 OG SER A 57 -14.752 2.782 4.560 1.00 0.00 O ATOM 0 H SER A 57 -14.612 0.838 2.735 1.00 0.00 H new ATOM 0 HA SER A 57 -12.011 2.164 2.717 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.089 3.868 4.006 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.170 3.438 2.694 1.00 0.00 H new ATOM 0 HG SER A 57 -15.277 3.592 4.729 1.00 0.00 H new ATOM 842 N SER A 58 -12.442 -0.109 4.667 1.00 0.00 N ATOM 843 CA SER A 58 -11.998 -0.841 5.841 1.00 0.00 C ATOM 844 C SER A 58 -10.478 -0.742 5.975 1.00 0.00 C ATOM 845 O SER A 58 -9.964 -0.456 7.055 1.00 0.00 O ATOM 846 CB SER A 58 -12.431 -2.307 5.773 1.00 0.00 C ATOM 847 OG SER A 58 -13.649 -2.471 5.051 1.00 0.00 O ATOM 0 H SER A 58 -12.810 -0.692 3.915 1.00 0.00 H new ATOM 0 HA SER A 58 -12.464 -0.394 6.719 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.646 -2.895 5.298 1.00 0.00 H new ATOM 0 HB3 SER A 58 -12.553 -2.696 6.784 1.00 0.00 H new ATOM 0 HG SER A 58 -14.214 -3.129 5.507 1.00 0.00 H new ATOM 852 N GLY A 59 -9.800 -0.986 4.863 1.00 0.00 N ATOM 853 CA GLY A 59 -8.349 -0.929 4.842 1.00 0.00 C ATOM 854 C GLY A 59 -7.861 0.495 4.568 1.00 0.00 C ATOM 855 O GLY A 59 -6.667 0.776 4.666 1.00 0.00 O ATOM 0 H GLY A 59 -10.230 -1.224 3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.954 -1.275 5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.966 -1.603 4.075 1.00 0.00 H new ATOM 859 N LEU A 60 -8.808 1.356 4.231 1.00 0.00 N ATOM 860 CA LEU A 60 -8.489 2.745 3.942 1.00 0.00 C ATOM 861 C LEU A 60 -7.644 3.317 5.081 1.00 0.00 C ATOM 862 O LEU A 60 -6.668 4.025 4.840 1.00 0.00 O ATOM 863 CB LEU A 60 -9.767 3.541 3.663 1.00 0.00 C ATOM 864 CG LEU A 60 -9.791 4.332 2.354 1.00 0.00 C ATOM 865 CD1 LEU A 60 -9.118 5.696 2.524 1.00 0.00 C ATOM 866 CD2 LEU A 60 -9.169 3.524 1.213 1.00 0.00 C ATOM 0 H LEU A 60 -9.797 1.120 4.151 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.891 2.818 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.609 2.849 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.926 4.236 4.488 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.831 4.518 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.149 6.237 1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.644 6.269 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.081 5.555 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.199 4.110 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.134 3.286 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.731 2.600 1.073 1.00 0.00 H new ATOM 877 N GLY A 61 -8.050 2.990 6.299 1.00 0.00 N ATOM 878 CA GLY A 61 -7.341 3.462 7.477 1.00 0.00 C ATOM 879 C GLY A 61 -6.108 2.601 7.757 1.00 0.00 C ATOM 880 O GLY A 61 -5.089 3.105 8.226 1.00 0.00 O ATOM 0 H GLY A 61 -8.861 2.404 6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.039 4.499 7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.007 3.441 8.339 1.00 0.00 H new ATOM 884 N VAL A 62 -6.241 1.318 7.457 1.00 0.00 N ATOM 885 CA VAL A 62 -5.151 0.382 7.671 1.00 0.00 C ATOM 886 C VAL A 62 -3.983 0.748 6.753 1.00 0.00 C ATOM 887 O VAL A 62 -2.835 0.408 7.037 1.00 0.00 O ATOM 888 CB VAL A 62 -5.643 -1.052 7.467 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.187 -1.602 6.114 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.183 -1.958 8.611 1.00 0.00 C ATOM 0 H VAL A 62 -7.088 0.904 7.067 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.791 0.445 8.698 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.733 -1.035 7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.550 -2.623 5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.587 -0.979 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.098 -1.597 6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.546 -2.972 8.441 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.094 -1.965 8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.581 -1.583 9.554 1.00 0.00 H new ATOM 900 N ILE A 63 -4.315 1.437 5.672 1.00 0.00 N ATOM 901 CA ILE A 63 -3.309 1.854 4.711 1.00 0.00 C ATOM 902 C ILE A 63 -2.828 3.263 5.060 1.00 0.00 C ATOM 903 O ILE A 63 -1.654 3.586 4.878 1.00 0.00 O ATOM 904 CB ILE A 63 -3.843 1.724 3.283 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.662 0.298 2.757 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.202 2.762 2.360 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.010 -0.335 2.409 1.00 0.00 C ATOM 0 H ILE A 63 -5.268 1.717 5.440 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.440 1.198 4.763 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.914 1.927 3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.024 0.311 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.155 -0.308 3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.599 2.647 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.427 3.763 2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.122 2.616 2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.852 -1.348 2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.637 -0.369 3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.504 0.260 1.641 1.00 0.00 H new ATOM 918 N LEU A 64 -3.759 4.066 5.556 1.00 0.00 N ATOM 919 CA LEU A 64 -3.445 5.433 5.933 1.00 0.00 C ATOM 920 C LEU A 64 -2.581 5.424 7.197 1.00 0.00 C ATOM 921 O LEU A 64 -1.636 6.204 7.313 1.00 0.00 O ATOM 922 CB LEU A 64 -4.725 6.259 6.070 1.00 0.00 C ATOM 923 CG LEU A 64 -4.718 7.626 5.384 1.00 0.00 C ATOM 924 CD1 LEU A 64 -5.647 7.634 4.168 1.00 0.00 C ATOM 925 CD2 LEU A 64 -5.063 8.739 6.376 1.00 0.00 C ATOM 0 H LEU A 64 -4.731 3.795 5.705 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.862 5.919 5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.554 5.677 5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.926 6.408 7.131 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.709 7.820 5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.623 8.617 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.315 6.882 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.665 7.408 4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.051 9.700 5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.055 8.562 6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.329 8.749 7.182 1.00 0.00 H new ATOM 936 N GLY A 65 -2.935 4.533 8.111 1.00 0.00 N ATOM 937 CA GLY A 65 -2.204 4.411 9.360 1.00 0.00 C ATOM 938 C GLY A 65 -0.767 3.948 9.113 1.00 0.00 C ATOM 939 O GLY A 65 0.116 4.184 9.936 1.00 0.00 O ATOM 0 H GLY A 65 -3.719 3.888 8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.197 5.371 9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.711 3.701 10.014 1.00 0.00 H new ATOM 943 N ARG A 66 -0.577 3.296 7.975 1.00 0.00 N ATOM 944 CA ARG A 66 0.737 2.798 7.608 1.00 0.00 C ATOM 945 C ARG A 66 1.536 3.886 6.886 1.00 0.00 C ATOM 946 O ARG A 66 2.681 4.158 7.241 1.00 0.00 O ATOM 947 CB ARG A 66 0.628 1.570 6.702 1.00 0.00 C ATOM 948 CG ARG A 66 1.328 0.362 7.329 1.00 0.00 C ATOM 949 CD ARG A 66 1.686 -0.677 6.264 1.00 0.00 C ATOM 950 NE ARG A 66 2.746 -0.148 5.377 1.00 0.00 N ATOM 951 CZ ARG A 66 2.510 0.471 4.202 1.00 0.00 C ATOM 952 NH1 ARG A 66 1.245 0.645 3.761 1.00 0.00 N ATOM 953 NH2 ARG A 66 3.533 0.906 3.489 1.00 0.00 N ATOM 0 H ARG A 66 -1.312 3.101 7.295 1.00 0.00 H new ATOM 0 HA ARG A 66 1.251 2.514 8.526 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.422 1.336 6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.073 1.789 5.731 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.232 0.687 7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.679 -0.090 8.080 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.025 -1.597 6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.802 -0.929 5.678 1.00 0.00 H new ATOM 0 HE ARG A 66 3.716 -0.258 5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.460 0.307 4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.075 1.114 2.871 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.485 0.772 3.829 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.371 1.376 2.598 1.00 0.00 H new ATOM 963 N TYR A 67 0.898 4.478 5.887 1.00 0.00 N ATOM 964 CA TYR A 67 1.534 5.529 5.112 1.00 0.00 C ATOM 965 C TYR A 67 2.364 6.448 6.012 1.00 0.00 C ATOM 966 O TYR A 67 3.491 6.804 5.671 1.00 0.00 O ATOM 967 CB TYR A 67 0.397 6.340 4.487 1.00 0.00 C ATOM 968 CG TYR A 67 0.665 6.782 3.047 1.00 0.00 C ATOM 969 CD1 TYR A 67 0.340 5.948 1.998 1.00 0.00 C ATOM 970 CD2 TYR A 67 1.234 8.014 2.799 1.00 0.00 C ATOM 971 CE1 TYR A 67 0.593 6.363 0.642 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.487 8.431 1.444 1.00 0.00 C ATOM 973 CZ TYR A 67 1.155 7.585 0.431 1.00 0.00 C ATOM 974 OH TYR A 67 1.394 7.978 -0.848 1.00 0.00 O ATOM 0 H TYR A 67 -0.053 4.250 5.597 1.00 0.00 H new ATOM 0 HA TYR A 67 2.203 5.103 4.365 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.515 5.744 4.509 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.216 7.223 5.099 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.104 4.983 2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.490 8.666 3.621 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.343 5.719 -0.188 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.930 9.394 1.236 1.00 0.00 H new ATOM 0 HH TYR A 67 1.021 7.318 -1.468 1.00 0.00 H new ATOM 983 N LYS A 68 1.773 6.806 7.143 1.00 0.00 N ATOM 984 CA LYS A 68 2.444 7.676 8.094 1.00 0.00 C ATOM 985 C LYS A 68 3.506 6.876 8.850 1.00 0.00 C ATOM 986 O LYS A 68 4.522 7.427 9.270 1.00 0.00 O ATOM 987 CB LYS A 68 1.424 8.359 9.006 1.00 0.00 C ATOM 988 CG LYS A 68 0.236 8.889 8.201 1.00 0.00 C ATOM 989 CD LYS A 68 0.471 10.335 7.761 1.00 0.00 C ATOM 990 CE LYS A 68 -0.099 11.320 8.784 1.00 0.00 C ATOM 991 NZ LYS A 68 -1.486 10.949 9.143 1.00 0.00 N ATOM 0 H LYS A 68 0.838 6.510 7.422 1.00 0.00 H new ATOM 0 HA LYS A 68 2.962 8.481 7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.072 7.652 9.757 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.901 9.181 9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.077 8.260 7.325 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.670 8.832 8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.539 10.512 7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.005 10.504 6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.525 11.327 9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.081 12.330 8.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.061 11.810 9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.889 10.348 8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.484 10.428 10.043 1.00 0.00 H new ATOM 1000 N GLN A 69 3.235 5.587 9.002 1.00 0.00 N ATOM 1001 CA GLN A 69 4.154 4.706 9.699 1.00 0.00 C ATOM 1002 C GLN A 69 5.352 4.375 8.808 1.00 0.00 C ATOM 1003 O GLN A 69 6.500 4.510 9.230 1.00 0.00 O ATOM 1004 CB GLN A 69 3.446 3.431 10.161 1.00 0.00 C ATOM 1005 CG GLN A 69 3.492 3.300 11.685 1.00 0.00 C ATOM 1006 CD GLN A 69 2.130 2.874 12.240 1.00 0.00 C ATOM 1007 OE1 GLN A 69 1.398 2.106 11.637 1.00 0.00 O ATOM 1008 NE2 GLN A 69 1.833 3.415 13.418 1.00 0.00 N ATOM 0 H GLN A 69 2.391 5.133 8.653 1.00 0.00 H new ATOM 0 HA GLN A 69 4.519 5.223 10.587 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.409 3.444 9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.919 2.562 9.703 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.249 2.569 11.968 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.787 4.252 12.127 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.492 4.051 13.868 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.946 3.194 13.872 1.00 0.00 H new ATOM 1015 N ILE A 70 5.046 3.950 7.591 1.00 0.00 N ATOM 1016 CA ILE A 70 6.084 3.600 6.636 1.00 0.00 C ATOM 1017 C ILE A 70 7.048 4.777 6.484 1.00 0.00 C ATOM 1018 O ILE A 70 8.263 4.588 6.446 1.00 0.00 O ATOM 1019 CB ILE A 70 5.464 3.137 5.317 1.00 0.00 C ATOM 1020 CG1 ILE A 70 6.399 3.424 4.141 1.00 0.00 C ATOM 1021 CG2 ILE A 70 4.080 3.760 5.113 1.00 0.00 C ATOM 1022 CD1 ILE A 70 7.693 2.616 4.260 1.00 0.00 C ATOM 0 H ILE A 70 4.093 3.840 7.244 1.00 0.00 H new ATOM 0 HA ILE A 70 6.668 2.755 7.000 1.00 0.00 H new ATOM 0 HB ILE A 70 5.328 2.057 5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.898 3.179 3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.632 4.488 4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.661 3.415 4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.423 3.463 5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.169 4.846 5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.340 2.838 3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.204 2.881 5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.458 1.552 4.268 1.00 0.00 H new ATOM 1033 N LYS A 71 6.472 5.967 6.400 1.00 0.00 N ATOM 1034 CA LYS A 71 7.265 7.175 6.252 1.00 0.00 C ATOM 1035 C LYS A 71 7.913 7.522 7.594 1.00 0.00 C ATOM 1036 O LYS A 71 8.900 8.254 7.640 1.00 0.00 O ATOM 1037 CB LYS A 71 6.416 8.306 5.669 1.00 0.00 C ATOM 1038 CG LYS A 71 6.890 8.679 4.263 1.00 0.00 C ATOM 1039 CD LYS A 71 6.765 10.186 4.024 1.00 0.00 C ATOM 1040 CE LYS A 71 7.978 10.932 4.583 1.00 0.00 C ATOM 1041 NZ LYS A 71 7.545 12.110 5.367 1.00 0.00 N ATOM 0 H LYS A 71 5.464 6.120 6.432 1.00 0.00 H new ATOM 0 HA LYS A 71 8.073 7.014 5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.370 8.000 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.472 9.179 6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.927 8.371 4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.301 8.139 3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.674 10.382 2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.856 10.558 4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.565 10.264 5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.626 11.250 3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.380 12.605 5.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.004 12.754 4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.946 11.799 6.158 1.00 0.00 H new ATOM 1050 N GLN A 72 7.331 6.979 8.654 1.00 0.00 N ATOM 1051 CA GLN A 72 7.839 7.222 9.993 1.00 0.00 C ATOM 1052 C GLN A 72 9.167 6.490 10.197 1.00 0.00 C ATOM 1053 O GLN A 72 9.942 6.838 11.086 1.00 0.00 O ATOM 1054 CB GLN A 72 6.817 6.807 11.052 1.00 0.00 C ATOM 1055 CG GLN A 72 7.314 5.602 11.852 1.00 0.00 C ATOM 1056 CD GLN A 72 6.308 5.212 12.938 1.00 0.00 C ATOM 1057 OE1 GLN A 72 5.186 5.691 12.982 1.00 0.00 O ATOM 1058 NE2 GLN A 72 6.771 4.319 13.808 1.00 0.00 N ATOM 0 H GLN A 72 6.513 6.372 8.612 1.00 0.00 H new ATOM 0 HA GLN A 72 8.014 8.292 10.105 1.00 0.00 H new ATOM 0 HB2 GLN A 72 6.627 7.642 11.726 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.869 6.563 10.572 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.476 4.758 11.182 1.00 0.00 H new ATOM 0 HG3 GLN A 72 8.276 5.836 12.309 1.00 0.00 H new ATOM 0 HE21 GLN A 72 7.721 3.959 13.713 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.176 3.994 14.570 1.00 0.00 H new ATOM 1065 N ILE A 73 9.389 5.488 9.359 1.00 0.00 N ATOM 1066 CA ILE A 73 10.610 4.704 9.437 1.00 0.00 C ATOM 1067 C ILE A 73 11.758 5.491 8.803 1.00 0.00 C ATOM 1068 O ILE A 73 12.873 5.497 9.322 1.00 0.00 O ATOM 1069 CB ILE A 73 10.398 3.320 8.819 1.00 0.00 C ATOM 1070 CG1 ILE A 73 9.050 2.732 9.241 1.00 0.00 C ATOM 1071 CG2 ILE A 73 11.561 2.385 9.156 1.00 0.00 C ATOM 1072 CD1 ILE A 73 8.490 1.811 8.155 1.00 0.00 C ATOM 0 H ILE A 73 8.744 5.201 8.623 1.00 0.00 H new ATOM 0 HA ILE A 73 10.882 4.525 10.477 1.00 0.00 H new ATOM 0 HB ILE A 73 10.377 3.430 7.735 1.00 0.00 H new ATOM 0 HG12 ILE A 73 9.167 2.175 10.171 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.344 3.538 9.439 1.00 0.00 H new ATOM 0 HG21 ILE A 73 11.385 1.408 8.705 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.489 2.803 8.766 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.639 2.276 10.238 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.532 1.406 8.480 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.351 2.377 7.234 1.00 0.00 H new ATOM 0 HD13 ILE A 73 9.188 0.993 7.977 1.00 0.00 H new ATOM 1083 N GLY A 74 11.446 6.136 7.688 1.00 0.00 N ATOM 1084 CA GLY A 74 12.438 6.925 6.977 1.00 0.00 C ATOM 1085 C GLY A 74 12.613 6.423 5.543 1.00 0.00 C ATOM 1086 O GLY A 74 13.716 6.457 4.999 1.00 0.00 O ATOM 0 H GLY A 74 10.520 6.128 7.260 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.135 7.972 6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.392 6.875 7.502 1.00 0.00 H new ATOM 1090 N GLY A 75 11.509 5.966 4.970 1.00 0.00 N ATOM 1091 CA GLY A 75 11.525 5.457 3.610 1.00 0.00 C ATOM 1092 C GLY A 75 10.458 6.143 2.755 1.00 0.00 C ATOM 1093 O GLY A 75 10.243 7.348 2.872 1.00 0.00 O ATOM 0 H GLY A 75 10.596 5.938 5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.509 5.619 3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.353 4.381 3.619 1.00 0.00 H new ATOM 1097 N GLU A 76 9.818 5.345 1.913 1.00 0.00 N ATOM 1098 CA GLU A 76 8.778 5.860 1.037 1.00 0.00 C ATOM 1099 C GLU A 76 7.643 4.842 0.906 1.00 0.00 C ATOM 1100 O GLU A 76 7.880 3.636 0.933 1.00 0.00 O ATOM 1101 CB GLU A 76 9.348 6.227 -0.334 1.00 0.00 C ATOM 1102 CG GLU A 76 10.775 6.761 -0.210 1.00 0.00 C ATOM 1103 CD GLU A 76 10.792 8.126 0.484 1.00 0.00 C ATOM 1104 OE1 GLU A 76 9.733 8.748 0.652 1.00 0.00 O ATOM 1105 OE2 GLU A 76 11.957 8.534 0.856 1.00 0.00 O ATOM 0 H GLU A 76 9.999 4.346 1.818 1.00 0.00 H new ATOM 0 HA GLU A 76 8.374 6.770 1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.339 5.350 -0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.715 6.978 -0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.384 6.055 0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.222 6.847 -1.200 1.00 0.00 H new ATOM 1111 N MET A 77 6.435 5.367 0.766 1.00 0.00 N ATOM 1112 CA MET A 77 5.263 4.519 0.630 1.00 0.00 C ATOM 1113 C MET A 77 4.579 4.741 -0.722 1.00 0.00 C ATOM 1114 O MET A 77 4.185 5.860 -1.046 1.00 0.00 O ATOM 1115 CB MET A 77 4.275 4.828 1.758 1.00 0.00 C ATOM 1116 CG MET A 77 3.707 6.242 1.617 1.00 0.00 C ATOM 1117 SD MET A 77 4.029 7.178 3.103 1.00 0.00 S ATOM 1118 CE MET A 77 4.025 8.832 2.432 1.00 0.00 C ATOM 0 H MET A 77 6.242 6.368 0.744 1.00 0.00 H new ATOM 0 HA MET A 77 5.582 3.478 0.689 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.462 4.102 1.743 1.00 0.00 H new ATOM 0 HB3 MET A 77 4.774 4.727 2.722 1.00 0.00 H new ATOM 0 HG2 MET A 77 4.157 6.740 0.758 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.634 6.195 1.432 1.00 0.00 H new ATOM 0 HE1 MET A 77 5.038 9.234 2.450 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.663 8.807 1.404 1.00 0.00 H new ATOM 0 HE3 MET A 77 3.372 9.466 3.031 1.00 0.00 H new ATOM 1126 N VAL A 78 4.460 3.656 -1.473 1.00 0.00 N ATOM 1127 CA VAL A 78 3.832 3.718 -2.782 1.00 0.00 C ATOM 1128 C VAL A 78 2.750 2.639 -2.874 1.00 0.00 C ATOM 1129 O VAL A 78 2.876 1.576 -2.271 1.00 0.00 O ATOM 1130 CB VAL A 78 4.892 3.597 -3.878 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.284 3.846 -5.259 1.00 0.00 C ATOM 1132 CG2 VAL A 78 6.063 4.545 -3.615 1.00 0.00 C ATOM 0 H VAL A 78 4.788 2.729 -1.200 1.00 0.00 H new ATOM 0 HA VAL A 78 3.344 4.682 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 78 5.277 2.577 -3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.059 3.754 -6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.500 3.113 -5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.859 4.849 -5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.802 4.439 -4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.701 5.573 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.522 4.300 -2.657 1.00 0.00 H new ATOM 1142 N VAL A 79 1.712 2.952 -3.636 1.00 0.00 N ATOM 1143 CA VAL A 79 0.609 2.022 -3.815 1.00 0.00 C ATOM 1144 C VAL A 79 0.033 2.188 -5.223 1.00 0.00 C ATOM 1145 O VAL A 79 -0.183 3.309 -5.681 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.433 2.229 -2.714 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -0.885 3.690 -2.654 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.629 1.294 -2.909 1.00 0.00 C ATOM 0 H VAL A 79 1.611 3.835 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 79 0.957 0.993 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 79 0.034 1.983 -1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.626 3.810 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.026 4.328 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.326 3.974 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.355 1.461 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.095 1.496 -3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.290 0.258 -2.879 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.199 1.056 -5.869 1.00 0.00 N ATOM 1159 CA CYS A 80 -0.746 1.061 -7.216 1.00 0.00 C ATOM 1160 C CYS A 80 -2.025 0.219 -7.218 1.00 0.00 C ATOM 1161 O CYS A 80 -2.568 -0.094 -6.159 1.00 0.00 O ATOM 1162 CB CYS A 80 0.270 0.555 -8.241 1.00 0.00 C ATOM 1163 SG CYS A 80 0.318 -1.274 -8.227 1.00 0.00 S ATOM 0 H CYS A 80 -0.018 0.128 -5.485 1.00 0.00 H new ATOM 0 HA CYS A 80 -0.983 2.083 -7.511 1.00 0.00 H new ATOM 0 HB2 CYS A 80 0.004 0.912 -9.236 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.258 0.954 -8.013 1.00 0.00 H new ATOM 0 HG CYS A 80 0.999 -1.698 -9.250 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.468 -0.121 -8.419 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.673 -0.920 -8.573 1.00 0.00 C ATOM 1170 C ALA A 81 -4.898 -0.044 -8.301 1.00 0.00 C ATOM 1171 O ALA A 81 -5.717 -0.367 -7.441 1.00 0.00 O ATOM 1172 CB ALA A 81 -3.604 -2.132 -7.642 1.00 0.00 C ATOM 0 H ALA A 81 -2.015 0.142 -9.294 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.757 -1.297 -9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.507 -2.731 -7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.733 -2.736 -7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.523 -1.793 -6.609 1.00 0.00 H new ATOM 1178 N ILE A 82 -4.984 1.046 -9.048 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.096 1.970 -8.899 1.00 0.00 C ATOM 1180 C ILE A 82 -7.285 1.468 -9.721 1.00 0.00 C ATOM 1181 O ILE A 82 -7.181 0.460 -10.418 1.00 0.00 O ATOM 1182 CB ILE A 82 -5.660 3.393 -9.253 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -6.590 4.426 -8.612 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -5.557 3.575 -10.768 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.976 4.011 -7.192 1.00 0.00 C ATOM 0 H ILE A 82 -4.302 1.311 -9.759 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.422 2.010 -7.860 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.664 3.558 -8.842 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.098 5.398 -8.589 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.489 4.537 -9.219 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.245 4.595 -10.992 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.824 2.875 -11.169 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.528 3.384 -11.224 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.637 4.763 -6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.489 3.050 -7.221 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.077 3.924 -6.581 1.00 0.00 H new ATOM 1196 N SER A 83 -8.386 2.196 -9.613 1.00 0.00 N ATOM 1197 CA SER A 83 -9.594 1.838 -10.338 1.00 0.00 C ATOM 1198 C SER A 83 -10.580 3.008 -10.322 1.00 0.00 C ATOM 1199 O SER A 83 -10.525 3.859 -9.437 1.00 0.00 O ATOM 1200 CB SER A 83 -10.244 0.588 -9.742 1.00 0.00 C ATOM 1201 OG SER A 83 -11.620 0.796 -9.438 1.00 0.00 O ATOM 0 H SER A 83 -8.468 3.032 -9.035 1.00 0.00 H new ATOM 0 HA SER A 83 -9.321 1.616 -11.369 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.149 -0.240 -10.444 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.712 0.300 -8.835 1.00 0.00 H new ATOM 0 HG SER A 83 -12.074 -0.070 -9.370 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.482 3.013 -11.341 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.479 4.064 -11.453 1.00 0.00 C ATOM 1208 C PRO A 84 -13.592 3.875 -10.421 1.00 0.00 C ATOM 1209 O PRO A 84 -14.529 4.670 -10.361 1.00 0.00 O ATOM 1210 CB PRO A 84 -12.977 3.982 -12.887 1.00 0.00 C ATOM 1211 CG PRO A 84 -12.584 2.601 -13.386 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.575 2.021 -12.408 1.00 0.00 C ATOM 0 HA PRO A 84 -12.074 5.054 -11.243 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.057 4.122 -12.934 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.528 4.762 -13.502 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.461 1.957 -13.457 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.154 2.665 -14.385 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.905 1.056 -12.024 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.608 1.860 -12.885 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.453 2.819 -9.634 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.436 2.516 -8.607 1.00 0.00 C ATOM 1219 C ALA A 85 -13.714 2.150 -7.309 1.00 0.00 C ATOM 1220 O ALA A 85 -14.270 1.451 -6.462 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.357 1.397 -9.097 1.00 0.00 C ATOM 0 H ALA A 85 -12.675 2.162 -9.686 1.00 0.00 H new ATOM 0 HA ALA A 85 -15.060 3.386 -8.403 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -16.094 1.169 -8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.868 1.717 -10.005 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.766 0.506 -9.308 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.489 2.640 -7.192 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.686 2.373 -6.011 1.00 0.00 C ATOM 1229 C VAL A 86 -11.020 3.670 -5.549 1.00 0.00 C ATOM 1230 O VAL A 86 -10.911 3.924 -4.351 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.681 1.256 -6.302 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.526 1.282 -5.299 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.369 -0.111 -6.311 1.00 0.00 C ATOM 0 H VAL A 86 -12.033 3.221 -7.896 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.315 2.021 -5.194 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.266 1.429 -7.295 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.827 0.478 -5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.011 2.240 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.917 1.146 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.633 -0.887 -6.520 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.825 -0.295 -5.338 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.140 -0.125 -7.081 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.592 4.458 -6.524 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.939 5.724 -6.233 1.00 0.00 C ATOM 1245 C LYS A 87 -10.972 6.709 -5.683 1.00 0.00 C ATOM 1246 O LYS A 87 -10.611 7.746 -5.129 1.00 0.00 O ATOM 1247 CB LYS A 87 -9.193 6.238 -7.465 1.00 0.00 C ATOM 1248 CG LYS A 87 -10.153 6.917 -8.444 1.00 0.00 C ATOM 1249 CD LYS A 87 -9.734 8.365 -8.708 1.00 0.00 C ATOM 1250 CE LYS A 87 -10.802 9.108 -9.512 1.00 0.00 C ATOM 1251 NZ LYS A 87 -10.174 9.955 -10.550 1.00 0.00 N ATOM 0 H LYS A 87 -10.684 4.245 -7.517 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.180 5.594 -5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.421 6.944 -7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.688 5.409 -7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.172 6.363 -9.383 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.165 6.895 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.566 8.877 -7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.789 8.380 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.478 8.392 -9.979 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.403 9.726 -8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.913 10.452 -11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.547 10.651 -10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.619 9.358 -11.196 1.00 0.00 H new ATOM 1260 N ARG A 88 -12.236 6.352 -5.855 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.323 7.192 -5.384 1.00 0.00 C ATOM 1262 C ARG A 88 -13.304 7.276 -3.856 1.00 0.00 C ATOM 1263 O ARG A 88 -13.779 8.253 -3.279 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.678 6.648 -5.840 1.00 0.00 C ATOM 1265 CG ARG A 88 -15.191 5.575 -4.878 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.446 4.255 -5.082 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.393 3.121 -4.999 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.114 2.815 -3.899 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.000 3.559 -2.778 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -16.931 1.779 -3.936 1.00 0.00 N ATOM 0 H ARG A 88 -12.532 5.491 -6.315 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.182 8.186 -5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.399 7.463 -5.899 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.587 6.229 -6.842 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.064 5.913 -3.849 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.259 5.422 -5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.949 4.254 -6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.668 4.146 -4.326 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.508 2.533 -5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.366 4.358 -2.758 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.548 3.322 -1.951 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.011 1.223 -4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.482 1.535 -3.113 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.750 6.240 -3.245 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.663 6.184 -1.795 1.00 0.00 C ATOM 1282 C LEU A 89 -11.752 7.310 -1.301 1.00 0.00 C ATOM 1283 O LEU A 89 -12.076 7.993 -0.330 1.00 0.00 O ATOM 1284 CB LEU A 89 -12.224 4.791 -1.338 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.332 3.878 -0.812 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.752 2.576 -0.257 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -14.199 4.605 0.218 1.00 0.00 C ATOM 0 H LEU A 89 -12.356 5.432 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.643 6.346 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.737 4.292 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.474 4.907 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.980 3.611 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.561 1.945 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.213 2.052 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.068 2.802 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.979 3.933 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.579 4.921 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.657 5.479 -0.244 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.632 7.468 -1.990 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.673 8.500 -1.632 1.00 0.00 C ATOM 1300 C PHE A 90 -10.008 9.824 -2.320 1.00 0.00 C ATOM 1301 O PHE A 90 -9.585 10.887 -1.870 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.301 8.021 -2.114 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.967 6.583 -1.713 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -8.377 5.547 -2.493 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -7.261 6.340 -0.576 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -8.068 4.212 -2.120 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -6.952 5.005 -0.203 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.361 3.970 -0.984 1.00 0.00 C ATOM 0 H PHE A 90 -10.367 6.899 -2.794 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.691 8.667 -0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.260 8.103 -3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.535 8.686 -1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.937 5.740 -3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.935 7.163 0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.395 3.389 -2.739 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.393 4.812 0.700 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.124 2.955 -0.702 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.767 9.716 -3.401 1.00 0.00 N ATOM 1318 CA ASP A 91 -11.164 10.892 -4.157 1.00 0.00 C ATOM 1319 C ASP A 91 -12.209 11.675 -3.359 1.00 0.00 C ATOM 1320 O ASP A 91 -12.239 12.904 -3.407 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.788 10.501 -5.497 1.00 0.00 C ATOM 1322 CG ASP A 91 -11.144 11.147 -6.725 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -9.948 10.957 -6.993 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -11.933 11.885 -7.430 1.00 0.00 O ATOM 0 H ASP A 91 -11.117 8.832 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.274 11.494 -4.337 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.732 9.418 -5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.845 10.765 -5.479 1.00 0.00 H new ATOM 1329 N MET A 92 -13.042 10.931 -2.645 1.00 0.00 N ATOM 1330 CA MET A 92 -14.086 11.541 -1.839 1.00 0.00 C ATOM 1331 C MET A 92 -13.543 11.974 -0.475 1.00 0.00 C ATOM 1332 O MET A 92 -13.974 12.985 0.076 1.00 0.00 O ATOM 1333 CB MET A 92 -15.227 10.542 -1.641 1.00 0.00 C ATOM 1334 CG MET A 92 -16.406 11.192 -0.914 1.00 0.00 C ATOM 1335 SD MET A 92 -17.164 10.016 0.194 1.00 0.00 S ATOM 1336 CE MET A 92 -18.083 9.033 -0.980 1.00 0.00 C ATOM 0 H MET A 92 -13.015 9.912 -2.608 1.00 0.00 H new ATOM 0 HA MET A 92 -14.452 12.425 -2.361 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.556 10.164 -2.609 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.870 9.686 -1.069 1.00 0.00 H new ATOM 0 HG2 MET A 92 -16.064 12.063 -0.355 1.00 0.00 H new ATOM 0 HG3 MET A 92 -17.139 11.547 -1.638 1.00 0.00 H new ATOM 0 HE1 MET A 92 -18.620 8.245 -0.453 1.00 0.00 H new ATOM 0 HE2 MET A 92 -18.795 9.668 -1.507 1.00 0.00 H new ATOM 0 HE3 MET A 92 -17.395 8.586 -1.698 1.00 0.00 H new ATOM 1344 N SER A 93 -12.606 11.185 0.030 1.00 0.00 N ATOM 1345 CA SER A 93 -12.000 11.474 1.319 1.00 0.00 C ATOM 1346 C SER A 93 -11.189 12.769 1.237 1.00 0.00 C ATOM 1347 O SER A 93 -11.133 13.532 2.201 1.00 0.00 O ATOM 1348 CB SER A 93 -11.110 10.318 1.780 1.00 0.00 C ATOM 1349 OG SER A 93 -10.271 10.693 2.869 1.00 0.00 O ATOM 0 H SER A 93 -12.252 10.346 -0.430 1.00 0.00 H new ATOM 0 HA SER A 93 -12.797 11.598 2.052 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.735 9.475 2.077 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.494 9.980 0.947 1.00 0.00 H new ATOM 0 HG SER A 93 -9.719 9.928 3.135 1.00 0.00 H new ATOM 1354 N GLY A 94 -10.580 12.977 0.079 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.775 14.166 -0.141 1.00 0.00 C ATOM 1356 C GLY A 94 -8.417 14.044 0.552 1.00 0.00 C ATOM 1357 O GLY A 94 -7.655 15.009 0.608 1.00 0.00 O ATOM 0 H GLY A 94 -10.628 12.341 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.629 14.318 -1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.303 15.042 0.237 1.00 0.00 H new ATOM 1361 N LEU A 95 -8.153 12.850 1.061 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.899 12.589 1.748 1.00 0.00 C ATOM 1363 C LEU A 95 -6.006 11.723 0.857 1.00 0.00 C ATOM 1364 O LEU A 95 -4.974 11.226 1.304 1.00 0.00 O ATOM 1365 CB LEU A 95 -7.161 11.985 3.130 1.00 0.00 C ATOM 1366 CG LEU A 95 -6.093 12.253 4.192 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -5.450 13.627 3.988 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -6.667 12.093 5.600 1.00 0.00 C ATOM 0 H LEU A 95 -8.786 12.052 1.012 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.362 13.520 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.114 12.367 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.272 10.906 3.018 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.305 11.508 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.694 13.793 4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.982 13.667 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.215 14.401 4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.887 12.289 6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.485 12.799 5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.039 11.076 5.728 1.00 0.00 H new ATOM 1379 N PHE A 96 -6.436 11.569 -0.386 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.688 10.771 -1.343 1.00 0.00 C ATOM 1381 C PHE A 96 -4.210 11.167 -1.349 1.00 0.00 C ATOM 1382 O PHE A 96 -3.339 10.324 -1.556 1.00 0.00 O ATOM 1383 CB PHE A 96 -6.285 11.053 -2.723 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.545 9.797 -3.556 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.873 8.646 -3.282 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.448 9.830 -4.573 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -6.114 7.481 -4.056 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.690 8.663 -5.346 1.00 0.00 C ATOM 1389 CZ PHE A 96 -7.018 7.513 -5.071 1.00 0.00 C ATOM 0 H PHE A 96 -7.293 11.983 -0.753 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.753 9.715 -1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -7.223 11.594 -2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.609 11.708 -3.273 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.156 8.619 -2.475 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.981 10.743 -4.793 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.579 6.568 -3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.408 8.689 -6.152 1.00 0.00 H new ATOM 0 HZ PHE A 96 -7.202 6.626 -5.659 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.972 12.450 -1.120 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.615 12.967 -1.097 1.00 0.00 C ATOM 1400 C LYS A 97 -1.843 12.311 0.049 1.00 0.00 C ATOM 1401 O LYS A 97 -0.615 12.263 0.028 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.625 14.496 -1.036 1.00 0.00 C ATOM 1403 CG LYS A 97 -3.534 15.082 -2.116 1.00 0.00 C ATOM 1404 CD LYS A 97 -4.393 16.218 -1.556 1.00 0.00 C ATOM 1405 CE LYS A 97 -5.641 16.437 -2.413 1.00 0.00 C ATOM 1406 NZ LYS A 97 -6.303 17.710 -2.050 1.00 0.00 N ATOM 0 H LYS A 97 -4.697 13.147 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.094 12.711 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.965 14.822 -0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.611 14.875 -1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.929 15.453 -2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.178 14.299 -2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.687 15.986 -0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.808 17.137 -1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.367 16.451 -3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.334 15.607 -2.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.148 17.843 -2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.582 17.683 -1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.645 18.500 -2.205 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.596 11.821 1.024 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.998 11.170 2.177 1.00 0.00 C ATOM 1417 C ILE A 98 -1.654 9.723 1.818 1.00 0.00 C ATOM 1418 O ILE A 98 -0.921 9.057 2.547 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.910 11.301 3.399 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -2.152 11.895 4.587 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.558 9.959 3.746 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -2.358 11.051 5.847 1.00 0.00 C ATOM 0 H ILE A 98 -3.615 11.862 1.039 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.064 11.661 2.451 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.715 11.993 3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -1.089 11.952 4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.493 12.914 4.768 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.201 10.080 4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.154 9.613 2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.782 9.226 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.808 11.496 6.677 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.419 11.016 6.092 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.993 10.039 5.671 1.00 0.00 H new ATOM 1433 N ILE A 99 -2.201 9.279 0.696 1.00 0.00 N ATOM 1434 CA ILE A 99 -1.961 7.924 0.231 1.00 0.00 C ATOM 1435 C ILE A 99 -1.191 7.970 -1.090 1.00 0.00 C ATOM 1436 O ILE A 99 -0.679 6.952 -1.551 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.276 7.145 0.151 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -3.806 6.819 1.549 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.116 5.889 -0.709 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -2.770 6.039 2.361 1.00 0.00 C ATOM 0 H ILE A 99 -2.810 9.834 0.095 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.338 7.382 0.943 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.019 7.777 -0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.061 7.742 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.723 6.236 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.064 5.353 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.816 6.174 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.353 5.244 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.172 5.820 3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.535 5.105 1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.863 6.635 2.462 1.00 0.00 H new ATOM 1451 N ARG A 100 -1.136 9.164 -1.663 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.438 9.356 -2.924 1.00 0.00 C ATOM 1453 C ARG A 100 -0.524 8.090 -3.778 1.00 0.00 C ATOM 1454 O ARG A 100 0.389 7.267 -3.770 1.00 0.00 O ATOM 1455 CB ARG A 100 1.034 9.706 -2.690 1.00 0.00 C ATOM 1456 CG ARG A 100 1.483 10.835 -3.619 1.00 0.00 C ATOM 1457 CD ARG A 100 2.967 10.702 -3.967 1.00 0.00 C ATOM 1458 NE ARG A 100 3.296 11.566 -5.122 1.00 0.00 N ATOM 1459 CZ ARG A 100 3.322 12.915 -5.074 1.00 0.00 C ATOM 1460 NH1 ARG A 100 3.038 13.566 -3.926 1.00 0.00 N ATOM 1461 NH2 ARG A 100 3.629 13.588 -6.168 1.00 0.00 N ATOM 0 H ARG A 100 -1.563 10.007 -1.278 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.919 10.183 -3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.180 10.005 -1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.652 8.824 -2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.889 10.817 -4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.303 11.798 -3.141 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.577 10.982 -3.108 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.202 9.664 -4.200 1.00 0.00 H new ATOM 0 HE ARG A 100 3.517 11.115 -6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.801 13.038 -3.086 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.060 14.585 -3.899 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.842 13.088 -7.031 1.00 0.00 H new ATOM 0 HH22 ARG A 100 3.653 14.608 -6.150 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.633 7.974 -4.494 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.851 6.821 -5.352 1.00 0.00 C ATOM 1473 C PHE A 101 -1.578 7.168 -6.817 1.00 0.00 C ATOM 1474 O PHE A 101 -1.351 8.331 -7.151 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.320 6.422 -5.201 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.564 4.913 -5.256 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.694 4.288 -6.456 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.651 4.195 -4.103 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.919 2.886 -6.508 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -3.877 2.795 -4.154 1.00 0.00 C ATOM 1481 CZ PHE A 101 -4.007 2.170 -5.355 1.00 0.00 C ATOM 0 H PHE A 101 -2.389 8.658 -4.498 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.178 6.013 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.694 6.806 -4.252 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.899 6.902 -5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.626 4.858 -7.371 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.548 4.691 -3.149 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.020 2.390 -7.462 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.946 2.226 -3.239 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.180 1.105 -5.393 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.610 6.141 -7.653 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.369 6.322 -9.074 1.00 0.00 C ATOM 1492 C GLU A 102 -2.302 5.426 -9.890 1.00 0.00 C ATOM 1493 O GLU A 102 -3.463 5.242 -9.529 1.00 0.00 O ATOM 1494 CB GLU A 102 0.096 6.049 -9.420 1.00 0.00 C ATOM 1495 CG GLU A 102 0.630 7.090 -10.407 1.00 0.00 C ATOM 1496 CD GLU A 102 1.077 6.429 -11.712 1.00 0.00 C ATOM 1497 OE1 GLU A 102 2.286 6.286 -11.952 1.00 0.00 O ATOM 1498 OE2 GLU A 102 0.120 6.058 -12.492 1.00 0.00 O ATOM 0 H GLU A 102 -1.800 5.179 -7.373 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.581 7.360 -9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.697 6.063 -8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.192 5.052 -9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.144 7.829 -10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.468 7.624 -9.960 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.758 4.890 -10.972 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.528 4.018 -11.842 1.00 0.00 C ATOM 1506 C GLN A 103 -1.600 3.047 -12.576 1.00 0.00 C ATOM 1507 O GLN A 103 -1.094 3.360 -13.653 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.365 4.829 -12.833 1.00 0.00 C ATOM 1509 CG GLN A 103 -3.639 6.236 -12.296 1.00 0.00 C ATOM 1510 CD GLN A 103 -4.280 7.118 -13.369 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -3.813 8.202 -13.677 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -5.371 6.594 -13.920 1.00 0.00 N ATOM 0 H GLN A 103 -0.793 5.043 -11.266 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.216 3.439 -11.225 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.842 4.895 -13.787 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -4.309 4.317 -13.021 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.297 6.176 -11.429 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.706 6.688 -11.958 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -5.708 5.681 -13.615 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -5.871 7.105 -14.648 1.00 0.00 H new ATOM 1519 N SER A 104 -1.405 1.888 -11.964 1.00 0.00 N ATOM 1520 CA SER A 104 -0.547 0.869 -12.546 1.00 0.00 C ATOM 1521 C SER A 104 0.781 1.492 -12.981 1.00 0.00 C ATOM 1522 O SER A 104 1.833 1.162 -12.435 1.00 0.00 O ATOM 1523 CB SER A 104 -1.228 0.188 -13.734 1.00 0.00 C ATOM 1524 OG SER A 104 -0.317 -0.607 -14.488 1.00 0.00 O ATOM 0 H SER A 104 -1.826 1.632 -11.071 1.00 0.00 H new ATOM 0 HA SER A 104 -0.355 0.109 -11.789 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.044 -0.439 -13.374 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.670 0.945 -14.381 1.00 0.00 H new ATOM 0 HG SER A 104 -0.791 -1.026 -15.237 1.00 0.00 H new ATOM 1529 N GLU A 105 0.690 2.378 -13.961 1.00 0.00 N ATOM 1530 CA GLU A 105 1.872 3.048 -14.476 1.00 0.00 C ATOM 1531 C GLU A 105 2.881 3.285 -13.350 1.00 0.00 C ATOM 1532 O GLU A 105 4.089 3.283 -13.584 1.00 0.00 O ATOM 1533 CB GLU A 105 1.500 4.364 -15.165 1.00 0.00 C ATOM 1534 CG GLU A 105 2.751 5.180 -15.497 1.00 0.00 C ATOM 1535 CD GLU A 105 2.624 5.840 -16.872 1.00 0.00 C ATOM 1536 OE1 GLU A 105 1.850 5.368 -17.717 1.00 0.00 O ATOM 1537 OE2 GLU A 105 3.365 6.881 -17.047 1.00 0.00 O ATOM 0 H GLU A 105 -0.184 2.648 -14.412 1.00 0.00 H new ATOM 0 HA GLU A 105 2.335 2.403 -15.223 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.944 4.156 -16.079 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.843 4.945 -14.517 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.904 5.944 -14.735 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.628 4.532 -15.480 1.00 0.00 H new ATOM 1543 N GLN A 106 2.349 3.484 -12.154 1.00 0.00 N ATOM 1544 CA GLN A 106 3.188 3.721 -10.991 1.00 0.00 C ATOM 1545 C GLN A 106 4.036 2.486 -10.688 1.00 0.00 C ATOM 1546 O GLN A 106 4.930 2.533 -9.845 1.00 0.00 O ATOM 1547 CB GLN A 106 2.344 4.119 -9.778 1.00 0.00 C ATOM 1548 CG GLN A 106 3.084 3.817 -8.474 1.00 0.00 C ATOM 1549 CD GLN A 106 2.544 4.674 -7.326 1.00 0.00 C ATOM 1550 OE1 GLN A 106 1.916 4.190 -6.399 1.00 0.00 O ATOM 1551 NE2 GLN A 106 2.822 5.970 -7.441 1.00 0.00 N ATOM 0 H GLN A 106 1.347 3.486 -11.964 1.00 0.00 H new ATOM 0 HA GLN A 106 3.858 4.551 -11.214 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.107 5.182 -9.828 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.397 3.580 -9.796 1.00 0.00 H new ATOM 0 HG2 GLN A 106 2.976 2.761 -8.226 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.150 4.006 -8.604 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.353 6.308 -8.244 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.504 6.625 -6.727 1.00 0.00 H new ATOM 1558 N GLN A 107 3.726 1.406 -11.391 1.00 0.00 N ATOM 1559 CA GLN A 107 4.449 0.159 -11.208 1.00 0.00 C ATOM 1560 C GLN A 107 5.937 0.437 -10.983 1.00 0.00 C ATOM 1561 O GLN A 107 6.620 -0.331 -10.307 1.00 0.00 O ATOM 1562 CB GLN A 107 4.239 -0.776 -12.399 1.00 0.00 C ATOM 1563 CG GLN A 107 5.219 -1.951 -12.353 1.00 0.00 C ATOM 1564 CD GLN A 107 4.930 -2.950 -13.475 1.00 0.00 C ATOM 1565 OE1 GLN A 107 4.341 -3.999 -13.272 1.00 0.00 O ATOM 1566 NE2 GLN A 107 5.377 -2.568 -14.669 1.00 0.00 N ATOM 0 H GLN A 107 2.983 1.369 -12.089 1.00 0.00 H new ATOM 0 HA GLN A 107 4.055 -0.341 -10.323 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.216 -1.151 -12.396 1.00 0.00 H new ATOM 0 HB3 GLN A 107 4.373 -0.223 -13.328 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.240 -1.581 -12.445 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.147 -2.452 -11.388 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.863 -1.677 -14.771 1.00 0.00 H new ATOM 0 HE22 GLN A 107 5.234 -3.166 -15.483 1.00 0.00 H new ATOM 1573 N ALA A 108 6.395 1.536 -11.564 1.00 0.00 N ATOM 1574 CA ALA A 108 7.790 1.923 -11.437 1.00 0.00 C ATOM 1575 C ALA A 108 7.974 2.732 -10.150 1.00 0.00 C ATOM 1576 O ALA A 108 8.967 2.564 -9.444 1.00 0.00 O ATOM 1577 CB ALA A 108 8.219 2.703 -12.681 1.00 0.00 C ATOM 0 H ALA A 108 5.825 2.171 -12.124 1.00 0.00 H new ATOM 0 HA ALA A 108 8.428 1.042 -11.368 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.265 2.993 -12.586 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.095 2.076 -13.564 1.00 0.00 H new ATOM 0 HB3 ALA A 108 7.602 3.596 -12.781 1.00 0.00 H new ATOM 1583 N LEU A 109 7.001 3.592 -9.885 1.00 0.00 N ATOM 1584 CA LEU A 109 7.043 4.426 -8.696 1.00 0.00 C ATOM 1585 C LEU A 109 6.909 3.543 -7.453 1.00 0.00 C ATOM 1586 O LEU A 109 7.424 3.882 -6.389 1.00 0.00 O ATOM 1587 CB LEU A 109 5.991 5.533 -8.781 1.00 0.00 C ATOM 1588 CG LEU A 109 6.525 6.967 -8.801 1.00 0.00 C ATOM 1589 CD1 LEU A 109 5.461 7.941 -9.308 1.00 0.00 C ATOM 1590 CD2 LEU A 109 7.064 7.370 -7.426 1.00 0.00 C ATOM 0 H LEU A 109 6.179 3.729 -10.473 1.00 0.00 H new ATOM 0 HA LEU A 109 8.003 4.936 -8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.398 5.375 -9.682 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.315 5.430 -7.932 1.00 0.00 H new ATOM 0 HG LEU A 109 7.360 7.011 -9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.866 8.953 -9.312 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.167 7.664 -10.320 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.590 7.902 -8.653 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.437 8.393 -7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.264 7.305 -6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.875 6.699 -7.142 1.00 0.00 H new ATOM 1601 N LEU A 110 6.215 2.430 -7.631 1.00 0.00 N ATOM 1602 CA LEU A 110 6.007 1.495 -6.537 1.00 0.00 C ATOM 1603 C LEU A 110 7.342 1.227 -5.840 1.00 0.00 C ATOM 1604 O LEU A 110 7.410 1.192 -4.612 1.00 0.00 O ATOM 1605 CB LEU A 110 5.309 0.229 -7.039 1.00 0.00 C ATOM 1606 CG LEU A 110 3.863 0.401 -7.507 1.00 0.00 C ATOM 1607 CD1 LEU A 110 3.340 -0.883 -8.156 1.00 0.00 C ATOM 1608 CD2 LEU A 110 2.967 0.870 -6.359 1.00 0.00 C ATOM 0 H LEU A 110 5.789 2.153 -8.516 1.00 0.00 H new ATOM 0 HA LEU A 110 5.338 1.924 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.891 -0.180 -7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.326 -0.512 -6.240 1.00 0.00 H new ATOM 0 HG LEU A 110 3.841 1.179 -8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.310 -0.734 -8.480 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.959 -1.133 -9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.378 -1.698 -7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.944 0.984 -6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.989 0.133 -5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.328 1.827 -5.983 1.00 0.00 H new ATOM 1619 N THR A 111 8.372 1.043 -6.655 1.00 0.00 N ATOM 1620 CA THR A 111 9.700 0.779 -6.131 1.00 0.00 C ATOM 1621 C THR A 111 10.137 1.903 -5.189 1.00 0.00 C ATOM 1622 O THR A 111 11.210 1.836 -4.592 1.00 0.00 O ATOM 1623 CB THR A 111 10.646 0.580 -7.318 1.00 0.00 C ATOM 1624 OG1 THR A 111 11.079 -0.772 -7.195 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.932 1.397 -7.186 1.00 0.00 C ATOM 0 H THR A 111 8.312 1.072 -7.673 1.00 0.00 H new ATOM 0 HA THR A 111 9.713 -0.130 -5.529 1.00 0.00 H new ATOM 0 HB THR A 111 10.134 0.857 -8.240 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.695 -0.986 -7.926 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.567 1.219 -8.054 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.685 2.457 -7.128 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.462 1.098 -6.282 1.00 0.00 H new ATOM 1633 N LEU A 112 9.282 2.910 -5.086 1.00 0.00 N ATOM 1634 CA LEU A 112 9.566 4.047 -4.227 1.00 0.00 C ATOM 1635 C LEU A 112 10.022 5.228 -5.086 1.00 0.00 C ATOM 1636 O LEU A 112 10.655 6.156 -4.585 1.00 0.00 O ATOM 1637 CB LEU A 112 10.566 3.658 -3.136 1.00 0.00 C ATOM 1638 CG LEU A 112 12.011 4.106 -3.360 1.00 0.00 C ATOM 1639 CD1 LEU A 112 12.436 5.136 -2.311 1.00 0.00 C ATOM 1640 CD2 LEU A 112 12.957 2.905 -3.400 1.00 0.00 C ATOM 0 H LEU A 112 8.393 2.962 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 112 8.664 4.363 -3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.220 4.073 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.555 2.573 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 112 12.070 4.595 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.467 5.437 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 112 11.786 6.009 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.357 4.696 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.978 3.251 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.901 2.366 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.667 2.240 -4.214 1.00 0.00 H new ATOM 1651 N GLY A 113 9.681 5.155 -6.364 1.00 0.00 N ATOM 1652 CA GLY A 113 10.047 6.208 -7.298 1.00 0.00 C ATOM 1653 C GLY A 113 11.556 6.213 -7.552 1.00 0.00 C ATOM 1654 O GLY A 113 12.060 7.049 -8.301 1.00 0.00 O ATOM 0 H GLY A 113 9.155 4.384 -6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 113 9.516 6.065 -8.239 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.738 7.175 -6.901 1.00 0.00 H new ATOM 1658 N VAL A 114 12.235 5.270 -6.916 1.00 0.00 N ATOM 1659 CA VAL A 114 13.676 5.157 -7.063 1.00 0.00 C ATOM 1660 C VAL A 114 14.025 3.748 -7.548 1.00 0.00 C ATOM 1661 O VAL A 114 13.351 3.203 -8.421 1.00 0.00 O ATOM 1662 CB VAL A 114 14.368 5.524 -5.749 1.00 0.00 C ATOM 1663 CG1 VAL A 114 15.863 5.766 -5.966 1.00 0.00 C ATOM 1664 CG2 VAL A 114 13.704 6.742 -5.103 1.00 0.00 C ATOM 0 H VAL A 114 11.814 4.577 -6.297 1.00 0.00 H new ATOM 0 HA VAL A 114 14.039 5.860 -7.813 1.00 0.00 H new ATOM 0 HB VAL A 114 14.261 4.681 -5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 114 16.331 6.025 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 114 16.324 4.862 -6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.000 6.584 -6.673 1.00 0.00 H new ATOM 0 HG21 VAL A 114 14.214 6.983 -4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 114 13.767 7.593 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.657 6.519 -4.897 1.00 0.00 H new ATOM 1674 N ALA A 115 15.079 3.198 -6.962 1.00 0.00 N ATOM 1675 CA ALA A 115 15.525 1.864 -7.323 1.00 0.00 C ATOM 1676 C ALA A 115 15.271 1.631 -8.814 1.00 0.00 C ATOM 1677 O ALA A 115 14.902 0.532 -9.220 1.00 0.00 O ATOM 1678 CB ALA A 115 14.815 0.832 -6.443 1.00 0.00 C ATOM 0 H ALA A 115 15.637 3.653 -6.239 1.00 0.00 H new ATOM 0 HA ALA A 115 16.596 1.759 -7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.150 -0.169 -6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 115 15.051 1.023 -5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.738 0.907 -6.591 1.00 0.00 H new ATOM 1684 N SER A 116 15.478 2.687 -9.588 1.00 0.00 N ATOM 1685 CA SER A 116 15.275 2.612 -11.025 1.00 0.00 C ATOM 1686 C SER A 116 13.996 1.831 -11.334 1.00 0.00 C ATOM 1687 O SER A 116 12.999 1.963 -10.625 1.00 0.00 O ATOM 1688 CB SER A 116 16.475 1.960 -11.717 1.00 0.00 C ATOM 1689 OG SER A 116 16.526 2.275 -13.105 1.00 0.00 O ATOM 0 H SER A 116 15.784 3.598 -9.247 1.00 0.00 H new ATOM 0 HA SER A 116 15.174 3.627 -11.409 1.00 0.00 H new ATOM 0 HB2 SER A 116 17.395 2.292 -11.236 1.00 0.00 H new ATOM 0 HB3 SER A 116 16.422 0.878 -11.592 1.00 0.00 H new ATOM 0 HG SER A 116 17.306 1.842 -13.510 1.00 0.00 H new TER 1694 SER A 116