USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 919 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 93 ASN :FLIP amide:sc= 0.765 F(o=-2.4!,f=1.8) USER MOD Set 1.2: A 95 THR OG1 : rot 93:sc= 1.07 USER MOD Set 2.1: A 51 THR OG1 : rot 166:sc= 0.0133 USER MOD Set 2.2: A 97 MET CE :methyl -157:sc= -0.176 (180deg=-1.24) USER MOD Single : A 2 SER OG : rot -50:sc= 0.197 USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.0639 F(o=-0.7,f=-0.064) USER MOD Single : A 4 SER OG : rot 32:sc= 0.0933 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 177:sc= 0.065 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0389 USER MOD Single : A 32 THR OG1 : rot 82:sc= 0.07 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.54 F(o=-3.9,f=-1.5) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 23:sc= 1.18 USER MOD Single : A 44 THR OG1 : rot 174:sc= 0.125 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0273) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 54 SER OG : rot -29:sc= 0.242 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -117:sc= -2.82! (180deg=-9.05!) USER MOD Single : A 59 MET CE :methyl -177:sc= 0 (180deg=-0.0111) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -158:sc= -1.25 (180deg=-2.04!) USER MOD Single : A 73 LYS NZ :NH3+ -154:sc= -0.0974 (180deg=-0.578) USER MOD Single : A 75 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.7!) USER MOD Single : A 78 ASN : amide:sc= 0.249 K(o=0.25,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0273) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HE2:sc= 0.0903 K(o=0.09,f=-0.48) USER MOD Single : A 88 MET CE :methyl -163:sc= -0.115 (180deg=-0.516) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0389 USER MOD Single : A 92 ASN : amide:sc= -2.35! C(o=-2.3!,f=-8.6!) USER MOD Single : A 99 ASN : amide:sc= -1.46 K(o=-1.5,f=-3!) USER MOD Single : A 101 LYS NZ :NH3+ 160:sc= -0.0831 (180deg=-0.494) USER MOD Single : A 102 MET CE :methyl -162:sc= -0.0099 (180deg=-0.181) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -4.3! C(o=-4.3!,f=-11!) USER MOD Single : A 106 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.14) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 90:sc= -0.0205 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -12.836 12.626 5.694 1.00 0.00 N ATOM 2 CA PRO A 1 -11.604 12.520 4.888 1.00 0.00 C ATOM 3 C PRO A 1 -11.513 11.189 4.154 1.00 0.00 C ATOM 4 O PRO A 1 -11.140 11.132 2.982 1.00 0.00 O ATOM 5 CB PRO A 1 -10.439 12.682 5.857 1.00 0.00 C ATOM 6 CG PRO A 1 -11.041 12.446 7.209 1.00 0.00 C ATOM 7 CD PRO A 1 -12.510 12.811 7.116 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.400 11.784 5.576 1.00 0.00 H new ATOM 0 H3 PRO A 1 -13.398 13.410 5.364 1.00 0.00 H new ATOM 0 HA PRO A 1 -11.592 13.289 4.115 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -9.644 11.966 5.646 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -9.999 13.677 5.786 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -10.922 11.404 7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -10.541 13.053 7.964 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -13.121 12.170 7.752 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -12.687 13.838 7.435 1.00 0.00 H new ATOM 17 N SER A 2 -11.859 10.123 4.857 1.00 0.00 N ATOM 18 CA SER A 2 -11.824 8.780 4.289 1.00 0.00 C ATOM 19 C SER A 2 -10.423 8.430 3.797 1.00 0.00 C ATOM 20 O SER A 2 -10.260 7.624 2.880 1.00 0.00 O ATOM 21 CB SER A 2 -12.824 8.667 3.138 1.00 0.00 C ATOM 22 OG SER A 2 -12.832 7.357 2.597 1.00 0.00 O ATOM 0 H SER A 2 -12.169 10.160 5.828 1.00 0.00 H new ATOM 0 HA SER A 2 -12.099 8.074 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.822 8.924 3.493 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.569 9.384 2.358 1.00 0.00 H new ATOM 0 HG SER A 2 -11.913 7.078 2.403 1.00 0.00 H new ATOM 28 N HIS A 3 -9.412 9.038 4.411 1.00 0.00 N ATOM 29 CA HIS A 3 -8.026 8.788 4.033 1.00 0.00 C ATOM 30 C HIS A 3 -7.364 7.797 4.987 1.00 0.00 C ATOM 31 O HIS A 3 -6.365 7.166 4.645 1.00 0.00 O ATOM 32 CB HIS A 3 -7.237 10.098 4.013 1.00 0.00 C ATOM 33 CG HIS A 3 -7.369 10.854 2.728 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.727 10.709 1.544 1.00 0.00 N flip ATOM 35 CD2 HIS A 3 -8.246 11.906 2.559 1.00 0.00 C flip ATOM 36 CE1 HIS A 3 -7.224 11.664 0.691 1.00 0.00 C flip ATOM 37 NE2 HIS A 3 -8.138 12.373 1.327 1.00 0.00 N flip ATOM 0 H HIS A 3 -9.527 9.707 5.172 1.00 0.00 H new ATOM 0 HA HIS A 3 -8.025 8.353 3.033 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.576 10.730 4.834 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.184 9.882 4.192 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.916 12.288 3.315 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.917 11.811 -0.334 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.671 13.149 0.934 1.00 0.00 H new ATOM 46 N SER A 4 -7.927 7.668 6.183 1.00 0.00 N ATOM 47 CA SER A 4 -7.388 6.756 7.185 1.00 0.00 C ATOM 48 C SER A 4 -8.383 5.645 7.502 1.00 0.00 C ATOM 49 O SER A 4 -9.545 5.906 7.815 1.00 0.00 O ATOM 50 CB SER A 4 -7.032 7.518 8.463 1.00 0.00 C ATOM 51 OG SER A 4 -8.166 8.186 8.990 1.00 0.00 O ATOM 0 H SER A 4 -8.755 8.183 6.482 1.00 0.00 H new ATOM 0 HA SER A 4 -6.484 6.304 6.777 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.636 6.825 9.205 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.245 8.242 8.252 1.00 0.00 H new ATOM 0 HG SER A 4 -8.974 7.672 8.782 1.00 0.00 H new ATOM 57 N GLY A 5 -7.915 4.406 7.421 1.00 0.00 N ATOM 58 CA GLY A 5 -8.765 3.267 7.703 1.00 0.00 C ATOM 59 C GLY A 5 -7.968 2.080 8.201 1.00 0.00 C ATOM 60 O GLY A 5 -6.807 1.906 7.828 1.00 0.00 O ATOM 0 H GLY A 5 -6.957 4.170 7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.509 3.545 8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.309 2.987 6.801 1.00 0.00 H new ATOM 64 N ALA A 6 -8.580 1.264 9.051 1.00 0.00 N ATOM 65 CA ALA A 6 -7.900 0.098 9.595 1.00 0.00 C ATOM 66 C ALA A 6 -7.534 -0.893 8.499 1.00 0.00 C ATOM 67 O ALA A 6 -8.330 -1.166 7.600 1.00 0.00 O ATOM 68 CB ALA A 6 -8.747 -0.585 10.649 1.00 0.00 C ATOM 0 H ALA A 6 -9.539 1.388 9.376 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.980 0.450 10.061 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.214 -1.453 11.038 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.948 0.112 11.462 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.690 -0.907 10.206 1.00 0.00 H new ATOM 74 N ALA A 7 -6.327 -1.426 8.589 1.00 0.00 N ATOM 75 CA ALA A 7 -5.841 -2.393 7.613 1.00 0.00 C ATOM 76 C ALA A 7 -4.774 -3.310 8.206 1.00 0.00 C ATOM 77 O ALA A 7 -3.995 -2.895 9.064 1.00 0.00 O ATOM 78 CB ALA A 7 -5.294 -1.670 6.392 1.00 0.00 C ATOM 0 H ALA A 7 -5.662 -1.206 9.330 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.683 -3.018 7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.933 -2.400 5.668 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.084 -1.071 5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.472 -1.020 6.692 1.00 0.00 H new ATOM 84 N ILE A 8 -4.741 -4.559 7.742 1.00 0.00 N ATOM 85 CA ILE A 8 -3.768 -5.531 8.224 1.00 0.00 C ATOM 86 C ILE A 8 -2.562 -5.613 7.302 1.00 0.00 C ATOM 87 O ILE A 8 -2.691 -5.539 6.080 1.00 0.00 O ATOM 88 CB ILE A 8 -4.375 -6.940 8.317 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.679 -6.915 9.095 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.399 -7.922 8.954 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.489 -8.163 8.881 1.00 0.00 C ATOM 0 H ILE A 8 -5.379 -4.919 7.032 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.464 -5.188 9.213 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.581 -7.277 7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.465 -6.800 10.158 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.265 -6.047 8.792 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.858 -8.909 9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.491 -7.975 8.353 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.149 -7.585 9.960 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.412 -8.101 9.457 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.728 -8.265 7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.915 -9.030 9.209 1.00 0.00 H new ATOM 103 N PHE A 9 -1.398 -5.796 7.900 1.00 0.00 N ATOM 104 CA PHE A 9 -0.164 -5.924 7.144 1.00 0.00 C ATOM 105 C PHE A 9 0.764 -6.923 7.825 1.00 0.00 C ATOM 106 O PHE A 9 1.348 -6.632 8.866 1.00 0.00 O ATOM 107 CB PHE A 9 0.523 -4.568 6.997 1.00 0.00 C ATOM 108 CG PHE A 9 1.801 -4.627 6.212 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.812 -5.125 4.919 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.989 -4.186 6.767 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.987 -5.181 4.195 1.00 0.00 C ATOM 112 CE2 PHE A 9 4.169 -4.239 6.047 1.00 0.00 C ATOM 113 CZ PHE A 9 4.167 -4.737 4.759 1.00 0.00 C ATOM 0 H PHE A 9 -1.281 -5.860 8.911 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.404 -6.291 6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.162 -3.874 6.510 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.733 -4.166 7.988 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.892 -5.473 4.473 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.995 -3.796 7.774 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.983 -5.572 3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.090 -3.892 6.491 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.086 -4.779 4.194 1.00 0.00 H new ATOM 123 N GLU A 10 0.881 -8.106 7.229 1.00 0.00 N ATOM 124 CA GLU A 10 1.725 -9.170 7.764 1.00 0.00 C ATOM 125 C GLU A 10 1.047 -9.880 8.937 1.00 0.00 C ATOM 126 O GLU A 10 1.656 -10.077 9.990 1.00 0.00 O ATOM 127 CB GLU A 10 3.085 -8.620 8.193 1.00 0.00 C ATOM 128 CG GLU A 10 3.764 -7.773 7.129 1.00 0.00 C ATOM 129 CD GLU A 10 5.155 -7.324 7.537 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.502 -7.474 8.726 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.894 -6.820 6.666 1.00 0.00 O ATOM 0 H GLU A 10 0.396 -8.353 6.366 1.00 0.00 H new ATOM 0 HA GLU A 10 1.879 -9.899 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.957 -8.021 9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.738 -9.453 8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.828 -8.344 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.150 -6.897 6.922 1.00 0.00 H new ATOM 138 N LYS A 11 -0.207 -10.287 8.738 1.00 0.00 N ATOM 139 CA LYS A 11 -0.962 -11.000 9.755 1.00 0.00 C ATOM 140 C LYS A 11 -1.182 -10.171 11.019 1.00 0.00 C ATOM 141 O LYS A 11 -1.620 -10.698 12.041 1.00 0.00 O ATOM 142 CB LYS A 11 -0.245 -12.298 10.083 1.00 0.00 C ATOM 143 CG LYS A 11 -0.589 -13.422 9.123 1.00 0.00 C ATOM 144 CD LYS A 11 -1.745 -14.263 9.637 1.00 0.00 C ATOM 145 CE LYS A 11 -3.056 -13.873 8.973 1.00 0.00 C ATOM 146 NZ LYS A 11 -3.398 -14.779 7.842 1.00 0.00 N ATOM 0 H LYS A 11 -0.721 -10.130 7.871 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.953 -11.209 9.353 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.831 -12.127 10.064 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.501 -12.602 11.098 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.847 -13.004 8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.285 -14.056 8.976 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.541 -15.317 9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.833 -14.142 10.717 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.858 -13.896 9.711 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.987 -12.848 8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.298 -14.479 7.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.646 -14.738 7.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.489 -15.754 8.193 1.00 0.00 H new ATOM 160 N VAL A 12 -0.911 -8.871 10.947 1.00 0.00 N ATOM 161 CA VAL A 12 -1.119 -7.993 12.075 1.00 0.00 C ATOM 162 C VAL A 12 -2.044 -6.862 11.657 1.00 0.00 C ATOM 163 O VAL A 12 -1.932 -6.347 10.547 1.00 0.00 O ATOM 164 CB VAL A 12 0.207 -7.425 12.619 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.047 -6.446 13.756 1.00 0.00 C ATOM 166 CG2 VAL A 12 1.121 -8.553 13.074 1.00 0.00 C ATOM 0 H VAL A 12 -0.546 -8.409 10.114 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.572 -8.571 12.880 1.00 0.00 H new ATOM 0 HB VAL A 12 0.702 -6.883 11.813 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.904 -6.059 14.123 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.660 -5.620 13.395 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.568 -6.957 14.566 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.053 -8.135 13.455 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.630 -9.124 13.862 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.336 -9.210 12.231 1.00 0.00 H new ATOM 176 N SER A 13 -2.978 -6.501 12.524 1.00 0.00 N ATOM 177 CA SER A 13 -3.933 -5.452 12.199 1.00 0.00 C ATOM 178 C SER A 13 -3.575 -4.133 12.864 1.00 0.00 C ATOM 179 O SER A 13 -3.088 -4.093 13.992 1.00 0.00 O ATOM 180 CB SER A 13 -5.347 -5.875 12.605 1.00 0.00 C ATOM 181 OG SER A 13 -6.304 -4.917 12.187 1.00 0.00 O ATOM 0 H SER A 13 -3.095 -6.914 13.449 1.00 0.00 H new ATOM 0 HA SER A 13 -3.896 -5.301 11.120 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.581 -6.844 12.164 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.397 -5.996 13.687 1.00 0.00 H new ATOM 0 HG SER A 13 -7.200 -5.210 12.456 1.00 0.00 H new ATOM 187 N GLY A 14 -3.836 -3.055 12.138 1.00 0.00 N ATOM 188 CA GLY A 14 -3.561 -1.725 12.630 1.00 0.00 C ATOM 189 C GLY A 14 -4.258 -0.678 11.789 1.00 0.00 C ATOM 190 O GLY A 14 -4.952 -1.016 10.830 1.00 0.00 O ATOM 0 H GLY A 14 -4.240 -3.083 11.202 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.890 -1.642 13.666 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.486 -1.546 12.622 1.00 0.00 H new ATOM 194 N ILE A 15 -4.085 0.589 12.135 1.00 0.00 N ATOM 195 CA ILE A 15 -4.719 1.659 11.382 1.00 0.00 C ATOM 196 C ILE A 15 -3.801 2.179 10.286 1.00 0.00 C ATOM 197 O ILE A 15 -2.639 2.509 10.527 1.00 0.00 O ATOM 198 CB ILE A 15 -5.171 2.808 12.305 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.412 2.370 13.080 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.464 4.072 11.505 1.00 0.00 C ATOM 201 CD1 ILE A 15 -6.144 1.254 14.064 1.00 0.00 C ATOM 0 H ILE A 15 -3.517 0.899 12.924 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.608 1.241 10.910 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.365 3.038 13.002 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.817 3.228 13.617 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.176 2.046 12.374 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.781 4.866 12.182 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.564 4.384 10.975 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.257 3.871 10.785 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.069 0.993 14.579 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.767 0.381 13.531 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.403 1.582 14.793 1.00 0.00 H new ATOM 213 N ILE A 16 -4.338 2.233 9.074 1.00 0.00 N ATOM 214 CA ILE A 16 -3.595 2.694 7.916 1.00 0.00 C ATOM 215 C ILE A 16 -3.979 4.130 7.565 1.00 0.00 C ATOM 216 O ILE A 16 -5.132 4.413 7.240 1.00 0.00 O ATOM 217 CB ILE A 16 -3.859 1.755 6.708 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.677 0.802 6.512 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.133 2.548 5.431 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.757 -0.028 5.246 1.00 0.00 C ATOM 0 H ILE A 16 -5.299 1.958 8.870 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.532 2.674 8.155 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.752 1.168 6.925 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.755 1.382 6.496 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.617 0.132 7.370 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.313 1.859 4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.010 3.178 5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.271 3.173 5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.884 -0.677 5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.661 -0.637 5.267 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.784 0.632 4.379 1.00 0.00 H new ATOM 232 N ALA A 17 -3.006 5.030 7.630 1.00 0.00 N ATOM 233 CA ALA A 17 -3.242 6.431 7.314 1.00 0.00 C ATOM 234 C ALA A 17 -2.568 6.809 6.003 1.00 0.00 C ATOM 235 O ALA A 17 -1.470 6.342 5.700 1.00 0.00 O ATOM 236 CB ALA A 17 -2.744 7.324 8.439 1.00 0.00 C ATOM 0 H ALA A 17 -2.046 4.814 7.899 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.317 6.577 7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.929 8.368 8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.271 7.076 9.360 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.674 7.169 8.580 1.00 0.00 H new ATOM 242 N ILE A 18 -3.233 7.651 5.224 1.00 0.00 N ATOM 243 CA ILE A 18 -2.700 8.084 3.945 1.00 0.00 C ATOM 244 C ILE A 18 -2.286 9.553 4.001 1.00 0.00 C ATOM 245 O ILE A 18 -3.132 10.445 4.081 1.00 0.00 O ATOM 246 CB ILE A 18 -3.741 7.859 2.823 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.488 6.519 2.133 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.723 8.994 1.809 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.626 6.071 1.244 1.00 0.00 C ATOM 0 H ILE A 18 -4.143 8.047 5.458 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.815 7.488 3.724 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.731 7.842 3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.579 6.593 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.309 5.757 2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.467 8.803 1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.955 9.934 2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.735 9.060 1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.376 5.113 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.533 5.964 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.791 6.813 0.463 1.00 0.00 H new ATOM 261 N ASN A 19 -0.982 9.793 3.955 1.00 0.00 N ATOM 262 CA ASN A 19 -0.456 11.152 3.995 1.00 0.00 C ATOM 263 C ASN A 19 0.124 11.541 2.641 1.00 0.00 C ATOM 264 O ASN A 19 1.164 11.027 2.229 1.00 0.00 O ATOM 265 CB ASN A 19 0.616 11.276 5.079 1.00 0.00 C ATOM 266 CG ASN A 19 0.057 11.070 6.472 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.156 11.112 6.679 1.00 0.00 O ATOM 268 ND2 ASN A 19 0.939 10.843 7.438 1.00 0.00 N ATOM 0 H ASN A 19 -0.270 9.066 3.890 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.276 11.830 4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.402 10.544 4.894 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.078 12.261 5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.620 10.695 8.395 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.936 10.816 7.223 1.00 0.00 H new ATOM 275 N GLU A 20 -0.555 12.450 1.952 1.00 0.00 N ATOM 276 CA GLU A 20 -0.105 12.905 0.641 1.00 0.00 C ATOM 277 C GLU A 20 0.744 14.166 0.757 1.00 0.00 C ATOM 278 O GLU A 20 1.431 14.550 -0.190 1.00 0.00 O ATOM 279 CB GLU A 20 -1.299 13.158 -0.282 1.00 0.00 C ATOM 280 CG GLU A 20 -2.458 13.870 0.398 1.00 0.00 C ATOM 281 CD GLU A 20 -3.410 14.510 -0.594 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.142 15.652 -1.024 1.00 0.00 O ATOM 283 OE2 GLU A 20 -4.424 13.870 -0.941 1.00 0.00 O ATOM 0 H GLU A 20 -1.418 12.886 2.278 1.00 0.00 H new ATOM 0 HA GLU A 20 0.512 12.116 0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.969 13.752 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.651 12.204 -0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.006 13.158 1.015 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.067 14.636 1.067 1.00 0.00 H new ATOM 290 N ASP A 21 0.705 14.808 1.923 1.00 0.00 N ATOM 291 CA ASP A 21 1.483 16.020 2.150 1.00 0.00 C ATOM 292 C ASP A 21 2.962 15.771 1.872 1.00 0.00 C ATOM 293 O ASP A 21 3.716 16.699 1.579 1.00 0.00 O ATOM 294 CB ASP A 21 1.297 16.512 3.587 1.00 0.00 C ATOM 295 CG ASP A 21 -0.114 17.001 3.853 1.00 0.00 C ATOM 296 OD1 ASP A 21 -0.855 17.240 2.876 1.00 0.00 O ATOM 297 OD2 ASP A 21 -0.479 17.145 5.039 1.00 0.00 O ATOM 0 H ASP A 21 0.145 14.509 2.721 1.00 0.00 H new ATOM 0 HA ASP A 21 1.124 16.788 1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.535 15.704 4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.002 17.319 3.786 1.00 0.00 H new ATOM 302 N VAL A 22 3.366 14.509 1.960 1.00 0.00 N ATOM 303 CA VAL A 22 4.745 14.126 1.715 1.00 0.00 C ATOM 304 C VAL A 22 5.013 13.975 0.223 1.00 0.00 C ATOM 305 O VAL A 22 4.098 13.712 -0.558 1.00 0.00 O ATOM 306 CB VAL A 22 5.105 12.810 2.418 1.00 0.00 C ATOM 307 CG1 VAL A 22 6.603 12.728 2.665 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.330 12.652 3.719 1.00 0.00 C ATOM 0 H VAL A 22 2.751 13.732 2.201 1.00 0.00 H new ATOM 0 HA VAL A 22 5.366 14.924 2.121 1.00 0.00 H new ATOM 0 HB VAL A 22 4.821 11.988 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.839 11.788 3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.132 12.776 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.914 13.561 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.606 11.711 4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.568 13.480 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.261 12.652 3.508 1.00 0.00 H new ATOM 318 N SER A 23 6.270 14.142 -0.168 1.00 0.00 N ATOM 319 CA SER A 23 6.653 14.022 -1.569 1.00 0.00 C ATOM 320 C SER A 23 7.963 13.248 -1.711 1.00 0.00 C ATOM 321 O SER A 23 9.030 13.760 -1.374 1.00 0.00 O ATOM 322 CB SER A 23 6.796 15.407 -2.199 1.00 0.00 C ATOM 323 OG SER A 23 7.132 16.380 -1.224 1.00 0.00 O ATOM 0 H SER A 23 7.040 14.361 0.464 1.00 0.00 H new ATOM 0 HA SER A 23 5.869 13.472 -2.089 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.565 15.381 -2.971 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.863 15.685 -2.688 1.00 0.00 H new ATOM 0 HG SER A 23 7.219 17.257 -1.653 1.00 0.00 H new ATOM 329 N PRO A 24 7.907 11.997 -2.211 1.00 0.00 N ATOM 330 CA PRO A 24 6.659 11.341 -2.627 1.00 0.00 C ATOM 331 C PRO A 24 5.767 10.982 -1.441 1.00 0.00 C ATOM 332 O PRO A 24 6.258 10.685 -0.351 1.00 0.00 O ATOM 333 CB PRO A 24 7.132 10.064 -3.341 1.00 0.00 C ATOM 334 CG PRO A 24 8.605 10.225 -3.524 1.00 0.00 C ATOM 335 CD PRO A 24 9.065 11.122 -2.413 1.00 0.00 C ATOM 0 HA PRO A 24 6.055 11.995 -3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.906 9.178 -2.748 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.629 9.943 -4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.111 9.261 -3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.832 10.661 -4.497 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.310 10.559 -1.512 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.956 11.686 -2.689 1.00 0.00 H new ATOM 343 N ALA A 25 4.456 11.009 -1.662 1.00 0.00 N ATOM 344 CA ALA A 25 3.495 10.683 -0.614 1.00 0.00 C ATOM 345 C ALA A 25 3.754 9.289 -0.048 1.00 0.00 C ATOM 346 O ALA A 25 4.543 8.524 -0.601 1.00 0.00 O ATOM 347 CB ALA A 25 2.074 10.777 -1.154 1.00 0.00 C ATOM 0 H ALA A 25 4.035 11.254 -2.558 1.00 0.00 H new ATOM 0 HA ALA A 25 3.615 11.405 0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.367 10.531 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.885 11.791 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.952 10.076 -1.980 1.00 0.00 H new ATOM 353 N GLU A 26 3.089 8.966 1.059 1.00 0.00 N ATOM 354 CA GLU A 26 3.263 7.662 1.694 1.00 0.00 C ATOM 355 C GLU A 26 2.061 7.299 2.564 1.00 0.00 C ATOM 356 O GLU A 26 1.325 8.173 3.024 1.00 0.00 O ATOM 357 CB GLU A 26 4.536 7.650 2.541 1.00 0.00 C ATOM 358 CG GLU A 26 5.805 7.887 1.740 1.00 0.00 C ATOM 359 CD GLU A 26 7.062 7.731 2.577 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.947 7.695 3.820 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.160 7.645 1.987 1.00 0.00 O ATOM 0 H GLU A 26 2.430 9.584 1.532 1.00 0.00 H new ATOM 0 HA GLU A 26 3.347 6.918 0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.456 8.416 3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.613 6.690 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.840 7.187 0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.779 8.890 1.314 1.00 0.00 H new ATOM 368 N LEU A 27 1.877 6.000 2.788 1.00 0.00 N ATOM 369 CA LEU A 27 0.775 5.507 3.609 1.00 0.00 C ATOM 370 C LEU A 27 1.311 4.868 4.890 1.00 0.00 C ATOM 371 O LEU A 27 2.072 3.903 4.841 1.00 0.00 O ATOM 372 CB LEU A 27 -0.057 4.493 2.823 1.00 0.00 C ATOM 373 CG LEU A 27 -1.252 3.910 3.577 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.309 3.417 2.602 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.802 2.782 4.491 1.00 0.00 C ATOM 0 H LEU A 27 2.479 5.268 2.411 1.00 0.00 H new ATOM 0 HA LEU A 27 0.139 6.350 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.420 4.971 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.593 3.674 2.515 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.692 4.697 4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.152 3.005 3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.651 4.248 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.882 2.643 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.664 2.377 5.021 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.339 1.995 3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.080 3.164 5.212 1.00 0.00 H new ATOM 387 N THR A 28 0.928 5.428 6.032 1.00 0.00 N ATOM 388 CA THR A 28 1.373 4.949 7.316 1.00 0.00 C ATOM 389 C THR A 28 0.479 3.834 7.853 1.00 0.00 C ATOM 390 O THR A 28 -0.729 3.822 7.616 1.00 0.00 O ATOM 391 CB THR A 28 1.377 6.124 8.280 1.00 0.00 C ATOM 392 OG1 THR A 28 1.247 7.350 7.580 1.00 0.00 O ATOM 393 CG2 THR A 28 2.631 6.208 9.103 1.00 0.00 C ATOM 0 H THR A 28 0.298 6.229 6.083 1.00 0.00 H new ATOM 0 HA THR A 28 2.373 4.528 7.210 1.00 0.00 H new ATOM 0 HB THR A 28 0.529 5.955 8.944 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.203 8.090 8.221 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.571 7.068 9.771 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.741 5.298 9.692 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.492 6.320 8.444 1.00 0.00 H new ATOM 401 N TRP A 29 1.085 2.908 8.588 1.00 0.00 N ATOM 402 CA TRP A 29 0.367 1.794 9.179 1.00 0.00 C ATOM 403 C TRP A 29 0.757 1.622 10.639 1.00 0.00 C ATOM 404 O TRP A 29 1.873 1.202 10.946 1.00 0.00 O ATOM 405 CB TRP A 29 0.660 0.495 8.431 1.00 0.00 C ATOM 406 CG TRP A 29 -0.059 -0.678 9.019 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.395 -0.761 9.267 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.509 -1.920 9.452 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.701 -1.986 9.807 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.549 -2.713 9.930 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.806 -2.444 9.475 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.354 -3.995 10.424 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.998 -3.724 9.969 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.920 -4.487 10.436 1.00 0.00 C ATOM 0 H TRP A 29 2.085 2.912 8.788 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.698 2.015 9.108 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.371 0.608 7.386 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.733 0.305 8.446 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.111 0.023 9.068 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.634 -2.302 10.073 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.641 -1.862 9.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.183 -4.585 10.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.994 -4.140 9.994 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.100 -5.483 10.813 1.00 0.00 H new ATOM 425 N ARG A 30 -0.165 1.930 11.535 1.00 0.00 N ATOM 426 CA ARG A 30 0.097 1.786 12.961 1.00 0.00 C ATOM 427 C ARG A 30 -0.615 0.550 13.498 1.00 0.00 C ATOM 428 O ARG A 30 -1.820 0.394 13.308 1.00 0.00 O ATOM 429 CB ARG A 30 -0.360 3.033 13.720 1.00 0.00 C ATOM 430 CG ARG A 30 0.020 3.023 15.192 1.00 0.00 C ATOM 431 CD ARG A 30 -0.523 4.244 15.915 1.00 0.00 C ATOM 432 NE ARG A 30 -0.055 4.313 17.298 1.00 0.00 N ATOM 433 CZ ARG A 30 1.154 4.743 17.651 1.00 0.00 C ATOM 434 NH1 ARG A 30 2.021 5.141 16.728 1.00 0.00 N ATOM 435 NH2 ARG A 30 1.498 4.775 18.931 1.00 0.00 N ATOM 0 H ARG A 30 -1.096 2.279 11.305 1.00 0.00 H new ATOM 0 HA ARG A 30 1.171 1.669 13.109 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.073 3.915 13.248 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.443 3.124 13.633 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.366 2.119 15.662 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.105 2.994 15.289 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.218 5.146 15.384 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.613 4.219 15.902 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.693 4.014 18.036 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.762 5.118 15.742 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.946 5.469 17.005 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.836 4.470 19.645 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.425 5.104 19.202 1.00 0.00 H new ATOM 449 N SER A 31 0.128 -0.329 14.162 1.00 0.00 N ATOM 450 CA SER A 31 -0.450 -1.547 14.707 1.00 0.00 C ATOM 451 C SER A 31 -1.546 -1.222 15.711 1.00 0.00 C ATOM 452 O SER A 31 -1.618 -0.109 16.233 1.00 0.00 O ATOM 453 CB SER A 31 0.634 -2.403 15.365 1.00 0.00 C ATOM 454 OG SER A 31 0.070 -3.337 16.269 1.00 0.00 O ATOM 0 H SER A 31 1.127 -0.220 14.334 1.00 0.00 H new ATOM 0 HA SER A 31 -0.893 -2.111 13.886 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.200 -2.931 14.598 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.338 -1.760 15.894 1.00 0.00 H new ATOM 0 HG SER A 31 0.784 -3.872 16.674 1.00 0.00 H new ATOM 460 N THR A 32 -2.390 -2.205 15.982 1.00 0.00 N ATOM 461 CA THR A 32 -3.474 -2.046 16.925 1.00 0.00 C ATOM 462 C THR A 32 -2.922 -1.709 18.301 1.00 0.00 C ATOM 463 O THR A 32 -3.546 -0.991 19.084 1.00 0.00 O ATOM 464 CB THR A 32 -4.267 -3.348 16.964 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.319 -3.331 16.016 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.864 -3.660 18.309 1.00 0.00 C ATOM 0 H THR A 32 -2.339 -3.130 15.554 1.00 0.00 H new ATOM 0 HA THR A 32 -4.127 -1.229 16.619 1.00 0.00 H new ATOM 0 HB THR A 32 -3.537 -4.123 16.730 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.967 -3.568 15.133 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.412 -4.601 18.255 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.068 -3.746 19.049 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.545 -2.860 18.599 1.00 0.00 H new ATOM 474 N ASP A 33 -1.747 -2.246 18.579 1.00 0.00 N ATOM 475 CA ASP A 33 -1.082 -2.025 19.856 1.00 0.00 C ATOM 476 C ASP A 33 -0.572 -0.596 19.966 1.00 0.00 C ATOM 477 O ASP A 33 -0.541 -0.013 21.050 1.00 0.00 O ATOM 478 CB ASP A 33 0.075 -3.010 20.032 1.00 0.00 C ATOM 479 CG ASP A 33 -0.398 -4.449 20.117 1.00 0.00 C ATOM 480 OD1 ASP A 33 -1.604 -4.664 20.363 1.00 0.00 O ATOM 481 OD2 ASP A 33 0.437 -5.360 19.939 1.00 0.00 O ATOM 0 H ASP A 33 -1.229 -2.843 17.934 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.812 -2.190 20.648 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.767 -2.907 19.196 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.628 -2.758 20.937 1.00 0.00 H new ATOM 486 N GLY A 34 -0.166 -0.043 18.834 1.00 0.00 N ATOM 487 CA GLY A 34 0.348 1.311 18.809 1.00 0.00 C ATOM 488 C GLY A 34 1.815 1.369 19.174 1.00 0.00 C ATOM 489 O GLY A 34 2.307 2.393 19.648 1.00 0.00 O ATOM 0 H GLY A 34 -0.183 -0.510 17.927 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.205 1.734 17.815 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.223 1.928 19.503 1.00 0.00 H new ATOM 493 N ASP A 35 2.513 0.262 18.952 1.00 0.00 N ATOM 494 CA ASP A 35 3.934 0.179 19.260 1.00 0.00 C ATOM 495 C ASP A 35 4.770 0.051 17.989 1.00 0.00 C ATOM 496 O ASP A 35 5.969 0.324 17.996 1.00 0.00 O ATOM 497 CB ASP A 35 4.209 -1.006 20.187 1.00 0.00 C ATOM 498 CG ASP A 35 3.574 -0.833 21.553 1.00 0.00 C ATOM 499 OD1 ASP A 35 3.201 0.309 21.894 1.00 0.00 O ATOM 500 OD2 ASP A 35 3.450 -1.839 22.282 1.00 0.00 O ATOM 0 H ASP A 35 2.117 -0.592 18.559 1.00 0.00 H new ATOM 0 HA ASP A 35 4.220 1.102 19.764 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.831 -1.919 19.727 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.286 -1.130 20.303 1.00 0.00 H new ATOM 505 N LYS A 36 4.131 -0.366 16.900 1.00 0.00 N ATOM 506 CA LYS A 36 4.820 -0.528 15.626 1.00 0.00 C ATOM 507 C LYS A 36 4.121 0.269 14.529 1.00 0.00 C ATOM 508 O LYS A 36 2.918 0.123 14.313 1.00 0.00 O ATOM 509 CB LYS A 36 4.884 -2.008 15.241 1.00 0.00 C ATOM 510 CG LYS A 36 6.262 -2.622 15.426 1.00 0.00 C ATOM 511 CD LYS A 36 6.537 -2.942 16.886 1.00 0.00 C ATOM 512 CE LYS A 36 7.876 -3.638 17.061 1.00 0.00 C ATOM 513 NZ LYS A 36 7.820 -4.700 18.104 1.00 0.00 N ATOM 0 H LYS A 36 3.138 -0.597 16.875 1.00 0.00 H new ATOM 0 HA LYS A 36 5.835 -0.147 15.736 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.164 -2.563 15.842 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.582 -2.118 14.199 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.339 -3.533 14.832 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.021 -1.934 15.054 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.525 -2.022 17.470 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.742 -3.577 17.276 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.183 -4.078 16.112 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.634 -2.903 17.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.754 -5.150 18.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.552 -4.277 19.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.115 -5.415 17.834 1.00 0.00 H new ATOM 527 N VAL A 37 4.884 1.111 13.842 1.00 0.00 N ATOM 528 CA VAL A 37 4.338 1.931 12.769 1.00 0.00 C ATOM 529 C VAL A 37 5.115 1.727 11.474 1.00 0.00 C ATOM 530 O VAL A 37 6.325 1.944 11.422 1.00 0.00 O ATOM 531 CB VAL A 37 4.361 3.427 13.138 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.623 4.247 12.091 1.00 0.00 C ATOM 533 CG2 VAL A 37 3.760 3.644 14.518 1.00 0.00 C ATOM 0 H VAL A 37 5.881 1.243 14.009 1.00 0.00 H new ATOM 0 HA VAL A 37 3.305 1.616 12.624 1.00 0.00 H new ATOM 0 HB VAL A 37 5.398 3.762 13.162 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.650 5.301 12.369 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.103 4.115 11.121 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.587 3.914 12.032 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.784 4.706 14.763 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.728 3.294 14.525 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.337 3.088 15.257 1.00 0.00 H new ATOM 543 N HIS A 38 4.409 1.309 10.428 1.00 0.00 N ATOM 544 CA HIS A 38 5.032 1.074 9.129 1.00 0.00 C ATOM 545 C HIS A 38 4.617 2.135 8.124 1.00 0.00 C ATOM 546 O HIS A 38 3.474 2.580 8.104 1.00 0.00 O ATOM 547 CB HIS A 38 4.676 -0.305 8.589 1.00 0.00 C ATOM 548 CG HIS A 38 5.272 -0.602 7.246 1.00 0.00 C ATOM 549 ND1 HIS A 38 5.089 -0.004 6.046 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 6.167 -1.628 7.028 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 5.869 -0.672 5.135 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 6.510 -1.647 5.751 1.00 0.00 N flip ATOM 0 H HIS A 38 3.406 1.126 10.454 1.00 0.00 H new ATOM 0 HA HIS A 38 6.111 1.127 9.275 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.011 -1.061 9.300 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.591 -0.389 8.521 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.531 -2.310 7.782 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.946 -0.437 4.084 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.159 -2.303 5.317 1.00 0.00 H new ATOM 561 N THR A 39 5.560 2.525 7.290 1.00 0.00 N ATOM 562 CA THR A 39 5.308 3.534 6.266 1.00 0.00 C ATOM 563 C THR A 39 5.403 2.921 4.873 1.00 0.00 C ATOM 564 O THR A 39 6.337 2.177 4.573 1.00 0.00 O ATOM 565 CB THR A 39 6.298 4.690 6.399 1.00 0.00 C ATOM 566 OG1 THR A 39 6.451 5.065 7.757 1.00 0.00 O ATOM 567 CG2 THR A 39 5.885 5.924 5.627 1.00 0.00 C ATOM 0 H THR A 39 6.513 2.161 7.297 1.00 0.00 H new ATOM 0 HA THR A 39 4.298 3.919 6.409 1.00 0.00 H new ATOM 0 HB THR A 39 7.234 4.317 5.983 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.090 5.805 7.822 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.632 6.706 5.765 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.806 5.681 4.567 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.920 6.275 5.992 1.00 0.00 H new ATOM 575 N VAL A 40 4.426 3.231 4.027 1.00 0.00 N ATOM 576 CA VAL A 40 4.393 2.705 2.668 1.00 0.00 C ATOM 577 C VAL A 40 4.558 3.818 1.639 1.00 0.00 C ATOM 578 O VAL A 40 4.021 4.913 1.801 1.00 0.00 O ATOM 579 CB VAL A 40 3.073 1.962 2.390 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.120 1.269 1.036 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.777 0.964 3.498 1.00 0.00 C ATOM 0 H VAL A 40 3.645 3.845 4.260 1.00 0.00 H new ATOM 0 HA VAL A 40 5.226 2.007 2.580 1.00 0.00 H new ATOM 0 HB VAL A 40 2.266 2.694 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.178 0.750 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.278 2.011 0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.938 0.549 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.840 0.449 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.586 0.236 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.692 1.490 4.449 1.00 0.00 H new ATOM 591 N VAL A 41 5.299 3.525 0.575 1.00 0.00 N ATOM 592 CA VAL A 41 5.527 4.496 -0.488 1.00 0.00 C ATOM 593 C VAL A 41 4.476 4.351 -1.583 1.00 0.00 C ATOM 594 O VAL A 41 4.303 3.273 -2.151 1.00 0.00 O ATOM 595 CB VAL A 41 6.927 4.335 -1.108 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.226 5.484 -2.060 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.986 4.246 -0.019 1.00 0.00 C ATOM 0 H VAL A 41 5.751 2.623 0.427 1.00 0.00 H new ATOM 0 HA VAL A 41 5.454 5.487 -0.040 1.00 0.00 H new ATOM 0 HB VAL A 41 6.947 3.407 -1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.220 5.353 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.485 5.496 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.188 6.427 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.969 4.132 -0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.968 5.156 0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.781 3.386 0.619 1.00 0.00 H new ATOM 607 N LEU A 42 3.770 5.440 -1.866 1.00 0.00 N ATOM 608 CA LEU A 42 2.727 5.433 -2.886 1.00 0.00 C ATOM 609 C LEU A 42 3.290 5.748 -4.271 1.00 0.00 C ATOM 610 O LEU A 42 2.606 5.573 -5.280 1.00 0.00 O ATOM 611 CB LEU A 42 1.630 6.435 -2.526 1.00 0.00 C ATOM 612 CG LEU A 42 1.120 6.350 -1.085 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.079 7.266 -0.888 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.761 4.914 -0.727 1.00 0.00 C ATOM 0 H LEU A 42 3.901 6.340 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 42 2.303 4.429 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.007 7.442 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.788 6.287 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 42 1.917 6.680 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.428 7.192 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.211 8.295 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.880 6.968 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.401 4.875 0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.019 4.556 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.644 4.283 -0.826 1.00 0.00 H new ATOM 626 N SER A 43 4.538 6.210 -4.320 1.00 0.00 N ATOM 627 CA SER A 43 5.178 6.544 -5.586 1.00 0.00 C ATOM 628 C SER A 43 5.679 5.286 -6.284 1.00 0.00 C ATOM 629 O SER A 43 5.760 5.233 -7.511 1.00 0.00 O ATOM 630 CB SER A 43 6.339 7.510 -5.355 1.00 0.00 C ATOM 631 OG SER A 43 6.436 8.454 -6.409 1.00 0.00 O ATOM 0 H SER A 43 5.123 6.361 -3.498 1.00 0.00 H new ATOM 0 HA SER A 43 4.438 7.025 -6.226 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.199 8.031 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.271 6.951 -5.277 1.00 0.00 H new ATOM 0 HG SER A 43 5.567 8.536 -6.855 1.00 0.00 H new ATOM 637 N THR A 44 6.015 4.273 -5.492 1.00 0.00 N ATOM 638 CA THR A 44 6.506 3.014 -6.034 1.00 0.00 C ATOM 639 C THR A 44 5.353 2.113 -6.470 1.00 0.00 C ATOM 640 O THR A 44 5.548 1.168 -7.236 1.00 0.00 O ATOM 641 CB THR A 44 7.374 2.292 -5.002 1.00 0.00 C ATOM 642 OG1 THR A 44 7.944 1.121 -5.557 1.00 0.00 O ATOM 643 CG2 THR A 44 6.612 1.888 -3.759 1.00 0.00 C ATOM 0 H THR A 44 5.956 4.300 -4.474 1.00 0.00 H new ATOM 0 HA THR A 44 7.111 3.242 -6.912 1.00 0.00 H new ATOM 0 HB THR A 44 8.145 3.009 -4.719 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.567 0.723 -4.913 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.285 1.381 -3.068 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.201 2.776 -3.279 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.799 1.215 -4.033 1.00 0.00 H new ATOM 651 N ILE A 45 4.154 2.407 -5.977 1.00 0.00 N ATOM 652 CA ILE A 45 2.975 1.619 -6.316 1.00 0.00 C ATOM 653 C ILE A 45 2.590 1.803 -7.779 1.00 0.00 C ATOM 654 O ILE A 45 1.862 2.733 -8.129 1.00 0.00 O ATOM 655 CB ILE A 45 1.772 1.998 -5.431 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.174 1.994 -3.956 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.614 1.041 -5.673 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.767 0.681 -3.493 1.00 0.00 C ATOM 0 H ILE A 45 3.974 3.185 -5.342 1.00 0.00 H new ATOM 0 HA ILE A 45 3.234 0.575 -6.140 1.00 0.00 H new ATOM 0 HB ILE A 45 1.448 3.004 -5.696 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.897 2.791 -3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.298 2.222 -3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.228 1.322 -5.041 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.314 1.090 -6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.926 0.025 -5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.028 0.752 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.038 -0.117 -3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.662 0.461 -4.074 1.00 0.00 H new ATOM 670 N ASP A 46 3.080 0.909 -8.631 1.00 0.00 N ATOM 671 CA ASP A 46 2.782 0.968 -10.056 1.00 0.00 C ATOM 672 C ASP A 46 1.286 0.803 -10.303 1.00 0.00 C ATOM 673 O ASP A 46 0.743 1.337 -11.270 1.00 0.00 O ATOM 674 CB ASP A 46 3.558 -0.114 -10.806 1.00 0.00 C ATOM 675 CG ASP A 46 3.448 0.031 -12.312 1.00 0.00 C ATOM 676 OD1 ASP A 46 3.011 1.106 -12.775 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.799 -0.930 -13.028 1.00 0.00 O ATOM 0 H ASP A 46 3.686 0.135 -8.359 1.00 0.00 H new ATOM 0 HA ASP A 46 3.089 1.946 -10.427 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.608 -0.071 -10.516 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.185 -1.095 -10.510 1.00 0.00 H new ATOM 682 N LYS A 47 0.625 0.059 -9.421 1.00 0.00 N ATOM 683 CA LYS A 47 -0.808 -0.179 -9.542 1.00 0.00 C ATOM 684 C LYS A 47 -1.381 -0.720 -8.236 1.00 0.00 C ATOM 685 O LYS A 47 -0.669 -1.334 -7.442 1.00 0.00 O ATOM 686 CB LYS A 47 -1.088 -1.159 -10.683 1.00 0.00 C ATOM 687 CG LYS A 47 -1.657 -0.500 -11.928 1.00 0.00 C ATOM 688 CD LYS A 47 -1.673 -1.457 -13.108 1.00 0.00 C ATOM 689 CE LYS A 47 -2.528 -2.682 -12.822 1.00 0.00 C ATOM 690 NZ LYS A 47 -3.977 -2.344 -12.749 1.00 0.00 N ATOM 0 H LYS A 47 1.060 -0.389 -8.615 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.293 0.772 -9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.163 -1.672 -10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.786 -1.920 -10.334 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.670 -0.153 -11.726 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.063 0.379 -12.179 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.056 -0.943 -13.989 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.654 -1.769 -13.338 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.368 -3.426 -13.602 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.213 -3.133 -11.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.533 -3.218 -12.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.150 -1.733 -11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.261 -1.845 -13.616 1.00 0.00 H new ATOM 704 N LEU A 48 -2.672 -0.489 -8.021 1.00 0.00 N ATOM 705 CA LEU A 48 -3.340 -0.956 -6.812 1.00 0.00 C ATOM 706 C LEU A 48 -4.404 -1.997 -7.148 1.00 0.00 C ATOM 707 O LEU A 48 -5.383 -1.698 -7.831 1.00 0.00 O ATOM 708 CB LEU A 48 -3.975 0.219 -6.067 1.00 0.00 C ATOM 709 CG LEU A 48 -5.079 0.951 -6.835 1.00 0.00 C ATOM 710 CD1 LEU A 48 -6.447 0.601 -6.269 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.852 2.456 -6.792 1.00 0.00 C ATOM 0 H LEU A 48 -3.276 0.018 -8.668 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.592 -1.421 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.388 -0.147 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.193 0.935 -5.814 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.045 0.628 -7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.218 1.131 -6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.611 -0.473 -6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.493 0.894 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.646 2.960 -7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.857 2.795 -5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.890 2.692 -7.246 1.00 0.00 H new ATOM 723 N GLN A 49 -4.204 -3.219 -6.665 1.00 0.00 N ATOM 724 CA GLN A 49 -5.144 -4.304 -6.916 1.00 0.00 C ATOM 725 C GLN A 49 -6.004 -4.577 -5.685 1.00 0.00 C ATOM 726 O GLN A 49 -5.542 -4.443 -4.552 1.00 0.00 O ATOM 727 CB GLN A 49 -4.393 -5.574 -7.318 1.00 0.00 C ATOM 728 CG GLN A 49 -5.304 -6.701 -7.778 1.00 0.00 C ATOM 729 CD GLN A 49 -5.824 -6.491 -9.187 1.00 0.00 C ATOM 730 OE1 GLN A 49 -6.866 -5.869 -9.391 1.00 0.00 O ATOM 731 NE2 GLN A 49 -5.097 -7.012 -10.169 1.00 0.00 N ATOM 0 H GLN A 49 -3.399 -3.482 -6.097 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.798 -4.001 -7.734 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.693 -5.334 -8.119 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.801 -5.920 -6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.760 -7.645 -7.732 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.147 -6.785 -7.092 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.239 -7.520 -9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.396 -6.904 -11.138 1.00 0.00 H new ATOM 740 N ALA A 50 -7.255 -4.958 -5.917 1.00 0.00 N ATOM 741 CA ALA A 50 -8.179 -5.250 -4.828 1.00 0.00 C ATOM 742 C ALA A 50 -8.994 -6.505 -5.124 1.00 0.00 C ATOM 743 O ALA A 50 -9.192 -6.871 -6.283 1.00 0.00 O ATOM 744 CB ALA A 50 -9.102 -4.065 -4.588 1.00 0.00 C ATOM 0 H ALA A 50 -7.652 -5.072 -6.849 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.595 -5.430 -3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.787 -4.297 -3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.509 -3.189 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.673 -3.859 -5.493 1.00 0.00 H new ATOM 750 N THR A 51 -9.468 -7.162 -4.069 1.00 0.00 N ATOM 751 CA THR A 51 -10.260 -8.375 -4.218 1.00 0.00 C ATOM 752 C THR A 51 -11.640 -8.057 -4.790 1.00 0.00 C ATOM 753 O THR A 51 -12.184 -6.977 -4.557 1.00 0.00 O ATOM 754 CB THR A 51 -10.405 -9.085 -2.871 1.00 0.00 C ATOM 755 OG1 THR A 51 -11.182 -8.308 -1.976 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.079 -9.369 -2.200 1.00 0.00 C ATOM 0 H THR A 51 -9.316 -6.873 -3.103 1.00 0.00 H new ATOM 0 HA THR A 51 -9.741 -9.034 -4.913 1.00 0.00 H new ATOM 0 HB THR A 51 -10.892 -10.034 -3.095 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.449 -8.859 -1.211 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.253 -9.874 -1.250 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.474 -10.007 -2.844 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.553 -8.431 -2.022 1.00 0.00 H new ATOM 764 N PRO A 52 -12.227 -8.998 -5.548 1.00 0.00 N ATOM 765 CA PRO A 52 -13.551 -8.814 -6.153 1.00 0.00 C ATOM 766 C PRO A 52 -14.665 -8.789 -5.113 1.00 0.00 C ATOM 767 O PRO A 52 -14.447 -9.113 -3.946 1.00 0.00 O ATOM 768 CB PRO A 52 -13.700 -10.031 -7.068 1.00 0.00 C ATOM 769 CG PRO A 52 -12.807 -11.064 -6.473 1.00 0.00 C ATOM 770 CD PRO A 52 -11.648 -10.315 -5.874 1.00 0.00 C ATOM 0 HA PRO A 52 -13.629 -7.861 -6.676 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.734 -10.375 -7.104 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.406 -9.796 -8.091 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.332 -11.643 -5.713 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.466 -11.769 -7.231 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.261 -10.815 -4.986 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.819 -10.227 -6.577 1.00 0.00 H new ATOM 778 N ALA A 53 -15.861 -8.404 -5.546 1.00 0.00 N ATOM 779 CA ALA A 53 -17.014 -8.337 -4.654 1.00 0.00 C ATOM 780 C ALA A 53 -17.560 -9.728 -4.335 1.00 0.00 C ATOM 781 O ALA A 53 -18.462 -9.873 -3.511 1.00 0.00 O ATOM 782 CB ALA A 53 -18.103 -7.472 -5.268 1.00 0.00 C ATOM 0 H ALA A 53 -16.058 -8.133 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.685 -7.887 -3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.958 -7.430 -4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.719 -6.465 -5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.414 -7.900 -6.221 1.00 0.00 H new ATOM 788 N SER A 54 -17.012 -10.750 -4.989 1.00 0.00 N ATOM 789 CA SER A 54 -17.453 -12.123 -4.767 1.00 0.00 C ATOM 790 C SER A 54 -16.658 -12.790 -3.644 1.00 0.00 C ATOM 791 O SER A 54 -16.903 -13.947 -3.306 1.00 0.00 O ATOM 792 CB SER A 54 -17.313 -12.937 -6.054 1.00 0.00 C ATOM 793 OG SER A 54 -18.017 -14.163 -5.963 1.00 0.00 O ATOM 0 H SER A 54 -16.264 -10.653 -5.675 1.00 0.00 H new ATOM 0 HA SER A 54 -18.501 -12.091 -4.470 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.692 -12.359 -6.897 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.259 -13.133 -6.251 1.00 0.00 H new ATOM 0 HG SER A 54 -18.042 -14.457 -5.028 1.00 0.00 H new ATOM 799 N SER A 55 -15.709 -12.057 -3.067 1.00 0.00 N ATOM 800 CA SER A 55 -14.890 -12.585 -1.986 1.00 0.00 C ATOM 801 C SER A 55 -15.286 -11.960 -0.657 1.00 0.00 C ATOM 802 O SER A 55 -15.081 -10.766 -0.433 1.00 0.00 O ATOM 803 CB SER A 55 -13.407 -12.323 -2.265 1.00 0.00 C ATOM 804 OG SER A 55 -12.618 -13.453 -1.934 1.00 0.00 O ATOM 0 H SER A 55 -15.490 -11.097 -3.332 1.00 0.00 H new ATOM 0 HA SER A 55 -15.055 -13.661 -1.928 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.270 -12.076 -3.318 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.072 -11.460 -1.689 1.00 0.00 H new ATOM 0 HG SER A 55 -11.676 -13.261 -2.123 1.00 0.00 H new ATOM 810 N GLU A 56 -15.850 -12.775 0.226 1.00 0.00 N ATOM 811 CA GLU A 56 -16.268 -12.304 1.540 1.00 0.00 C ATOM 812 C GLU A 56 -15.092 -11.702 2.302 1.00 0.00 C ATOM 813 O GLU A 56 -15.280 -10.955 3.262 1.00 0.00 O ATOM 814 CB GLU A 56 -16.874 -13.455 2.345 1.00 0.00 C ATOM 815 CG GLU A 56 -17.483 -13.018 3.667 1.00 0.00 C ATOM 816 CD GLU A 56 -17.991 -14.185 4.492 1.00 0.00 C ATOM 817 OE1 GLU A 56 -17.830 -15.342 4.049 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.552 -13.942 5.582 1.00 0.00 O ATOM 0 H GLU A 56 -16.028 -13.765 0.056 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.021 -11.529 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.642 -13.943 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.101 -14.198 2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.737 -12.469 4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.306 -12.330 3.473 1.00 0.00 H new ATOM 825 N LYS A 57 -13.880 -12.032 1.867 1.00 0.00 N ATOM 826 CA LYS A 57 -12.673 -11.525 2.511 1.00 0.00 C ATOM 827 C LYS A 57 -12.189 -10.247 1.832 1.00 0.00 C ATOM 828 O LYS A 57 -12.143 -10.163 0.604 1.00 0.00 O ATOM 829 CB LYS A 57 -11.570 -12.582 2.479 1.00 0.00 C ATOM 830 CG LYS A 57 -11.889 -13.820 3.302 1.00 0.00 C ATOM 831 CD LYS A 57 -10.738 -14.814 3.282 1.00 0.00 C ATOM 832 CE LYS A 57 -9.545 -14.297 4.068 1.00 0.00 C ATOM 833 NZ LYS A 57 -8.581 -15.384 4.395 1.00 0.00 N ATOM 0 H LYS A 57 -13.708 -12.648 1.072 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.915 -11.294 3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.393 -12.879 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.644 -12.140 2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.102 -13.529 4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.789 -14.296 2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.068 -15.764 3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.440 -15.008 2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.038 -13.524 3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.892 -13.831 4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.782 -14.990 4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.057 -16.110 4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.229 -15.813 3.515 1.00 0.00 H new ATOM 847 N MET A 58 -11.826 -9.256 2.639 1.00 0.00 N ATOM 848 CA MET A 58 -11.342 -7.983 2.117 1.00 0.00 C ATOM 849 C MET A 58 -9.819 -7.928 2.154 1.00 0.00 C ATOM 850 O MET A 58 -9.209 -8.036 3.217 1.00 0.00 O ATOM 851 CB MET A 58 -11.927 -6.823 2.925 1.00 0.00 C ATOM 852 CG MET A 58 -13.437 -6.690 2.792 1.00 0.00 C ATOM 853 SD MET A 58 -14.297 -6.902 4.363 1.00 0.00 S ATOM 854 CE MET A 58 -15.553 -8.095 3.904 1.00 0.00 C ATOM 0 H MET A 58 -11.858 -9.310 3.657 1.00 0.00 H new ATOM 0 HA MET A 58 -11.666 -7.894 1.080 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.674 -6.959 3.976 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.459 -5.893 2.602 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.676 -5.709 2.381 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.801 -7.431 2.080 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.540 -7.650 4.028 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.415 -8.386 2.863 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.469 -8.975 4.541 1.00 0.00 H new ATOM 864 N MET A 59 -9.210 -7.761 0.985 1.00 0.00 N ATOM 865 CA MET A 59 -7.756 -7.695 0.883 1.00 0.00 C ATOM 866 C MET A 59 -7.332 -6.838 -0.307 1.00 0.00 C ATOM 867 O MET A 59 -7.810 -7.032 -1.425 1.00 0.00 O ATOM 868 CB MET A 59 -7.173 -9.103 0.747 1.00 0.00 C ATOM 869 CG MET A 59 -5.655 -9.135 0.710 1.00 0.00 C ATOM 870 SD MET A 59 -5.007 -10.681 0.046 1.00 0.00 S ATOM 871 CE MET A 59 -5.507 -11.833 1.322 1.00 0.00 C ATOM 0 H MET A 59 -9.700 -7.669 0.095 1.00 0.00 H new ATOM 0 HA MET A 59 -7.371 -7.235 1.793 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.520 -9.712 1.581 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.559 -9.560 -0.164 1.00 0.00 H new ATOM 0 HG2 MET A 59 -5.293 -8.304 0.104 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.268 -8.987 1.718 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.131 -12.828 1.082 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.099 -11.513 2.281 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.595 -11.861 1.381 1.00 0.00 H new ATOM 881 N LEU A 60 -6.431 -5.891 -0.062 1.00 0.00 N ATOM 882 CA LEU A 60 -5.943 -5.010 -1.118 1.00 0.00 C ATOM 883 C LEU A 60 -4.456 -5.237 -1.369 1.00 0.00 C ATOM 884 O LEU A 60 -3.637 -5.118 -0.456 1.00 0.00 O ATOM 885 CB LEU A 60 -6.191 -3.547 -0.746 1.00 0.00 C ATOM 886 CG LEU A 60 -5.837 -2.533 -1.835 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.839 -2.603 -2.975 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.782 -1.128 -1.255 1.00 0.00 C ATOM 0 H LEU A 60 -6.025 -5.714 0.857 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.489 -5.242 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.243 -3.427 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.614 -3.313 0.149 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.852 -2.780 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.571 -1.875 -3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.829 -3.604 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.837 -2.381 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.529 -0.419 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.753 -0.870 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.024 -1.087 -0.473 1.00 0.00 H new ATOM 900 N ARG A 61 -4.114 -5.567 -2.610 1.00 0.00 N ATOM 901 CA ARG A 61 -2.725 -5.814 -2.981 1.00 0.00 C ATOM 902 C ARG A 61 -2.160 -4.651 -3.788 1.00 0.00 C ATOM 903 O ARG A 61 -2.769 -4.202 -4.759 1.00 0.00 O ATOM 904 CB ARG A 61 -2.612 -7.110 -3.785 1.00 0.00 C ATOM 905 CG ARG A 61 -1.179 -7.530 -4.065 1.00 0.00 C ATOM 906 CD ARG A 61 -1.123 -8.830 -4.851 1.00 0.00 C ATOM 907 NE ARG A 61 0.228 -9.384 -4.898 1.00 0.00 N ATOM 908 CZ ARG A 61 0.538 -10.533 -5.496 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.402 -11.249 -6.100 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.791 -10.966 -5.491 1.00 0.00 N ATOM 0 H ARG A 61 -4.780 -5.670 -3.376 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.144 -5.911 -2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.116 -7.909 -3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.137 -6.987 -4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.671 -6.744 -4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.643 -7.650 -3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.797 -9.557 -4.398 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.479 -8.655 -5.866 1.00 0.00 H new ATOM 0 HE ARG A 61 0.978 -8.860 -4.446 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.367 -10.920 -6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.159 -12.128 -6.556 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.518 -10.419 -5.029 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.028 -11.846 -5.949 1.00 0.00 H new ATOM 924 N LEU A 62 -0.993 -4.170 -3.378 1.00 0.00 N ATOM 925 CA LEU A 62 -0.341 -3.059 -4.063 1.00 0.00 C ATOM 926 C LEU A 62 0.900 -3.535 -4.810 1.00 0.00 C ATOM 927 O LEU A 62 1.746 -4.233 -4.251 1.00 0.00 O ATOM 928 CB LEU A 62 0.032 -1.963 -3.061 1.00 0.00 C ATOM 929 CG LEU A 62 -0.823 -0.699 -3.143 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.267 -1.008 -2.778 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.261 0.383 -2.235 1.00 0.00 C ATOM 0 H LEU A 62 -0.478 -4.531 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.041 -2.648 -4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.044 -2.371 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.076 -1.689 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.800 -0.332 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.861 -0.097 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.666 -1.751 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.310 -1.399 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.882 1.276 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.254 0.026 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.757 0.623 -2.542 1.00 0.00 H new ATOM 943 N ILE A 63 0.998 -3.150 -6.076 1.00 0.00 N ATOM 944 CA ILE A 63 2.133 -3.536 -6.907 1.00 0.00 C ATOM 945 C ILE A 63 3.185 -2.432 -6.946 1.00 0.00 C ATOM 946 O ILE A 63 2.890 -1.294 -7.309 1.00 0.00 O ATOM 947 CB ILE A 63 1.695 -3.856 -8.349 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.465 -4.767 -8.345 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.838 -4.502 -9.119 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.673 -6.061 -7.590 1.00 0.00 C ATOM 0 H ILE A 63 0.306 -2.571 -6.551 1.00 0.00 H new ATOM 0 HA ILE A 63 2.561 -4.432 -6.457 1.00 0.00 H new ATOM 0 HB ILE A 63 1.429 -2.923 -8.846 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.374 -4.229 -7.903 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.190 -4.997 -9.374 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.513 -4.722 -10.136 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.688 -3.820 -9.149 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.133 -5.427 -8.624 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.240 -6.656 -7.629 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.491 -6.620 -8.045 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.918 -5.841 -6.551 1.00 0.00 H new ATOM 962 N GLY A 64 4.413 -2.777 -6.572 1.00 0.00 N ATOM 963 CA GLY A 64 5.487 -1.801 -6.573 1.00 0.00 C ATOM 964 C GLY A 64 6.134 -1.655 -7.938 1.00 0.00 C ATOM 965 O GLY A 64 5.768 -2.355 -8.883 1.00 0.00 O ATOM 0 H GLY A 64 4.683 -3.713 -6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.097 -0.835 -6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.243 -2.096 -5.845 1.00 0.00 H new ATOM 969 N LYS A 65 7.095 -0.743 -8.041 1.00 0.00 N ATOM 970 CA LYS A 65 7.791 -0.505 -9.300 1.00 0.00 C ATOM 971 C LYS A 65 8.737 -1.656 -9.629 1.00 0.00 C ATOM 972 O LYS A 65 8.986 -2.526 -8.796 1.00 0.00 O ATOM 973 CB LYS A 65 8.570 0.808 -9.236 1.00 0.00 C ATOM 974 CG LYS A 65 7.816 1.985 -9.828 1.00 0.00 C ATOM 975 CD LYS A 65 8.628 3.268 -9.743 1.00 0.00 C ATOM 976 CE LYS A 65 7.815 4.472 -10.189 1.00 0.00 C ATOM 977 NZ LYS A 65 8.641 5.449 -10.951 1.00 0.00 N ATOM 0 H LYS A 65 7.409 -0.157 -7.268 1.00 0.00 H new ATOM 0 HA LYS A 65 7.043 -0.438 -10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.813 1.027 -8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.515 0.688 -9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.573 1.776 -10.870 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.871 2.116 -9.300 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.969 3.417 -8.718 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.518 3.178 -10.365 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.983 4.139 -10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.385 4.963 -9.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.049 6.255 -11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.420 5.787 -10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.031 4.988 -11.798 1.00 0.00 H new ATOM 991 N VAL A 66 9.257 -1.650 -10.851 1.00 0.00 N ATOM 992 CA VAL A 66 10.177 -2.691 -11.296 1.00 0.00 C ATOM 993 C VAL A 66 11.475 -2.089 -11.826 1.00 0.00 C ATOM 994 O VAL A 66 12.143 -2.681 -12.675 1.00 0.00 O ATOM 995 CB VAL A 66 9.545 -3.568 -12.394 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.399 -4.800 -12.656 1.00 0.00 C ATOM 997 CG2 VAL A 66 8.126 -3.963 -12.013 1.00 0.00 C ATOM 0 H VAL A 66 9.057 -0.936 -11.552 1.00 0.00 H new ATOM 0 HA VAL A 66 10.396 -3.311 -10.427 1.00 0.00 H new ATOM 0 HB VAL A 66 9.500 -2.986 -13.315 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.935 -5.406 -13.434 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.393 -4.492 -12.980 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.482 -5.387 -11.741 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.697 -4.582 -12.801 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.143 -4.525 -11.079 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.520 -3.066 -11.886 1.00 0.00 H new ATOM 1007 N ASP A 67 11.827 -0.911 -11.320 1.00 0.00 N ATOM 1008 CA ASP A 67 13.046 -0.232 -11.746 1.00 0.00 C ATOM 1009 C ASP A 67 14.175 -0.467 -10.747 1.00 0.00 C ATOM 1010 O ASP A 67 14.057 -0.127 -9.570 1.00 0.00 O ATOM 1011 CB ASP A 67 12.791 1.268 -11.901 1.00 0.00 C ATOM 1012 CG ASP A 67 11.814 1.578 -13.018 1.00 0.00 C ATOM 1013 OD1 ASP A 67 11.584 0.692 -13.867 1.00 0.00 O ATOM 1014 OD2 ASP A 67 11.279 2.706 -13.043 1.00 0.00 O ATOM 0 H ASP A 67 11.287 -0.408 -10.616 1.00 0.00 H new ATOM 0 HA ASP A 67 13.345 -0.644 -12.710 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.404 1.666 -10.963 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.735 1.776 -12.097 1.00 0.00 H new ATOM 1019 N GLU A 68 15.269 -1.049 -11.226 1.00 0.00 N ATOM 1020 CA GLU A 68 16.421 -1.330 -10.375 1.00 0.00 C ATOM 1021 C GLU A 68 17.673 -0.647 -10.913 1.00 0.00 C ATOM 1022 O GLU A 68 18.767 -1.211 -10.869 1.00 0.00 O ATOM 1023 CB GLU A 68 16.650 -2.838 -10.270 1.00 0.00 C ATOM 1024 CG GLU A 68 15.495 -3.585 -9.620 1.00 0.00 C ATOM 1025 CD GLU A 68 15.765 -5.070 -9.481 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.732 -5.560 -10.101 1.00 0.00 O ATOM 1027 OE2 GLU A 68 15.009 -5.744 -8.750 1.00 0.00 O ATOM 0 H GLU A 68 15.383 -1.335 -12.198 1.00 0.00 H new ATOM 0 HA GLU A 68 16.213 -0.934 -9.381 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.817 -3.242 -11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.559 -3.020 -9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.302 -3.161 -8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.592 -3.438 -10.213 1.00 0.00 H new ATOM 1034 N SER A 69 17.507 0.569 -11.420 1.00 0.00 N ATOM 1035 CA SER A 69 18.625 1.331 -11.966 1.00 0.00 C ATOM 1036 C SER A 69 19.199 2.284 -10.924 1.00 0.00 C ATOM 1037 O SER A 69 20.361 2.682 -11.005 1.00 0.00 O ATOM 1038 CB SER A 69 18.180 2.115 -13.202 1.00 0.00 C ATOM 1039 OG SER A 69 18.421 1.377 -14.389 1.00 0.00 O ATOM 0 H SER A 69 16.608 1.049 -11.465 1.00 0.00 H new ATOM 0 HA SER A 69 19.405 0.626 -12.252 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.118 2.349 -13.125 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.714 3.064 -13.246 1.00 0.00 H new ATOM 0 HG SER A 69 18.126 1.899 -15.164 1.00 0.00 H new ATOM 1045 N LYS A 70 18.379 2.645 -9.946 1.00 0.00 N ATOM 1046 CA LYS A 70 18.804 3.550 -8.885 1.00 0.00 C ATOM 1047 C LYS A 70 19.857 2.893 -7.997 1.00 0.00 C ATOM 1048 O LYS A 70 20.827 3.533 -7.592 1.00 0.00 O ATOM 1049 CB LYS A 70 17.602 3.977 -8.039 1.00 0.00 C ATOM 1050 CG LYS A 70 16.943 2.827 -7.295 1.00 0.00 C ATOM 1051 CD LYS A 70 15.676 3.277 -6.584 1.00 0.00 C ATOM 1052 CE LYS A 70 15.161 2.207 -5.635 1.00 0.00 C ATOM 1053 NZ LYS A 70 13.888 2.614 -4.978 1.00 0.00 N ATOM 0 H LYS A 70 17.414 2.325 -9.865 1.00 0.00 H new ATOM 0 HA LYS A 70 19.246 4.432 -9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.924 4.728 -7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.864 4.451 -8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.704 2.028 -7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.642 2.414 -6.568 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.875 4.193 -6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.908 3.512 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.005 1.279 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.914 2.004 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.570 1.858 -4.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.042 3.486 -4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.162 2.783 -5.703 1.00 0.00 H new ATOM 1067 N LYS A 71 19.658 1.613 -7.701 1.00 0.00 N ATOM 1068 CA LYS A 71 20.591 0.869 -6.863 1.00 0.00 C ATOM 1069 C LYS A 71 21.631 0.150 -7.714 1.00 0.00 C ATOM 1070 O LYS A 71 21.333 -0.319 -8.813 1.00 0.00 O ATOM 1071 CB LYS A 71 19.835 -0.140 -5.995 1.00 0.00 C ATOM 1072 CG LYS A 71 19.626 0.327 -4.562 1.00 0.00 C ATOM 1073 CD LYS A 71 18.576 1.423 -4.482 1.00 0.00 C ATOM 1074 CE LYS A 71 18.320 1.844 -3.043 1.00 0.00 C ATOM 1075 NZ LYS A 71 17.047 2.604 -2.905 1.00 0.00 N ATOM 0 H LYS A 71 18.859 1.070 -8.029 1.00 0.00 H new ATOM 0 HA LYS A 71 21.107 1.578 -6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 71 18.864 -0.341 -6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 71 20.384 -1.082 -5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 71 19.320 -0.517 -3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 71 20.569 0.694 -4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.904 2.286 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.647 1.072 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.286 0.960 -2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.149 2.458 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.079 3.180 -2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 16.922 3.225 -3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.250 1.939 -2.849 1.00 0.00 H new ATOM 1089 N ARG A 72 22.853 0.064 -7.199 1.00 0.00 N ATOM 1090 CA ARG A 72 23.939 -0.600 -7.911 1.00 0.00 C ATOM 1091 C ARG A 72 24.278 -1.936 -7.260 1.00 0.00 C ATOM 1092 O ARG A 72 24.568 -2.002 -6.065 1.00 0.00 O ATOM 1093 CB ARG A 72 25.179 0.296 -7.942 1.00 0.00 C ATOM 1094 CG ARG A 72 25.770 0.564 -6.567 1.00 0.00 C ATOM 1095 CD ARG A 72 26.840 1.643 -6.621 1.00 0.00 C ATOM 1096 NE ARG A 72 27.498 1.827 -5.331 1.00 0.00 N ATOM 1097 CZ ARG A 72 28.444 2.736 -5.104 1.00 0.00 C ATOM 1098 NH1 ARG A 72 28.845 3.544 -6.077 1.00 0.00 N ATOM 1099 NH2 ARG A 72 28.989 2.839 -3.899 1.00 0.00 N ATOM 0 H ARG A 72 23.116 0.446 -6.291 1.00 0.00 H new ATOM 0 HA ARG A 72 23.610 -0.788 -8.933 1.00 0.00 H new ATOM 0 HB2 ARG A 72 25.938 -0.170 -8.570 1.00 0.00 H new ATOM 0 HB3 ARG A 72 24.919 1.246 -8.408 1.00 0.00 H new ATOM 0 HG2 ARG A 72 24.978 0.869 -5.883 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.199 -0.356 -6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.584 1.378 -7.373 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.390 2.584 -6.936 1.00 0.00 H new ATOM 0 HE ARG A 72 27.217 1.224 -4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 72 28.428 3.471 -7.005 1.00 0.00 H new ATOM 0 HH12 ARG A 72 29.570 4.238 -5.897 1.00 0.00 H new ATOM 0 HH21 ARG A 72 28.683 2.222 -3.147 1.00 0.00 H new ATOM 0 HH22 ARG A 72 29.714 3.535 -3.725 1.00 0.00 H new ATOM 1113 N LYS A 73 24.239 -3.001 -8.055 1.00 0.00 N ATOM 1114 CA LYS A 73 24.543 -4.338 -7.556 1.00 0.00 C ATOM 1115 C LYS A 73 26.050 -4.557 -7.477 1.00 0.00 C ATOM 1116 O LYS A 73 26.833 -3.739 -7.959 1.00 0.00 O ATOM 1117 CB LYS A 73 23.907 -5.398 -8.458 1.00 0.00 C ATOM 1118 CG LYS A 73 23.265 -6.543 -7.693 1.00 0.00 C ATOM 1119 CD LYS A 73 22.685 -7.586 -8.634 1.00 0.00 C ATOM 1120 CE LYS A 73 21.812 -8.585 -7.892 1.00 0.00 C ATOM 1121 NZ LYS A 73 20.606 -8.962 -8.679 1.00 0.00 N ATOM 0 H LYS A 73 24.000 -2.964 -9.046 1.00 0.00 H new ATOM 0 HA LYS A 73 24.127 -4.429 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.153 -4.924 -9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 73 24.670 -5.800 -9.125 1.00 0.00 H new ATOM 0 HG2 LYS A 73 24.006 -7.009 -7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 73 22.477 -6.154 -7.048 1.00 0.00 H new ATOM 0 HD2 LYS A 73 22.097 -7.092 -9.408 1.00 0.00 H new ATOM 0 HD3 LYS A 73 23.495 -8.113 -9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 73 22.394 -9.479 -7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 73 21.504 -8.159 -6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.848 -9.260 -8.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 20.284 -8.144 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 20.841 -9.746 -9.321 1.00 0.00 H new ATOM 1135 N ASP A 74 26.450 -5.667 -6.865 1.00 0.00 N ATOM 1136 CA ASP A 74 27.865 -5.994 -6.723 1.00 0.00 C ATOM 1137 C ASP A 74 28.269 -7.110 -7.681 1.00 0.00 C ATOM 1138 O ASP A 74 29.440 -7.242 -8.035 1.00 0.00 O ATOM 1139 CB ASP A 74 28.173 -6.406 -5.282 1.00 0.00 C ATOM 1140 CG ASP A 74 27.983 -5.264 -4.302 1.00 0.00 C ATOM 1141 OD1 ASP A 74 27.928 -4.099 -4.748 1.00 0.00 O ATOM 1142 OD2 ASP A 74 27.889 -5.537 -3.086 1.00 0.00 O ATOM 0 H ASP A 74 25.815 -6.355 -6.460 1.00 0.00 H new ATOM 0 HA ASP A 74 28.442 -5.103 -6.971 1.00 0.00 H new ATOM 0 HB2 ASP A 74 27.526 -7.236 -4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 74 29.200 -6.766 -5.221 1.00 0.00 H new ATOM 1147 N ASN A 75 27.291 -7.910 -8.097 1.00 0.00 N ATOM 1148 CA ASN A 75 27.536 -9.019 -9.018 1.00 0.00 C ATOM 1149 C ASN A 75 28.204 -10.201 -8.314 1.00 0.00 C ATOM 1150 O ASN A 75 28.495 -11.219 -8.941 1.00 0.00 O ATOM 1151 CB ASN A 75 28.407 -8.562 -10.189 1.00 0.00 C ATOM 1152 CG ASN A 75 28.297 -9.481 -11.389 1.00 0.00 C ATOM 1153 OD1 ASN A 75 27.334 -10.238 -11.519 1.00 0.00 O ATOM 1154 ND2 ASN A 75 29.285 -9.421 -12.274 1.00 0.00 N ATOM 0 H ASN A 75 26.317 -7.811 -7.810 1.00 0.00 H new ATOM 0 HA ASN A 75 26.567 -9.348 -9.393 1.00 0.00 H new ATOM 0 HB2 ASN A 75 28.117 -7.553 -10.481 1.00 0.00 H new ATOM 0 HB3 ASN A 75 29.447 -8.514 -9.867 1.00 0.00 H new ATOM 0 HD21 ASN A 75 29.265 -10.017 -13.102 1.00 0.00 H new ATOM 0 HD22 ASN A 75 30.064 -8.779 -12.126 1.00 0.00 H new ATOM 1161 N GLU A 76 28.445 -10.065 -7.014 1.00 0.00 N ATOM 1162 CA GLU A 76 29.080 -11.126 -6.240 1.00 0.00 C ATOM 1163 C GLU A 76 28.037 -11.967 -5.510 1.00 0.00 C ATOM 1164 O GLU A 76 28.242 -12.375 -4.367 1.00 0.00 O ATOM 1165 CB GLU A 76 30.070 -10.534 -5.236 1.00 0.00 C ATOM 1166 CG GLU A 76 31.217 -9.778 -5.887 1.00 0.00 C ATOM 1167 CD GLU A 76 32.223 -9.259 -4.877 1.00 0.00 C ATOM 1168 OE1 GLU A 76 31.916 -9.279 -3.667 1.00 0.00 O ATOM 1169 OE2 GLU A 76 33.318 -8.831 -5.298 1.00 0.00 O ATOM 0 H GLU A 76 28.211 -9.232 -6.475 1.00 0.00 H new ATOM 0 HA GLU A 76 29.620 -11.771 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 76 29.536 -9.861 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 76 30.477 -11.338 -4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 76 31.724 -10.434 -6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 76 30.817 -8.941 -6.459 1.00 0.00 H new ATOM 1176 N GLY A 77 26.918 -12.223 -6.179 1.00 0.00 N ATOM 1177 CA GLY A 77 25.860 -13.013 -5.580 1.00 0.00 C ATOM 1178 C GLY A 77 25.071 -12.239 -4.543 1.00 0.00 C ATOM 1179 O GLY A 77 24.522 -12.822 -3.608 1.00 0.00 O ATOM 0 H GLY A 77 26.725 -11.897 -7.126 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.184 -13.360 -6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 77 26.292 -13.899 -5.116 1.00 0.00 H new ATOM 1183 N ASN A 78 25.012 -10.921 -4.708 1.00 0.00 N ATOM 1184 CA ASN A 78 24.283 -10.066 -3.779 1.00 0.00 C ATOM 1185 C ASN A 78 22.937 -9.652 -4.361 1.00 0.00 C ATOM 1186 O ASN A 78 22.873 -8.983 -5.392 1.00 0.00 O ATOM 1187 CB ASN A 78 25.109 -8.824 -3.440 1.00 0.00 C ATOM 1188 CG ASN A 78 26.382 -9.163 -2.690 1.00 0.00 C ATOM 1189 OD1 ASN A 78 26.539 -10.272 -2.181 1.00 0.00 O ATOM 1190 ND2 ASN A 78 27.299 -8.205 -2.617 1.00 0.00 N ATOM 0 H ASN A 78 25.460 -10.422 -5.477 1.00 0.00 H new ATOM 0 HA ASN A 78 24.104 -10.635 -2.867 1.00 0.00 H new ATOM 0 HB2 ASN A 78 25.362 -8.297 -4.360 1.00 0.00 H new ATOM 0 HB3 ASN A 78 24.506 -8.143 -2.838 1.00 0.00 H new ATOM 0 HD21 ASN A 78 28.176 -8.375 -2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 78 27.127 -7.300 -3.054 1.00 0.00 H new ATOM 1197 N GLU A 79 21.859 -10.057 -3.694 1.00 0.00 N ATOM 1198 CA GLU A 79 20.512 -9.728 -4.147 1.00 0.00 C ATOM 1199 C GLU A 79 19.661 -9.213 -2.992 1.00 0.00 C ATOM 1200 O GLU A 79 19.385 -9.939 -2.038 1.00 0.00 O ATOM 1201 CB GLU A 79 19.851 -10.956 -4.775 1.00 0.00 C ATOM 1202 CG GLU A 79 20.597 -11.498 -5.984 1.00 0.00 C ATOM 1203 CD GLU A 79 19.878 -12.661 -6.641 1.00 0.00 C ATOM 1204 OE1 GLU A 79 18.935 -13.200 -6.026 1.00 0.00 O ATOM 1205 OE2 GLU A 79 20.262 -13.035 -7.769 1.00 0.00 O ATOM 0 H GLU A 79 21.893 -10.613 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 79 20.588 -8.941 -4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.775 -11.742 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 79 18.834 -10.699 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.729 -10.699 -6.713 1.00 0.00 H new ATOM 0 HG3 GLU A 79 21.593 -11.818 -5.678 1.00 0.00 H new ATOM 1212 N VAL A 80 19.248 -7.953 -3.084 1.00 0.00 N ATOM 1213 CA VAL A 80 18.428 -7.339 -2.045 1.00 0.00 C ATOM 1214 C VAL A 80 16.942 -7.543 -2.324 1.00 0.00 C ATOM 1215 O VAL A 80 16.146 -7.714 -1.401 1.00 0.00 O ATOM 1216 CB VAL A 80 18.712 -5.832 -1.920 1.00 0.00 C ATOM 1217 CG1 VAL A 80 20.096 -5.595 -1.336 1.00 0.00 C ATOM 1218 CG2 VAL A 80 18.572 -5.147 -3.272 1.00 0.00 C ATOM 0 H VAL A 80 19.467 -7.337 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 80 18.690 -7.829 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 80 17.977 -5.399 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.278 -4.523 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.156 -6.049 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.847 -6.043 -1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 80 18.777 -4.082 -3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 80 19.281 -5.583 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.558 -5.285 -3.647 1.00 0.00 H new ATOM 1228 N VAL A 81 16.576 -7.525 -3.601 1.00 0.00 N ATOM 1229 CA VAL A 81 15.186 -7.708 -4.000 1.00 0.00 C ATOM 1230 C VAL A 81 15.043 -7.687 -5.523 1.00 0.00 C ATOM 1231 O VAL A 81 14.421 -6.788 -6.087 1.00 0.00 O ATOM 1232 CB VAL A 81 14.280 -6.620 -3.387 1.00 0.00 C ATOM 1233 CG1 VAL A 81 14.707 -5.237 -3.854 1.00 0.00 C ATOM 1234 CG2 VAL A 81 12.819 -6.881 -3.733 1.00 0.00 C ATOM 0 H VAL A 81 17.223 -7.386 -4.377 1.00 0.00 H new ATOM 0 HA VAL A 81 14.871 -8.682 -3.626 1.00 0.00 H new ATOM 0 HB VAL A 81 14.386 -6.658 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.055 -4.485 -3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.736 -5.051 -3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.637 -5.182 -4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.196 -6.103 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.695 -6.875 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.520 -7.852 -3.339 1.00 0.00 H new ATOM 1244 N PRO A 82 15.625 -8.685 -6.210 1.00 0.00 N ATOM 1245 CA PRO A 82 15.562 -8.780 -7.672 1.00 0.00 C ATOM 1246 C PRO A 82 14.188 -9.221 -8.167 1.00 0.00 C ATOM 1247 O PRO A 82 14.056 -10.253 -8.825 1.00 0.00 O ATOM 1248 CB PRO A 82 16.615 -9.838 -7.999 1.00 0.00 C ATOM 1249 CG PRO A 82 16.666 -10.704 -6.787 1.00 0.00 C ATOM 1250 CD PRO A 82 16.389 -9.799 -5.616 1.00 0.00 C ATOM 0 HA PRO A 82 15.739 -7.818 -8.153 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.340 -10.411 -8.884 1.00 0.00 H new ATOM 0 HB3 PRO A 82 17.584 -9.383 -8.202 1.00 0.00 H new ATOM 0 HG2 PRO A 82 15.926 -11.502 -6.847 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.641 -11.181 -6.689 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.816 -10.310 -4.842 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.312 -9.450 -5.152 1.00 0.00 H new ATOM 1258 N LYS A 83 13.167 -8.430 -7.848 1.00 0.00 N ATOM 1259 CA LYS A 83 11.803 -8.738 -8.261 1.00 0.00 C ATOM 1260 C LYS A 83 10.839 -7.642 -7.813 1.00 0.00 C ATOM 1261 O LYS A 83 11.085 -6.957 -6.820 1.00 0.00 O ATOM 1262 CB LYS A 83 11.363 -10.088 -7.686 1.00 0.00 C ATOM 1263 CG LYS A 83 11.501 -11.240 -8.667 1.00 0.00 C ATOM 1264 CD LYS A 83 10.351 -12.226 -8.533 1.00 0.00 C ATOM 1265 CE LYS A 83 10.766 -13.627 -8.956 1.00 0.00 C ATOM 1266 NZ LYS A 83 11.603 -14.294 -7.922 1.00 0.00 N ATOM 0 H LYS A 83 13.259 -7.572 -7.305 1.00 0.00 H new ATOM 0 HA LYS A 83 11.784 -8.793 -9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.955 -10.305 -6.797 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.323 -10.016 -7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.532 -10.851 -9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.446 -11.755 -8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.005 -12.244 -7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.512 -11.894 -9.145 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.876 -14.227 -9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.320 -13.574 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.724 -15.297 -8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.535 -13.834 -7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.137 -14.218 -6.996 1.00 0.00 H new ATOM 1280 N PRO A 84 9.724 -7.462 -8.542 1.00 0.00 N ATOM 1281 CA PRO A 84 8.722 -6.443 -8.213 1.00 0.00 C ATOM 1282 C PRO A 84 8.252 -6.542 -6.767 1.00 0.00 C ATOM 1283 O PRO A 84 7.814 -7.602 -6.318 1.00 0.00 O ATOM 1284 CB PRO A 84 7.570 -6.751 -9.172 1.00 0.00 C ATOM 1285 CG PRO A 84 8.209 -7.452 -10.320 1.00 0.00 C ATOM 1286 CD PRO A 84 9.354 -8.237 -9.741 1.00 0.00 C ATOM 0 HA PRO A 84 9.119 -5.433 -8.316 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.816 -7.377 -8.696 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.069 -5.838 -9.495 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.498 -8.110 -10.820 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.562 -6.739 -11.065 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.056 -9.254 -9.487 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.185 -8.314 -10.443 1.00 0.00 H new ATOM 1294 N GLN A 85 8.342 -5.433 -6.041 1.00 0.00 N ATOM 1295 CA GLN A 85 7.924 -5.396 -4.645 1.00 0.00 C ATOM 1296 C GLN A 85 6.421 -5.168 -4.538 1.00 0.00 C ATOM 1297 O GLN A 85 5.909 -4.130 -4.953 1.00 0.00 O ATOM 1298 CB GLN A 85 8.675 -4.295 -3.893 1.00 0.00 C ATOM 1299 CG GLN A 85 8.369 -2.895 -4.398 1.00 0.00 C ATOM 1300 CD GLN A 85 9.306 -1.851 -3.822 1.00 0.00 C ATOM 1301 OE1 GLN A 85 9.178 -1.457 -2.662 1.00 0.00 O ATOM 1302 NE2 GLN A 85 10.253 -1.394 -4.633 1.00 0.00 N ATOM 0 H GLN A 85 8.701 -4.547 -6.397 1.00 0.00 H new ATOM 0 HA GLN A 85 8.162 -6.359 -4.193 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.423 -4.353 -2.834 1.00 0.00 H new ATOM 0 HB3 GLN A 85 9.747 -4.476 -3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.440 -2.881 -5.486 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.341 -2.637 -4.142 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.322 -1.749 -5.587 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.911 -0.688 -4.302 1.00 0.00 H new ATOM 1311 N ARG A 86 5.717 -6.149 -3.980 1.00 0.00 N ATOM 1312 CA ARG A 86 4.270 -6.054 -3.822 1.00 0.00 C ATOM 1313 C ARG A 86 3.875 -6.130 -2.352 1.00 0.00 C ATOM 1314 O ARG A 86 4.423 -6.927 -1.590 1.00 0.00 O ATOM 1315 CB ARG A 86 3.578 -7.172 -4.605 1.00 0.00 C ATOM 1316 CG ARG A 86 3.849 -7.126 -6.100 1.00 0.00 C ATOM 1317 CD ARG A 86 3.084 -8.212 -6.838 1.00 0.00 C ATOM 1318 NE ARG A 86 3.467 -8.292 -8.245 1.00 0.00 N ATOM 1319 CZ ARG A 86 4.573 -8.889 -8.681 1.00 0.00 C ATOM 1320 NH1 ARG A 86 5.409 -9.459 -7.821 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.845 -8.917 -9.978 1.00 0.00 N ATOM 0 H ARG A 86 6.124 -7.016 -3.631 1.00 0.00 H new ATOM 0 HA ARG A 86 3.950 -5.089 -4.215 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.907 -8.135 -4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.503 -7.110 -4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.566 -6.149 -6.492 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.917 -7.245 -6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.266 -9.173 -6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.014 -8.016 -6.764 1.00 0.00 H new ATOM 0 HE ARG A 86 2.849 -7.864 -8.935 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.204 -9.440 -6.822 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.256 -9.916 -8.159 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.206 -8.481 -10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.693 -9.375 -10.311 1.00 0.00 H new ATOM 1335 N HIS A 87 2.917 -5.296 -1.960 1.00 0.00 N ATOM 1336 CA HIS A 87 2.444 -5.267 -0.581 1.00 0.00 C ATOM 1337 C HIS A 87 1.012 -5.786 -0.492 1.00 0.00 C ATOM 1338 O HIS A 87 0.090 -5.190 -1.046 1.00 0.00 O ATOM 1339 CB HIS A 87 2.519 -3.845 -0.021 1.00 0.00 C ATOM 1340 CG HIS A 87 3.890 -3.454 0.435 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.202 -3.206 1.756 1.00 0.00 N ATOM 1342 CD2 HIS A 87 5.035 -3.265 -0.261 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.479 -2.881 1.852 1.00 0.00 C ATOM 1344 NE2 HIS A 87 6.007 -2.910 0.642 1.00 0.00 N ATOM 0 H HIS A 87 2.453 -4.631 -2.579 1.00 0.00 H new ATOM 0 HA HIS A 87 3.088 -5.916 0.013 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.186 -3.144 -0.786 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.827 -3.756 0.816 1.00 0.00 H new ATOM 0 HD1 HIS A 87 3.548 -3.264 2.537 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.161 -3.373 -1.328 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.002 -2.634 2.764 1.00 0.00 H new ATOM 1353 N MET A 88 0.834 -6.903 0.207 1.00 0.00 N ATOM 1354 CA MET A 88 -0.487 -7.499 0.366 1.00 0.00 C ATOM 1355 C MET A 88 -1.125 -7.069 1.681 1.00 0.00 C ATOM 1356 O MET A 88 -0.678 -7.460 2.760 1.00 0.00 O ATOM 1357 CB MET A 88 -0.389 -9.026 0.310 1.00 0.00 C ATOM 1358 CG MET A 88 0.040 -9.558 -1.047 1.00 0.00 C ATOM 1359 SD MET A 88 -0.028 -11.358 -1.141 1.00 0.00 S ATOM 1360 CE MET A 88 1.114 -11.809 0.164 1.00 0.00 C ATOM 0 H MET A 88 1.586 -7.412 0.671 1.00 0.00 H new ATOM 0 HA MET A 88 -1.116 -7.150 -0.453 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.321 -9.364 1.065 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.357 -9.454 0.569 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.602 -9.133 -1.819 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.056 -9.225 -1.259 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.414 -12.850 0.041 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.995 -11.169 0.114 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.629 -11.683 1.132 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.175 -6.259 1.586 1.00 0.00 N ATOM 1371 CA PHE A 89 -2.876 -5.774 2.770 1.00 0.00 C ATOM 1372 C PHE A 89 -4.190 -6.516 2.973 1.00 0.00 C ATOM 1373 O PHE A 89 -4.881 -6.851 2.011 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.139 -4.273 2.650 1.00 0.00 C ATOM 1375 CG PHE A 89 -1.909 -3.438 2.832 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.344 -3.284 4.087 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.315 -2.809 1.751 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.208 -2.515 4.260 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.180 -2.040 1.917 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.375 -1.894 3.173 1.00 0.00 C ATOM 0 H PHE A 89 -2.559 -5.925 0.702 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.241 -5.960 3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.570 -4.064 1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.881 -3.981 3.393 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.795 -3.770 4.939 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.744 -2.921 0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.223 -2.400 5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.273 -1.554 1.066 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.264 -1.295 3.305 1.00 0.00 H new ATOM 1390 N SER A 90 -4.533 -6.761 4.233 1.00 0.00 N ATOM 1391 CA SER A 90 -5.771 -7.458 4.569 1.00 0.00 C ATOM 1392 C SER A 90 -6.736 -6.517 5.281 1.00 0.00 C ATOM 1393 O SER A 90 -6.403 -5.937 6.314 1.00 0.00 O ATOM 1394 CB SER A 90 -5.479 -8.677 5.448 1.00 0.00 C ATOM 1395 OG SER A 90 -4.085 -8.918 5.542 1.00 0.00 O ATOM 0 H SER A 90 -3.971 -6.487 5.039 1.00 0.00 H new ATOM 0 HA SER A 90 -6.234 -7.799 3.643 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.891 -8.518 6.444 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.976 -9.555 5.034 1.00 0.00 H new ATOM 0 HG SER A 90 -3.926 -9.701 6.110 1.00 0.00 H new ATOM 1401 N PHE A 91 -7.930 -6.360 4.718 1.00 0.00 N ATOM 1402 CA PHE A 91 -8.933 -5.479 5.296 1.00 0.00 C ATOM 1403 C PHE A 91 -9.983 -6.255 6.071 1.00 0.00 C ATOM 1404 O PHE A 91 -10.346 -7.374 5.708 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.607 -4.665 4.198 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.829 -3.449 3.811 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.801 -3.538 2.888 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.119 -2.221 4.375 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.073 -2.421 2.534 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.396 -1.096 4.025 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.371 -1.197 3.102 1.00 0.00 C ATOM 0 H PHE A 91 -8.224 -6.832 3.863 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.424 -4.812 5.992 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.746 -5.295 3.320 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.599 -4.363 4.534 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.566 -4.492 2.440 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.919 -2.140 5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.272 -2.503 1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.631 -0.141 4.471 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.804 -0.320 2.825 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.479 -5.639 7.135 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.504 -6.251 7.961 1.00 0.00 C ATOM 1423 C ASN A 92 -12.871 -5.643 7.653 1.00 0.00 C ATOM 1424 O ASN A 92 -13.847 -5.909 8.354 1.00 0.00 O ATOM 1425 CB ASN A 92 -11.173 -6.068 9.443 1.00 0.00 C ATOM 1426 CG ASN A 92 -9.871 -6.741 9.831 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -9.354 -7.586 9.102 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.334 -6.370 10.988 1.00 0.00 N ATOM 0 H ASN A 92 -10.185 -4.713 7.445 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.535 -7.317 7.736 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -11.111 -5.004 9.670 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.984 -6.476 10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.459 -6.790 11.302 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.796 -5.665 11.562 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.939 -4.824 6.600 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.195 -4.191 6.220 1.00 0.00 C ATOM 1437 C ASN A 93 -14.159 -3.690 4.781 1.00 0.00 C ATOM 1438 O ASN A 93 -13.193 -3.059 4.355 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.515 -3.034 7.168 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.998 -2.727 7.224 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.360 -1.491 6.901 1.00 0.00 O flip ATOM 1442 ND2 ASN A 93 -16.810 -3.590 7.556 1.00 0.00 N flip ATOM 0 H ASN A 93 -12.146 -4.588 6.004 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.979 -4.945 6.294 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.159 -3.279 8.169 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.974 -2.144 6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.488 -4.528 7.796 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -17.805 -3.368 7.591 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.228 -3.971 4.041 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.331 -3.544 2.652 1.00 0.00 C ATOM 1451 C ARG A 94 -15.365 -2.023 2.563 1.00 0.00 C ATOM 1452 O ARG A 94 -14.741 -1.427 1.686 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.588 -4.133 2.005 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.584 -5.651 1.938 1.00 0.00 C ATOM 1455 CD ARG A 94 -17.783 -6.176 1.165 1.00 0.00 C ATOM 1456 NE ARG A 94 -17.964 -7.614 1.346 1.00 0.00 N ATOM 1457 CZ ARG A 94 -18.838 -8.345 0.656 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -19.609 -7.775 -0.262 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -18.940 -9.647 0.884 1.00 0.00 N ATOM 0 H ARG A 94 -16.035 -4.493 4.382 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.454 -3.908 2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.463 -3.805 2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.688 -3.733 0.996 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.665 -5.993 1.463 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.592 -6.061 2.948 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -18.682 -5.654 1.492 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -17.655 -5.957 0.105 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.387 -8.086 2.042 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.533 -6.774 -0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.277 -8.338 -0.788 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.349 -10.089 1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.609 -10.206 0.355 1.00 0.00 H new ATOM 1473 N THR A 95 -16.094 -1.398 3.480 1.00 0.00 N ATOM 1474 CA THR A 95 -16.205 0.037 3.514 1.00 0.00 C ATOM 1475 C THR A 95 -14.849 0.672 3.767 1.00 0.00 C ATOM 1476 O THR A 95 -14.501 1.689 3.169 1.00 0.00 O ATOM 1477 CB THR A 95 -17.193 0.427 4.603 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.062 -0.653 4.901 1.00 0.00 O ATOM 1479 CG2 THR A 95 -18.051 1.605 4.232 1.00 0.00 C ATOM 0 H THR A 95 -16.618 -1.877 4.212 1.00 0.00 H new ATOM 0 HA THR A 95 -16.565 0.398 2.551 1.00 0.00 H new ATOM 0 HB THR A 95 -16.582 0.696 5.464 1.00 0.00 H new ATOM 0 HG1 THR A 95 -17.696 -1.171 5.648 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.733 1.831 5.052 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.417 2.470 4.039 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.626 1.369 3.336 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.087 0.052 4.651 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.759 0.535 4.985 1.00 0.00 C ATOM 1489 C VAL A 96 -11.795 0.267 3.841 1.00 0.00 C ATOM 1490 O VAL A 96 -10.896 1.062 3.568 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.220 -0.119 6.276 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -10.827 0.400 6.603 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.172 0.130 7.436 1.00 0.00 C ATOM 0 H VAL A 96 -14.367 -0.791 5.152 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.838 1.609 5.154 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.151 -1.194 6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.467 -0.074 7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.150 0.166 5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.865 1.480 6.746 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.777 -0.338 8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.274 1.203 7.599 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.148 -0.297 7.204 1.00 0.00 H new ATOM 1503 N MET A 97 -11.999 -0.855 3.169 1.00 0.00 N ATOM 1504 CA MET A 97 -11.156 -1.230 2.041 1.00 0.00 C ATOM 1505 C MET A 97 -11.513 -0.398 0.813 1.00 0.00 C ATOM 1506 O MET A 97 -10.650 -0.079 -0.005 1.00 0.00 O ATOM 1507 CB MET A 97 -11.284 -2.734 1.748 1.00 0.00 C ATOM 1508 CG MET A 97 -12.278 -3.088 0.649 1.00 0.00 C ATOM 1509 SD MET A 97 -12.294 -4.849 0.269 1.00 0.00 S ATOM 1510 CE MET A 97 -10.640 -5.071 -0.379 1.00 0.00 C ATOM 0 H MET A 97 -12.740 -1.522 3.384 1.00 0.00 H new ATOM 0 HA MET A 97 -10.116 -1.026 2.298 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.303 -3.121 1.470 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.580 -3.245 2.664 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.277 -2.777 0.954 1.00 0.00 H new ATOM 0 HG3 MET A 97 -12.031 -2.528 -0.253 1.00 0.00 H new ATOM 0 HE1 MET A 97 -10.615 -5.954 -1.018 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.356 -4.194 -0.961 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.940 -5.200 0.447 1.00 0.00 H new ATOM 1520 N ASP A 98 -12.789 -0.043 0.695 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.255 0.756 -0.426 1.00 0.00 C ATOM 1522 C ASP A 98 -12.900 2.223 -0.230 1.00 0.00 C ATOM 1523 O ASP A 98 -12.704 2.963 -1.195 1.00 0.00 O ATOM 1524 CB ASP A 98 -14.765 0.599 -0.604 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.273 1.274 -1.863 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -15.199 0.650 -2.942 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -15.744 2.428 -1.770 1.00 0.00 O ATOM 0 H ASP A 98 -13.516 -0.298 1.363 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.756 0.398 -1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.016 -0.461 -0.637 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.276 1.020 0.262 1.00 0.00 H new ATOM 1532 N ASN A 99 -12.813 2.637 1.028 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.478 4.014 1.358 1.00 0.00 C ATOM 1534 C ASN A 99 -11.010 4.294 1.071 1.00 0.00 C ATOM 1535 O ASN A 99 -10.636 5.405 0.697 1.00 0.00 O ATOM 1536 CB ASN A 99 -12.792 4.305 2.826 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.280 4.415 3.090 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -15.076 4.577 2.165 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -14.665 4.327 4.358 1.00 0.00 N ATOM 0 H ASN A 99 -12.970 2.036 1.837 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.085 4.670 0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.373 3.513 3.448 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.304 5.234 3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.655 4.394 4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.971 4.193 5.093 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.187 3.272 1.248 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.754 3.386 1.010 1.00 0.00 C ATOM 1548 C ILE A 100 -8.423 3.132 -0.457 1.00 0.00 C ATOM 1549 O ILE A 100 -7.632 3.856 -1.061 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.962 2.394 1.886 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.273 2.620 3.367 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.467 2.521 1.624 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.690 3.902 3.925 1.00 0.00 C ATOM 0 H ILE A 100 -10.488 2.348 1.558 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.464 4.403 1.274 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.269 1.382 1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.354 2.634 3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.890 1.777 3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.926 1.813 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.262 2.307 0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.142 3.535 1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.953 3.993 4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.605 3.884 3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.092 4.754 3.376 1.00 0.00 H new ATOM 1565 N LYS A 101 -9.032 2.095 -1.023 1.00 0.00 N ATOM 1566 CA LYS A 101 -8.801 1.740 -2.419 1.00 0.00 C ATOM 1567 C LYS A 101 -9.153 2.899 -3.346 1.00 0.00 C ATOM 1568 O LYS A 101 -8.443 3.171 -4.312 1.00 0.00 O ATOM 1569 CB LYS A 101 -9.624 0.505 -2.794 1.00 0.00 C ATOM 1570 CG LYS A 101 -9.350 -0.002 -4.200 1.00 0.00 C ATOM 1571 CD LYS A 101 -10.160 -1.252 -4.507 1.00 0.00 C ATOM 1572 CE LYS A 101 -11.633 -0.928 -4.698 1.00 0.00 C ATOM 1573 NZ LYS A 101 -11.857 -0.023 -5.859 1.00 0.00 N ATOM 0 H LYS A 101 -9.689 1.486 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.741 1.515 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.413 -0.292 -2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.684 0.743 -2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.592 0.777 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.287 -0.219 -4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.771 -1.727 -5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.046 -1.969 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.192 -1.852 -4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.022 -0.461 -3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.848 -0.092 -6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.648 0.957 -5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.231 -0.301 -6.642 1.00 0.00 H new ATOM 1587 N MET A 102 -10.257 3.578 -3.047 1.00 0.00 N ATOM 1588 CA MET A 102 -10.702 4.703 -3.859 1.00 0.00 C ATOM 1589 C MET A 102 -9.804 5.913 -3.658 1.00 0.00 C ATOM 1590 O MET A 102 -9.498 6.639 -4.604 1.00 0.00 O ATOM 1591 CB MET A 102 -12.152 5.063 -3.527 1.00 0.00 C ATOM 1592 CG MET A 102 -13.140 3.952 -3.840 1.00 0.00 C ATOM 1593 SD MET A 102 -13.914 4.148 -5.456 1.00 0.00 S ATOM 1594 CE MET A 102 -15.032 5.508 -5.132 1.00 0.00 C ATOM 0 H MET A 102 -10.858 3.368 -2.250 1.00 0.00 H new ATOM 0 HA MET A 102 -10.643 4.404 -4.905 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.222 5.313 -2.468 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.433 5.956 -4.085 1.00 0.00 H new ATOM 0 HG2 MET A 102 -12.626 2.992 -3.802 1.00 0.00 H new ATOM 0 HG3 MET A 102 -13.913 3.931 -3.071 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.796 5.544 -5.909 1.00 0.00 H new ATOM 0 HE2 MET A 102 -15.507 5.365 -4.162 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.474 6.444 -5.128 1.00 0.00 H new ATOM 1604 N THR A 103 -9.382 6.120 -2.424 1.00 0.00 N ATOM 1605 CA THR A 103 -8.513 7.236 -2.093 1.00 0.00 C ATOM 1606 C THR A 103 -7.112 6.984 -2.638 1.00 0.00 C ATOM 1607 O THR A 103 -6.442 7.902 -3.110 1.00 0.00 O ATOM 1608 CB THR A 103 -8.491 7.455 -0.573 1.00 0.00 C ATOM 1609 OG1 THR A 103 -9.287 8.573 -0.220 1.00 0.00 O ATOM 1610 CG2 THR A 103 -7.108 7.684 0.002 1.00 0.00 C ATOM 0 H THR A 103 -9.628 5.528 -1.631 1.00 0.00 H new ATOM 0 HA THR A 103 -8.898 8.144 -2.557 1.00 0.00 H new ATOM 0 HB THR A 103 -8.882 6.528 -0.153 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.264 8.698 0.752 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.182 7.830 1.080 1.00 0.00 H new ATOM 0 HG22 THR A 103 -6.480 6.818 -0.205 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.666 8.570 -0.455 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.683 5.729 -2.580 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.370 5.352 -3.079 1.00 0.00 C ATOM 1620 C LEU A 104 -5.322 5.489 -4.595 1.00 0.00 C ATOM 1621 O LEU A 104 -4.278 5.802 -5.165 1.00 0.00 O ATOM 1622 CB LEU A 104 -5.035 3.915 -2.673 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.533 3.748 -1.238 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.289 2.280 -0.925 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.263 4.557 -1.021 1.00 0.00 C ATOM 0 H LEU A 104 -7.226 4.957 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.630 6.021 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.925 3.300 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.277 3.528 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.300 4.121 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.932 2.181 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.219 1.724 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.540 1.882 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.920 4.427 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.490 4.213 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.468 5.612 -1.204 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.462 5.257 -5.242 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.548 5.360 -6.692 1.00 0.00 C ATOM 1639 C GLN A 105 -6.342 6.796 -7.146 1.00 0.00 C ATOM 1640 O GLN A 105 -5.742 7.050 -8.191 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.900 4.841 -7.189 1.00 0.00 C ATOM 1642 CG GLN A 105 -8.076 3.340 -7.024 1.00 0.00 C ATOM 1643 CD GLN A 105 -8.076 2.604 -8.350 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -7.043 2.100 -8.794 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -9.237 2.539 -8.991 1.00 0.00 N ATOM 0 H GLN A 105 -7.336 4.997 -4.784 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.757 4.745 -7.120 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.697 5.353 -6.649 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.013 5.098 -8.242 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.274 2.951 -6.396 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.013 3.143 -6.503 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -10.068 2.971 -8.586 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -9.298 2.057 -9.888 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.837 7.732 -6.351 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.700 9.145 -6.670 1.00 0.00 C ATOM 1656 C GLN A 106 -5.236 9.548 -6.660 1.00 0.00 C ATOM 1657 O GLN A 106 -4.778 10.286 -7.532 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.493 9.999 -5.679 1.00 0.00 C ATOM 1659 CG GLN A 106 -8.989 9.728 -5.702 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.607 9.988 -7.061 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.396 11.042 -7.662 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -10.377 9.025 -7.554 1.00 0.00 N ATOM 0 H GLN A 106 -7.336 7.540 -5.482 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.102 9.314 -7.669 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.115 9.818 -4.673 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.320 11.052 -5.900 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.171 8.692 -5.416 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.480 10.355 -4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.525 8.167 -7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.821 9.143 -8.465 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.495 9.045 -5.677 1.00 0.00 N ATOM 1672 CA ILE A 107 -3.075 9.340 -5.572 1.00 0.00 C ATOM 1673 C ILE A 107 -2.360 8.915 -6.850 1.00 0.00 C ATOM 1674 O ILE A 107 -1.534 9.649 -7.390 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.448 8.623 -4.361 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -3.119 9.093 -3.068 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.949 8.869 -4.306 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.808 8.218 -1.874 1.00 0.00 C ATOM 0 H ILE A 107 -4.856 8.433 -4.945 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.961 10.415 -5.431 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.610 7.551 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.801 10.113 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.198 9.120 -3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.527 8.354 -3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.485 8.492 -5.217 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.759 9.939 -4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.316 8.610 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.151 7.202 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.732 8.211 -1.699 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.709 7.730 -7.337 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.130 7.201 -8.570 1.00 0.00 C ATOM 1692 C ILE A 108 -2.259 8.215 -9.686 1.00 0.00 C ATOM 1693 O ILE A 108 -1.290 8.565 -10.360 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.842 5.913 -9.023 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -3.123 4.989 -7.839 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -2.022 5.204 -10.083 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.961 4.847 -6.881 1.00 0.00 C ATOM 0 H ILE A 108 -3.392 7.114 -6.896 1.00 0.00 H new ATOM 0 HA ILE A 108 -1.082 6.984 -8.362 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.803 6.190 -9.457 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.987 5.368 -7.293 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.392 4.003 -8.217 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.537 4.295 -10.394 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.893 5.861 -10.943 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.045 4.946 -9.675 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.239 4.176 -6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.101 4.438 -7.411 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.705 5.824 -6.472 1.00 0.00 H new ATOM 1709 N SER A 109 -3.482 8.669 -9.866 1.00 0.00 N ATOM 1710 CA SER A 109 -3.805 9.647 -10.899 1.00 0.00 C ATOM 1711 C SER A 109 -2.911 10.878 -10.796 1.00 0.00 C ATOM 1712 O SER A 109 -2.623 11.534 -11.796 1.00 0.00 O ATOM 1713 CB SER A 109 -5.275 10.059 -10.800 1.00 0.00 C ATOM 1714 OG SER A 109 -6.127 8.929 -10.864 1.00 0.00 O ATOM 0 H SER A 109 -4.282 8.375 -9.305 1.00 0.00 H new ATOM 0 HA SER A 109 -3.628 9.179 -11.867 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.444 10.593 -9.865 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.518 10.748 -11.609 1.00 0.00 H new ATOM 0 HG SER A 109 -7.061 9.219 -10.797 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.480 11.184 -9.581 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.622 12.337 -9.346 1.00 0.00 C ATOM 1722 C ARG A 110 -0.224 12.095 -9.896 1.00 0.00 C ATOM 1723 O ARG A 110 0.436 13.017 -10.377 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.552 12.663 -7.854 1.00 0.00 C ATOM 1725 CG ARG A 110 -2.900 13.004 -7.242 1.00 0.00 C ATOM 1726 CD ARG A 110 -2.753 13.521 -5.821 1.00 0.00 C ATOM 1727 NE ARG A 110 -4.046 13.704 -5.167 1.00 0.00 N ATOM 1728 CZ ARG A 110 -4.236 14.483 -4.104 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -3.221 15.149 -3.570 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -5.447 14.595 -3.573 1.00 0.00 N ATOM 0 H ARG A 110 -2.710 10.650 -8.743 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.056 13.189 -9.869 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.127 11.811 -7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.872 13.502 -7.705 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.399 13.756 -7.854 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.536 12.119 -7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.150 12.822 -5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.216 14.470 -5.834 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.851 13.206 -5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.288 15.066 -3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.373 15.744 -2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.231 14.085 -3.979 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.594 15.191 -2.759 1.00 0.00 H new ATOM 1744 N TYR A 111 0.220 10.850 -9.825 1.00 0.00 N ATOM 1745 CA TYR A 111 1.540 10.483 -10.322 1.00 0.00 C ATOM 1746 C TYR A 111 1.578 10.545 -11.843 1.00 0.00 C ATOM 1747 O TYR A 111 2.623 10.794 -12.442 1.00 0.00 O ATOM 1748 CB TYR A 111 1.924 9.084 -9.841 1.00 0.00 C ATOM 1749 CG TYR A 111 2.286 9.029 -8.374 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.485 9.562 -7.916 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.431 8.446 -7.450 1.00 0.00 C ATOM 1752 CE1 TYR A 111 3.819 9.514 -6.576 1.00 0.00 C ATOM 1753 CE2 TYR A 111 1.758 8.394 -6.108 1.00 0.00 C ATOM 1754 CZ TYR A 111 2.952 8.929 -5.676 1.00 0.00 C ATOM 1755 OH TYR A 111 3.282 8.880 -4.341 1.00 0.00 O ATOM 0 H TYR A 111 -0.313 10.076 -9.429 1.00 0.00 H new ATOM 0 HA TYR A 111 2.263 11.198 -9.928 1.00 0.00 H new ATOM 0 HB2 TYR A 111 1.093 8.403 -10.028 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.769 8.725 -10.429 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.166 10.021 -8.618 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.494 8.026 -7.785 1.00 0.00 H new ATOM 0 HE1 TYR A 111 4.754 9.932 -6.235 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.081 7.936 -5.402 1.00 0.00 H new ATOM 0 HH TYR A 111 2.948 9.684 -3.892 1.00 0.00 H new ATOM 1765 N LYS A 112 0.425 10.321 -12.459 1.00 0.00 N ATOM 1766 CA LYS A 112 0.311 10.355 -13.910 1.00 0.00 C ATOM 1767 C LYS A 112 0.475 11.778 -14.432 1.00 0.00 C ATOM 1768 O LYS A 112 1.035 11.996 -15.506 1.00 0.00 O ATOM 1769 CB LYS A 112 -1.039 9.789 -14.352 1.00 0.00 C ATOM 1770 CG LYS A 112 -1.289 8.367 -13.873 1.00 0.00 C ATOM 1771 CD LYS A 112 -0.266 7.397 -14.442 1.00 0.00 C ATOM 1772 CE LYS A 112 0.638 6.836 -13.354 1.00 0.00 C ATOM 1773 NZ LYS A 112 1.132 5.472 -13.690 1.00 0.00 N ATOM 0 H LYS A 112 -0.448 10.113 -11.974 1.00 0.00 H new ATOM 0 HA LYS A 112 1.107 9.738 -14.327 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.834 10.434 -13.979 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.095 9.812 -15.440 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.253 8.338 -12.784 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.291 8.054 -14.167 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.780 6.579 -14.946 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.339 7.904 -15.193 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.487 7.504 -13.208 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.093 6.802 -12.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.744 5.126 -12.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.323 4.828 -13.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.674 5.508 -14.577 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.016 12.745 -13.662 1.00 0.00 N ATOM 1788 CA ASP A 113 0.076 14.149 -14.046 1.00 0.00 C ATOM 1789 C ASP A 113 1.530 14.571 -14.223 1.00 0.00 C ATOM 1790 O ASP A 113 1.857 15.351 -15.117 1.00 0.00 O ATOM 1791 CB ASP A 113 -0.599 15.032 -12.995 1.00 0.00 C ATOM 1792 CG ASP A 113 -0.726 16.476 -13.446 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -0.555 16.738 -14.654 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -0.996 17.343 -12.588 1.00 0.00 O ATOM 0 H ASP A 113 -0.481 12.582 -12.769 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.438 14.273 -14.999 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.590 14.635 -12.773 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.025 14.993 -12.069 1.00 0.00 H new ATOM 1799 N ALA A 114 2.400 14.049 -13.365 1.00 0.00 N ATOM 1800 CA ALA A 114 3.820 14.371 -13.426 1.00 0.00 C ATOM 1801 C ALA A 114 4.425 13.935 -14.756 1.00 0.00 C ATOM 1802 O ALA A 114 5.345 14.572 -15.269 1.00 0.00 O ATOM 1803 CB ALA A 114 4.559 13.718 -12.268 1.00 0.00 C ATOM 0 H ALA A 114 2.146 13.401 -12.619 1.00 0.00 H new ATOM 0 HA ALA A 114 3.926 15.453 -13.346 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.619 13.967 -12.326 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.152 14.082 -11.325 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.437 12.636 -12.322 1.00 0.00 H new ATOM 1809 N ASP A 115 3.902 12.840 -15.307 1.00 0.00 N ATOM 1810 CA ASP A 115 4.380 12.305 -16.582 1.00 0.00 C ATOM 1811 C ASP A 115 5.907 12.303 -16.646 1.00 0.00 C ATOM 1812 O ASP A 115 6.451 12.218 -17.768 1.00 0.00 O ATOM 1813 CB ASP A 115 3.807 13.111 -17.749 1.00 0.00 C ATOM 1814 CG ASP A 115 4.277 14.552 -17.753 1.00 0.00 C ATOM 1815 OD1 ASP A 115 5.507 14.776 -17.755 1.00 0.00 O ATOM 1816 OD2 ASP A 115 3.418 15.457 -17.753 1.00 0.00 O ATOM 1817 OXT ASP A 115 6.544 12.385 -15.575 1.00 0.00 O ATOM 0 H ASP A 115 3.143 12.303 -14.888 1.00 0.00 H new ATOM 0 HA ASP A 115 4.035 11.274 -16.659 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.094 12.637 -18.688 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.718 13.089 -17.700 1.00 0.00 H new TER 1822 ASP A 115