USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 615 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 57 SER OG : rot 130:sc= -1.88 USER MOD Set 1.2: A 59 MET CE :methyl -140:sc= -2.84! (180deg=-5.48!) USER MOD Set 2.1: A 40 MET CE :methyl -111:sc= -3.39 (180deg=-8.59!) USER MOD Set 2.2: A 47 THR OG1 : rot -160:sc= -0.445 USER MOD Set 3.1: A 23 ASN : amide:sc= -6.56! C(o=-10!,f=-22!) USER MOD Set 3.2: A 24 GLN : amide:sc= -3.87! C(o=-10!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.133 (180deg=0) USER MOD Single : A 2 SER OG : rot -155:sc= 0.261 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 46:sc= 0.746 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -2.7 K(o=-2.7,f=-1.9) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -12:sc= -0.0682 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.8) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -172:sc= -1.07 (180deg=-1.21) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 34 GLN : amide:sc= -1.98 X(o=-2,f=-2.2) USER MOD Single : A 39 ASN : amide:sc=-0.00124 K(o=-0.0012,f=-3.5!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.3!) USER MOD Single : A 62 ASN : amide:sc= -1.41 K(o=-1.4,f=-5.6!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.967 -16.591 -3.191 1.00 0.00 N ATOM 2 CA GLY A 1 -4.410 -15.290 -3.520 1.00 0.00 C ATOM 3 C GLY A 1 -5.494 -14.210 -3.506 1.00 0.00 C ATOM 4 O GLY A 1 -6.656 -14.495 -3.222 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.503 -16.961 -2.337 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.988 -16.498 -3.018 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.809 -17.247 -3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.628 -15.034 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.943 -15.329 -4.504 1.00 0.00 H new ATOM 8 N SER A 2 -5.075 -12.992 -3.818 1.00 0.00 N ATOM 9 CA SER A 2 -5.995 -11.868 -3.845 1.00 0.00 C ATOM 10 C SER A 2 -5.408 -10.731 -4.683 1.00 0.00 C ATOM 11 O SER A 2 -4.644 -9.911 -4.175 1.00 0.00 O ATOM 12 CB SER A 2 -6.308 -11.378 -2.430 1.00 0.00 C ATOM 13 OG SER A 2 -7.623 -11.741 -2.017 1.00 0.00 O ATOM 0 H SER A 2 -4.110 -12.759 -4.054 1.00 0.00 H new ATOM 0 HA SER A 2 -6.928 -12.201 -4.299 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.581 -11.795 -1.733 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.202 -10.294 -2.390 1.00 0.00 H new ATOM 0 HG SER A 2 -7.937 -11.112 -1.334 1.00 0.00 H new ATOM 19 N SER A 3 -5.787 -10.717 -5.952 1.00 0.00 N ATOM 20 CA SER A 3 -5.307 -9.694 -6.866 1.00 0.00 C ATOM 21 C SER A 3 -6.384 -9.372 -7.903 1.00 0.00 C ATOM 22 O SER A 3 -6.846 -10.258 -8.619 1.00 0.00 O ATOM 23 CB SER A 3 -4.017 -10.136 -7.560 1.00 0.00 C ATOM 24 OG SER A 3 -3.157 -9.035 -7.840 1.00 0.00 O ATOM 0 H SER A 3 -6.421 -11.398 -6.369 1.00 0.00 H new ATOM 0 HA SER A 3 -5.087 -8.796 -6.289 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.493 -10.854 -6.929 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.263 -10.649 -8.490 1.00 0.00 H new ATOM 0 HG SER A 3 -2.344 -9.359 -8.281 1.00 0.00 H new ATOM 30 N GLY A 4 -6.753 -8.100 -7.951 1.00 0.00 N ATOM 31 CA GLY A 4 -7.767 -7.649 -8.889 1.00 0.00 C ATOM 32 C GLY A 4 -7.767 -6.124 -9.006 1.00 0.00 C ATOM 33 O GLY A 4 -7.026 -5.560 -9.811 1.00 0.00 O ATOM 0 H GLY A 4 -6.368 -7.367 -7.355 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.585 -8.092 -9.868 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.748 -7.992 -8.562 1.00 0.00 H new ATOM 37 N SER A 5 -8.605 -5.499 -8.192 1.00 0.00 N ATOM 38 CA SER A 5 -8.710 -4.050 -8.195 1.00 0.00 C ATOM 39 C SER A 5 -7.724 -3.452 -7.190 1.00 0.00 C ATOM 40 O SER A 5 -8.112 -3.069 -6.087 1.00 0.00 O ATOM 41 CB SER A 5 -10.137 -3.601 -7.871 1.00 0.00 C ATOM 42 OG SER A 5 -10.555 -4.041 -6.582 1.00 0.00 O ATOM 0 H SER A 5 -9.218 -5.970 -7.526 1.00 0.00 H new ATOM 0 HA SER A 5 -8.463 -3.691 -9.194 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.195 -2.514 -7.919 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.820 -3.990 -8.626 1.00 0.00 H new ATOM 0 HG SER A 5 -9.846 -3.862 -5.929 1.00 0.00 H new ATOM 48 N SER A 6 -6.468 -3.390 -7.606 1.00 0.00 N ATOM 49 CA SER A 6 -5.424 -2.845 -6.756 1.00 0.00 C ATOM 50 C SER A 6 -4.272 -2.318 -7.614 1.00 0.00 C ATOM 51 O SER A 6 -4.066 -2.781 -8.735 1.00 0.00 O ATOM 52 CB SER A 6 -4.913 -3.896 -5.768 1.00 0.00 C ATOM 53 OG SER A 6 -4.161 -4.917 -6.418 1.00 0.00 O ATOM 0 H SER A 6 -6.150 -3.708 -8.521 1.00 0.00 H new ATOM 0 HA SER A 6 -5.847 -2.021 -6.181 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.292 -3.413 -5.013 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.758 -4.345 -5.246 1.00 0.00 H new ATOM 0 HG SER A 6 -3.851 -5.568 -5.754 1.00 0.00 H new ATOM 59 N GLY A 7 -3.550 -1.358 -7.055 1.00 0.00 N ATOM 60 CA GLY A 7 -2.424 -0.764 -7.755 1.00 0.00 C ATOM 61 C GLY A 7 -1.277 -0.458 -6.790 1.00 0.00 C ATOM 62 O GLY A 7 -0.900 0.699 -6.614 1.00 0.00 O ATOM 0 H GLY A 7 -3.723 -0.977 -6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.077 -1.443 -8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.742 0.154 -8.250 1.00 0.00 H new ATOM 66 N LEU A 8 -0.755 -1.517 -6.188 1.00 0.00 N ATOM 67 CA LEU A 8 0.341 -1.377 -5.245 1.00 0.00 C ATOM 68 C LEU A 8 1.471 -2.331 -5.638 1.00 0.00 C ATOM 69 O LEU A 8 2.628 -1.923 -5.733 1.00 0.00 O ATOM 70 CB LEU A 8 -0.157 -1.571 -3.812 1.00 0.00 C ATOM 71 CG LEU A 8 -0.670 -0.315 -3.104 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.884 0.267 -3.831 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.967 -0.599 -1.630 1.00 0.00 C ATOM 0 H LEU A 8 -1.071 -2.476 -6.335 1.00 0.00 H new ATOM 0 HA LEU A 8 0.749 -0.367 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.958 -2.310 -3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.656 -1.991 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 8 0.116 0.439 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.229 1.159 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.605 0.530 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.684 -0.473 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.330 0.310 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.727 -1.377 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.056 -0.933 -1.133 1.00 0.00 H new ATOM 85 N ASP A 9 1.097 -3.583 -5.854 1.00 0.00 N ATOM 86 CA ASP A 9 2.065 -4.598 -6.234 1.00 0.00 C ATOM 87 C ASP A 9 3.008 -4.026 -7.295 1.00 0.00 C ATOM 88 O ASP A 9 4.159 -4.448 -7.399 1.00 0.00 O ATOM 89 CB ASP A 9 1.371 -5.825 -6.830 1.00 0.00 C ATOM 90 CG ASP A 9 0.219 -5.515 -7.787 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.912 -5.350 -7.280 1.00 0.00 O ATOM 92 OD2 ASP A 9 0.494 -5.448 -9.005 1.00 0.00 O ATOM 0 H ASP A 9 0.137 -3.918 -5.773 1.00 0.00 H new ATOM 0 HA ASP A 9 2.613 -4.893 -5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.113 -6.422 -7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.991 -6.440 -6.015 1.00 0.00 H new ATOM 97 N HIS A 10 2.485 -3.075 -8.055 1.00 0.00 N ATOM 98 CA HIS A 10 3.265 -2.441 -9.103 1.00 0.00 C ATOM 99 C HIS A 10 4.039 -1.256 -8.522 1.00 0.00 C ATOM 100 O HIS A 10 5.205 -1.048 -8.854 1.00 0.00 O ATOM 101 CB HIS A 10 2.373 -2.046 -10.282 1.00 0.00 C ATOM 102 CG HIS A 10 1.652 -0.733 -10.092 1.00 0.00 C ATOM 103 ND1 HIS A 10 0.530 -0.602 -9.293 1.00 0.00 N ATOM 104 CD2 HIS A 10 1.905 0.505 -10.606 1.00 0.00 C ATOM 105 CE1 HIS A 10 0.133 0.662 -9.332 1.00 0.00 C ATOM 106 NE2 HIS A 10 0.987 1.346 -10.147 1.00 0.00 N ATOM 0 H HIS A 10 1.530 -2.728 -7.965 1.00 0.00 H new ATOM 0 HA HIS A 10 3.995 -3.149 -9.496 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.984 -1.987 -11.183 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.637 -2.833 -10.447 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.715 0.758 -11.274 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.717 1.077 -8.811 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.929 2.340 -10.367 1.00 0.00 H new ATOM 114 N ILE A 11 3.359 -0.510 -7.664 1.00 0.00 N ATOM 115 CA ILE A 11 3.967 0.649 -7.034 1.00 0.00 C ATOM 116 C ILE A 11 5.378 0.287 -6.564 1.00 0.00 C ATOM 117 O ILE A 11 5.642 -0.862 -6.211 1.00 0.00 O ATOM 118 CB ILE A 11 3.067 1.188 -5.920 1.00 0.00 C ATOM 119 CG1 ILE A 11 1.843 1.898 -6.500 1.00 0.00 C ATOM 120 CG2 ILE A 11 3.854 2.088 -4.966 1.00 0.00 C ATOM 121 CD1 ILE A 11 1.033 2.583 -5.397 1.00 0.00 C ATOM 0 H ILE A 11 2.392 -0.686 -7.390 1.00 0.00 H new ATOM 0 HA ILE A 11 4.068 1.463 -7.752 1.00 0.00 H new ATOM 0 HB ILE A 11 2.702 0.343 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.161 2.637 -7.235 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.215 1.178 -7.024 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.191 2.458 -4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.665 1.518 -4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.268 2.931 -5.519 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.168 3.080 -5.836 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.696 1.838 -4.677 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.657 3.320 -4.891 1.00 0.00 H new ATOM 133 N THR A 12 6.246 1.287 -6.574 1.00 0.00 N ATOM 134 CA THR A 12 7.622 1.089 -6.153 1.00 0.00 C ATOM 135 C THR A 12 7.893 1.836 -4.846 1.00 0.00 C ATOM 136 O THR A 12 7.407 2.949 -4.651 1.00 0.00 O ATOM 137 CB THR A 12 8.535 1.522 -7.302 1.00 0.00 C ATOM 138 OG1 THR A 12 7.841 1.105 -8.474 1.00 0.00 O ATOM 139 CG2 THR A 12 9.843 0.729 -7.342 1.00 0.00 C ATOM 0 H THR A 12 6.023 2.238 -6.867 1.00 0.00 H new ATOM 0 HA THR A 12 7.823 0.039 -5.938 1.00 0.00 H new ATOM 0 HB THR A 12 8.758 2.585 -7.207 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.363 1.348 -9.267 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.454 1.076 -8.176 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.386 0.876 -6.409 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.622 -0.331 -7.470 1.00 0.00 H new ATOM 147 N VAL A 13 8.669 1.194 -3.985 1.00 0.00 N ATOM 148 CA VAL A 13 9.011 1.784 -2.702 1.00 0.00 C ATOM 149 C VAL A 13 10.507 2.106 -2.676 1.00 0.00 C ATOM 150 O VAL A 13 11.329 1.286 -3.082 1.00 0.00 O ATOM 151 CB VAL A 13 8.580 0.854 -1.567 1.00 0.00 C ATOM 152 CG1 VAL A 13 8.904 1.466 -0.203 1.00 0.00 C ATOM 153 CG2 VAL A 13 7.092 0.511 -1.674 1.00 0.00 C ATOM 0 H VAL A 13 9.071 0.271 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 13 8.474 2.722 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 13 9.146 -0.073 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.587 0.784 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.978 1.636 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.378 2.415 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.812 -0.151 -0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.503 1.426 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.901 0.014 -2.625 1.00 0.00 H new ATOM 163 N VAL A 14 10.814 3.301 -2.193 1.00 0.00 N ATOM 164 CA VAL A 14 12.197 3.741 -2.109 1.00 0.00 C ATOM 165 C VAL A 14 12.834 3.164 -0.843 1.00 0.00 C ATOM 166 O VAL A 14 12.478 3.553 0.268 1.00 0.00 O ATOM 167 CB VAL A 14 12.265 5.268 -2.170 1.00 0.00 C ATOM 168 CG1 VAL A 14 13.606 5.779 -1.642 1.00 0.00 C ATOM 169 CG2 VAL A 14 12.008 5.771 -3.592 1.00 0.00 C ATOM 0 H VAL A 14 10.130 3.978 -1.856 1.00 0.00 H new ATOM 0 HA VAL A 14 12.769 3.370 -2.959 1.00 0.00 H new ATOM 0 HB VAL A 14 11.479 5.664 -1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.628 6.867 -1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.733 5.465 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.415 5.369 -2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.062 6.860 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.761 5.360 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.018 5.452 -3.917 1.00 0.00 H new ATOM 179 N THR A 15 13.766 2.246 -1.053 1.00 0.00 N ATOM 180 CA THR A 15 14.457 1.613 0.057 1.00 0.00 C ATOM 181 C THR A 15 15.723 2.394 0.413 1.00 0.00 C ATOM 182 O THR A 15 15.976 3.461 -0.144 1.00 0.00 O ATOM 183 CB THR A 15 14.728 0.156 -0.325 1.00 0.00 C ATOM 184 OG1 THR A 15 15.696 0.245 -1.367 1.00 0.00 O ATOM 185 CG2 THR A 15 13.523 -0.509 -0.991 1.00 0.00 C ATOM 0 H THR A 15 14.059 1.925 -1.976 1.00 0.00 H new ATOM 0 HA THR A 15 13.846 1.620 0.959 1.00 0.00 H new ATOM 0 HB THR A 15 15.006 -0.407 0.566 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.762 1.173 -1.674 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.769 -1.541 -1.241 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.675 -0.494 -0.307 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.265 0.033 -1.901 1.00 0.00 H new ATOM 193 N ALA A 16 16.485 1.832 1.341 1.00 0.00 N ATOM 194 CA ALA A 16 17.718 2.463 1.778 1.00 0.00 C ATOM 195 C ALA A 16 18.419 3.094 0.573 1.00 0.00 C ATOM 196 O ALA A 16 18.287 4.293 0.331 1.00 0.00 O ATOM 197 CB ALA A 16 18.596 1.430 2.488 1.00 0.00 C ATOM 0 H ALA A 16 16.272 0.947 1.802 1.00 0.00 H new ATOM 0 HA ALA A 16 17.509 3.260 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 16 19.522 1.903 2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.064 1.034 3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.828 0.616 1.801 1.00 0.00 H new ATOM 203 N ASP A 17 19.149 2.258 -0.151 1.00 0.00 N ATOM 204 CA ASP A 17 19.870 2.719 -1.325 1.00 0.00 C ATOM 205 C ASP A 17 19.473 1.865 -2.531 1.00 0.00 C ATOM 206 O ASP A 17 20.330 1.281 -3.192 1.00 0.00 O ATOM 207 CB ASP A 17 21.382 2.587 -1.130 1.00 0.00 C ATOM 208 CG ASP A 17 22.220 3.660 -1.828 1.00 0.00 C ATOM 209 OD1 ASP A 17 21.991 4.850 -1.519 1.00 0.00 O ATOM 210 OD2 ASP A 17 23.071 3.267 -2.655 1.00 0.00 O ATOM 0 H ASP A 17 19.257 1.264 0.053 1.00 0.00 H new ATOM 0 HA ASP A 17 19.617 3.767 -1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 17 21.599 2.615 -0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 17 21.696 1.609 -1.493 1.00 0.00 H new ATOM 215 N GLY A 18 18.172 1.819 -2.780 1.00 0.00 N ATOM 216 CA GLY A 18 17.651 1.046 -3.895 1.00 0.00 C ATOM 217 C GLY A 18 16.130 1.182 -3.993 1.00 0.00 C ATOM 218 O GLY A 18 15.506 1.829 -3.153 1.00 0.00 O ATOM 0 H GLY A 18 17.464 2.304 -2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 18 18.111 1.385 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 18 17.919 -0.003 -3.771 1.00 0.00 H new ATOM 222 N LYS A 19 15.578 0.563 -5.025 1.00 0.00 N ATOM 223 CA LYS A 19 14.142 0.607 -5.244 1.00 0.00 C ATOM 224 C LYS A 19 13.617 -0.816 -5.443 1.00 0.00 C ATOM 225 O LYS A 19 14.341 -1.688 -5.920 1.00 0.00 O ATOM 226 CB LYS A 19 13.804 1.553 -6.398 1.00 0.00 C ATOM 227 CG LYS A 19 12.593 2.424 -6.056 1.00 0.00 C ATOM 228 CD LYS A 19 12.017 3.079 -7.313 1.00 0.00 C ATOM 229 CE LYS A 19 12.494 4.527 -7.444 1.00 0.00 C ATOM 230 NZ LYS A 19 13.320 4.692 -8.661 1.00 0.00 N ATOM 0 H LYS A 19 16.099 0.028 -5.720 1.00 0.00 H new ATOM 0 HA LYS A 19 13.636 1.015 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.663 2.188 -6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.598 0.975 -7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.827 1.816 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.884 3.194 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.318 2.512 -8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.928 3.053 -7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.635 5.197 -7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.073 4.807 -6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.636 5.680 -8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.149 4.067 -8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.756 4.445 -9.499 1.00 0.00 H new ATOM 244 N VAL A 20 12.361 -1.007 -5.067 1.00 0.00 N ATOM 245 CA VAL A 20 11.730 -2.310 -5.198 1.00 0.00 C ATOM 246 C VAL A 20 10.213 -2.132 -5.276 1.00 0.00 C ATOM 247 O VAL A 20 9.693 -1.061 -4.966 1.00 0.00 O ATOM 248 CB VAL A 20 12.167 -3.221 -4.049 1.00 0.00 C ATOM 249 CG1 VAL A 20 13.680 -3.447 -4.073 1.00 0.00 C ATOM 250 CG2 VAL A 20 11.719 -2.655 -2.700 1.00 0.00 C ATOM 0 H VAL A 20 11.763 -0.281 -4.672 1.00 0.00 H new ATOM 0 HA VAL A 20 12.048 -2.797 -6.120 1.00 0.00 H new ATOM 0 HB VAL A 20 11.682 -4.188 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.964 -4.098 -3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 20 13.963 -3.914 -5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.192 -2.490 -3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.042 -3.322 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.163 -1.670 -2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.632 -2.569 -2.684 1.00 0.00 H new ATOM 260 N ALA A 21 9.544 -3.197 -5.692 1.00 0.00 N ATOM 261 CA ALA A 21 8.096 -3.172 -5.814 1.00 0.00 C ATOM 262 C ALA A 21 7.469 -3.351 -4.431 1.00 0.00 C ATOM 263 O ALA A 21 8.068 -3.961 -3.547 1.00 0.00 O ATOM 264 CB ALA A 21 7.649 -4.251 -6.802 1.00 0.00 C ATOM 0 H ALA A 21 9.978 -4.083 -5.949 1.00 0.00 H new ATOM 0 HA ALA A 21 7.760 -2.212 -6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.563 -4.233 -6.894 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.099 -4.061 -7.776 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.966 -5.229 -6.441 1.00 0.00 H new ATOM 270 N LEU A 22 6.269 -2.808 -4.286 1.00 0.00 N ATOM 271 CA LEU A 22 5.553 -2.900 -3.025 1.00 0.00 C ATOM 272 C LEU A 22 5.300 -4.372 -2.693 1.00 0.00 C ATOM 273 O LEU A 22 5.017 -4.713 -1.546 1.00 0.00 O ATOM 274 CB LEU A 22 4.281 -2.051 -3.068 1.00 0.00 C ATOM 275 CG LEU A 22 4.088 -1.072 -1.908 1.00 0.00 C ATOM 276 CD1 LEU A 22 2.698 -0.435 -1.953 1.00 0.00 C ATOM 277 CD2 LEU A 22 4.363 -1.752 -0.565 1.00 0.00 C ATOM 0 H LEU A 22 5.775 -2.303 -5.021 1.00 0.00 H new ATOM 0 HA LEU A 22 6.155 -2.489 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.277 -1.485 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.422 -2.721 -3.099 1.00 0.00 H new ATOM 0 HG LEU A 22 4.815 -0.267 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.587 0.256 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.576 0.107 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.938 -1.214 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.219 -1.034 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.677 -2.589 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.390 -2.118 -0.546 1.00 0.00 H new ATOM 289 N ASN A 23 5.411 -5.204 -3.718 1.00 0.00 N ATOM 290 CA ASN A 23 5.197 -6.631 -3.550 1.00 0.00 C ATOM 291 C ASN A 23 6.548 -7.327 -3.378 1.00 0.00 C ATOM 292 O ASN A 23 6.736 -8.450 -3.844 1.00 0.00 O ATOM 293 CB ASN A 23 4.508 -7.233 -4.777 1.00 0.00 C ATOM 294 CG ASN A 23 5.341 -7.007 -6.040 1.00 0.00 C ATOM 295 OD1 ASN A 23 6.510 -6.660 -5.990 1.00 0.00 O ATOM 296 ND2 ASN A 23 4.677 -7.222 -7.172 1.00 0.00 N ATOM 0 H ASN A 23 5.646 -4.917 -4.668 1.00 0.00 H new ATOM 0 HA ASN A 23 4.565 -6.777 -2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.355 -8.301 -4.625 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.523 -6.784 -4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.145 -7.098 -8.070 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.699 -7.511 -7.143 1.00 0.00 H new ATOM 303 N GLN A 24 7.455 -6.632 -2.706 1.00 0.00 N ATOM 304 CA GLN A 24 8.783 -7.170 -2.466 1.00 0.00 C ATOM 305 C GLN A 24 9.167 -6.999 -0.995 1.00 0.00 C ATOM 306 O GLN A 24 9.527 -7.967 -0.327 1.00 0.00 O ATOM 307 CB GLN A 24 9.816 -6.510 -3.383 1.00 0.00 C ATOM 308 CG GLN A 24 9.321 -6.475 -4.830 1.00 0.00 C ATOM 309 CD GLN A 24 9.114 -7.890 -5.373 1.00 0.00 C ATOM 310 OE1 GLN A 24 9.411 -8.881 -4.727 1.00 0.00 O ATOM 311 NE2 GLN A 24 8.588 -7.929 -6.594 1.00 0.00 N ATOM 0 H GLN A 24 7.296 -5.701 -2.320 1.00 0.00 H new ATOM 0 HA GLN A 24 8.769 -8.235 -2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.017 -5.495 -3.039 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.757 -7.057 -3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.384 -5.920 -4.884 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.042 -5.945 -5.452 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.362 -7.061 -7.080 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.410 -8.827 -7.044 1.00 0.00 H new ATOM 320 N ILE A 25 9.077 -5.760 -0.533 1.00 0.00 N ATOM 321 CA ILE A 25 9.411 -5.450 0.846 1.00 0.00 C ATOM 322 C ILE A 25 8.349 -6.050 1.770 1.00 0.00 C ATOM 323 O ILE A 25 8.582 -6.211 2.967 1.00 0.00 O ATOM 324 CB ILE A 25 9.602 -3.943 1.026 1.00 0.00 C ATOM 325 CG1 ILE A 25 8.284 -3.195 0.817 1.00 0.00 C ATOM 326 CG2 ILE A 25 10.710 -3.418 0.111 1.00 0.00 C ATOM 327 CD1 ILE A 25 8.475 -1.687 0.993 1.00 0.00 C ATOM 0 H ILE A 25 8.778 -4.959 -1.090 1.00 0.00 H new ATOM 0 HA ILE A 25 10.364 -5.903 1.118 1.00 0.00 H new ATOM 0 HB ILE A 25 9.918 -3.759 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.899 -3.402 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.540 -3.556 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.825 -2.344 0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.648 -3.920 0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.447 -3.615 -0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.523 -1.179 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.837 -1.481 2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.201 -1.325 0.265 1.00 0.00 H new ATOM 339 N GLY A 26 7.205 -6.363 1.180 1.00 0.00 N ATOM 340 CA GLY A 26 6.107 -6.941 1.935 1.00 0.00 C ATOM 341 C GLY A 26 5.184 -7.755 1.025 1.00 0.00 C ATOM 342 O GLY A 26 5.282 -7.672 -0.198 1.00 0.00 O ATOM 0 H GLY A 26 7.015 -6.227 0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.501 -7.580 2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.538 -6.148 2.421 1.00 0.00 H new ATOM 346 N GLN A 27 4.310 -8.524 1.658 1.00 0.00 N ATOM 347 CA GLN A 27 3.371 -9.352 0.921 1.00 0.00 C ATOM 348 C GLN A 27 1.993 -8.686 0.882 1.00 0.00 C ATOM 349 O GLN A 27 1.333 -8.557 1.911 1.00 0.00 O ATOM 350 CB GLN A 27 3.285 -10.755 1.526 1.00 0.00 C ATOM 351 CG GLN A 27 4.143 -11.745 0.736 1.00 0.00 C ATOM 352 CD GLN A 27 3.274 -12.812 0.067 1.00 0.00 C ATOM 353 OE1 GLN A 27 2.127 -12.585 -0.282 1.00 0.00 O ATOM 354 NE2 GLN A 27 3.882 -13.984 -0.093 1.00 0.00 N ATOM 0 H GLN A 27 4.233 -8.591 2.673 1.00 0.00 H new ATOM 0 HA GLN A 27 3.732 -9.455 -0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.616 -10.728 2.564 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.248 -11.090 1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.717 -11.211 -0.021 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.862 -12.222 1.403 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.844 -14.107 0.222 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.386 -14.760 -0.531 1.00 0.00 H new ATOM 363 N ILE A 28 1.601 -8.282 -0.318 1.00 0.00 N ATOM 364 CA ILE A 28 0.314 -7.633 -0.504 1.00 0.00 C ATOM 365 C ILE A 28 -0.787 -8.694 -0.538 1.00 0.00 C ATOM 366 O ILE A 28 -0.781 -9.573 -1.399 1.00 0.00 O ATOM 367 CB ILE A 28 0.342 -6.735 -1.743 1.00 0.00 C ATOM 368 CG1 ILE A 28 1.175 -5.477 -1.490 1.00 0.00 C ATOM 369 CG2 ILE A 28 -1.077 -6.399 -2.208 1.00 0.00 C ATOM 370 CD1 ILE A 28 2.039 -5.139 -2.707 1.00 0.00 C ATOM 0 H ILE A 28 2.151 -8.391 -1.170 1.00 0.00 H new ATOM 0 HA ILE A 28 0.095 -6.973 0.335 1.00 0.00 H new ATOM 0 HB ILE A 28 0.825 -7.283 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.516 -4.639 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.811 -5.627 -0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.029 -5.760 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.606 -7.319 -2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.607 -5.878 -1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.621 -4.241 -2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.714 -5.969 -2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.398 -4.966 -3.571 1.00 0.00 H new ATOM 382 N SER A 29 -1.707 -8.578 0.408 1.00 0.00 N ATOM 383 CA SER A 29 -2.812 -9.516 0.497 1.00 0.00 C ATOM 384 C SER A 29 -4.121 -8.762 0.737 1.00 0.00 C ATOM 385 O SER A 29 -4.399 -8.333 1.856 1.00 0.00 O ATOM 386 CB SER A 29 -2.578 -10.539 1.611 1.00 0.00 C ATOM 387 OG SER A 29 -3.648 -11.476 1.709 1.00 0.00 O ATOM 0 H SER A 29 -1.709 -7.848 1.120 1.00 0.00 H new ATOM 0 HA SER A 29 -2.879 -10.056 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.646 -11.072 1.424 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.463 -10.019 2.562 1.00 0.00 H new ATOM 0 HG SER A 29 -3.460 -12.113 2.430 1.00 0.00 H new ATOM 393 N MET A 30 -4.891 -8.622 -0.333 1.00 0.00 N ATOM 394 CA MET A 30 -6.164 -7.927 -0.253 1.00 0.00 C ATOM 395 C MET A 30 -7.169 -8.717 0.587 1.00 0.00 C ATOM 396 O MET A 30 -7.948 -9.505 0.051 1.00 0.00 O ATOM 397 CB MET A 30 -6.724 -7.723 -1.662 1.00 0.00 C ATOM 398 CG MET A 30 -6.872 -6.235 -1.984 1.00 0.00 C ATOM 399 SD MET A 30 -8.441 -5.935 -2.780 1.00 0.00 S ATOM 400 CE MET A 30 -8.530 -4.158 -2.630 1.00 0.00 C ATOM 0 H MET A 30 -4.657 -8.978 -1.260 1.00 0.00 H new ATOM 0 HA MET A 30 -6.000 -6.961 0.225 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.063 -8.192 -2.391 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.693 -8.215 -1.747 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.801 -5.648 -1.068 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.058 -5.912 -2.633 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.514 -3.815 -2.949 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.365 -3.872 -1.591 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.765 -3.701 -3.258 1.00 0.00 H new ATOM 410 N LYS A 31 -7.120 -8.480 1.890 1.00 0.00 N ATOM 411 CA LYS A 31 -8.016 -9.161 2.809 1.00 0.00 C ATOM 412 C LYS A 31 -9.460 -8.763 2.494 1.00 0.00 C ATOM 413 O LYS A 31 -10.318 -9.625 2.306 1.00 0.00 O ATOM 414 CB LYS A 31 -7.605 -8.889 4.257 1.00 0.00 C ATOM 415 CG LYS A 31 -8.682 -9.371 5.232 1.00 0.00 C ATOM 416 CD LYS A 31 -8.650 -10.893 5.375 1.00 0.00 C ATOM 417 CE LYS A 31 -7.975 -11.307 6.685 1.00 0.00 C ATOM 418 NZ LYS A 31 -8.987 -11.728 7.679 1.00 0.00 N ATOM 0 H LYS A 31 -6.474 -7.826 2.331 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.947 -10.241 2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.663 -9.393 4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.435 -7.821 4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.529 -8.907 6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.664 -9.056 4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.666 -11.286 5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.115 -11.330 4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.277 -12.124 6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.393 -10.474 7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.512 -12.006 8.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.637 -10.938 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.525 -12.536 7.306 1.00 0.00 H new ATOM 432 N SER A 32 -9.684 -7.458 2.447 1.00 0.00 N ATOM 433 CA SER A 32 -11.009 -6.936 2.159 1.00 0.00 C ATOM 434 C SER A 32 -11.077 -6.454 0.708 1.00 0.00 C ATOM 435 O SER A 32 -10.049 -6.174 0.094 1.00 0.00 O ATOM 436 CB SER A 32 -11.372 -5.798 3.114 1.00 0.00 C ATOM 437 OG SER A 32 -12.536 -6.095 3.880 1.00 0.00 O ATOM 0 H SER A 32 -8.970 -6.747 2.604 1.00 0.00 H new ATOM 0 HA SER A 32 -11.732 -7.739 2.303 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.535 -5.607 3.786 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.537 -4.884 2.543 1.00 0.00 H new ATOM 0 HG SER A 32 -12.734 -5.345 4.479 1.00 0.00 H new ATOM 443 N PRO A 33 -12.331 -6.370 0.189 1.00 0.00 N ATOM 444 CA PRO A 33 -12.547 -5.926 -1.178 1.00 0.00 C ATOM 445 C PRO A 33 -12.357 -4.413 -1.300 1.00 0.00 C ATOM 446 O PRO A 33 -13.245 -3.709 -1.778 1.00 0.00 O ATOM 447 CB PRO A 33 -13.957 -6.378 -1.520 1.00 0.00 C ATOM 448 CG PRO A 33 -14.644 -6.642 -0.190 1.00 0.00 C ATOM 449 CD PRO A 33 -13.572 -6.693 0.886 1.00 0.00 C ATOM 0 HA PRO A 33 -11.827 -6.351 -1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.486 -5.612 -2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.940 -7.277 -2.136 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -15.367 -5.856 0.029 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -15.195 -7.582 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.776 -5.978 1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.521 -7.679 1.348 1.00 0.00 H new ATOM 457 N GLN A 34 -11.194 -3.957 -0.859 1.00 0.00 N ATOM 458 CA GLN A 34 -10.877 -2.540 -0.912 1.00 0.00 C ATOM 459 C GLN A 34 -9.678 -2.230 -0.013 1.00 0.00 C ATOM 460 O GLN A 34 -8.832 -1.408 -0.362 1.00 0.00 O ATOM 461 CB GLN A 34 -12.088 -1.692 -0.522 1.00 0.00 C ATOM 462 CG GLN A 34 -12.647 -0.943 -1.733 1.00 0.00 C ATOM 463 CD GLN A 34 -13.919 -0.176 -1.365 1.00 0.00 C ATOM 464 OE1 GLN A 34 -14.038 0.405 -0.299 1.00 0.00 O ATOM 465 NE2 GLN A 34 -14.860 -0.207 -2.304 1.00 0.00 N ATOM 0 H GLN A 34 -10.460 -4.544 -0.463 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.612 -2.285 -1.938 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -12.862 -2.331 -0.096 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.803 -0.979 0.251 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.897 -0.249 -2.114 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.863 -1.650 -2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.695 -0.712 -3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.746 0.275 -2.154 1.00 0.00 H new ATOM 474 N VAL A 35 -9.643 -2.906 1.126 1.00 0.00 N ATOM 475 CA VAL A 35 -8.561 -2.713 2.077 1.00 0.00 C ATOM 476 C VAL A 35 -7.408 -3.656 1.730 1.00 0.00 C ATOM 477 O VAL A 35 -7.566 -4.876 1.767 1.00 0.00 O ATOM 478 CB VAL A 35 -9.080 -2.903 3.504 1.00 0.00 C ATOM 479 CG1 VAL A 35 -7.928 -2.901 4.511 1.00 0.00 C ATOM 480 CG2 VAL A 35 -10.118 -1.836 3.857 1.00 0.00 C ATOM 0 H VAL A 35 -10.346 -3.588 1.412 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.177 -1.695 2.017 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.569 -3.876 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.324 -3.038 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.240 -3.714 4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.398 -1.950 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.470 -1.994 4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.665 -0.848 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.959 -1.905 3.168 1.00 0.00 H new ATOM 490 N ILE A 36 -6.274 -3.056 1.400 1.00 0.00 N ATOM 491 CA ILE A 36 -5.094 -3.828 1.046 1.00 0.00 C ATOM 492 C ILE A 36 -4.234 -4.037 2.294 1.00 0.00 C ATOM 493 O ILE A 36 -3.965 -3.091 3.033 1.00 0.00 O ATOM 494 CB ILE A 36 -4.347 -3.164 -0.112 1.00 0.00 C ATOM 495 CG1 ILE A 36 -5.136 -3.289 -1.417 1.00 0.00 C ATOM 496 CG2 ILE A 36 -2.929 -3.724 -0.243 1.00 0.00 C ATOM 497 CD1 ILE A 36 -4.327 -2.753 -2.600 1.00 0.00 C ATOM 0 H ILE A 36 -6.147 -2.044 1.370 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.379 -4.816 0.686 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.254 -2.100 0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.394 -4.334 -1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.073 -2.739 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.420 -3.235 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.378 -3.539 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.977 -4.797 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.910 -2.854 -3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.092 -1.702 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.402 -3.321 -2.695 1.00 0.00 H new ATOM 509 N LEU A 37 -3.825 -5.282 2.490 1.00 0.00 N ATOM 510 CA LEU A 37 -3.001 -5.627 3.636 1.00 0.00 C ATOM 511 C LEU A 37 -1.613 -6.050 3.151 1.00 0.00 C ATOM 512 O LEU A 37 -1.492 -6.885 2.256 1.00 0.00 O ATOM 513 CB LEU A 37 -3.697 -6.680 4.500 1.00 0.00 C ATOM 514 CG LEU A 37 -4.898 -6.193 5.313 1.00 0.00 C ATOM 515 CD1 LEU A 37 -5.413 -7.293 6.243 1.00 0.00 C ATOM 516 CD2 LEU A 37 -4.561 -4.910 6.075 1.00 0.00 C ATOM 0 H LEU A 37 -4.049 -6.064 1.875 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.864 -4.759 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.027 -7.492 3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.963 -7.099 5.188 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.704 -5.953 4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.267 -6.921 6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.719 -8.156 5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.621 -7.587 6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.432 -4.586 6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.732 -5.099 6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.279 -4.130 5.368 1.00 0.00 H new ATOM 528 N VAL A 38 -0.600 -5.454 3.763 1.00 0.00 N ATOM 529 CA VAL A 38 0.775 -5.758 3.405 1.00 0.00 C ATOM 530 C VAL A 38 1.541 -6.188 4.658 1.00 0.00 C ATOM 531 O VAL A 38 1.458 -5.533 5.695 1.00 0.00 O ATOM 532 CB VAL A 38 1.410 -4.559 2.698 1.00 0.00 C ATOM 533 CG1 VAL A 38 2.873 -4.838 2.349 1.00 0.00 C ATOM 534 CG2 VAL A 38 0.613 -4.173 1.450 1.00 0.00 C ATOM 0 H VAL A 38 -0.704 -4.762 4.505 1.00 0.00 H new ATOM 0 HA VAL A 38 0.811 -6.589 2.701 1.00 0.00 H new ATOM 0 HB VAL A 38 1.386 -3.714 3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.299 -3.969 1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.433 -5.041 3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.931 -5.703 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.086 -3.318 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.590 -5.015 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.406 -3.911 1.736 1.00 0.00 H new ATOM 544 N ASN A 39 2.270 -7.285 4.519 1.00 0.00 N ATOM 545 CA ASN A 39 3.050 -7.810 5.627 1.00 0.00 C ATOM 546 C ASN A 39 4.511 -7.387 5.462 1.00 0.00 C ATOM 547 O ASN A 39 5.139 -7.694 4.450 1.00 0.00 O ATOM 548 CB ASN A 39 3.002 -9.339 5.660 1.00 0.00 C ATOM 549 CG ASN A 39 3.594 -9.878 6.964 1.00 0.00 C ATOM 550 OD1 ASN A 39 3.887 -9.144 7.893 1.00 0.00 O ATOM 551 ND2 ASN A 39 3.754 -11.198 6.979 1.00 0.00 N ATOM 0 H ASN A 39 2.337 -7.825 3.656 1.00 0.00 H new ATOM 0 HA ASN A 39 2.629 -7.416 6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.971 -9.676 5.558 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.555 -9.742 4.811 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.143 -11.655 7.804 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.487 -11.753 6.166 1.00 0.00 H new ATOM 558 N MET A 40 5.010 -6.688 6.471 1.00 0.00 N ATOM 559 CA MET A 40 6.385 -6.220 6.451 1.00 0.00 C ATOM 560 C MET A 40 7.191 -6.835 7.597 1.00 0.00 C ATOM 561 O MET A 40 8.069 -6.184 8.161 1.00 0.00 O ATOM 562 CB MET A 40 6.407 -4.695 6.571 1.00 0.00 C ATOM 563 CG MET A 40 5.516 -4.048 5.509 1.00 0.00 C ATOM 564 SD MET A 40 6.367 -4.005 3.941 1.00 0.00 S ATOM 565 CE MET A 40 7.703 -2.892 4.344 1.00 0.00 C ATOM 0 H MET A 40 4.486 -6.434 7.308 1.00 0.00 H new ATOM 0 HA MET A 40 6.839 -6.526 5.508 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.068 -4.400 7.564 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.429 -4.333 6.463 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.586 -4.609 5.412 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.248 -3.037 5.814 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.566 -1.951 3.811 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.708 -2.703 5.418 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.652 -3.341 4.050 1.00 0.00 H new ATOM 575 N ALA A 41 6.863 -8.081 7.906 1.00 0.00 N ATOM 576 CA ALA A 41 7.546 -8.790 8.975 1.00 0.00 C ATOM 577 C ALA A 41 9.004 -9.025 8.575 1.00 0.00 C ATOM 578 O ALA A 41 9.860 -9.235 9.433 1.00 0.00 O ATOM 579 CB ALA A 41 6.806 -10.095 9.275 1.00 0.00 C ATOM 0 H ALA A 41 6.134 -8.617 7.435 1.00 0.00 H new ATOM 0 HA ALA A 41 7.547 -8.197 9.890 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.318 -10.627 10.077 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.784 -9.872 9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.788 -10.717 8.380 1.00 0.00 H new ATOM 585 N SER A 42 9.241 -8.982 7.272 1.00 0.00 N ATOM 586 CA SER A 42 10.581 -9.188 6.749 1.00 0.00 C ATOM 587 C SER A 42 11.245 -7.839 6.465 1.00 0.00 C ATOM 588 O SER A 42 12.437 -7.780 6.168 1.00 0.00 O ATOM 589 CB SER A 42 10.551 -10.042 5.479 1.00 0.00 C ATOM 590 OG SER A 42 11.779 -10.735 5.273 1.00 0.00 O ATOM 0 H SER A 42 8.528 -8.808 6.563 1.00 0.00 H new ATOM 0 HA SER A 42 11.163 -9.722 7.500 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.735 -10.762 5.545 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.345 -9.405 4.619 1.00 0.00 H new ATOM 0 HG SER A 42 11.719 -11.270 4.454 1.00 0.00 H new ATOM 596 N PHE A 43 10.444 -6.788 6.567 1.00 0.00 N ATOM 597 CA PHE A 43 10.939 -5.444 6.325 1.00 0.00 C ATOM 598 C PHE A 43 10.237 -4.430 7.231 1.00 0.00 C ATOM 599 O PHE A 43 9.505 -3.566 6.752 1.00 0.00 O ATOM 600 CB PHE A 43 10.626 -5.108 4.866 1.00 0.00 C ATOM 601 CG PHE A 43 11.423 -5.932 3.853 1.00 0.00 C ATOM 602 CD1 PHE A 43 10.978 -7.160 3.475 1.00 0.00 C ATOM 603 CD2 PHE A 43 12.577 -5.437 3.331 1.00 0.00 C ATOM 604 CE1 PHE A 43 11.717 -7.925 2.534 1.00 0.00 C ATOM 605 CE2 PHE A 43 13.317 -6.202 2.391 1.00 0.00 C ATOM 606 CZ PHE A 43 12.871 -7.430 2.012 1.00 0.00 C ATOM 0 H PHE A 43 9.456 -6.841 6.814 1.00 0.00 H new ATOM 0 HA PHE A 43 12.008 -5.398 6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.562 -5.263 4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.826 -4.050 4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.062 -7.554 3.891 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.931 -4.462 3.631 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.363 -8.900 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.234 -5.809 1.977 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.433 -8.012 1.297 1.00 0.00 H new ATOM 616 N PRO A 44 10.492 -4.573 8.560 1.00 0.00 N ATOM 617 CA PRO A 44 9.894 -3.680 9.537 1.00 0.00 C ATOM 618 C PRO A 44 10.575 -2.311 9.519 1.00 0.00 C ATOM 619 O PRO A 44 10.132 -1.383 10.194 1.00 0.00 O ATOM 620 CB PRO A 44 10.041 -4.399 10.868 1.00 0.00 C ATOM 621 CG PRO A 44 11.122 -5.446 10.659 1.00 0.00 C ATOM 622 CD PRO A 44 11.354 -5.585 9.164 1.00 0.00 C ATOM 0 HA PRO A 44 8.846 -3.468 9.327 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.319 -3.703 11.659 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.101 -4.863 11.167 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.042 -5.150 11.162 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.817 -6.400 11.088 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.400 -5.418 8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.096 -6.585 8.814 1.00 0.00 H new ATOM 630 N GLU A 45 11.642 -2.227 8.738 1.00 0.00 N ATOM 631 CA GLU A 45 12.390 -0.986 8.622 1.00 0.00 C ATOM 632 C GLU A 45 12.005 -0.252 7.336 1.00 0.00 C ATOM 633 O GLU A 45 12.332 0.921 7.165 1.00 0.00 O ATOM 634 CB GLU A 45 13.896 -1.247 8.675 1.00 0.00 C ATOM 635 CG GLU A 45 14.679 -0.054 8.121 1.00 0.00 C ATOM 636 CD GLU A 45 16.186 -0.303 8.199 1.00 0.00 C ATOM 637 OE1 GLU A 45 16.596 -1.015 9.142 1.00 0.00 O ATOM 638 OE2 GLU A 45 16.895 0.224 7.315 1.00 0.00 O ATOM 0 H GLU A 45 12.007 -2.998 8.179 1.00 0.00 H new ATOM 0 HA GLU A 45 12.135 -0.350 9.470 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.199 -1.439 9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.134 -2.142 8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.390 0.126 7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.426 0.845 8.684 1.00 0.00 H new ATOM 645 N CYS A 46 11.316 -0.974 6.464 1.00 0.00 N ATOM 646 CA CYS A 46 10.883 -0.406 5.199 1.00 0.00 C ATOM 647 C CYS A 46 9.363 -0.239 5.243 1.00 0.00 C ATOM 648 O CYS A 46 8.728 -0.026 4.211 1.00 0.00 O ATOM 649 CB CYS A 46 11.329 -1.263 4.012 1.00 0.00 C ATOM 650 SG CYS A 46 12.726 -0.457 3.148 1.00 0.00 S ATOM 0 H CYS A 46 11.047 -1.947 6.609 1.00 0.00 H new ATOM 0 HA CYS A 46 11.351 0.568 5.056 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.627 -2.252 4.359 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.497 -1.405 3.322 1.00 0.00 H new ATOM 0 HG CYS A 46 13.098 -1.194 2.144 1.00 0.00 H new ATOM 656 N THR A 47 8.822 -0.340 6.448 1.00 0.00 N ATOM 657 CA THR A 47 7.389 -0.203 6.640 1.00 0.00 C ATOM 658 C THR A 47 6.914 1.166 6.149 1.00 0.00 C ATOM 659 O THR A 47 6.117 1.253 5.215 1.00 0.00 O ATOM 660 CB THR A 47 7.083 -0.458 8.117 1.00 0.00 C ATOM 661 OG1 THR A 47 7.535 -1.790 8.340 1.00 0.00 O ATOM 662 CG2 THR A 47 5.581 -0.522 8.401 1.00 0.00 C ATOM 0 H THR A 47 9.351 -0.515 7.302 1.00 0.00 H new ATOM 0 HA THR A 47 6.839 -0.935 6.048 1.00 0.00 H new ATOM 0 HB THR A 47 7.534 0.329 8.722 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.106 -2.151 9.144 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.419 -0.705 9.463 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.117 0.424 8.121 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.135 -1.331 7.822 1.00 0.00 H new ATOM 670 N ALA A 48 7.424 2.202 6.799 1.00 0.00 N ATOM 671 CA ALA A 48 7.062 3.563 6.440 1.00 0.00 C ATOM 672 C ALA A 48 7.262 3.759 4.936 1.00 0.00 C ATOM 673 O ALA A 48 6.377 4.267 4.249 1.00 0.00 O ATOM 674 CB ALA A 48 7.888 4.547 7.271 1.00 0.00 C ATOM 0 H ALA A 48 8.085 2.126 7.572 1.00 0.00 H new ATOM 0 HA ALA A 48 6.011 3.752 6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.617 5.568 7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.688 4.386 8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.948 4.389 7.074 1.00 0.00 H new ATOM 680 N ALA A 49 8.431 3.346 4.467 1.00 0.00 N ATOM 681 CA ALA A 49 8.758 3.470 3.057 1.00 0.00 C ATOM 682 C ALA A 49 7.524 3.128 2.220 1.00 0.00 C ATOM 683 O ALA A 49 7.070 3.942 1.417 1.00 0.00 O ATOM 684 CB ALA A 49 9.952 2.572 2.729 1.00 0.00 C ATOM 0 H ALA A 49 9.163 2.925 5.039 1.00 0.00 H new ATOM 0 HA ALA A 49 9.045 4.494 2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.197 2.665 1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.810 2.875 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.700 1.535 2.953 1.00 0.00 H new ATOM 690 N ALA A 50 7.017 1.924 2.436 1.00 0.00 N ATOM 691 CA ALA A 50 5.844 1.464 1.711 1.00 0.00 C ATOM 692 C ALA A 50 4.738 2.515 1.821 1.00 0.00 C ATOM 693 O ALA A 50 4.321 3.090 0.816 1.00 0.00 O ATOM 694 CB ALA A 50 5.410 0.101 2.253 1.00 0.00 C ATOM 0 H ALA A 50 7.397 1.252 3.103 1.00 0.00 H new ATOM 0 HA ALA A 50 6.073 1.335 0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.530 -0.244 1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.220 -0.617 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.170 0.191 3.312 1.00 0.00 H new ATOM 700 N ILE A 51 4.294 2.734 3.049 1.00 0.00 N ATOM 701 CA ILE A 51 3.244 3.706 3.304 1.00 0.00 C ATOM 702 C ILE A 51 3.499 4.958 2.462 1.00 0.00 C ATOM 703 O ILE A 51 2.563 5.559 1.937 1.00 0.00 O ATOM 704 CB ILE A 51 3.126 3.987 4.803 1.00 0.00 C ATOM 705 CG1 ILE A 51 2.407 2.842 5.520 1.00 0.00 C ATOM 706 CG2 ILE A 51 2.450 5.336 5.057 1.00 0.00 C ATOM 707 CD1 ILE A 51 3.166 2.424 6.782 1.00 0.00 C ATOM 0 H ILE A 51 4.642 2.255 3.879 1.00 0.00 H new ATOM 0 HA ILE A 51 2.275 3.309 3.001 1.00 0.00 H new ATOM 0 HB ILE A 51 4.132 4.048 5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.396 3.152 5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.313 1.989 4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.379 5.511 6.131 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.039 6.130 4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.450 5.329 4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.634 1.609 7.273 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.168 2.092 6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.237 3.273 7.462 1.00 0.00 H new ATOM 719 N LYS A 52 4.771 5.314 2.359 1.00 0.00 N ATOM 720 CA LYS A 52 5.161 6.484 1.590 1.00 0.00 C ATOM 721 C LYS A 52 4.743 6.292 0.131 1.00 0.00 C ATOM 722 O LYS A 52 3.844 6.976 -0.357 1.00 0.00 O ATOM 723 CB LYS A 52 6.653 6.770 1.769 1.00 0.00 C ATOM 724 CG LYS A 52 6.872 8.080 2.529 1.00 0.00 C ATOM 725 CD LYS A 52 8.006 7.940 3.547 1.00 0.00 C ATOM 726 CE LYS A 52 7.652 8.641 4.861 1.00 0.00 C ATOM 727 NZ LYS A 52 8.876 9.140 5.527 1.00 0.00 N ATOM 0 H LYS A 52 5.545 4.813 2.795 1.00 0.00 H new ATOM 0 HA LYS A 52 4.644 7.371 1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.122 5.948 2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.136 6.826 0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.107 8.878 1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.953 8.366 3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.203 6.885 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.922 8.367 3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.973 9.471 4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.128 7.949 5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.619 9.613 6.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.511 8.342 5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.360 9.817 4.903 1.00 0.00 H new ATOM 741 N ALA A 53 5.414 5.357 -0.526 1.00 0.00 N ATOM 742 CA ALA A 53 5.123 5.066 -1.920 1.00 0.00 C ATOM 743 C ALA A 53 3.636 5.305 -2.186 1.00 0.00 C ATOM 744 O ALA A 53 3.277 6.058 -3.091 1.00 0.00 O ATOM 745 CB ALA A 53 5.551 3.633 -2.242 1.00 0.00 C ATOM 0 H ALA A 53 6.158 4.791 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 53 5.686 5.729 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.333 3.414 -3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.621 3.524 -2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.005 2.938 -1.604 1.00 0.00 H new ATOM 751 N ILE A 54 2.811 4.650 -1.383 1.00 0.00 N ATOM 752 CA ILE A 54 1.370 4.782 -1.521 1.00 0.00 C ATOM 753 C ILE A 54 0.999 6.266 -1.550 1.00 0.00 C ATOM 754 O ILE A 54 0.415 6.745 -2.521 1.00 0.00 O ATOM 755 CB ILE A 54 0.652 3.989 -0.427 1.00 0.00 C ATOM 756 CG1 ILE A 54 0.865 2.485 -0.610 1.00 0.00 C ATOM 757 CG2 ILE A 54 -0.832 4.355 -0.369 1.00 0.00 C ATOM 758 CD1 ILE A 54 1.701 1.906 0.534 1.00 0.00 C ATOM 0 H ILE A 54 3.112 4.026 -0.634 1.00 0.00 H new ATOM 0 HA ILE A 54 1.036 4.351 -2.465 1.00 0.00 H new ATOM 0 HB ILE A 54 1.088 4.261 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.100 1.980 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.364 2.298 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.319 3.777 0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.936 5.419 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.300 4.130 -1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.837 0.836 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.674 2.396 0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.187 2.073 1.481 1.00 0.00 H new ATOM 770 N ARG A 55 1.352 6.952 -0.473 1.00 0.00 N ATOM 771 CA ARG A 55 1.062 8.372 -0.363 1.00 0.00 C ATOM 772 C ARG A 55 1.731 9.140 -1.504 1.00 0.00 C ATOM 773 O ARG A 55 1.257 10.202 -1.904 1.00 0.00 O ATOM 774 CB ARG A 55 1.551 8.932 0.975 1.00 0.00 C ATOM 775 CG ARG A 55 0.517 8.698 2.078 1.00 0.00 C ATOM 776 CD ARG A 55 1.117 7.887 3.228 1.00 0.00 C ATOM 777 NE ARG A 55 1.297 8.750 4.417 1.00 0.00 N ATOM 778 CZ ARG A 55 2.381 9.505 4.639 1.00 0.00 C ATOM 779 NH1 ARG A 55 3.389 9.507 3.756 1.00 0.00 N ATOM 780 NH2 ARG A 55 2.458 10.258 5.745 1.00 0.00 N ATOM 0 H ARG A 55 1.836 6.552 0.331 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.019 8.495 -0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.494 8.458 1.249 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.748 10.000 0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.157 9.656 2.453 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.345 8.172 1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.464 7.049 3.472 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.076 7.466 2.925 1.00 0.00 H new ATOM 0 HE ARG A 55 0.549 8.771 5.110 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.331 8.934 2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.214 10.082 3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.691 10.256 6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.283 10.833 5.914 1.00 0.00 H new ATOM 794 N GLU A 56 2.823 8.574 -1.996 1.00 0.00 N ATOM 795 CA GLU A 56 3.562 9.192 -3.084 1.00 0.00 C ATOM 796 C GLU A 56 2.799 9.035 -4.401 1.00 0.00 C ATOM 797 O GLU A 56 2.875 9.899 -5.273 1.00 0.00 O ATOM 798 CB GLU A 56 4.971 8.605 -3.193 1.00 0.00 C ATOM 799 CG GLU A 56 5.809 8.956 -1.962 1.00 0.00 C ATOM 800 CD GLU A 56 7.290 8.662 -2.205 1.00 0.00 C ATOM 801 OE1 GLU A 56 7.586 7.503 -2.570 1.00 0.00 O ATOM 802 OE2 GLU A 56 8.094 9.601 -2.020 1.00 0.00 O ATOM 0 H GLU A 56 3.214 7.694 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 56 3.663 10.256 -2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.910 7.522 -3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.459 8.986 -4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.679 10.010 -1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.457 8.384 -1.103 1.00 0.00 H new ATOM 809 N SER A 57 2.081 7.926 -4.503 1.00 0.00 N ATOM 810 CA SER A 57 1.305 7.645 -5.699 1.00 0.00 C ATOM 811 C SER A 57 0.144 8.635 -5.814 1.00 0.00 C ATOM 812 O SER A 57 -0.367 9.118 -4.804 1.00 0.00 O ATOM 813 CB SER A 57 0.779 6.209 -5.690 1.00 0.00 C ATOM 814 OG SER A 57 -0.286 6.024 -6.618 1.00 0.00 O ATOM 0 H SER A 57 2.020 7.212 -3.777 1.00 0.00 H new ATOM 0 HA SER A 57 1.958 7.758 -6.564 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.592 5.524 -5.930 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.434 5.956 -4.687 1.00 0.00 H new ATOM 0 HG SER A 57 -0.103 5.237 -7.173 1.00 0.00 H new ATOM 820 N GLY A 58 -0.240 8.907 -7.052 1.00 0.00 N ATOM 821 CA GLY A 58 -1.332 9.830 -7.311 1.00 0.00 C ATOM 822 C GLY A 58 -2.432 9.689 -6.257 1.00 0.00 C ATOM 823 O GLY A 58 -3.092 10.666 -5.909 1.00 0.00 O ATOM 0 H GLY A 58 0.185 8.504 -7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.955 10.853 -7.314 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.746 9.640 -8.301 1.00 0.00 H new ATOM 827 N MET A 59 -2.595 8.464 -5.779 1.00 0.00 N ATOM 828 CA MET A 59 -3.603 8.182 -4.772 1.00 0.00 C ATOM 829 C MET A 59 -3.022 8.314 -3.362 1.00 0.00 C ATOM 830 O MET A 59 -2.747 7.313 -2.704 1.00 0.00 O ATOM 831 CB MET A 59 -4.141 6.764 -4.971 1.00 0.00 C ATOM 832 CG MET A 59 -2.998 5.749 -5.045 1.00 0.00 C ATOM 833 SD MET A 59 -2.905 5.054 -6.687 1.00 0.00 S ATOM 834 CE MET A 59 -2.087 3.509 -6.323 1.00 0.00 C ATOM 0 H MET A 59 -2.046 7.656 -6.071 1.00 0.00 H new ATOM 0 HA MET A 59 -4.411 8.906 -4.881 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.809 6.506 -4.149 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.731 6.720 -5.887 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.054 6.232 -4.792 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.157 4.956 -4.314 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.355 3.293 -7.101 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.582 3.583 -5.360 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.824 2.707 -6.285 1.00 0.00 H new ATOM 844 N ASN A 60 -2.853 9.559 -2.941 1.00 0.00 N ATOM 845 CA ASN A 60 -2.311 9.836 -1.622 1.00 0.00 C ATOM 846 C ASN A 60 -2.925 8.868 -0.609 1.00 0.00 C ATOM 847 O ASN A 60 -2.214 8.280 0.204 1.00 0.00 O ATOM 848 CB ASN A 60 -2.644 11.261 -1.177 1.00 0.00 C ATOM 849 CG ASN A 60 -1.454 12.197 -1.396 1.00 0.00 C ATOM 850 OD1 ASN A 60 -0.524 11.899 -2.128 1.00 0.00 O ATOM 851 ND2 ASN A 60 -1.534 13.341 -0.724 1.00 0.00 N ATOM 0 H ASN A 60 -3.082 10.387 -3.490 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.229 9.718 -1.671 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.506 11.627 -1.734 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.922 11.261 -0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.789 14.033 -0.804 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.341 13.527 -0.128 1.00 0.00 H new ATOM 858 N LEU A 61 -4.241 8.732 -0.691 1.00 0.00 N ATOM 859 CA LEU A 61 -4.959 7.846 0.208 1.00 0.00 C ATOM 860 C LEU A 61 -4.481 8.083 1.642 1.00 0.00 C ATOM 861 O LEU A 61 -3.719 9.014 1.899 1.00 0.00 O ATOM 862 CB LEU A 61 -4.826 6.393 -0.252 1.00 0.00 C ATOM 863 CG LEU A 61 -5.759 5.959 -1.385 1.00 0.00 C ATOM 864 CD1 LEU A 61 -5.080 4.930 -2.290 1.00 0.00 C ATOM 865 CD2 LEU A 61 -7.091 5.448 -0.834 1.00 0.00 C ATOM 0 H LEU A 61 -4.828 9.221 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.026 8.067 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.797 6.227 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.002 5.744 0.606 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.979 6.832 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.764 4.638 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.181 5.366 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.810 4.052 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.735 5.146 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.911 4.592 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.578 6.241 -0.266 1.00 0.00 H new ATOM 877 N ASN A 62 -4.947 7.225 2.537 1.00 0.00 N ATOM 878 CA ASN A 62 -4.576 7.330 3.938 1.00 0.00 C ATOM 879 C ASN A 62 -4.328 5.929 4.502 1.00 0.00 C ATOM 880 O ASN A 62 -5.172 5.383 5.210 1.00 0.00 O ATOM 881 CB ASN A 62 -5.694 7.978 4.757 1.00 0.00 C ATOM 882 CG ASN A 62 -7.017 7.236 4.563 1.00 0.00 C ATOM 883 OD1 ASN A 62 -7.375 6.827 3.470 1.00 0.00 O ATOM 884 ND2 ASN A 62 -7.723 7.085 5.680 1.00 0.00 N ATOM 0 H ASN A 62 -5.578 6.454 2.319 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.678 7.945 4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.424 7.976 5.813 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.810 9.020 4.459 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -8.621 6.603 5.654 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.366 7.451 6.562 1.00 0.00 H new ATOM 891 N PRO A 63 -3.136 5.374 4.157 1.00 0.00 N ATOM 892 CA PRO A 63 -2.766 4.047 4.621 1.00 0.00 C ATOM 893 C PRO A 63 -2.366 4.074 6.097 1.00 0.00 C ATOM 894 O PRO A 63 -1.809 5.061 6.575 1.00 0.00 O ATOM 895 CB PRO A 63 -1.633 3.612 3.706 1.00 0.00 C ATOM 896 CG PRO A 63 -1.100 4.885 3.069 1.00 0.00 C ATOM 897 CD PRO A 63 -2.112 5.991 3.320 1.00 0.00 C ATOM 0 HA PRO A 63 -3.593 3.339 4.573 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.852 3.100 4.268 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.989 2.915 2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.132 5.149 3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.948 4.742 1.999 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.652 6.843 3.821 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.534 6.361 2.386 1.00 0.00 H new ATOM 905 N GLU A 64 -2.666 2.978 6.779 1.00 0.00 N ATOM 906 CA GLU A 64 -2.345 2.864 8.191 1.00 0.00 C ATOM 907 C GLU A 64 -1.124 1.963 8.387 1.00 0.00 C ATOM 908 O GLU A 64 -0.584 1.426 7.421 1.00 0.00 O ATOM 909 CB GLU A 64 -3.544 2.343 8.986 1.00 0.00 C ATOM 910 CG GLU A 64 -3.545 0.814 9.038 1.00 0.00 C ATOM 911 CD GLU A 64 -2.975 0.310 10.365 1.00 0.00 C ATOM 912 OE1 GLU A 64 -3.514 0.732 11.411 1.00 0.00 O ATOM 913 OE2 GLU A 64 -2.014 -0.487 10.304 1.00 0.00 O ATOM 0 H GLU A 64 -3.128 2.161 6.379 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.104 3.857 8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.516 2.745 9.999 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.469 2.695 8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.562 0.443 8.911 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.955 0.418 8.211 1.00 0.00 H new ATOM 920 N VAL A 65 -0.725 1.825 9.643 1.00 0.00 N ATOM 921 CA VAL A 65 0.422 0.998 9.977 1.00 0.00 C ATOM 922 C VAL A 65 0.258 0.457 11.399 1.00 0.00 C ATOM 923 O VAL A 65 0.189 1.227 12.355 1.00 0.00 O ATOM 924 CB VAL A 65 1.715 1.793 9.785 1.00 0.00 C ATOM 925 CG1 VAL A 65 2.067 2.580 11.049 1.00 0.00 C ATOM 926 CG2 VAL A 65 2.867 0.876 9.371 1.00 0.00 C ATOM 0 H VAL A 65 -1.176 2.272 10.441 1.00 0.00 H new ATOM 0 HA VAL A 65 0.482 0.140 9.307 1.00 0.00 H new ATOM 0 HB VAL A 65 1.552 2.509 8.979 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.990 3.136 10.886 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.260 3.275 11.281 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.202 1.890 11.882 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.774 1.467 9.241 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.030 0.125 10.144 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.619 0.381 8.432 1.00 0.00 H new ATOM 936 N GLU A 66 0.202 -0.864 11.492 1.00 0.00 N ATOM 937 CA GLU A 66 0.048 -1.516 12.781 1.00 0.00 C ATOM 938 C GLU A 66 1.140 -2.570 12.976 1.00 0.00 C ATOM 939 O GLU A 66 1.080 -3.648 12.387 1.00 0.00 O ATOM 940 CB GLU A 66 -1.344 -2.137 12.919 1.00 0.00 C ATOM 941 CG GLU A 66 -2.209 -1.332 13.890 1.00 0.00 C ATOM 942 CD GLU A 66 -3.151 -2.249 14.674 1.00 0.00 C ATOM 943 OE1 GLU A 66 -2.670 -2.845 15.662 1.00 0.00 O ATOM 944 OE2 GLU A 66 -4.330 -2.332 14.268 1.00 0.00 O ATOM 0 H GLU A 66 0.260 -1.499 10.696 1.00 0.00 H new ATOM 0 HA GLU A 66 0.153 -0.763 13.562 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.827 -2.176 11.943 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.255 -3.164 13.272 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.571 -0.783 14.582 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.790 -0.593 13.338 1.00 0.00 H new ATOM 951 N GLY A 67 2.112 -2.222 13.806 1.00 0.00 N ATOM 952 CA GLY A 67 3.216 -3.125 14.086 1.00 0.00 C ATOM 953 C GLY A 67 4.112 -3.294 12.857 1.00 0.00 C ATOM 954 O GLY A 67 5.102 -2.580 12.703 1.00 0.00 O ATOM 0 H GLY A 67 2.158 -1.327 14.294 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.804 -2.739 14.919 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.827 -4.096 14.393 1.00 0.00 H new ATOM 958 N THR A 68 3.732 -4.242 12.014 1.00 0.00 N ATOM 959 CA THR A 68 4.488 -4.514 10.803 1.00 0.00 C ATOM 960 C THR A 68 3.541 -4.739 9.622 1.00 0.00 C ATOM 961 O THR A 68 3.967 -5.183 8.557 1.00 0.00 O ATOM 962 CB THR A 68 5.410 -5.703 11.079 1.00 0.00 C ATOM 963 OG1 THR A 68 4.688 -6.491 12.022 1.00 0.00 O ATOM 964 CG2 THR A 68 6.681 -5.298 11.827 1.00 0.00 C ATOM 0 H THR A 68 2.910 -4.832 12.145 1.00 0.00 H new ATOM 0 HA THR A 68 5.108 -3.662 10.523 1.00 0.00 H new ATOM 0 HB THR A 68 5.680 -6.178 10.136 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.213 -7.285 12.255 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.299 -6.179 11.997 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.238 -4.573 11.233 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.413 -4.852 12.785 1.00 0.00 H new ATOM 972 N LEU A 69 2.275 -4.423 9.851 1.00 0.00 N ATOM 973 CA LEU A 69 1.265 -4.585 8.820 1.00 0.00 C ATOM 974 C LEU A 69 0.843 -3.208 8.304 1.00 0.00 C ATOM 975 O LEU A 69 0.937 -2.216 9.025 1.00 0.00 O ATOM 976 CB LEU A 69 0.100 -5.431 9.339 1.00 0.00 C ATOM 977 CG LEU A 69 0.019 -6.862 8.803 1.00 0.00 C ATOM 978 CD1 LEU A 69 -0.509 -6.880 7.367 1.00 0.00 C ATOM 979 CD2 LEU A 69 1.369 -7.571 8.926 1.00 0.00 C ATOM 0 H LEU A 69 1.926 -4.055 10.736 1.00 0.00 H new ATOM 0 HA LEU A 69 1.673 -5.133 7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.165 -5.475 10.426 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.831 -4.920 9.095 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.692 -7.416 9.415 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.557 -7.909 7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.506 -6.440 7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.159 -6.304 6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.284 -8.586 8.538 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.120 -7.026 8.354 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.667 -7.607 9.974 1.00 0.00 H new ATOM 991 N ILE A 70 0.387 -3.192 7.060 1.00 0.00 N ATOM 992 CA ILE A 70 -0.049 -1.953 6.439 1.00 0.00 C ATOM 993 C ILE A 70 -1.462 -2.137 5.882 1.00 0.00 C ATOM 994 O ILE A 70 -1.755 -3.146 5.243 1.00 0.00 O ATOM 995 CB ILE A 70 0.968 -1.490 5.394 1.00 0.00 C ATOM 996 CG1 ILE A 70 2.395 -1.593 5.936 1.00 0.00 C ATOM 997 CG2 ILE A 70 0.643 -0.078 4.901 1.00 0.00 C ATOM 998 CD1 ILE A 70 3.401 -1.003 4.945 1.00 0.00 C ATOM 0 H ILE A 70 0.310 -4.017 6.466 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.098 -1.153 7.178 1.00 0.00 H new ATOM 0 HB ILE A 70 0.901 -2.155 4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.465 -1.067 6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.640 -2.637 6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.381 0.227 4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.350 -0.069 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.666 0.615 5.742 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.408 -1.089 5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.345 -1.547 4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.168 0.048 4.772 1.00 0.00 H new ATOM 1010 N ARG A 71 -2.301 -1.146 6.145 1.00 0.00 N ATOM 1011 CA ARG A 71 -3.677 -1.186 5.678 1.00 0.00 C ATOM 1012 C ARG A 71 -3.923 -0.073 4.658 1.00 0.00 C ATOM 1013 O ARG A 71 -3.875 1.108 4.998 1.00 0.00 O ATOM 1014 CB ARG A 71 -4.658 -1.028 6.841 1.00 0.00 C ATOM 1015 CG ARG A 71 -5.788 -2.055 6.748 1.00 0.00 C ATOM 1016 CD ARG A 71 -7.085 -1.500 7.341 1.00 0.00 C ATOM 1017 NE ARG A 71 -7.339 -2.111 8.665 1.00 0.00 N ATOM 1018 CZ ARG A 71 -8.296 -1.705 9.509 1.00 0.00 C ATOM 1019 NH1 ARG A 71 -9.097 -0.684 9.172 1.00 0.00 N ATOM 1020 NH2 ARG A 71 -8.454 -2.319 10.689 1.00 0.00 N ATOM 0 H ARG A 71 -2.055 -0.310 6.676 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.840 -2.156 5.209 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.129 -1.148 7.786 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.075 -0.021 6.835 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.949 -2.330 5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.502 -2.964 7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.015 -0.417 7.439 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.919 -1.707 6.670 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.748 -2.891 8.953 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.977 -0.217 8.273 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.826 -0.374 9.814 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.845 -3.096 10.945 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.183 -2.009 11.331 1.00 0.00 H new ATOM 1034 N VAL A 72 -4.183 -0.489 3.427 1.00 0.00 N ATOM 1035 CA VAL A 72 -4.437 0.458 2.354 1.00 0.00 C ATOM 1036 C VAL A 72 -5.896 0.338 1.909 1.00 0.00 C ATOM 1037 O VAL A 72 -6.240 -0.549 1.130 1.00 0.00 O ATOM 1038 CB VAL A 72 -3.443 0.235 1.213 1.00 0.00 C ATOM 1039 CG1 VAL A 72 -4.077 0.569 -0.139 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -2.164 1.045 1.433 1.00 0.00 C ATOM 0 H VAL A 72 -4.223 -1.469 3.149 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.287 1.480 2.702 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.173 -0.821 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.349 0.402 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.945 -0.070 -0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.389 1.613 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.475 0.868 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.409 2.106 1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.696 0.739 2.369 1.00 0.00 H new ATOM 1050 N PRO A 73 -6.736 1.268 2.438 1.00 0.00 N ATOM 1051 CA PRO A 73 -8.150 1.275 2.103 1.00 0.00 C ATOM 1052 C PRO A 73 -8.377 1.821 0.692 1.00 0.00 C ATOM 1053 O PRO A 73 -7.767 2.816 0.302 1.00 0.00 O ATOM 1054 CB PRO A 73 -8.805 2.123 3.181 1.00 0.00 C ATOM 1055 CG PRO A 73 -7.686 2.938 3.807 1.00 0.00 C ATOM 1056 CD PRO A 73 -6.364 2.333 3.364 1.00 0.00 C ATOM 0 HA PRO A 73 -8.583 0.275 2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.570 2.772 2.756 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.296 1.497 3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.752 3.980 3.495 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.766 2.925 4.894 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.731 3.076 2.879 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.803 1.942 4.213 1.00 0.00 H new ATOM 1064 N ILE A 74 -9.256 1.147 -0.035 1.00 0.00 N ATOM 1065 CA ILE A 74 -9.570 1.553 -1.395 1.00 0.00 C ATOM 1066 C ILE A 74 -10.974 2.161 -1.429 1.00 0.00 C ATOM 1067 O ILE A 74 -11.875 1.690 -0.737 1.00 0.00 O ATOM 1068 CB ILE A 74 -9.385 0.380 -2.360 1.00 0.00 C ATOM 1069 CG1 ILE A 74 -7.918 -0.050 -2.424 1.00 0.00 C ATOM 1070 CG2 ILE A 74 -9.945 0.715 -3.744 1.00 0.00 C ATOM 1071 CD1 ILE A 74 -7.108 0.894 -3.315 1.00 0.00 C ATOM 0 H ILE A 74 -9.761 0.323 0.292 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.879 2.325 -1.732 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.953 -0.469 -1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.494 -0.061 -1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.850 -1.067 -2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.801 -0.135 -4.410 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.009 0.935 -3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.424 1.584 -4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.069 0.566 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.519 0.884 -4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.158 1.906 -2.913 1.00 0.00 H new ATOM 1083 N PRO A 75 -11.119 3.226 -2.262 1.00 0.00 N ATOM 1084 CA PRO A 75 -12.397 3.903 -2.395 1.00 0.00 C ATOM 1085 C PRO A 75 -13.373 3.073 -3.231 1.00 0.00 C ATOM 1086 O PRO A 75 -12.965 2.149 -3.933 1.00 0.00 O ATOM 1087 CB PRO A 75 -12.067 5.246 -3.028 1.00 0.00 C ATOM 1088 CG PRO A 75 -10.689 5.086 -3.650 1.00 0.00 C ATOM 1089 CD PRO A 75 -10.073 3.811 -3.097 1.00 0.00 C ATOM 0 HA PRO A 75 -12.901 4.041 -1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.807 5.515 -3.782 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.069 6.041 -2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.764 5.034 -4.736 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.062 5.946 -3.415 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.780 3.133 -3.898 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.176 4.024 -2.516 1.00 0.00 H new ATOM 1097 N LYS A 76 -14.645 3.432 -3.127 1.00 0.00 N ATOM 1098 CA LYS A 76 -15.682 2.731 -3.864 1.00 0.00 C ATOM 1099 C LYS A 76 -15.435 2.895 -5.365 1.00 0.00 C ATOM 1100 O LYS A 76 -15.146 1.922 -6.060 1.00 0.00 O ATOM 1101 CB LYS A 76 -17.068 3.199 -3.415 1.00 0.00 C ATOM 1102 CG LYS A 76 -17.723 2.167 -2.494 1.00 0.00 C ATOM 1103 CD LYS A 76 -19.243 2.341 -2.469 1.00 0.00 C ATOM 1104 CE LYS A 76 -19.776 2.302 -1.036 1.00 0.00 C ATOM 1105 NZ LYS A 76 -21.112 2.935 -0.963 1.00 0.00 N ATOM 0 H LYS A 76 -14.980 4.199 -2.544 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.646 1.663 -3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.983 4.153 -2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.700 3.366 -4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.474 1.162 -2.833 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.325 2.270 -1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.512 3.289 -2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -19.713 1.552 -3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.837 1.269 -0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.085 2.819 -0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.460 2.900 0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.044 3.926 -1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.773 2.424 -1.583 1.00 0.00 H new ATOM 1119 N VAL A 77 -15.558 4.133 -5.821 1.00 0.00 N ATOM 1120 CA VAL A 77 -15.351 4.437 -7.227 1.00 0.00 C ATOM 1121 C VAL A 77 -16.081 3.399 -8.081 1.00 0.00 C ATOM 1122 O VAL A 77 -16.855 2.597 -7.562 1.00 0.00 O ATOM 1123 CB VAL A 77 -13.853 4.515 -7.530 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -13.267 3.121 -7.761 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -13.584 5.428 -8.728 1.00 0.00 C ATOM 0 H VAL A 77 -15.798 4.937 -5.242 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.770 5.413 -7.473 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.357 4.947 -6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.201 3.205 -7.974 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.411 2.513 -6.868 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -13.770 2.650 -8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.512 5.466 -8.923 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.099 5.037 -9.606 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -13.949 6.432 -8.510 1.00 0.00 H new ATOM 1135 N THR A 78 -15.809 3.449 -9.377 1.00 0.00 N ATOM 1136 CA THR A 78 -16.431 2.523 -10.308 1.00 0.00 C ATOM 1137 C THR A 78 -15.395 1.988 -11.299 1.00 0.00 C ATOM 1138 O THR A 78 -14.400 2.654 -11.583 1.00 0.00 O ATOM 1139 CB THR A 78 -17.600 3.244 -10.982 1.00 0.00 C ATOM 1140 OG1 THR A 78 -17.113 4.564 -11.204 1.00 0.00 O ATOM 1141 CG2 THR A 78 -18.789 3.440 -10.038 1.00 0.00 C ATOM 0 H THR A 78 -15.166 4.116 -9.804 1.00 0.00 H new ATOM 0 HA THR A 78 -16.824 1.647 -9.792 1.00 0.00 H new ATOM 0 HB THR A 78 -17.920 2.678 -11.857 1.00 0.00 H new ATOM 0 HG1 THR A 78 -17.808 5.100 -11.640 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.591 3.956 -10.565 1.00 0.00 H new ATOM 0 HG22 THR A 78 -19.146 2.469 -9.696 1.00 0.00 H new ATOM 0 HG23 THR A 78 -18.478 4.035 -9.179 1.00 0.00 H new ATOM 1149 N SER A 79 -15.664 0.791 -11.798 1.00 0.00 N ATOM 1150 CA SER A 79 -14.768 0.159 -12.752 1.00 0.00 C ATOM 1151 C SER A 79 -15.191 0.510 -14.179 1.00 0.00 C ATOM 1152 O SER A 79 -14.363 0.916 -14.993 1.00 0.00 O ATOM 1153 CB SER A 79 -14.745 -1.360 -12.563 1.00 0.00 C ATOM 1154 OG SER A 79 -13.718 -1.978 -13.333 1.00 0.00 O ATOM 0 H SER A 79 -16.490 0.242 -11.560 1.00 0.00 H new ATOM 0 HA SER A 79 -13.760 0.535 -12.576 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.597 -1.592 -11.508 1.00 0.00 H new ATOM 0 HB3 SER A 79 -15.712 -1.775 -12.848 1.00 0.00 H new ATOM 0 HG SER A 79 -13.735 -2.946 -13.184 1.00 0.00 H new ATOM 1160 N GLY A 80 -16.479 0.341 -14.440 1.00 0.00 N ATOM 1161 CA GLY A 80 -17.021 0.635 -15.755 1.00 0.00 C ATOM 1162 C GLY A 80 -16.958 -0.596 -16.662 1.00 0.00 C ATOM 1163 O GLY A 80 -16.139 -1.488 -16.448 1.00 0.00 O ATOM 0 H GLY A 80 -17.163 0.004 -13.762 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.054 0.969 -15.660 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.462 1.454 -16.208 1.00 0.00 H new ATOM 1167 N PRO A 81 -17.858 -0.605 -17.682 1.00 0.00 N ATOM 1168 CA PRO A 81 -17.913 -1.711 -18.622 1.00 0.00 C ATOM 1169 C PRO A 81 -16.743 -1.652 -19.607 1.00 0.00 C ATOM 1170 O PRO A 81 -16.068 -2.655 -19.836 1.00 0.00 O ATOM 1171 CB PRO A 81 -19.267 -1.585 -19.300 1.00 0.00 C ATOM 1172 CG PRO A 81 -19.725 -0.157 -19.054 1.00 0.00 C ATOM 1173 CD PRO A 81 -18.843 0.435 -17.967 1.00 0.00 C ATOM 0 HA PRO A 81 -17.815 -2.681 -18.135 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -19.190 -1.792 -20.367 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -19.979 -2.300 -18.887 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -19.650 0.431 -19.969 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -20.771 -0.139 -18.749 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -18.363 1.354 -18.303 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.423 0.685 -17.079 1.00 0.00 H new ATOM 1181 N SER A 82 -16.540 -0.467 -20.164 1.00 0.00 N ATOM 1182 CA SER A 82 -15.464 -0.264 -21.120 1.00 0.00 C ATOM 1183 C SER A 82 -14.857 1.128 -20.936 1.00 0.00 C ATOM 1184 O SER A 82 -15.336 2.100 -21.520 1.00 0.00 O ATOM 1185 CB SER A 82 -15.962 -0.441 -22.556 1.00 0.00 C ATOM 1186 OG SER A 82 -15.363 -1.565 -23.194 1.00 0.00 O ATOM 0 H SER A 82 -17.102 0.362 -19.972 1.00 0.00 H new ATOM 0 HA SER A 82 -14.696 -1.015 -20.936 1.00 0.00 H new ATOM 0 HB2 SER A 82 -17.045 -0.561 -22.552 1.00 0.00 H new ATOM 0 HB3 SER A 82 -15.744 0.460 -23.129 1.00 0.00 H new ATOM 0 HG SER A 82 -15.708 -1.645 -24.108 1.00 0.00 H new ATOM 1192 N SER A 83 -13.813 1.181 -20.123 1.00 0.00 N ATOM 1193 CA SER A 83 -13.136 2.438 -19.855 1.00 0.00 C ATOM 1194 C SER A 83 -11.699 2.380 -20.378 1.00 0.00 C ATOM 1195 O SER A 83 -11.303 3.198 -21.207 1.00 0.00 O ATOM 1196 CB SER A 83 -13.144 2.761 -18.359 1.00 0.00 C ATOM 1197 OG SER A 83 -12.322 3.883 -18.051 1.00 0.00 O ATOM 0 H SER A 83 -13.419 0.373 -19.641 1.00 0.00 H new ATOM 0 HA SER A 83 -13.673 3.233 -20.373 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.166 2.961 -18.037 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.797 1.893 -17.799 1.00 0.00 H new ATOM 0 HG SER A 83 -12.355 4.058 -17.087 1.00 0.00 H new ATOM 1203 N GLY A 84 -10.958 1.406 -19.871 1.00 0.00 N ATOM 1204 CA GLY A 84 -9.573 1.231 -20.276 1.00 0.00 C ATOM 1205 C GLY A 84 -8.712 0.767 -19.099 1.00 0.00 C ATOM 1206 O GLY A 84 -8.753 1.362 -18.023 1.00 0.00 O ATOM 0 H GLY A 84 -11.290 0.730 -19.183 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.516 0.501 -21.083 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.183 2.171 -20.668 1.00 0.00 H new TER 1210 GLY A 84