USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 741 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 65 HIS : no HD1:sc= 1.77 K(o=3,f=-8.4!) USER MOD Set 1.2: B 95 THR OG1 : rot -66:sc= 1.21 USER MOD Set 2.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 28 ASN :FLIP amide:sc= 0.791 F(o=-2.6!,f=1.7) USER MOD Set 3.2: A 61 THR OG1 : rot -72:sc= 0.898 USER MOD Set 4.1: A 10 CYS SG : rot 180:sc= 0.798 USER MOD Set 4.2: A 81 THR OG1 : rot -63:sc= 0.54 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc=-0.00179 X(o=-0.0018,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0783 K(o=-0.078,f=-3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.891 K(o=-0.89,f=-1.9!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.71) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.314 K(o=0.31,f=-6.5!) USER MOD Single : A 58 THR OG1 : rot 30:sc= 1.14 USER MOD Single : A 62 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-2.6!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= -0.165 (180deg=-0.502) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -7.88! C(o=-7.9!,f=-10!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= 0.397 X(o=0.4,f=0) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.095 16.920 -20.618 1.00 0.00 N ATOM 2 CA GLY A 1 8.076 17.358 -22.043 1.00 0.00 C ATOM 3 C GLY A 1 9.150 16.683 -22.880 1.00 0.00 C ATOM 4 O GLY A 1 8.842 15.892 -23.771 1.00 0.00 O ATOM 0 H1 GLY A 1 7.343 17.411 -20.094 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.938 15.893 -20.568 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.018 17.150 -20.196 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.098 17.142 -22.472 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.212 18.439 -22.088 1.00 0.00 H new ATOM 10 N SER A 2 10.414 17.000 -22.592 1.00 0.00 N ATOM 11 CA SER A 2 11.540 16.421 -23.324 1.00 0.00 C ATOM 12 C SER A 2 12.173 15.258 -22.552 1.00 0.00 C ATOM 13 O SER A 2 12.612 14.275 -23.151 1.00 0.00 O ATOM 14 CB SER A 2 12.597 17.494 -23.608 1.00 0.00 C ATOM 15 OG SER A 2 13.309 17.208 -24.799 1.00 0.00 O ATOM 0 H SER A 2 10.682 17.654 -21.857 1.00 0.00 H new ATOM 0 HA SER A 2 11.157 16.033 -24.268 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.116 18.468 -23.694 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.292 17.554 -22.771 1.00 0.00 H new ATOM 0 HG SER A 2 13.976 17.909 -24.958 1.00 0.00 H new ATOM 21 N HIS A 3 12.223 15.375 -21.223 1.00 0.00 N ATOM 22 CA HIS A 3 12.810 14.333 -20.383 1.00 0.00 C ATOM 23 C HIS A 3 11.735 13.414 -19.805 1.00 0.00 C ATOM 24 O HIS A 3 10.779 13.882 -19.182 1.00 0.00 O ATOM 25 CB HIS A 3 13.624 14.957 -19.247 1.00 0.00 C ATOM 26 CG HIS A 3 14.904 15.589 -19.701 1.00 0.00 C ATOM 27 ND1 HIS A 3 14.949 16.741 -20.459 1.00 0.00 N ATOM 28 CD2 HIS A 3 16.192 15.225 -19.496 1.00 0.00 C ATOM 29 CE1 HIS A 3 16.209 17.058 -20.699 1.00 0.00 C ATOM 30 NE2 HIS A 3 16.982 16.156 -20.125 1.00 0.00 N ATOM 0 H HIS A 3 11.865 16.179 -20.708 1.00 0.00 H new ATOM 0 HA HIS A 3 13.470 13.735 -21.011 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.015 15.710 -18.746 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.851 14.188 -18.509 1.00 0.00 H new ATOM 0 HD2 HIS A 3 16.534 14.364 -18.942 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.548 17.911 -21.268 1.00 0.00 H new ATOM 0 HE2 HIS A 3 18.002 16.151 -20.145 1.00 0.00 H new ATOM 39 N MET A 4 11.905 12.108 -20.012 1.00 0.00 N ATOM 40 CA MET A 4 10.956 11.115 -19.507 1.00 0.00 C ATOM 41 C MET A 4 11.686 9.866 -19.015 1.00 0.00 C ATOM 42 O MET A 4 12.614 9.382 -19.666 1.00 0.00 O ATOM 43 CB MET A 4 9.937 10.737 -20.591 1.00 0.00 C ATOM 44 CG MET A 4 10.563 10.229 -21.881 1.00 0.00 C ATOM 45 SD MET A 4 9.497 9.065 -22.756 1.00 0.00 S ATOM 46 CE MET A 4 10.381 7.529 -22.496 1.00 0.00 C ATOM 0 H MET A 4 12.692 11.713 -20.526 1.00 0.00 H new ATOM 0 HA MET A 4 10.423 11.559 -18.666 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.270 9.970 -20.196 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.322 11.608 -20.816 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.783 11.075 -22.532 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.513 9.746 -21.654 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.843 6.713 -22.980 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.381 7.608 -22.923 1.00 0.00 H new ATOM 0 HE3 MET A 4 10.457 7.330 -21.427 1.00 0.00 H new ATOM 56 N GLY A 5 11.262 9.349 -17.862 1.00 0.00 N ATOM 57 CA GLY A 5 11.890 8.163 -17.305 1.00 0.00 C ATOM 58 C GLY A 5 11.186 7.655 -16.059 1.00 0.00 C ATOM 59 O GLY A 5 11.714 7.773 -14.952 1.00 0.00 O ATOM 0 H GLY A 5 10.497 9.730 -17.306 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.900 7.375 -18.058 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.929 8.387 -17.064 1.00 0.00 H new ATOM 63 N LEU A 6 9.993 7.087 -16.241 1.00 0.00 N ATOM 64 CA LEU A 6 9.214 6.556 -15.124 1.00 0.00 C ATOM 65 C LEU A 6 8.364 5.360 -15.561 1.00 0.00 C ATOM 66 O LEU A 6 7.619 5.443 -16.539 1.00 0.00 O ATOM 67 CB LEU A 6 8.317 7.650 -14.535 1.00 0.00 C ATOM 68 CG LEU A 6 8.247 7.678 -13.006 1.00 0.00 C ATOM 69 CD1 LEU A 6 7.613 8.976 -12.528 1.00 0.00 C ATOM 70 CD2 LEU A 6 7.467 6.480 -12.486 1.00 0.00 C ATOM 0 H LEU A 6 9.546 6.983 -17.152 1.00 0.00 H new ATOM 0 HA LEU A 6 9.912 6.216 -14.359 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.674 8.619 -14.885 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.308 7.522 -14.927 1.00 0.00 H new ATOM 0 HG LEU A 6 9.262 7.624 -12.612 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.570 8.981 -11.439 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.210 9.821 -12.871 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.604 9.058 -12.931 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.427 6.516 -11.397 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.454 6.504 -12.887 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.960 5.560 -12.801 1.00 0.00 H new ATOM 82 N VAL A 7 8.483 4.250 -14.826 1.00 0.00 N ATOM 83 CA VAL A 7 7.727 3.035 -15.132 1.00 0.00 C ATOM 84 C VAL A 7 6.827 2.627 -13.962 1.00 0.00 C ATOM 85 O VAL A 7 7.263 2.613 -12.808 1.00 0.00 O ATOM 86 CB VAL A 7 8.670 1.861 -15.491 1.00 0.00 C ATOM 87 CG1 VAL A 7 9.579 1.511 -14.319 1.00 0.00 C ATOM 88 CG2 VAL A 7 7.870 0.643 -15.936 1.00 0.00 C ATOM 0 H VAL A 7 9.096 4.169 -14.015 1.00 0.00 H new ATOM 0 HA VAL A 7 7.101 3.261 -15.995 1.00 0.00 H new ATOM 0 HB VAL A 7 9.300 2.178 -16.322 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.231 0.683 -14.599 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.185 2.378 -14.057 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.972 1.221 -13.462 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.553 -0.170 -16.183 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.208 0.328 -15.129 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.277 0.898 -16.814 1.00 0.00 H new ATOM 98 N GLN A 8 5.572 2.294 -14.272 1.00 0.00 N ATOM 99 CA GLN A 8 4.604 1.884 -13.252 1.00 0.00 C ATOM 100 C GLN A 8 4.151 0.437 -13.463 1.00 0.00 C ATOM 101 O GLN A 8 3.989 -0.014 -14.599 1.00 0.00 O ATOM 102 CB GLN A 8 3.392 2.823 -13.255 1.00 0.00 C ATOM 103 CG GLN A 8 2.591 2.800 -14.551 1.00 0.00 C ATOM 104 CD GLN A 8 1.342 3.660 -14.481 1.00 0.00 C ATOM 105 OE1 GLN A 8 1.415 4.887 -14.548 1.00 0.00 O ATOM 106 NE2 GLN A 8 0.185 3.019 -14.345 1.00 0.00 N ATOM 0 H GLN A 8 5.202 2.300 -15.222 1.00 0.00 H new ATOM 0 HA GLN A 8 5.098 1.945 -12.282 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.734 2.553 -12.429 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.734 3.841 -13.070 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.221 3.147 -15.370 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.308 1.773 -14.781 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.169 2.000 -14.293 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.687 3.546 -14.292 1.00 0.00 H new ATOM 115 N ARG A 9 3.950 -0.281 -12.356 1.00 0.00 N ATOM 116 CA ARG A 9 3.517 -1.677 -12.401 1.00 0.00 C ATOM 117 C ARG A 9 2.677 -2.039 -11.172 1.00 0.00 C ATOM 118 O ARG A 9 2.791 -1.406 -10.120 1.00 0.00 O ATOM 119 CB ARG A 9 4.733 -2.605 -12.486 1.00 0.00 C ATOM 120 CG ARG A 9 4.524 -3.804 -13.398 1.00 0.00 C ATOM 121 CD ARG A 9 5.367 -4.992 -12.960 1.00 0.00 C ATOM 122 NE ARG A 9 5.099 -6.181 -13.768 1.00 0.00 N ATOM 123 CZ ARG A 9 5.564 -6.365 -15.008 1.00 0.00 C ATOM 124 NH1 ARG A 9 6.325 -5.439 -15.589 1.00 0.00 N ATOM 125 NH2 ARG A 9 5.265 -7.479 -15.669 1.00 0.00 N ATOM 0 H ARG A 9 4.081 0.085 -11.413 1.00 0.00 H new ATOM 0 HA ARG A 9 2.898 -1.806 -13.289 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.591 -2.034 -12.842 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.979 -2.959 -11.485 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.471 -4.084 -13.397 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.780 -3.532 -14.422 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.423 -4.734 -13.034 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.165 -5.213 -11.912 1.00 0.00 H new ATOM 0 HE ARG A 9 4.521 -6.916 -13.360 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.557 -4.582 -15.088 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.676 -5.587 -16.535 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.682 -8.191 -15.230 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.619 -7.621 -16.615 1.00 0.00 H new ATOM 139 N CYS A 10 1.837 -3.067 -11.314 1.00 0.00 N ATOM 140 CA CYS A 10 0.978 -3.522 -10.221 1.00 0.00 C ATOM 141 C CYS A 10 1.696 -4.559 -9.357 1.00 0.00 C ATOM 142 O CYS A 10 2.246 -5.535 -9.872 1.00 0.00 O ATOM 143 CB CYS A 10 -0.319 -4.120 -10.774 1.00 0.00 C ATOM 144 SG CYS A 10 -1.355 -2.939 -11.669 1.00 0.00 S ATOM 0 H CYS A 10 1.734 -3.600 -12.177 1.00 0.00 H new ATOM 0 HA CYS A 10 0.738 -2.658 -9.601 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.070 -4.946 -11.440 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.894 -4.538 -9.948 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.425 -3.539 -12.099 1.00 0.00 H new ATOM 150 N VAL A 11 1.686 -4.341 -8.042 1.00 0.00 N ATOM 151 CA VAL A 11 2.337 -5.254 -7.103 1.00 0.00 C ATOM 152 C VAL A 11 1.310 -5.938 -6.197 1.00 0.00 C ATOM 153 O VAL A 11 0.575 -5.271 -5.468 1.00 0.00 O ATOM 154 CB VAL A 11 3.373 -4.516 -6.227 1.00 0.00 C ATOM 155 CG1 VAL A 11 4.178 -5.507 -5.399 1.00 0.00 C ATOM 156 CG2 VAL A 11 4.295 -3.660 -7.088 1.00 0.00 C ATOM 0 H VAL A 11 1.234 -3.539 -7.603 1.00 0.00 H new ATOM 0 HA VAL A 11 2.850 -6.009 -7.699 1.00 0.00 H new ATOM 0 HB VAL A 11 2.836 -3.857 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.902 -4.967 -4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.506 -6.070 -4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.703 -6.194 -6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.017 -3.149 -6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.824 -4.296 -7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.704 -2.922 -7.631 1.00 0.00 H new ATOM 166 N ILE A 12 1.267 -7.270 -6.248 1.00 0.00 N ATOM 167 CA ILE A 12 0.331 -8.044 -5.431 1.00 0.00 C ATOM 168 C ILE A 12 1.014 -8.585 -4.175 1.00 0.00 C ATOM 169 O ILE A 12 2.004 -9.313 -4.264 1.00 0.00 O ATOM 170 CB ILE A 12 -0.274 -9.229 -6.219 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.780 -8.769 -7.592 1.00 0.00 C ATOM 172 CG2 ILE A 12 -1.399 -9.874 -5.420 1.00 0.00 C ATOM 173 CD1 ILE A 12 0.237 -8.935 -8.703 1.00 0.00 C ATOM 0 H ILE A 12 1.869 -7.835 -6.846 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.470 -7.362 -5.147 1.00 0.00 H new ATOM 0 HB ILE A 12 0.508 -9.971 -6.380 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.678 -9.333 -7.846 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.069 -7.720 -7.530 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.816 -10.707 -5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.008 -10.240 -4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.179 -9.137 -5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.192 -8.589 -9.643 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.127 -8.349 -8.472 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.509 -9.987 -8.793 1.00 0.00 H new ATOM 185 N ILE A 13 0.480 -8.226 -3.007 1.00 0.00 N ATOM 186 CA ILE A 13 1.043 -8.676 -1.734 1.00 0.00 C ATOM 187 C ILE A 13 0.008 -9.445 -0.910 1.00 0.00 C ATOM 188 O ILE A 13 -1.130 -9.002 -0.759 1.00 0.00 O ATOM 189 CB ILE A 13 1.570 -7.488 -0.898 1.00 0.00 C ATOM 190 CG1 ILE A 13 2.428 -6.555 -1.764 1.00 0.00 C ATOM 191 CG2 ILE A 13 2.371 -7.990 0.296 1.00 0.00 C ATOM 192 CD1 ILE A 13 2.935 -5.337 -1.023 1.00 0.00 C ATOM 0 H ILE A 13 -0.340 -7.626 -2.916 1.00 0.00 H new ATOM 0 HA ILE A 13 1.874 -9.338 -1.976 1.00 0.00 H new ATOM 0 HB ILE A 13 0.714 -6.923 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.279 -7.114 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.842 -6.229 -2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.734 -7.140 0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.734 -8.611 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.218 -8.579 -0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.533 -4.724 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.089 -4.755 -0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.549 -5.654 -0.180 1.00 0.00 H new ATOM 204 N GLN A 14 0.419 -10.596 -0.373 1.00 0.00 N ATOM 205 CA GLN A 14 -0.463 -11.434 0.446 1.00 0.00 C ATOM 206 C GLN A 14 -0.269 -11.135 1.935 1.00 0.00 C ATOM 207 O GLN A 14 0.667 -10.431 2.317 1.00 0.00 O ATOM 208 CB GLN A 14 -0.197 -12.920 0.177 1.00 0.00 C ATOM 209 CG GLN A 14 -0.063 -13.269 -1.299 1.00 0.00 C ATOM 210 CD GLN A 14 -0.216 -14.756 -1.563 1.00 0.00 C ATOM 211 OE1 GLN A 14 0.750 -15.440 -1.902 1.00 0.00 O ATOM 212 NE2 GLN A 14 -1.434 -15.266 -1.407 1.00 0.00 N ATOM 0 H GLN A 14 1.360 -10.971 -0.491 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.493 -11.203 0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.717 -13.214 0.694 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.009 -13.507 0.606 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.816 -12.723 -1.867 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.911 -12.938 -1.660 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.207 -14.663 -1.125 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.595 -16.260 -1.570 1.00 0.00 H new ATOM 221 N LYS A 15 -1.156 -11.673 2.774 1.00 0.00 N ATOM 222 CA LYS A 15 -1.071 -11.461 4.221 1.00 0.00 C ATOM 223 C LYS A 15 -0.319 -12.605 4.901 1.00 0.00 C ATOM 224 O LYS A 15 -0.756 -13.757 4.865 1.00 0.00 O ATOM 225 CB LYS A 15 -2.470 -11.322 4.828 1.00 0.00 C ATOM 226 CG LYS A 15 -2.477 -10.643 6.191 1.00 0.00 C ATOM 227 CD LYS A 15 -2.546 -11.657 7.325 1.00 0.00 C ATOM 228 CE LYS A 15 -3.959 -11.779 7.880 1.00 0.00 C ATOM 229 NZ LYS A 15 -4.257 -10.728 8.896 1.00 0.00 N ATOM 0 H LYS A 15 -1.939 -12.257 2.479 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.518 -10.537 4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.099 -10.752 4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.916 -12.312 4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.578 -10.036 6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.329 -9.966 6.256 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.210 -12.630 6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.865 -11.359 8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.676 -11.706 7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.087 -12.764 8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.229 -10.849 9.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.590 -10.813 9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.161 -9.788 8.462 1.00 0.00 H new ATOM 243 N ASP A 16 0.815 -12.274 5.520 1.00 0.00 N ATOM 244 CA ASP A 16 1.638 -13.263 6.212 1.00 0.00 C ATOM 245 C ASP A 16 1.288 -13.322 7.698 1.00 0.00 C ATOM 246 O ASP A 16 0.339 -12.676 8.148 1.00 0.00 O ATOM 247 CB ASP A 16 3.121 -12.922 6.037 1.00 0.00 C ATOM 248 CG ASP A 16 3.932 -14.093 5.517 1.00 0.00 C ATOM 249 OD1 ASP A 16 3.761 -15.214 6.043 1.00 0.00 O ATOM 250 OD2 ASP A 16 4.735 -13.890 4.583 1.00 0.00 O ATOM 0 H ASP A 16 1.184 -11.324 5.555 1.00 0.00 H new ATOM 0 HA ASP A 16 1.438 -14.241 5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.218 -12.083 5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.531 -12.598 6.994 1.00 0.00 H new ATOM 255 N ASP A 17 2.064 -14.097 8.460 1.00 0.00 N ATOM 256 CA ASP A 17 1.837 -14.231 9.898 1.00 0.00 C ATOM 257 C ASP A 17 1.867 -12.869 10.591 1.00 0.00 C ATOM 258 O ASP A 17 1.111 -12.627 11.533 1.00 0.00 O ATOM 259 CB ASP A 17 2.886 -15.155 10.524 1.00 0.00 C ATOM 260 CG ASP A 17 2.519 -15.576 11.936 1.00 0.00 C ATOM 261 OD1 ASP A 17 1.415 -16.132 12.123 1.00 0.00 O ATOM 262 OD2 ASP A 17 3.334 -15.348 12.853 1.00 0.00 O ATOM 0 H ASP A 17 2.852 -14.639 8.105 1.00 0.00 H new ATOM 0 HA ASP A 17 0.848 -14.668 10.038 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.002 -16.042 9.902 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.851 -14.648 10.538 1.00 0.00 H new ATOM 267 N ASN A 18 2.741 -11.981 10.118 1.00 0.00 N ATOM 268 CA ASN A 18 2.865 -10.643 10.695 1.00 0.00 C ATOM 269 C ASN A 18 2.192 -9.583 9.812 1.00 0.00 C ATOM 270 O ASN A 18 2.409 -8.384 10.001 1.00 0.00 O ATOM 271 CB ASN A 18 4.343 -10.288 10.900 1.00 0.00 C ATOM 272 CG ASN A 18 5.003 -11.114 11.993 1.00 0.00 C ATOM 273 OD1 ASN A 18 4.573 -12.229 12.292 1.00 0.00 O ATOM 274 ND2 ASN A 18 6.054 -10.570 12.598 1.00 0.00 N ATOM 0 H ASN A 18 3.373 -12.164 9.338 1.00 0.00 H new ATOM 0 HA ASN A 18 2.357 -10.651 11.659 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.881 -10.437 9.964 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.426 -9.230 11.150 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.536 -11.079 13.339 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.379 -9.644 12.321 1.00 0.00 H new ATOM 281 N GLY A 19 1.377 -10.024 8.849 1.00 0.00 N ATOM 282 CA GLY A 19 0.696 -9.094 7.964 1.00 0.00 C ATOM 283 C GLY A 19 1.468 -8.844 6.681 1.00 0.00 C ATOM 284 O GLY A 19 2.115 -9.751 6.152 1.00 0.00 O ATOM 0 H GLY A 19 1.179 -11.008 8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.291 -9.486 7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.544 -8.148 8.483 1.00 0.00 H new ATOM 288 N PHE A 20 1.400 -7.610 6.181 1.00 0.00 N ATOM 289 CA PHE A 20 2.098 -7.236 4.950 1.00 0.00 C ATOM 290 C PHE A 20 3.505 -6.717 5.253 1.00 0.00 C ATOM 291 O PHE A 20 4.448 -6.990 4.507 1.00 0.00 O ATOM 292 CB PHE A 20 1.306 -6.171 4.182 1.00 0.00 C ATOM 293 CG PHE A 20 -0.069 -6.617 3.761 1.00 0.00 C ATOM 294 CD1 PHE A 20 -1.122 -6.618 4.664 1.00 0.00 C ATOM 295 CD2 PHE A 20 -0.309 -7.033 2.460 1.00 0.00 C ATOM 296 CE1 PHE A 20 -2.386 -7.025 4.276 1.00 0.00 C ATOM 297 CE2 PHE A 20 -1.569 -7.439 2.068 1.00 0.00 C ATOM 298 CZ PHE A 20 -2.609 -7.435 2.977 1.00 0.00 C ATOM 0 H PHE A 20 0.869 -6.852 6.609 1.00 0.00 H new ATOM 0 HA PHE A 20 2.183 -8.130 4.332 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.214 -5.282 4.805 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.870 -5.882 3.296 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.953 -6.297 5.681 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.500 -7.039 1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.197 -7.022 4.989 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.741 -7.760 1.051 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.595 -7.752 2.672 1.00 0.00 H new ATOM 308 N GLY A 21 3.636 -5.969 6.353 1.00 0.00 N ATOM 309 CA GLY A 21 4.927 -5.423 6.744 1.00 0.00 C ATOM 310 C GLY A 21 5.475 -4.425 5.739 1.00 0.00 C ATOM 311 O GLY A 21 6.521 -4.663 5.131 1.00 0.00 O ATOM 0 H GLY A 21 2.867 -5.733 6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.832 -4.938 7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.640 -6.239 6.864 1.00 0.00 H new ATOM 315 N LEU A 22 4.771 -3.306 5.561 1.00 0.00 N ATOM 316 CA LEU A 22 5.202 -2.271 4.619 1.00 0.00 C ATOM 317 C LEU A 22 4.766 -0.883 5.081 1.00 0.00 C ATOM 318 O LEU A 22 3.631 -0.693 5.516 1.00 0.00 O ATOM 319 CB LEU A 22 4.644 -2.551 3.218 1.00 0.00 C ATOM 320 CG LEU A 22 3.148 -2.877 3.162 1.00 0.00 C ATOM 321 CD1 LEU A 22 2.328 -1.610 2.959 1.00 0.00 C ATOM 322 CD2 LEU A 22 2.863 -3.882 2.057 1.00 0.00 C ATOM 0 H LEU A 22 3.904 -3.093 6.054 1.00 0.00 H new ATOM 0 HA LEU A 22 6.291 -2.294 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.833 -1.681 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.197 -3.384 2.784 1.00 0.00 H new ATOM 0 HG LEU A 22 2.858 -3.321 4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.269 -1.864 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.508 -0.924 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.620 -1.134 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.796 -4.102 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.170 -3.465 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.418 -4.800 2.248 1.00 0.00 H new ATOM 334 N THR A 23 5.676 0.085 4.970 1.00 0.00 N ATOM 335 CA THR A 23 5.392 1.462 5.364 1.00 0.00 C ATOM 336 C THR A 23 5.238 2.352 4.133 1.00 0.00 C ATOM 337 O THR A 23 6.063 2.309 3.218 1.00 0.00 O ATOM 338 CB THR A 23 6.504 2.003 6.266 1.00 0.00 C ATOM 339 OG1 THR A 23 6.758 1.112 7.339 1.00 0.00 O ATOM 340 CG2 THR A 23 6.186 3.359 6.859 1.00 0.00 C ATOM 0 H THR A 23 6.619 -0.062 4.609 1.00 0.00 H new ATOM 0 HA THR A 23 4.455 1.470 5.920 1.00 0.00 H new ATOM 0 HB THR A 23 7.377 2.102 5.621 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.473 1.475 7.903 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.015 3.685 7.488 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.034 4.081 6.056 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.280 3.290 7.461 1.00 0.00 H new ATOM 348 N VAL A 24 4.175 3.154 4.112 1.00 0.00 N ATOM 349 CA VAL A 24 3.909 4.046 2.988 1.00 0.00 C ATOM 350 C VAL A 24 3.286 5.365 3.455 1.00 0.00 C ATOM 351 O VAL A 24 2.473 5.385 4.383 1.00 0.00 O ATOM 352 CB VAL A 24 2.990 3.363 1.949 1.00 0.00 C ATOM 353 CG1 VAL A 24 1.626 3.038 2.548 1.00 0.00 C ATOM 354 CG2 VAL A 24 2.846 4.223 0.705 1.00 0.00 C ATOM 0 H VAL A 24 3.485 3.203 4.861 1.00 0.00 H new ATOM 0 HA VAL A 24 4.866 4.270 2.517 1.00 0.00 H new ATOM 0 HB VAL A 24 3.457 2.422 1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.002 2.559 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.752 2.365 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.147 3.958 2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.195 3.721 -0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.413 5.186 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.827 4.380 0.256 1.00 0.00 H new ATOM 364 N SER A 25 3.682 6.466 2.814 1.00 0.00 N ATOM 365 CA SER A 25 3.173 7.788 3.170 1.00 0.00 C ATOM 366 C SER A 25 2.932 8.646 1.928 1.00 0.00 C ATOM 367 O SER A 25 3.449 8.352 0.847 1.00 0.00 O ATOM 368 CB SER A 25 4.156 8.492 4.112 1.00 0.00 C ATOM 369 OG SER A 25 5.323 8.914 3.423 1.00 0.00 O ATOM 0 H SER A 25 4.353 6.467 2.046 1.00 0.00 H new ATOM 0 HA SER A 25 2.217 7.655 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.670 9.354 4.569 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.434 7.817 4.921 1.00 0.00 H new ATOM 0 HG SER A 25 5.929 9.361 4.050 1.00 0.00 H new ATOM 375 N GLY A 26 2.144 9.712 2.097 1.00 0.00 N ATOM 376 CA GLY A 26 1.845 10.609 0.991 1.00 0.00 C ATOM 377 C GLY A 26 0.572 10.240 0.254 1.00 0.00 C ATOM 378 O GLY A 26 0.151 9.083 0.271 1.00 0.00 O ATOM 0 H GLY A 26 1.708 9.968 2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.756 11.627 1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.679 10.602 0.289 1.00 0.00 H new ATOM 382 N ASP A 27 -0.038 11.229 -0.398 1.00 0.00 N ATOM 383 CA ASP A 27 -1.271 11.011 -1.153 1.00 0.00 C ATOM 384 C ASP A 27 -0.978 10.929 -2.651 1.00 0.00 C ATOM 385 O ASP A 27 0.185 10.851 -3.037 1.00 0.00 O ATOM 386 CB ASP A 27 -2.276 12.132 -0.858 1.00 0.00 C ATOM 387 CG ASP A 27 -3.708 11.637 -0.838 1.00 0.00 C ATOM 388 OD1 ASP A 27 -4.043 10.828 0.051 1.00 0.00 O ATOM 389 OD2 ASP A 27 -4.490 12.056 -1.714 1.00 0.00 O ATOM 0 H ASP A 27 0.302 12.190 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.707 10.062 -0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.038 12.585 0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.175 12.913 -1.611 1.00 0.00 H new ATOM 394 N ASN A 28 -2.043 10.929 -3.480 1.00 0.00 N ATOM 395 CA ASN A 28 -1.921 10.834 -4.948 1.00 0.00 C ATOM 396 C ASN A 28 -0.675 10.024 -5.345 1.00 0.00 C ATOM 397 O ASN A 28 -0.751 8.797 -5.419 1.00 0.00 O ATOM 398 CB ASN A 28 -1.936 12.228 -5.592 1.00 0.00 C ATOM 399 CG ASN A 28 -3.343 12.757 -5.806 1.00 0.00 C ATOM 400 OD1 ASN A 28 -4.133 12.047 -6.605 1.00 0.00 O flip ATOM 401 ND2 ASN A 28 -3.716 13.795 -5.261 1.00 0.00 N flip ATOM 0 H ASN A 28 -3.006 10.995 -3.152 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.788 10.296 -5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.383 12.922 -4.959 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.417 12.187 -6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.078 14.310 -4.655 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.663 14.140 -5.415 1.00 0.00 H new ATOM 408 N PRO A 29 0.509 10.662 -5.552 1.00 0.00 N ATOM 409 CA PRO A 29 1.735 9.925 -5.870 1.00 0.00 C ATOM 410 C PRO A 29 2.333 9.316 -4.597 1.00 0.00 C ATOM 411 O PRO A 29 3.470 9.612 -4.224 1.00 0.00 O ATOM 412 CB PRO A 29 2.646 11.008 -6.441 1.00 0.00 C ATOM 413 CG PRO A 29 2.254 12.239 -5.701 1.00 0.00 C ATOM 414 CD PRO A 29 0.774 12.118 -5.438 1.00 0.00 C ATOM 0 HA PRO A 29 1.581 9.093 -6.557 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.698 10.767 -6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.501 11.125 -7.515 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.810 12.325 -4.767 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.474 13.132 -6.286 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.512 12.496 -4.450 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.192 12.688 -6.162 1.00 0.00 H new ATOM 422 N VAL A 30 1.532 8.487 -3.920 1.00 0.00 N ATOM 423 CA VAL A 30 1.937 7.846 -2.670 1.00 0.00 C ATOM 424 C VAL A 30 3.315 7.196 -2.803 1.00 0.00 C ATOM 425 O VAL A 30 3.639 6.618 -3.842 1.00 0.00 O ATOM 426 CB VAL A 30 0.907 6.784 -2.228 1.00 0.00 C ATOM 427 CG1 VAL A 30 1.224 6.269 -0.833 1.00 0.00 C ATOM 428 CG2 VAL A 30 -0.505 7.350 -2.284 1.00 0.00 C ATOM 0 H VAL A 30 0.589 8.244 -4.223 1.00 0.00 H new ATOM 0 HA VAL A 30 1.987 8.627 -1.911 1.00 0.00 H new ATOM 0 HB VAL A 30 0.968 5.944 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.484 5.522 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.216 5.818 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.199 7.097 -0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.216 6.586 -1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.579 8.211 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.733 7.659 -3.304 1.00 0.00 H new ATOM 438 N PHE A 31 4.129 7.299 -1.755 1.00 0.00 N ATOM 439 CA PHE A 31 5.471 6.727 -1.779 1.00 0.00 C ATOM 440 C PHE A 31 5.697 5.749 -0.625 1.00 0.00 C ATOM 441 O PHE A 31 5.494 6.087 0.542 1.00 0.00 O ATOM 442 CB PHE A 31 6.518 7.840 -1.730 1.00 0.00 C ATOM 443 CG PHE A 31 7.820 7.464 -2.378 1.00 0.00 C ATOM 444 CD1 PHE A 31 7.976 7.552 -3.752 1.00 0.00 C ATOM 445 CD2 PHE A 31 8.883 7.016 -1.613 1.00 0.00 C ATOM 446 CE1 PHE A 31 9.171 7.202 -4.351 1.00 0.00 C ATOM 447 CE2 PHE A 31 10.081 6.665 -2.206 1.00 0.00 C ATOM 448 CZ PHE A 31 10.225 6.758 -3.577 1.00 0.00 C ATOM 0 H PHE A 31 3.884 7.770 -0.884 1.00 0.00 H new ATOM 0 HA PHE A 31 5.572 6.170 -2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.118 8.726 -2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.703 8.109 -0.690 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.154 7.898 -4.362 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.775 6.940 -0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.281 7.276 -5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.904 6.318 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 31 11.160 6.484 -4.043 1.00 0.00 H new ATOM 458 N VAL A 32 6.140 4.539 -0.970 1.00 0.00 N ATOM 459 CA VAL A 32 6.425 3.500 0.016 1.00 0.00 C ATOM 460 C VAL A 32 7.783 3.752 0.671 1.00 0.00 C ATOM 461 O VAL A 32 8.818 3.718 0.002 1.00 0.00 O ATOM 462 CB VAL A 32 6.431 2.096 -0.628 1.00 0.00 C ATOM 463 CG1 VAL A 32 6.512 1.011 0.438 1.00 0.00 C ATOM 464 CG2 VAL A 32 5.205 1.896 -1.509 1.00 0.00 C ATOM 0 H VAL A 32 6.310 4.255 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 32 5.636 3.537 0.767 1.00 0.00 H new ATOM 0 HB VAL A 32 7.317 2.019 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.515 0.031 -0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.428 1.136 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.651 1.088 1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.233 0.900 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.303 2.001 -0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.200 2.644 -2.302 1.00 0.00 H new ATOM 474 N GLN A 33 7.770 4.011 1.977 1.00 0.00 N ATOM 475 CA GLN A 33 8.996 4.278 2.726 1.00 0.00 C ATOM 476 C GLN A 33 9.907 3.049 2.753 1.00 0.00 C ATOM 477 O GLN A 33 10.992 3.061 2.168 1.00 0.00 O ATOM 478 CB GLN A 33 8.655 4.714 4.157 1.00 0.00 C ATOM 479 CG GLN A 33 9.873 4.994 5.026 1.00 0.00 C ATOM 480 CD GLN A 33 9.537 5.027 6.505 1.00 0.00 C ATOM 481 OE1 GLN A 33 9.209 4.000 7.100 1.00 0.00 O ATOM 482 NE2 GLN A 33 9.617 6.209 7.110 1.00 0.00 N ATOM 0 H GLN A 33 6.920 4.042 2.540 1.00 0.00 H new ATOM 0 HA GLN A 33 9.531 5.084 2.223 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.037 5.611 4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.055 3.936 4.630 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.628 4.229 4.845 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.311 5.949 4.735 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.893 7.036 6.580 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.403 6.289 8.104 1.00 0.00 H new ATOM 491 N SER A 34 9.463 1.995 3.439 1.00 0.00 N ATOM 492 CA SER A 34 10.243 0.762 3.543 1.00 0.00 C ATOM 493 C SER A 34 9.330 -0.461 3.632 1.00 0.00 C ATOM 494 O SER A 34 8.141 -0.339 3.938 1.00 0.00 O ATOM 495 CB SER A 34 11.160 0.819 4.769 1.00 0.00 C ATOM 496 OG SER A 34 12.296 -0.012 4.596 1.00 0.00 O ATOM 0 H SER A 34 8.569 1.971 3.930 1.00 0.00 H new ATOM 0 HA SER A 34 10.851 0.670 2.643 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.480 1.847 4.940 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.608 0.506 5.655 1.00 0.00 H new ATOM 0 HG SER A 34 12.866 0.043 5.391 1.00 0.00 H new ATOM 502 N VAL A 35 9.895 -1.639 3.365 1.00 0.00 N ATOM 503 CA VAL A 35 9.138 -2.888 3.416 1.00 0.00 C ATOM 504 C VAL A 35 9.942 -3.994 4.097 1.00 0.00 C ATOM 505 O VAL A 35 11.174 -3.983 4.073 1.00 0.00 O ATOM 506 CB VAL A 35 8.719 -3.361 2.005 1.00 0.00 C ATOM 507 CG1 VAL A 35 7.566 -2.520 1.481 1.00 0.00 C ATOM 508 CG2 VAL A 35 9.900 -3.317 1.041 1.00 0.00 C ATOM 0 H VAL A 35 10.876 -1.753 3.111 1.00 0.00 H new ATOM 0 HA VAL A 35 8.240 -2.684 3.999 1.00 0.00 H new ATOM 0 HB VAL A 35 8.385 -4.396 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.285 -2.867 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.713 -2.613 2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.873 -1.475 1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.578 -3.655 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.274 -2.296 0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.693 -3.969 1.407 1.00 0.00 H new ATOM 518 N LYS A 36 9.236 -4.949 4.705 1.00 0.00 N ATOM 519 CA LYS A 36 9.881 -6.065 5.396 1.00 0.00 C ATOM 520 C LYS A 36 10.779 -6.851 4.442 1.00 0.00 C ATOM 521 O LYS A 36 10.296 -7.488 3.504 1.00 0.00 O ATOM 522 CB LYS A 36 8.829 -6.996 6.012 1.00 0.00 C ATOM 523 CG LYS A 36 8.673 -6.828 7.516 1.00 0.00 C ATOM 524 CD LYS A 36 8.248 -8.128 8.188 1.00 0.00 C ATOM 525 CE LYS A 36 9.452 -8.932 8.661 1.00 0.00 C ATOM 526 NZ LYS A 36 9.056 -10.240 9.260 1.00 0.00 N ATOM 0 H LYS A 36 8.217 -4.971 4.732 1.00 0.00 H new ATOM 0 HA LYS A 36 10.500 -5.654 6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.868 -6.812 5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.100 -8.030 5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.616 -6.489 7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.933 -6.054 7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.602 -7.905 9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.662 -8.725 7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.123 -9.108 7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.009 -8.351 9.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.907 -10.753 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.437 -10.074 10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.548 -10.807 8.551 1.00 0.00 H new ATOM 540 N GLU A 37 12.088 -6.795 4.689 1.00 0.00 N ATOM 541 CA GLU A 37 13.066 -7.496 3.853 1.00 0.00 C ATOM 542 C GLU A 37 12.791 -9.002 3.801 1.00 0.00 C ATOM 543 O GLU A 37 13.190 -9.675 2.851 1.00 0.00 O ATOM 544 CB GLU A 37 14.486 -7.244 4.363 1.00 0.00 C ATOM 545 CG GLU A 37 14.890 -5.778 4.338 1.00 0.00 C ATOM 546 CD GLU A 37 15.043 -5.237 2.928 1.00 0.00 C ATOM 547 OE1 GLU A 37 16.096 -5.490 2.307 1.00 0.00 O ATOM 548 OE2 GLU A 37 14.108 -4.563 2.444 1.00 0.00 O ATOM 0 H GLU A 37 12.497 -6.271 5.462 1.00 0.00 H new ATOM 0 HA GLU A 37 12.972 -7.101 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.568 -7.618 5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.188 -7.816 3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.142 -5.190 4.869 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.831 -5.655 4.874 1.00 0.00 H new ATOM 555 N ASP A 38 12.107 -9.524 4.822 1.00 0.00 N ATOM 556 CA ASP A 38 11.778 -10.946 4.879 1.00 0.00 C ATOM 557 C ASP A 38 10.297 -11.142 5.199 1.00 0.00 C ATOM 558 O ASP A 38 9.941 -11.814 6.171 1.00 0.00 O ATOM 559 CB ASP A 38 12.648 -11.652 5.929 1.00 0.00 C ATOM 560 CG ASP A 38 13.892 -12.288 5.333 1.00 0.00 C ATOM 561 OD1 ASP A 38 14.538 -11.648 4.477 1.00 0.00 O ATOM 562 OD2 ASP A 38 14.221 -13.426 5.726 1.00 0.00 O ATOM 0 H ASP A 38 11.772 -8.982 5.618 1.00 0.00 H new ATOM 0 HA ASP A 38 11.981 -11.386 3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.944 -10.932 6.692 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.056 -12.420 6.427 1.00 0.00 H new ATOM 567 N GLY A 39 9.433 -10.549 4.375 1.00 0.00 N ATOM 568 CA GLY A 39 8.002 -10.668 4.588 1.00 0.00 C ATOM 569 C GLY A 39 7.208 -10.684 3.295 1.00 0.00 C ATOM 570 O GLY A 39 7.777 -10.803 2.202 1.00 0.00 O ATOM 0 H GLY A 39 9.700 -9.989 3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.798 -11.583 5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.662 -9.837 5.206 1.00 0.00 H new ATOM 574 N ALA A 40 5.887 -10.559 3.424 1.00 0.00 N ATOM 575 CA ALA A 40 4.987 -10.554 2.272 1.00 0.00 C ATOM 576 C ALA A 40 5.412 -9.518 1.232 1.00 0.00 C ATOM 577 O ALA A 40 5.382 -9.790 0.031 1.00 0.00 O ATOM 578 CB ALA A 40 3.561 -10.287 2.727 1.00 0.00 C ATOM 0 H ALA A 40 5.414 -10.459 4.322 1.00 0.00 H new ATOM 0 HA ALA A 40 5.038 -11.536 1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.897 -10.285 1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.249 -11.066 3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.513 -9.318 3.223 1.00 0.00 H new ATOM 584 N ALA A 41 5.808 -8.335 1.697 1.00 0.00 N ATOM 585 CA ALA A 41 6.241 -7.267 0.802 1.00 0.00 C ATOM 586 C ALA A 41 7.427 -7.715 -0.051 1.00 0.00 C ATOM 587 O ALA A 41 7.379 -7.638 -1.279 1.00 0.00 O ATOM 588 CB ALA A 41 6.597 -6.020 1.599 1.00 0.00 C ATOM 0 H ALA A 41 5.838 -8.093 2.687 1.00 0.00 H new ATOM 0 HA ALA A 41 5.415 -7.029 0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.918 -5.232 0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.723 -5.683 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.405 -6.250 2.294 1.00 0.00 H new ATOM 594 N MET A 42 8.488 -8.188 0.604 1.00 0.00 N ATOM 595 CA MET A 42 9.680 -8.649 -0.106 1.00 0.00 C ATOM 596 C MET A 42 9.374 -9.867 -0.976 1.00 0.00 C ATOM 597 O MET A 42 9.753 -9.904 -2.147 1.00 0.00 O ATOM 598 CB MET A 42 10.803 -8.986 0.876 1.00 0.00 C ATOM 599 CG MET A 42 12.081 -9.456 0.197 1.00 0.00 C ATOM 600 SD MET A 42 13.320 -8.152 0.064 1.00 0.00 S ATOM 601 CE MET A 42 14.751 -9.092 -0.465 1.00 0.00 C ATOM 0 H MET A 42 8.546 -8.262 1.620 1.00 0.00 H new ATOM 0 HA MET A 42 10.006 -7.835 -0.753 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.024 -8.105 1.479 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.457 -9.762 1.559 1.00 0.00 H new ATOM 0 HG2 MET A 42 12.499 -10.292 0.758 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.842 -9.828 -0.800 1.00 0.00 H new ATOM 0 HE1 MET A 42 15.601 -8.421 -0.591 1.00 0.00 H new ATOM 0 HE2 MET A 42 14.990 -9.844 0.287 1.00 0.00 H new ATOM 0 HE3 MET A 42 14.533 -9.583 -1.413 1.00 0.00 H new ATOM 611 N ARG A 43 8.693 -10.866 -0.405 1.00 0.00 N ATOM 612 CA ARG A 43 8.356 -12.077 -1.157 1.00 0.00 C ATOM 613 C ARG A 43 7.426 -11.762 -2.334 1.00 0.00 C ATOM 614 O ARG A 43 7.437 -12.469 -3.341 1.00 0.00 O ATOM 615 CB ARG A 43 7.730 -13.143 -0.244 1.00 0.00 C ATOM 616 CG ARG A 43 6.309 -12.834 0.198 1.00 0.00 C ATOM 617 CD ARG A 43 5.285 -13.631 -0.603 1.00 0.00 C ATOM 618 NE ARG A 43 4.072 -13.910 0.172 1.00 0.00 N ATOM 619 CZ ARG A 43 3.995 -14.831 1.137 1.00 0.00 C ATOM 620 NH1 ARG A 43 5.058 -15.566 1.457 1.00 0.00 N ATOM 621 NH2 ARG A 43 2.849 -15.018 1.785 1.00 0.00 N ATOM 0 H ARG A 43 8.369 -10.861 0.562 1.00 0.00 H new ATOM 0 HA ARG A 43 9.286 -12.479 -1.560 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.735 -14.100 -0.766 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.356 -13.259 0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.200 -13.062 1.258 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.114 -11.768 0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.020 -13.077 -1.503 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.731 -14.571 -0.927 1.00 0.00 H new ATOM 0 HE ARG A 43 3.235 -13.367 -0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.940 -15.428 0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.990 -16.267 2.195 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.030 -14.459 1.545 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.789 -15.721 2.522 1.00 0.00 H new ATOM 635 N ALA A 44 6.630 -10.695 -2.208 1.00 0.00 N ATOM 636 CA ALA A 44 5.709 -10.295 -3.274 1.00 0.00 C ATOM 637 C ALA A 44 6.440 -9.569 -4.411 1.00 0.00 C ATOM 638 O ALA A 44 5.888 -9.403 -5.500 1.00 0.00 O ATOM 639 CB ALA A 44 4.605 -9.407 -2.715 1.00 0.00 C ATOM 0 H ALA A 44 6.606 -10.096 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 44 5.268 -11.203 -3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.928 -9.118 -3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.050 -9.953 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.046 -8.514 -2.273 1.00 0.00 H new ATOM 645 N GLY A 45 7.679 -9.139 -4.152 1.00 0.00 N ATOM 646 CA GLY A 45 8.455 -8.436 -5.164 1.00 0.00 C ATOM 647 C GLY A 45 8.504 -6.933 -4.933 1.00 0.00 C ATOM 648 O GLY A 45 8.710 -6.165 -5.873 1.00 0.00 O ATOM 0 H GLY A 45 8.157 -9.266 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.471 -8.830 -5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.026 -8.634 -6.146 1.00 0.00 H new ATOM 652 N VAL A 46 8.312 -6.512 -3.682 1.00 0.00 N ATOM 653 CA VAL A 46 8.331 -5.091 -3.338 1.00 0.00 C ATOM 654 C VAL A 46 9.710 -4.652 -2.851 1.00 0.00 C ATOM 655 O VAL A 46 10.460 -5.444 -2.280 1.00 0.00 O ATOM 656 CB VAL A 46 7.279 -4.754 -2.258 1.00 0.00 C ATOM 657 CG1 VAL A 46 7.168 -3.248 -2.069 1.00 0.00 C ATOM 658 CG2 VAL A 46 5.925 -5.348 -2.620 1.00 0.00 C ATOM 0 H VAL A 46 8.142 -7.134 -2.892 1.00 0.00 H new ATOM 0 HA VAL A 46 8.087 -4.547 -4.251 1.00 0.00 H new ATOM 0 HB VAL A 46 7.605 -5.196 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.422 -3.031 -1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.133 -2.848 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.869 -2.784 -3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.199 -5.098 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.592 -4.940 -3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.013 -6.432 -2.699 1.00 0.00 H new ATOM 668 N GLN A 47 10.035 -3.382 -3.093 1.00 0.00 N ATOM 669 CA GLN A 47 11.324 -2.820 -2.694 1.00 0.00 C ATOM 670 C GLN A 47 11.140 -1.564 -1.847 1.00 0.00 C ATOM 671 O GLN A 47 10.047 -0.995 -1.789 1.00 0.00 O ATOM 672 CB GLN A 47 12.157 -2.486 -3.936 1.00 0.00 C ATOM 673 CG GLN A 47 13.660 -2.561 -3.710 1.00 0.00 C ATOM 674 CD GLN A 47 14.296 -1.196 -3.516 1.00 0.00 C ATOM 675 OE1 GLN A 47 14.986 -0.957 -2.524 1.00 0.00 O ATOM 676 NE2 GLN A 47 14.066 -0.289 -4.461 1.00 0.00 N ATOM 0 H GLN A 47 9.419 -2.721 -3.566 1.00 0.00 H new ATOM 0 HA GLN A 47 11.845 -3.566 -2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.886 -3.172 -4.738 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.900 -1.482 -4.274 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.860 -3.178 -2.834 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.126 -3.056 -4.562 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.489 -0.528 -5.267 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.467 0.645 -4.380 1.00 0.00 H new ATOM 685 N THR A 48 12.223 -1.129 -1.200 1.00 0.00 N ATOM 686 CA THR A 48 12.191 0.067 -0.365 1.00 0.00 C ATOM 687 C THR A 48 12.333 1.324 -1.222 1.00 0.00 C ATOM 688 O THR A 48 13.260 1.435 -2.028 1.00 0.00 O ATOM 689 CB THR A 48 13.305 0.018 0.685 1.00 0.00 C ATOM 690 OG1 THR A 48 13.159 -1.118 1.521 1.00 0.00 O ATOM 691 CG2 THR A 48 13.340 1.241 1.578 1.00 0.00 C ATOM 0 H THR A 48 13.132 -1.589 -1.240 1.00 0.00 H new ATOM 0 HA THR A 48 11.229 0.100 0.146 1.00 0.00 H new ATOM 0 HB THR A 48 14.234 -0.026 0.117 1.00 0.00 H new ATOM 0 HG1 THR A 48 13.881 -1.132 2.184 1.00 0.00 H new ATOM 0 HG21 THR A 48 14.152 1.142 2.299 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.501 2.131 0.970 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.392 1.331 2.109 1.00 0.00 H new ATOM 699 N GLY A 49 11.408 2.267 -1.045 1.00 0.00 N ATOM 700 CA GLY A 49 11.443 3.502 -1.809 1.00 0.00 C ATOM 701 C GLY A 49 10.665 3.407 -3.108 1.00 0.00 C ATOM 702 O GLY A 49 11.156 3.811 -4.164 1.00 0.00 O ATOM 0 H GLY A 49 10.634 2.196 -0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.034 4.311 -1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.479 3.760 -2.028 1.00 0.00 H new ATOM 706 N ASP A 50 9.447 2.873 -3.029 1.00 0.00 N ATOM 707 CA ASP A 50 8.590 2.725 -4.203 1.00 0.00 C ATOM 708 C ASP A 50 7.575 3.864 -4.275 1.00 0.00 C ATOM 709 O ASP A 50 7.378 4.586 -3.300 1.00 0.00 O ATOM 710 CB ASP A 50 7.873 1.372 -4.165 1.00 0.00 C ATOM 711 CG ASP A 50 8.499 0.359 -5.104 1.00 0.00 C ATOM 712 OD1 ASP A 50 9.448 -0.334 -4.682 1.00 0.00 O ATOM 713 OD2 ASP A 50 8.039 0.260 -6.261 1.00 0.00 O ATOM 0 H ASP A 50 9.031 2.535 -2.161 1.00 0.00 H new ATOM 0 HA ASP A 50 9.214 2.766 -5.096 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.894 0.981 -3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.825 1.512 -4.432 1.00 0.00 H new ATOM 718 N ARG A 51 6.936 4.030 -5.433 1.00 0.00 N ATOM 719 CA ARG A 51 5.946 5.094 -5.614 1.00 0.00 C ATOM 720 C ARG A 51 4.573 4.516 -5.963 1.00 0.00 C ATOM 721 O ARG A 51 4.233 4.367 -7.137 1.00 0.00 O ATOM 722 CB ARG A 51 6.411 6.059 -6.709 1.00 0.00 C ATOM 723 CG ARG A 51 5.835 7.462 -6.584 1.00 0.00 C ATOM 724 CD ARG A 51 6.871 8.522 -6.934 1.00 0.00 C ATOM 725 NE ARG A 51 6.362 9.881 -6.737 1.00 0.00 N ATOM 726 CZ ARG A 51 7.138 10.965 -6.630 1.00 0.00 C ATOM 727 NH1 ARG A 51 8.463 10.862 -6.704 1.00 0.00 N ATOM 728 NH2 ARG A 51 6.585 12.161 -6.451 1.00 0.00 N ATOM 0 H ARG A 51 7.084 3.446 -6.256 1.00 0.00 H new ATOM 0 HA ARG A 51 5.852 5.638 -4.674 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.499 6.121 -6.686 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.135 5.650 -7.681 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.973 7.563 -7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.479 7.621 -5.566 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.759 8.376 -6.319 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.178 8.398 -7.972 1.00 0.00 H new ATOM 0 HE ARG A 51 5.352 10.009 -6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.897 9.949 -6.844 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.045 11.696 -6.621 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.570 12.251 -6.395 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.175 12.989 -6.369 1.00 0.00 H new ATOM 742 N ILE A 52 3.784 4.193 -4.938 1.00 0.00 N ATOM 743 CA ILE A 52 2.450 3.631 -5.144 1.00 0.00 C ATOM 744 C ILE A 52 1.456 4.703 -5.595 1.00 0.00 C ATOM 745 O ILE A 52 1.358 5.776 -4.999 1.00 0.00 O ATOM 746 CB ILE A 52 1.926 2.907 -3.876 1.00 0.00 C ATOM 747 CG1 ILE A 52 0.516 2.334 -4.108 1.00 0.00 C ATOM 748 CG2 ILE A 52 1.954 3.828 -2.664 1.00 0.00 C ATOM 749 CD1 ILE A 52 -0.608 3.343 -3.958 1.00 0.00 C ATOM 0 H ILE A 52 4.045 4.311 -3.959 1.00 0.00 H new ATOM 0 HA ILE A 52 2.540 2.890 -5.939 1.00 0.00 H new ATOM 0 HB ILE A 52 2.595 2.071 -3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.472 1.907 -5.110 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.350 1.517 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.581 3.292 -1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.977 4.155 -2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.324 4.697 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.564 2.852 -4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.596 3.754 -2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.472 4.149 -4.679 1.00 0.00 H new ATOM 761 N ILE A 53 0.726 4.399 -6.666 1.00 0.00 N ATOM 762 CA ILE A 53 -0.259 5.322 -7.219 1.00 0.00 C ATOM 763 C ILE A 53 -1.681 4.768 -7.098 1.00 0.00 C ATOM 764 O ILE A 53 -2.624 5.521 -6.846 1.00 0.00 O ATOM 765 CB ILE A 53 0.029 5.621 -8.707 1.00 0.00 C ATOM 766 CG1 ILE A 53 1.484 6.057 -8.899 1.00 0.00 C ATOM 767 CG2 ILE A 53 -0.919 6.691 -9.235 1.00 0.00 C ATOM 768 CD1 ILE A 53 2.092 5.558 -10.191 1.00 0.00 C ATOM 0 H ILE A 53 0.800 3.515 -7.170 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.182 6.242 -6.639 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.135 4.705 -9.274 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.536 7.146 -8.878 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.079 5.693 -8.061 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.699 6.886 -10.285 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.948 6.345 -9.138 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.789 7.608 -8.660 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.124 5.902 -10.265 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.071 4.468 -10.206 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.520 5.943 -11.035 1.00 0.00 H new ATOM 780 N LYS A 54 -1.836 3.454 -7.293 1.00 0.00 N ATOM 781 CA LYS A 54 -3.156 2.826 -7.217 1.00 0.00 C ATOM 782 C LYS A 54 -3.157 1.613 -6.285 1.00 0.00 C ATOM 783 O LYS A 54 -2.107 1.039 -5.990 1.00 0.00 O ATOM 784 CB LYS A 54 -3.614 2.406 -8.618 1.00 0.00 C ATOM 785 CG LYS A 54 -5.110 2.556 -8.848 1.00 0.00 C ATOM 786 CD LYS A 54 -5.416 3.664 -9.845 1.00 0.00 C ATOM 787 CE LYS A 54 -4.998 3.284 -11.259 1.00 0.00 C ATOM 788 NZ LYS A 54 -4.868 4.479 -12.141 1.00 0.00 N ATOM 0 H LYS A 54 -1.072 2.812 -7.502 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.849 3.560 -6.806 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.081 3.003 -9.358 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.333 1.366 -8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.519 1.614 -9.214 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.604 2.772 -7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.484 3.883 -9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.899 4.575 -9.546 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.047 2.752 -11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.732 2.598 -11.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.582 4.177 -13.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.782 4.973 -12.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.149 5.122 -11.751 1.00 0.00 H new ATOM 802 N VAL A 55 -4.352 1.224 -5.837 1.00 0.00 N ATOM 803 CA VAL A 55 -4.520 0.076 -4.948 1.00 0.00 C ATOM 804 C VAL A 55 -5.738 -0.745 -5.372 1.00 0.00 C ATOM 805 O VAL A 55 -6.877 -0.349 -5.124 1.00 0.00 O ATOM 806 CB VAL A 55 -4.688 0.509 -3.476 1.00 0.00 C ATOM 807 CG1 VAL A 55 -4.671 -0.703 -2.552 1.00 0.00 C ATOM 808 CG2 VAL A 55 -3.603 1.504 -3.085 1.00 0.00 C ATOM 0 H VAL A 55 -5.225 1.693 -6.079 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.616 -0.529 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.655 1.000 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.791 -0.375 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.488 -1.374 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.722 -1.228 -2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.737 1.798 -2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.624 1.041 -3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.671 2.385 -3.723 1.00 0.00 H new ATOM 818 N ASN A 56 -5.487 -1.885 -6.016 1.00 0.00 N ATOM 819 CA ASN A 56 -6.555 -2.768 -6.485 1.00 0.00 C ATOM 820 C ASN A 56 -7.434 -2.070 -7.530 1.00 0.00 C ATOM 821 O ASN A 56 -8.633 -2.342 -7.627 1.00 0.00 O ATOM 822 CB ASN A 56 -7.410 -3.250 -5.304 1.00 0.00 C ATOM 823 CG ASN A 56 -7.064 -4.660 -4.863 1.00 0.00 C ATOM 824 OD1 ASN A 56 -6.005 -5.193 -5.205 1.00 0.00 O ATOM 825 ND2 ASN A 56 -7.957 -5.277 -4.095 1.00 0.00 N ATOM 0 H ASN A 56 -4.547 -2.220 -6.226 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.091 -3.633 -6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.277 -2.569 -4.464 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.463 -3.210 -5.584 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.778 -6.226 -3.766 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.821 -4.801 -3.834 1.00 0.00 H new ATOM 832 N GLY A 57 -6.832 -1.167 -8.309 1.00 0.00 N ATOM 833 CA GLY A 57 -7.576 -0.447 -9.331 1.00 0.00 C ATOM 834 C GLY A 57 -8.108 0.891 -8.845 1.00 0.00 C ATOM 835 O GLY A 57 -8.191 1.848 -9.620 1.00 0.00 O ATOM 0 H GLY A 57 -5.843 -0.923 -8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.931 -0.284 -10.195 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.410 -1.063 -9.668 1.00 0.00 H new ATOM 839 N THR A 58 -8.473 0.962 -7.564 1.00 0.00 N ATOM 840 CA THR A 58 -9.000 2.195 -6.986 1.00 0.00 C ATOM 841 C THR A 58 -7.869 3.184 -6.700 1.00 0.00 C ATOM 842 O THR A 58 -7.057 2.976 -5.797 1.00 0.00 O ATOM 843 CB THR A 58 -9.793 1.901 -5.706 1.00 0.00 C ATOM 844 OG1 THR A 58 -9.208 0.840 -4.973 1.00 0.00 O ATOM 845 CG2 THR A 58 -11.234 1.527 -5.975 1.00 0.00 C ATOM 0 H THR A 58 -8.413 0.181 -6.910 1.00 0.00 H new ATOM 0 HA THR A 58 -9.677 2.647 -7.711 1.00 0.00 H new ATOM 0 HB THR A 58 -9.767 2.829 -5.136 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.241 0.827 -5.132 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.741 1.331 -5.030 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.732 2.347 -6.491 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.268 0.633 -6.597 1.00 0.00 H new ATOM 853 N LEU A 59 -7.822 4.257 -7.491 1.00 0.00 N ATOM 854 CA LEU A 59 -6.790 5.287 -7.346 1.00 0.00 C ATOM 855 C LEU A 59 -6.897 5.993 -5.996 1.00 0.00 C ATOM 856 O LEU A 59 -7.949 5.977 -5.355 1.00 0.00 O ATOM 857 CB LEU A 59 -6.881 6.312 -8.488 1.00 0.00 C ATOM 858 CG LEU A 59 -8.301 6.705 -8.910 1.00 0.00 C ATOM 859 CD1 LEU A 59 -8.414 8.214 -9.068 1.00 0.00 C ATOM 860 CD2 LEU A 59 -8.696 6.003 -10.203 1.00 0.00 C ATOM 0 H LEU A 59 -8.489 4.436 -8.242 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.820 4.791 -7.395 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.347 7.214 -8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.361 5.909 -9.357 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.988 6.387 -8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.429 8.473 -9.368 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.181 8.698 -8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.713 8.554 -9.830 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.708 6.297 -10.483 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.004 6.285 -10.996 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.660 4.923 -10.057 1.00 0.00 H new ATOM 872 N VAL A 60 -5.798 6.620 -5.574 1.00 0.00 N ATOM 873 CA VAL A 60 -5.765 7.336 -4.301 1.00 0.00 C ATOM 874 C VAL A 60 -6.104 8.817 -4.485 1.00 0.00 C ATOM 875 O VAL A 60 -5.534 9.685 -3.820 1.00 0.00 O ATOM 876 CB VAL A 60 -4.392 7.199 -3.601 1.00 0.00 C ATOM 877 CG1 VAL A 60 -4.174 5.768 -3.136 1.00 0.00 C ATOM 878 CG2 VAL A 60 -3.260 7.648 -4.516 1.00 0.00 C ATOM 0 H VAL A 60 -4.921 6.646 -6.095 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.523 6.878 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.391 7.851 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.204 5.689 -2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.960 5.490 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.202 5.098 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.308 7.540 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.254 7.033 -5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.407 8.692 -4.791 1.00 0.00 H new ATOM 888 N THR A 61 -7.044 9.096 -5.387 1.00 0.00 N ATOM 889 CA THR A 61 -7.472 10.467 -5.655 1.00 0.00 C ATOM 890 C THR A 61 -8.915 10.697 -5.185 1.00 0.00 C ATOM 891 O THR A 61 -9.572 11.646 -5.623 1.00 0.00 O ATOM 892 CB THR A 61 -7.353 10.779 -7.154 1.00 0.00 C ATOM 893 OG1 THR A 61 -6.123 10.304 -7.676 1.00 0.00 O ATOM 894 CG2 THR A 61 -7.447 12.257 -7.471 1.00 0.00 C ATOM 0 H THR A 61 -7.524 8.390 -5.945 1.00 0.00 H new ATOM 0 HA THR A 61 -6.819 11.138 -5.097 1.00 0.00 H new ATOM 0 HB THR A 61 -8.199 10.270 -7.617 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.390 10.864 -7.346 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.355 12.405 -8.547 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.409 12.641 -7.133 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.644 12.790 -6.962 1.00 0.00 H new ATOM 902 N HIS A 62 -9.409 9.829 -4.292 1.00 0.00 N ATOM 903 CA HIS A 62 -10.773 9.951 -3.776 1.00 0.00 C ATOM 904 C HIS A 62 -11.066 8.901 -2.692 1.00 0.00 C ATOM 905 O HIS A 62 -11.925 8.036 -2.874 1.00 0.00 O ATOM 906 CB HIS A 62 -11.790 9.819 -4.923 1.00 0.00 C ATOM 907 CG HIS A 62 -11.506 8.691 -5.872 1.00 0.00 C ATOM 908 ND1 HIS A 62 -11.862 8.723 -7.205 1.00 0.00 N ATOM 909 CD2 HIS A 62 -10.902 7.493 -5.676 1.00 0.00 C ATOM 910 CE1 HIS A 62 -11.491 7.594 -7.785 1.00 0.00 C ATOM 911 NE2 HIS A 62 -10.907 6.832 -6.879 1.00 0.00 N ATOM 0 H HIS A 62 -8.885 9.039 -3.915 1.00 0.00 H new ATOM 0 HA HIS A 62 -10.866 10.937 -3.321 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -12.784 9.679 -4.498 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -11.812 10.754 -5.484 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -12.337 9.497 -7.670 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -10.493 7.127 -4.746 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -11.640 7.339 -8.824 1.00 0.00 H new ATOM 920 N SER A 63 -10.352 8.978 -1.565 1.00 0.00 N ATOM 921 CA SER A 63 -10.553 8.027 -0.467 1.00 0.00 C ATOM 922 C SER A 63 -9.944 8.536 0.841 1.00 0.00 C ATOM 923 O SER A 63 -9.037 9.372 0.833 1.00 0.00 O ATOM 924 CB SER A 63 -9.954 6.663 -0.827 1.00 0.00 C ATOM 925 OG SER A 63 -8.665 6.804 -1.401 1.00 0.00 O ATOM 0 H SER A 63 -9.636 9.682 -1.389 1.00 0.00 H new ATOM 0 HA SER A 63 -11.628 7.921 -0.318 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.891 6.043 0.067 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.612 6.147 -1.526 1.00 0.00 H new ATOM 0 HG SER A 63 -8.306 5.919 -1.619 1.00 0.00 H new ATOM 931 N ASN A 64 -10.449 8.020 1.964 1.00 0.00 N ATOM 932 CA ASN A 64 -9.959 8.411 3.286 1.00 0.00 C ATOM 933 C ASN A 64 -8.839 7.481 3.751 1.00 0.00 C ATOM 934 O ASN A 64 -8.683 6.375 3.231 1.00 0.00 O ATOM 935 CB ASN A 64 -11.100 8.406 4.311 1.00 0.00 C ATOM 936 CG ASN A 64 -12.319 9.179 3.841 1.00 0.00 C ATOM 937 OD1 ASN A 64 -13.383 8.605 3.619 1.00 0.00 O ATOM 938 ND2 ASN A 64 -12.170 10.491 3.683 1.00 0.00 N ATOM 0 H ASN A 64 -11.199 7.329 1.983 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.561 9.423 3.207 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.388 7.376 4.522 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.743 8.835 5.247 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.956 11.059 3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.270 10.929 3.878 1.00 0.00 H new ATOM 945 N HIS A 65 -8.062 7.937 4.734 1.00 0.00 N ATOM 946 CA HIS A 65 -6.948 7.152 5.272 1.00 0.00 C ATOM 947 C HIS A 65 -7.425 5.784 5.766 1.00 0.00 C ATOM 948 O HIS A 65 -7.032 4.750 5.227 1.00 0.00 O ATOM 949 CB HIS A 65 -6.263 7.922 6.407 1.00 0.00 C ATOM 950 CG HIS A 65 -5.210 7.139 7.129 1.00 0.00 C ATOM 951 ND1 HIS A 65 -5.501 6.146 8.040 1.00 0.00 N ATOM 952 CD2 HIS A 65 -3.860 7.208 7.071 1.00 0.00 C ATOM 953 CE1 HIS A 65 -4.381 5.639 8.509 1.00 0.00 C ATOM 954 NE2 HIS A 65 -3.368 6.265 7.940 1.00 0.00 N ATOM 0 H HIS A 65 -8.183 8.848 5.176 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.228 6.986 4.471 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.812 8.826 5.998 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.020 8.240 7.124 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.278 7.879 6.456 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.304 4.845 9.237 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.381 6.079 8.117 1.00 0.00 H new ATOM 963 N LEU A 66 -8.273 5.790 6.797 1.00 0.00 N ATOM 964 CA LEU A 66 -8.805 4.550 7.369 1.00 0.00 C ATOM 965 C LEU A 66 -9.539 3.721 6.313 1.00 0.00 C ATOM 966 O LEU A 66 -9.548 2.492 6.381 1.00 0.00 O ATOM 967 CB LEU A 66 -9.744 4.853 8.542 1.00 0.00 C ATOM 968 CG LEU A 66 -9.090 5.564 9.731 1.00 0.00 C ATOM 969 CD1 LEU A 66 -9.887 6.800 10.125 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.951 4.615 10.914 1.00 0.00 C ATOM 0 H LEU A 66 -8.606 6.639 7.253 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.959 3.968 7.735 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.567 5.468 8.179 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.177 3.916 8.892 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.092 5.884 9.430 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.405 7.289 10.971 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.929 7.490 9.282 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.899 6.507 10.404 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.484 5.139 11.748 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.937 4.261 11.214 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.332 3.765 10.628 1.00 0.00 H new ATOM 982 N GLU A 67 -10.151 4.398 5.340 1.00 0.00 N ATOM 983 CA GLU A 67 -10.879 3.714 4.273 1.00 0.00 C ATOM 984 C GLU A 67 -9.949 2.805 3.469 1.00 0.00 C ATOM 985 O GLU A 67 -10.258 1.635 3.240 1.00 0.00 O ATOM 986 CB GLU A 67 -11.542 4.733 3.340 1.00 0.00 C ATOM 987 CG GLU A 67 -12.790 4.206 2.643 1.00 0.00 C ATOM 988 CD GLU A 67 -14.070 4.491 3.410 1.00 0.00 C ATOM 989 OE1 GLU A 67 -14.161 5.565 4.046 1.00 0.00 O ATOM 990 OE2 GLU A 67 -14.984 3.643 3.369 1.00 0.00 O ATOM 0 H GLU A 67 -10.157 5.416 5.270 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.650 3.098 4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.806 5.621 3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.820 5.045 2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.861 4.654 1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.692 3.130 2.501 1.00 0.00 H new ATOM 997 N VAL A 68 -8.812 3.355 3.039 1.00 0.00 N ATOM 998 CA VAL A 68 -7.839 2.595 2.252 1.00 0.00 C ATOM 999 C VAL A 68 -7.306 1.392 3.030 1.00 0.00 C ATOM 1000 O VAL A 68 -7.336 0.265 2.536 1.00 0.00 O ATOM 1001 CB VAL A 68 -6.648 3.476 1.809 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -5.743 2.718 0.845 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -7.138 4.774 1.177 1.00 0.00 C ATOM 0 H VAL A 68 -8.543 4.322 3.222 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.368 2.243 1.366 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.067 3.728 2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.912 3.357 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.356 1.825 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.313 2.429 -0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.282 5.377 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.749 4.546 0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.734 5.329 1.901 1.00 0.00 H new ATOM 1013 N VAL A 69 -6.815 1.639 4.245 1.00 0.00 N ATOM 1014 CA VAL A 69 -6.271 0.572 5.082 1.00 0.00 C ATOM 1015 C VAL A 69 -7.327 -0.496 5.393 1.00 0.00 C ATOM 1016 O VAL A 69 -7.037 -1.694 5.338 1.00 0.00 O ATOM 1017 CB VAL A 69 -5.671 1.128 6.397 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -6.736 1.804 7.247 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -4.972 0.025 7.180 1.00 0.00 C ATOM 0 H VAL A 69 -6.783 2.566 4.669 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.469 0.104 4.511 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.929 1.882 6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.284 2.184 8.163 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.176 2.631 6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.513 1.082 7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.558 0.438 8.100 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.689 -0.758 7.425 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.167 -0.396 6.577 1.00 0.00 H new ATOM 1029 N LYS A 70 -8.550 -0.060 5.708 1.00 0.00 N ATOM 1030 CA LYS A 70 -9.640 -0.989 6.015 1.00 0.00 C ATOM 1031 C LYS A 70 -9.944 -1.889 4.818 1.00 0.00 C ATOM 1032 O LYS A 70 -10.068 -3.105 4.965 1.00 0.00 O ATOM 1033 CB LYS A 70 -10.904 -0.227 6.431 1.00 0.00 C ATOM 1034 CG LYS A 70 -11.897 -1.067 7.221 1.00 0.00 C ATOM 1035 CD LYS A 70 -11.693 -0.913 8.721 1.00 0.00 C ATOM 1036 CE LYS A 70 -12.490 -1.947 9.505 1.00 0.00 C ATOM 1037 NZ LYS A 70 -13.406 -1.316 10.499 1.00 0.00 N ATOM 0 H LYS A 70 -8.809 0.925 5.757 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.318 -1.615 6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.615 0.636 7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.397 0.156 5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.913 -0.772 6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.788 -2.116 6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.634 -1.014 8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.994 0.089 9.029 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.071 -2.556 8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.803 -2.618 10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.928 -2.057 11.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.850 -0.755 11.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.079 -0.695 10.006 1.00 0.00 H new ATOM 1051 N LEU A 71 -10.058 -1.286 3.633 1.00 0.00 N ATOM 1052 CA LEU A 71 -10.341 -2.040 2.414 1.00 0.00 C ATOM 1053 C LEU A 71 -9.238 -3.059 2.136 1.00 0.00 C ATOM 1054 O LEU A 71 -9.520 -4.222 1.845 1.00 0.00 O ATOM 1055 CB LEU A 71 -10.498 -1.095 1.216 1.00 0.00 C ATOM 1056 CG LEU A 71 -11.946 -0.784 0.821 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.155 0.717 0.667 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -12.318 -1.513 -0.463 1.00 0.00 C ATOM 0 H LEU A 71 -9.959 -0.280 3.493 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.279 -2.576 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.990 -0.158 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.989 -1.534 0.357 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.600 -1.137 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.190 0.913 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.935 1.214 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.490 1.099 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.349 -1.280 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.656 -1.194 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.215 -2.588 -0.314 1.00 0.00 H new ATOM 1070 N ILE A 72 -7.984 -2.621 2.238 1.00 0.00 N ATOM 1071 CA ILE A 72 -6.845 -3.505 2.005 1.00 0.00 C ATOM 1072 C ILE A 72 -6.790 -4.604 3.065 1.00 0.00 C ATOM 1073 O ILE A 72 -6.469 -5.754 2.761 1.00 0.00 O ATOM 1074 CB ILE A 72 -5.506 -2.733 1.999 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -5.550 -1.588 0.982 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -4.347 -3.670 1.683 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -4.623 -0.441 1.320 1.00 0.00 C ATOM 0 H ILE A 72 -7.732 -1.663 2.480 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.987 -3.952 1.021 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.352 -2.312 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.289 -1.977 -0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.571 -1.212 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.414 -3.107 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.298 -4.455 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.499 -4.119 0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.708 0.332 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.897 -0.025 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.595 -0.803 1.358 1.00 0.00 H new ATOM 1089 N LYS A 73 -7.110 -4.247 4.310 1.00 0.00 N ATOM 1090 CA LYS A 73 -7.101 -5.212 5.409 1.00 0.00 C ATOM 1091 C LYS A 73 -8.165 -6.291 5.206 1.00 0.00 C ATOM 1092 O LYS A 73 -7.978 -7.439 5.614 1.00 0.00 O ATOM 1093 CB LYS A 73 -7.326 -4.507 6.748 1.00 0.00 C ATOM 1094 CG LYS A 73 -6.150 -4.626 7.703 1.00 0.00 C ATOM 1095 CD LYS A 73 -5.937 -3.343 8.491 1.00 0.00 C ATOM 1096 CE LYS A 73 -4.459 -3.008 8.618 1.00 0.00 C ATOM 1097 NZ LYS A 73 -3.840 -3.639 9.818 1.00 0.00 N ATOM 0 H LYS A 73 -7.377 -3.301 4.581 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.122 -5.690 5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.529 -3.452 6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.214 -4.924 7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.322 -5.453 8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.247 -4.863 7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.457 -2.521 7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.375 -3.447 9.484 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.934 -3.342 7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.337 -1.926 8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.928 -3.181 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.473 -3.526 10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.686 -4.652 9.637 1.00 0.00 H new ATOM 1111 N SER A 74 -9.282 -5.920 4.578 1.00 0.00 N ATOM 1112 CA SER A 74 -10.369 -6.863 4.329 1.00 0.00 C ATOM 1113 C SER A 74 -10.065 -7.752 3.119 1.00 0.00 C ATOM 1114 O SER A 74 -10.734 -7.668 2.085 1.00 0.00 O ATOM 1115 CB SER A 74 -11.687 -6.111 4.120 1.00 0.00 C ATOM 1116 OG SER A 74 -12.778 -6.843 4.650 1.00 0.00 O ATOM 0 H SER A 74 -9.456 -4.976 4.234 1.00 0.00 H new ATOM 0 HA SER A 74 -10.464 -7.507 5.203 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.632 -5.134 4.600 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.845 -5.935 3.056 1.00 0.00 H new ATOM 0 HG SER A 74 -13.608 -6.343 4.506 1.00 0.00 H new ATOM 1122 N GLY A 75 -9.050 -8.602 3.258 1.00 0.00 N ATOM 1123 CA GLY A 75 -8.668 -9.497 2.178 1.00 0.00 C ATOM 1124 C GLY A 75 -7.313 -10.139 2.410 1.00 0.00 C ATOM 1125 O GLY A 75 -6.452 -9.557 3.073 1.00 0.00 O ATOM 0 H GLY A 75 -8.484 -8.687 4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.423 -10.276 2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.648 -8.942 1.240 1.00 0.00 H new ATOM 1129 N SER A 76 -7.120 -11.341 1.867 1.00 0.00 N ATOM 1130 CA SER A 76 -5.856 -12.061 2.023 1.00 0.00 C ATOM 1131 C SER A 76 -4.709 -11.301 1.359 1.00 0.00 C ATOM 1132 O SER A 76 -3.746 -10.916 2.022 1.00 0.00 O ATOM 1133 CB SER A 76 -5.962 -13.471 1.437 1.00 0.00 C ATOM 1134 OG SER A 76 -7.263 -14.007 1.617 1.00 0.00 O ATOM 0 H SER A 76 -7.821 -11.836 1.316 1.00 0.00 H new ATOM 0 HA SER A 76 -5.645 -12.140 3.090 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.721 -13.445 0.374 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.229 -14.122 1.914 1.00 0.00 H new ATOM 0 HG SER A 76 -7.302 -14.907 1.232 1.00 0.00 H new ATOM 1140 N TYR A 77 -4.819 -11.085 0.050 1.00 0.00 N ATOM 1141 CA TYR A 77 -3.791 -10.364 -0.697 1.00 0.00 C ATOM 1142 C TYR A 77 -4.381 -9.136 -1.386 1.00 0.00 C ATOM 1143 O TYR A 77 -5.600 -9.012 -1.513 1.00 0.00 O ATOM 1144 CB TYR A 77 -3.123 -11.282 -1.728 1.00 0.00 C ATOM 1145 CG TYR A 77 -4.094 -11.951 -2.674 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -4.621 -11.263 -3.761 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -4.483 -13.269 -2.481 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -5.509 -11.870 -4.625 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.370 -13.884 -3.342 1.00 0.00 C ATOM 1150 CZ TYR A 77 -5.881 -13.181 -4.413 1.00 0.00 C ATOM 1151 OH TYR A 77 -6.767 -13.791 -5.272 1.00 0.00 O ATOM 0 H TYR A 77 -5.609 -11.398 -0.515 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.033 -10.031 0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.408 -10.699 -2.309 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.556 -12.050 -1.202 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.331 -10.237 -3.932 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.085 -13.823 -1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.911 -11.321 -5.464 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.662 -14.911 -3.178 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.922 -14.714 -4.981 1.00 0.00 H new ATOM 1161 N VAL A 78 -3.509 -8.229 -1.822 1.00 0.00 N ATOM 1162 CA VAL A 78 -3.952 -7.009 -2.488 1.00 0.00 C ATOM 1163 C VAL A 78 -2.943 -6.536 -3.535 1.00 0.00 C ATOM 1164 O VAL A 78 -1.730 -6.672 -3.353 1.00 0.00 O ATOM 1165 CB VAL A 78 -4.202 -5.877 -1.465 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -2.916 -5.512 -0.732 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -4.806 -4.657 -2.146 1.00 0.00 C ATOM 0 H VAL A 78 -2.497 -8.316 -1.726 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.887 -7.248 -2.994 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.917 -6.240 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.118 -4.714 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.539 -6.386 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.170 -5.175 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.973 -3.873 -1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.122 -4.293 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.755 -4.930 -2.606 1.00 0.00 H new ATOM 1177 N ALA A 79 -3.455 -5.968 -4.627 1.00 0.00 N ATOM 1178 CA ALA A 79 -2.610 -5.458 -5.699 1.00 0.00 C ATOM 1179 C ALA A 79 -2.511 -3.941 -5.616 1.00 0.00 C ATOM 1180 O ALA A 79 -3.487 -3.272 -5.288 1.00 0.00 O ATOM 1181 CB ALA A 79 -3.156 -5.884 -7.056 1.00 0.00 C ATOM 0 H ALA A 79 -4.455 -5.851 -4.790 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.611 -5.878 -5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.513 -5.495 -7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.182 -6.972 -7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.165 -5.490 -7.182 1.00 0.00 H new ATOM 1187 N LEU A 80 -1.329 -3.400 -5.896 1.00 0.00 N ATOM 1188 CA LEU A 80 -1.122 -1.956 -5.837 1.00 0.00 C ATOM 1189 C LEU A 80 -0.291 -1.462 -7.016 1.00 0.00 C ATOM 1190 O LEU A 80 0.848 -1.895 -7.208 1.00 0.00 O ATOM 1191 CB LEU A 80 -0.439 -1.570 -4.521 1.00 0.00 C ATOM 1192 CG LEU A 80 -1.264 -1.832 -3.257 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -0.956 -3.212 -2.690 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -1.000 -0.754 -2.215 1.00 0.00 C ATOM 0 H LEU A 80 -0.504 -3.936 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.101 -1.480 -5.889 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.500 -2.118 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.187 -0.510 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.320 -1.801 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.552 -3.378 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.198 -3.973 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.103 -3.274 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.594 -0.956 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.058 -0.753 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.274 0.220 -2.621 1.00 0.00 H new ATOM 1206 N THR A 81 -0.861 -0.544 -7.794 1.00 0.00 N ATOM 1207 CA THR A 81 -0.165 0.025 -8.944 1.00 0.00 C ATOM 1208 C THR A 81 0.859 1.054 -8.476 1.00 0.00 C ATOM 1209 O THR A 81 0.499 2.181 -8.118 1.00 0.00 O ATOM 1210 CB THR A 81 -1.156 0.678 -9.915 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.258 -0.179 -10.162 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.541 1.038 -11.252 1.00 0.00 C ATOM 0 H THR A 81 -1.802 -0.179 -7.648 1.00 0.00 H new ATOM 0 HA THR A 81 0.348 -0.782 -9.468 1.00 0.00 H new ATOM 0 HB THR A 81 -1.475 1.597 -9.424 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.944 -0.998 -10.600 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.298 1.495 -11.889 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.277 1.741 -11.098 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.160 0.137 -11.732 1.00 0.00 H new ATOM 1220 N VAL A 82 2.130 0.651 -8.466 1.00 0.00 N ATOM 1221 CA VAL A 82 3.217 1.525 -8.030 1.00 0.00 C ATOM 1222 C VAL A 82 4.189 1.816 -9.173 1.00 0.00 C ATOM 1223 O VAL A 82 4.057 1.266 -10.265 1.00 0.00 O ATOM 1224 CB VAL A 82 3.996 0.901 -6.847 1.00 0.00 C ATOM 1225 CG1 VAL A 82 3.040 0.430 -5.759 1.00 0.00 C ATOM 1226 CG2 VAL A 82 4.875 -0.250 -7.321 1.00 0.00 C ATOM 0 H VAL A 82 2.432 -0.279 -8.756 1.00 0.00 H new ATOM 0 HA VAL A 82 2.761 2.460 -7.705 1.00 0.00 H new ATOM 0 HB VAL A 82 4.642 1.672 -6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.609 -0.005 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.462 1.278 -5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.364 -0.320 -6.169 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.412 -0.672 -6.471 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.252 -1.021 -7.775 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.591 0.118 -8.056 1.00 0.00 H new ATOM 1236 N GLN A 83 5.165 2.683 -8.913 1.00 0.00 N ATOM 1237 CA GLN A 83 6.161 3.047 -9.915 1.00 0.00 C ATOM 1238 C GLN A 83 7.502 3.379 -9.259 1.00 0.00 C ATOM 1239 O GLN A 83 7.551 3.780 -8.094 1.00 0.00 O ATOM 1240 CB GLN A 83 5.673 4.234 -10.756 1.00 0.00 C ATOM 1241 CG GLN A 83 5.494 5.527 -9.970 1.00 0.00 C ATOM 1242 CD GLN A 83 4.903 6.652 -10.806 1.00 0.00 C ATOM 1243 OE1 GLN A 83 4.405 6.426 -11.910 1.00 0.00 O ATOM 1244 NE2 GLN A 83 4.955 7.875 -10.286 1.00 0.00 N ATOM 0 H GLN A 83 5.287 3.147 -8.013 1.00 0.00 H new ATOM 0 HA GLN A 83 6.304 2.189 -10.572 1.00 0.00 H new ATOM 0 HB2 GLN A 83 6.384 4.409 -11.564 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.723 3.970 -11.220 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.846 5.339 -9.114 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.460 5.843 -9.576 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.376 8.022 -9.368 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.574 8.666 -10.805 1.00 0.00 H new ATOM 1253 N GLY A 84 8.586 3.205 -10.015 1.00 0.00 N ATOM 1254 CA GLY A 84 9.910 3.488 -9.491 1.00 0.00 C ATOM 1255 C GLY A 84 11.005 3.287 -10.523 1.00 0.00 C ATOM 1256 O GLY A 84 10.926 2.376 -11.351 1.00 0.00 O ATOM 0 H GLY A 84 8.569 2.873 -10.979 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.941 4.516 -9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.102 2.843 -8.633 1.00 0.00 H new ATOM 1260 N ARG A 85 12.030 4.135 -10.472 1.00 0.00 N ATOM 1261 CA ARG A 85 13.148 4.042 -11.406 1.00 0.00 C ATOM 1262 C ARG A 85 14.454 3.767 -10.663 1.00 0.00 C ATOM 1263 O ARG A 85 15.102 4.691 -10.166 1.00 0.00 O ATOM 1264 CB ARG A 85 13.268 5.331 -12.227 1.00 0.00 C ATOM 1265 CG ARG A 85 13.436 5.087 -13.718 1.00 0.00 C ATOM 1266 CD ARG A 85 12.215 4.405 -14.313 1.00 0.00 C ATOM 1267 NE ARG A 85 12.217 4.453 -15.774 1.00 0.00 N ATOM 1268 CZ ARG A 85 12.945 3.643 -16.548 1.00 0.00 C ATOM 1269 NH1 ARG A 85 13.723 2.709 -16.006 1.00 0.00 N ATOM 1270 NH2 ARG A 85 12.891 3.767 -17.870 1.00 0.00 N ATOM 0 H ARG A 85 12.109 4.893 -9.794 1.00 0.00 H new ATOM 0 HA ARG A 85 12.956 3.210 -12.084 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.379 5.940 -12.065 1.00 0.00 H new ATOM 0 HB3 ARG A 85 14.119 5.906 -11.863 1.00 0.00 H new ATOM 0 HG2 ARG A 85 13.607 6.036 -14.226 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.318 4.470 -13.889 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.184 3.366 -13.985 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.312 4.885 -13.936 1.00 0.00 H new ATOM 0 HE ARG A 85 11.626 5.148 -16.231 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.767 2.607 -14.992 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.275 2.095 -16.605 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.295 4.479 -18.291 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.446 3.150 -18.463 1.00 0.00 H new ATOM 1284 N PRO A 86 14.857 2.485 -10.578 1.00 0.00 N ATOM 1285 CA PRO A 86 16.093 2.086 -9.894 1.00 0.00 C ATOM 1286 C PRO A 86 17.342 2.529 -10.657 1.00 0.00 C ATOM 1287 O PRO A 86 17.607 2.045 -11.759 1.00 0.00 O ATOM 1288 CB PRO A 86 16.000 0.558 -9.851 1.00 0.00 C ATOM 1289 CG PRO A 86 15.120 0.196 -10.998 1.00 0.00 C ATOM 1290 CD PRO A 86 14.138 1.325 -11.143 1.00 0.00 C ATOM 0 HA PRO A 86 16.183 2.545 -8.909 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.984 0.099 -9.948 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.579 0.214 -8.906 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.702 0.067 -11.910 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.605 -0.747 -10.812 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.868 1.490 -12.186 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.213 1.124 -10.602 1.00 0.00 H new ATOM 1298 N PRO A 87 18.124 3.465 -10.081 1.00 0.00 N ATOM 1299 CA PRO A 87 19.348 3.981 -10.714 1.00 0.00 C ATOM 1300 C PRO A 87 20.344 2.876 -11.059 1.00 0.00 C ATOM 1301 O PRO A 87 20.695 2.056 -10.208 1.00 0.00 O ATOM 1302 CB PRO A 87 19.936 4.919 -9.654 1.00 0.00 C ATOM 1303 CG PRO A 87 18.777 5.304 -8.803 1.00 0.00 C ATOM 1304 CD PRO A 87 17.877 4.103 -8.773 1.00 0.00 C ATOM 0 HA PRO A 87 19.132 4.471 -11.663 1.00 0.00 H new ATOM 0 HB2 PRO A 87 20.708 4.420 -9.069 1.00 0.00 H new ATOM 0 HB3 PRO A 87 20.398 5.793 -10.112 1.00 0.00 H new ATOM 0 HG2 PRO A 87 19.102 5.575 -7.798 1.00 0.00 H new ATOM 0 HG3 PRO A 87 18.260 6.170 -9.215 1.00 0.00 H new ATOM 0 HD2 PRO A 87 18.123 3.436 -7.947 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.831 4.386 -8.654 1.00 0.00 H new ATOM 1312 N GLY A 88 20.793 2.861 -12.313 1.00 0.00 N ATOM 1313 CA GLY A 88 21.743 1.856 -12.758 1.00 0.00 C ATOM 1314 C GLY A 88 21.097 0.797 -13.630 1.00 0.00 C ATOM 1315 O GLY A 88 20.872 -0.329 -13.183 1.00 0.00 O ATOM 0 H GLY A 88 20.514 3.530 -13.030 1.00 0.00 H new ATOM 0 HA2 GLY A 88 22.546 2.340 -13.313 1.00 0.00 H new ATOM 0 HA3 GLY A 88 22.198 1.380 -11.889 1.00 0.00 H new ATOM 1319 N SER A 89 20.796 1.161 -14.875 1.00 0.00 N ATOM 1320 CA SER A 89 20.170 0.235 -15.816 1.00 0.00 C ATOM 1321 C SER A 89 20.825 0.330 -17.192 1.00 0.00 C ATOM 1322 O SER A 89 20.758 1.415 -17.808 1.00 0.00 O ATOM 1323 CB SER A 89 18.670 0.525 -15.925 1.00 0.00 C ATOM 1324 OG SER A 89 17.933 -0.228 -14.976 1.00 0.00 O ATOM 1325 OXT SER A 89 21.404 -0.682 -17.640 1.00 0.00 O ATOM 0 H SER A 89 20.975 2.090 -15.255 1.00 0.00 H new ATOM 0 HA SER A 89 20.310 -0.779 -15.440 1.00 0.00 H new ATOM 0 HB2 SER A 89 18.490 1.589 -15.768 1.00 0.00 H new ATOM 0 HB3 SER A 89 18.323 0.288 -16.931 1.00 0.00 H new ATOM 0 HG SER A 89 16.979 -0.023 -15.066 1.00 0.00 H new TER 1331 SER A 89 ATOM 1332 N VAL B 90 1.294 20.510 5.743 1.00 0.00 N ATOM 1333 CA VAL B 90 1.718 19.310 6.518 1.00 0.00 C ATOM 1334 C VAL B 90 1.067 18.042 5.969 1.00 0.00 C ATOM 1335 O VAL B 90 0.060 18.110 5.262 1.00 0.00 O ATOM 1336 CB VAL B 90 1.361 19.448 8.014 1.00 0.00 C ATOM 1337 CG1 VAL B 90 2.191 20.548 8.662 1.00 0.00 C ATOM 1338 CG2 VAL B 90 -0.129 19.718 8.186 1.00 0.00 C ATOM 0 HA VAL B 90 2.801 19.236 6.415 1.00 0.00 H new ATOM 0 HB VAL B 90 1.595 18.508 8.513 1.00 0.00 H new ATOM 0 HG11 VAL B 90 1.926 20.631 9.716 1.00 0.00 H new ATOM 0 HG12 VAL B 90 3.250 20.306 8.572 1.00 0.00 H new ATOM 0 HG13 VAL B 90 1.992 21.496 8.162 1.00 0.00 H new ATOM 0 HG21 VAL B 90 -0.362 19.812 9.247 1.00 0.00 H new ATOM 0 HG22 VAL B 90 -0.393 20.643 7.673 1.00 0.00 H new ATOM 0 HG23 VAL B 90 -0.700 18.892 7.761 1.00 0.00 H new ATOM 1350 N GLU B 91 1.645 16.887 6.298 1.00 0.00 N ATOM 1351 CA GLU B 91 1.113 15.610 5.834 1.00 0.00 C ATOM 1352 C GLU B 91 0.574 14.781 6.998 1.00 0.00 C ATOM 1353 O GLU B 91 1.218 14.667 8.043 1.00 0.00 O ATOM 1354 CB GLU B 91 2.186 14.819 5.079 1.00 0.00 C ATOM 1355 CG GLU B 91 3.517 14.723 5.813 1.00 0.00 C ATOM 1356 CD GLU B 91 4.518 13.836 5.096 1.00 0.00 C ATOM 1357 OE1 GLU B 91 4.917 14.184 3.964 1.00 0.00 O ATOM 1358 OE2 GLU B 91 4.905 12.796 5.669 1.00 0.00 O ATOM 0 H GLU B 91 2.478 16.811 6.882 1.00 0.00 H new ATOM 0 HA GLU B 91 0.288 15.823 5.154 1.00 0.00 H new ATOM 0 HB2 GLU B 91 1.814 13.812 4.889 1.00 0.00 H new ATOM 0 HB3 GLU B 91 2.351 15.286 4.108 1.00 0.00 H new ATOM 0 HG2 GLU B 91 3.938 15.722 5.926 1.00 0.00 H new ATOM 0 HG3 GLU B 91 3.347 14.334 6.817 1.00 0.00 H new ATOM 1365 N ASN B 92 -0.611 14.204 6.809 1.00 0.00 N ATOM 1366 CA ASN B 92 -1.243 13.383 7.838 1.00 0.00 C ATOM 1367 C ASN B 92 -1.940 12.166 7.219 1.00 0.00 C ATOM 1368 O ASN B 92 -3.018 11.766 7.660 1.00 0.00 O ATOM 1369 CB ASN B 92 -2.246 14.223 8.637 1.00 0.00 C ATOM 1370 CG ASN B 92 -2.263 13.858 10.109 1.00 0.00 C ATOM 1371 OD1 ASN B 92 -1.815 14.631 10.955 1.00 0.00 O ATOM 1372 ND2 ASN B 92 -2.780 12.675 10.423 1.00 0.00 N ATOM 0 H ASN B 92 -1.154 14.291 5.950 1.00 0.00 H new ATOM 0 HA ASN B 92 -0.467 13.020 8.512 1.00 0.00 H new ATOM 0 HB2 ASN B 92 -1.998 15.279 8.530 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -3.244 14.086 8.220 1.00 0.00 H new ATOM 0 HD21 ASN B 92 -2.816 12.377 11.398 1.00 0.00 H new ATOM 0 HD22 ASN B 92 -3.140 12.065 9.689 1.00 0.00 H new ATOM 1379 N LYS B 93 -1.314 11.582 6.195 1.00 0.00 N ATOM 1380 CA LYS B 93 -1.875 10.415 5.518 1.00 0.00 C ATOM 1381 C LYS B 93 -0.825 9.314 5.362 1.00 0.00 C ATOM 1382 O LYS B 93 -0.417 8.976 4.247 1.00 0.00 O ATOM 1383 CB LYS B 93 -2.435 10.816 4.149 1.00 0.00 C ATOM 1384 CG LYS B 93 -3.627 11.760 4.233 1.00 0.00 C ATOM 1385 CD LYS B 93 -4.024 12.286 2.861 1.00 0.00 C ATOM 1386 CE LYS B 93 -4.307 13.781 2.889 1.00 0.00 C ATOM 1387 NZ LYS B 93 -3.164 14.579 2.360 1.00 0.00 N ATOM 0 H LYS B 93 -0.420 11.899 5.818 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.687 10.023 6.131 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -1.645 11.292 3.567 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -2.731 9.917 3.609 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -4.473 11.240 4.682 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -3.383 12.597 4.887 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -3.226 12.081 2.148 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -4.909 11.755 2.510 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -5.199 13.992 2.299 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -4.521 14.090 3.912 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -3.400 15.591 2.398 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -2.318 14.399 2.938 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -2.975 14.304 1.375 1.00 0.00 H new ATOM 1401 N VAL B 94 -0.395 8.756 6.493 1.00 0.00 N ATOM 1402 CA VAL B 94 0.605 7.690 6.500 1.00 0.00 C ATOM 1403 C VAL B 94 0.006 6.388 7.031 1.00 0.00 C ATOM 1404 O VAL B 94 -0.733 6.392 8.017 1.00 0.00 O ATOM 1405 CB VAL B 94 1.835 8.082 7.352 1.00 0.00 C ATOM 1406 CG1 VAL B 94 1.443 8.321 8.806 1.00 0.00 C ATOM 1407 CG2 VAL B 94 2.925 7.020 7.253 1.00 0.00 C ATOM 0 H VAL B 94 -0.725 9.026 7.419 1.00 0.00 H new ATOM 0 HA VAL B 94 0.929 7.539 5.470 1.00 0.00 H new ATOM 0 HB VAL B 94 2.232 9.016 6.954 1.00 0.00 H new ATOM 0 HG11 VAL B 94 2.328 8.595 9.381 1.00 0.00 H new ATOM 0 HG12 VAL B 94 0.712 9.128 8.858 1.00 0.00 H new ATOM 0 HG13 VAL B 94 1.009 7.411 9.220 1.00 0.00 H new ATOM 0 HG21 VAL B 94 3.780 7.318 7.860 1.00 0.00 H new ATOM 0 HG22 VAL B 94 2.538 6.067 7.614 1.00 0.00 H new ATOM 0 HG23 VAL B 94 3.237 6.915 6.214 1.00 0.00 H new ATOM 1417 N THR B 95 0.326 5.276 6.370 1.00 0.00 N ATOM 1418 CA THR B 95 -0.188 3.966 6.770 1.00 0.00 C ATOM 1419 C THR B 95 0.861 2.876 6.555 1.00 0.00 C ATOM 1420 O THR B 95 1.518 2.836 5.514 1.00 0.00 O ATOM 1421 CB THR B 95 -1.452 3.628 5.972 1.00 0.00 C ATOM 1422 OG1 THR B 95 -2.251 4.784 5.768 1.00 0.00 O ATOM 1423 CG2 THR B 95 -2.318 2.580 6.639 1.00 0.00 C ATOM 0 H THR B 95 0.939 5.256 5.555 1.00 0.00 H new ATOM 0 HA THR B 95 -0.430 4.010 7.832 1.00 0.00 H new ATOM 0 HB THR B 95 -1.092 3.230 5.023 1.00 0.00 H new ATOM 0 HG1 THR B 95 -2.593 5.102 6.630 1.00 0.00 H new ATOM 0 HG21 THR B 95 -3.196 2.387 6.022 1.00 0.00 H new ATOM 0 HG22 THR B 95 -1.748 1.658 6.757 1.00 0.00 H new ATOM 0 HG23 THR B 95 -2.634 2.939 7.618 1.00 0.00 H new ATOM 1431 N ASP B 96 1.010 1.990 7.538 1.00 0.00 N ATOM 1432 CA ASP B 96 1.979 0.902 7.444 1.00 0.00 C ATOM 1433 C ASP B 96 1.423 -0.389 8.041 1.00 0.00 C ATOM 1434 O ASP B 96 0.551 -0.359 8.912 1.00 0.00 O ATOM 1435 CB ASP B 96 3.288 1.292 8.141 1.00 0.00 C ATOM 1436 CG ASP B 96 3.112 1.551 9.626 1.00 0.00 C ATOM 1437 OD1 ASP B 96 2.558 2.613 9.983 1.00 0.00 O ATOM 1438 OD2 ASP B 96 3.532 0.694 10.432 1.00 0.00 O ATOM 0 H ASP B 96 0.474 2.005 8.406 1.00 0.00 H new ATOM 0 HA ASP B 96 2.181 0.723 6.388 1.00 0.00 H new ATOM 0 HB2 ASP B 96 4.020 0.496 8.000 1.00 0.00 H new ATOM 0 HB3 ASP B 96 3.694 2.186 7.667 1.00 0.00 H new ATOM 1443 N LEU B 97 1.935 -1.522 7.559 1.00 0.00 N ATOM 1444 CA LEU B 97 1.501 -2.838 8.030 1.00 0.00 C ATOM 1445 C LEU B 97 2.655 -3.605 8.683 1.00 0.00 C ATOM 1446 O LEU B 97 2.444 -4.777 9.063 1.00 0.00 O ATOM 1447 CB LEU B 97 0.928 -3.651 6.861 1.00 0.00 C ATOM 1448 CG LEU B 97 -0.575 -3.484 6.620 1.00 0.00 C ATOM 1449 CD1 LEU B 97 -1.356 -3.754 7.894 1.00 0.00 C ATOM 1450 CD2 LEU B 97 -0.881 -2.089 6.090 1.00 0.00 C ATOM 1451 OXT LEU B 97 3.759 -3.031 8.808 1.00 0.00 O ATOM 0 H LEU B 97 2.656 -1.554 6.838 1.00 0.00 H new ATOM 0 HA LEU B 97 0.727 -2.688 8.782 1.00 0.00 H new ATOM 0 HB2 LEU B 97 1.458 -3.370 5.951 1.00 0.00 H new ATOM 0 HB3 LEU B 97 1.135 -4.706 7.038 1.00 0.00 H new ATOM 0 HG LEU B 97 -0.883 -4.212 5.869 1.00 0.00 H new ATOM 0 HD11 LEU B 97 -2.422 -3.630 7.701 1.00 0.00 H new ATOM 0 HD12 LEU B 97 -1.164 -4.773 8.229 1.00 0.00 H new ATOM 0 HD13 LEU B 97 -1.044 -3.053 8.668 1.00 0.00 H new ATOM 0 HD21 LEU B 97 -1.954 -1.990 5.925 1.00 0.00 H new ATOM 0 HD22 LEU B 97 -0.555 -1.344 6.816 1.00 0.00 H new ATOM 0 HD23 LEU B 97 -0.353 -1.933 5.149 1.00 0.00 H new TER 1463 LEU B 97