USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 629 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 40 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0024 X(o=-0.0024,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0497 X(o=-0.05,f=-0.011) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 97:sc= 0.499 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0831 X(o=-0.083,f=-0.083) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc=-0.00346 K(o=-0.0035,f=-1.8!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0214 K(o=-0.021,f=-0.73) USER MOD Single : A 56 HIS : no HE2:sc= 0.741 K(o=0.74,f=-2.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0302 X(o=-0.03,f=-0.03) USER MOD Single : A 73 THR OG1 : rot 69:sc= 0.808 USER MOD Single : A 75 ASN : amide:sc= -0.38 K(o=-0.38,f=-1.6) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 75:sc= 0.0134 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0046) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.472 -1.050 -2.034 1.00 0.00 N ATOM 2 CA MET A 1 27.503 -0.187 -2.758 1.00 0.00 C ATOM 3 C MET A 1 26.062 -0.518 -2.357 1.00 0.00 C ATOM 4 O MET A 1 25.429 0.296 -1.685 1.00 0.00 O ATOM 5 CB MET A 1 27.731 -0.216 -4.286 1.00 0.00 C ATOM 6 CG MET A 1 26.974 0.898 -5.022 1.00 0.00 C ATOM 7 SD MET A 1 27.443 2.583 -4.526 1.00 0.00 S ATOM 8 CE MET A 1 26.513 3.544 -5.752 1.00 0.00 C ATOM 0 H1 MET A 1 29.440 -0.805 -2.324 1.00 0.00 H new ATOM 0 H2 MET A 1 28.370 -0.903 -1.010 1.00 0.00 H new ATOM 0 H3 MET A 1 28.285 -2.048 -2.261 1.00 0.00 H new ATOM 0 HA MET A 1 27.681 0.845 -2.455 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.797 -0.121 -4.491 1.00 0.00 H new ATOM 0 HB3 MET A 1 27.416 -1.183 -4.677 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.143 0.788 -6.093 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.905 0.767 -4.852 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.689 4.607 -5.590 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.842 3.270 -6.754 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.449 3.333 -5.649 1.00 0.00 H new ATOM 20 N HIS A 2 25.533 -1.696 -2.723 1.00 0.00 N ATOM 21 CA HIS A 2 24.157 -2.124 -2.414 1.00 0.00 C ATOM 22 C HIS A 2 24.087 -3.065 -1.197 1.00 0.00 C ATOM 23 O HIS A 2 24.966 -3.911 -1.001 1.00 0.00 O ATOM 24 CB HIS A 2 23.560 -2.805 -3.657 1.00 0.00 C ATOM 25 CG HIS A 2 23.561 -1.929 -4.889 1.00 0.00 C ATOM 26 ND1 HIS A 2 23.017 -0.666 -4.988 1.00 0.00 N ATOM 27 CD2 HIS A 2 24.114 -2.240 -6.103 1.00 0.00 C ATOM 28 CE1 HIS A 2 23.238 -0.219 -6.237 1.00 0.00 C ATOM 29 NE2 HIS A 2 23.906 -1.145 -6.952 1.00 0.00 N ATOM 0 H HIS A 2 26.059 -2.392 -3.252 1.00 0.00 H new ATOM 0 HA HIS A 2 23.578 -1.239 -2.150 1.00 0.00 H new ATOM 0 HB2 HIS A 2 24.123 -3.714 -3.868 1.00 0.00 H new ATOM 0 HB3 HIS A 2 22.536 -3.108 -3.438 1.00 0.00 H new ATOM 0 HD2 HIS A 2 24.618 -3.160 -6.359 1.00 0.00 H new ATOM 0 HE1 HIS A 2 22.925 0.744 -6.613 1.00 0.00 H new ATOM 0 HE2 HIS A 2 24.203 -1.064 -7.924 1.00 0.00 H new ATOM 37 N HIS A 3 23.029 -2.931 -0.392 1.00 0.00 N ATOM 38 CA HIS A 3 22.718 -3.753 0.788 1.00 0.00 C ATOM 39 C HIS A 3 21.219 -3.673 1.152 1.00 0.00 C ATOM 40 O HIS A 3 20.528 -2.728 0.758 1.00 0.00 O ATOM 41 CB HIS A 3 23.588 -3.293 1.976 1.00 0.00 C ATOM 42 CG HIS A 3 23.534 -1.809 2.267 1.00 0.00 C ATOM 43 ND1 HIS A 3 24.463 -0.875 1.861 1.00 0.00 N ATOM 44 CD2 HIS A 3 22.563 -1.149 2.973 1.00 0.00 C ATOM 45 CE1 HIS A 3 24.060 0.329 2.304 1.00 0.00 C ATOM 46 NE2 HIS A 3 22.909 0.211 2.988 1.00 0.00 N ATOM 0 H HIS A 3 22.327 -2.208 -0.552 1.00 0.00 H new ATOM 0 HA HIS A 3 22.942 -4.794 0.555 1.00 0.00 H new ATOM 0 HB2 HIS A 3 23.275 -3.835 2.868 1.00 0.00 H new ATOM 0 HB3 HIS A 3 24.623 -3.573 1.780 1.00 0.00 H new ATOM 0 HD2 HIS A 3 21.693 -1.593 3.433 1.00 0.00 H new ATOM 0 HE1 HIS A 3 24.586 1.257 2.135 1.00 0.00 H new ATOM 0 HE2 HIS A 3 22.387 0.966 3.433 1.00 0.00 H new ATOM 54 N HIS A 4 20.733 -4.628 1.953 1.00 0.00 N ATOM 55 CA HIS A 4 19.367 -4.670 2.503 1.00 0.00 C ATOM 56 C HIS A 4 19.387 -5.076 3.991 1.00 0.00 C ATOM 57 O HIS A 4 19.017 -6.194 4.360 1.00 0.00 O ATOM 58 CB HIS A 4 18.476 -5.590 1.646 1.00 0.00 C ATOM 59 CG HIS A 4 18.164 -5.042 0.274 1.00 0.00 C ATOM 60 ND1 HIS A 4 17.344 -3.969 -0.001 1.00 0.00 N ATOM 61 CD2 HIS A 4 18.619 -5.533 -0.920 1.00 0.00 C ATOM 62 CE1 HIS A 4 17.311 -3.805 -1.334 1.00 0.00 C ATOM 63 NE2 HIS A 4 18.071 -4.738 -1.937 1.00 0.00 N ATOM 0 H HIS A 4 21.299 -5.424 2.249 1.00 0.00 H new ATOM 0 HA HIS A 4 18.932 -3.671 2.461 1.00 0.00 H new ATOM 0 HB2 HIS A 4 18.969 -6.556 1.536 1.00 0.00 H new ATOM 0 HB3 HIS A 4 17.540 -5.768 2.176 1.00 0.00 H new ATOM 0 HD2 HIS A 4 19.279 -6.377 -1.054 1.00 0.00 H new ATOM 0 HE1 HIS A 4 16.755 -3.035 -1.848 1.00 0.00 H new ATOM 0 HE2 HIS A 4 18.220 -4.846 -2.940 1.00 0.00 H new ATOM 71 N HIS A 5 19.834 -4.152 4.851 1.00 0.00 N ATOM 72 CA HIS A 5 19.887 -4.295 6.313 1.00 0.00 C ATOM 73 C HIS A 5 19.453 -3.001 7.029 1.00 0.00 C ATOM 74 O HIS A 5 19.520 -1.903 6.465 1.00 0.00 O ATOM 75 CB HIS A 5 21.313 -4.693 6.741 1.00 0.00 C ATOM 76 CG HIS A 5 21.774 -6.027 6.203 1.00 0.00 C ATOM 77 ND1 HIS A 5 21.345 -7.267 6.625 1.00 0.00 N ATOM 78 CD2 HIS A 5 22.697 -6.223 5.211 1.00 0.00 C ATOM 79 CE1 HIS A 5 21.987 -8.196 5.895 1.00 0.00 C ATOM 80 NE2 HIS A 5 22.823 -7.606 5.020 1.00 0.00 N ATOM 0 H HIS A 5 20.183 -3.247 4.535 1.00 0.00 H new ATOM 0 HA HIS A 5 19.186 -5.078 6.604 1.00 0.00 H new ATOM 0 HB2 HIS A 5 22.008 -3.921 6.410 1.00 0.00 H new ATOM 0 HB3 HIS A 5 21.359 -4.718 7.830 1.00 0.00 H new ATOM 0 HD2 HIS A 5 23.231 -5.453 4.674 1.00 0.00 H new ATOM 0 HE1 HIS A 5 21.851 -9.263 5.996 1.00 0.00 H new ATOM 0 HE2 HIS A 5 23.431 -8.075 4.348 1.00 0.00 H new ATOM 88 N HIS A 6 19.033 -3.123 8.291 1.00 0.00 N ATOM 89 CA HIS A 6 18.625 -2.007 9.152 1.00 0.00 C ATOM 90 C HIS A 6 19.837 -1.155 9.586 1.00 0.00 C ATOM 91 O HIS A 6 20.726 -1.644 10.289 1.00 0.00 O ATOM 92 CB HIS A 6 17.871 -2.554 10.375 1.00 0.00 C ATOM 93 CG HIS A 6 16.631 -3.342 10.023 1.00 0.00 C ATOM 94 ND1 HIS A 6 15.416 -2.816 9.635 1.00 0.00 N ATOM 95 CD2 HIS A 6 16.512 -4.707 10.025 1.00 0.00 C ATOM 96 CE1 HIS A 6 14.579 -3.843 9.404 1.00 0.00 C ATOM 97 NE2 HIS A 6 15.203 -5.014 9.627 1.00 0.00 N ATOM 0 H HIS A 6 18.965 -4.028 8.757 1.00 0.00 H new ATOM 0 HA HIS A 6 17.962 -1.354 8.585 1.00 0.00 H new ATOM 0 HB2 HIS A 6 18.544 -3.190 10.950 1.00 0.00 H new ATOM 0 HB3 HIS A 6 17.590 -1.721 11.020 1.00 0.00 H new ATOM 0 HD2 HIS A 6 17.284 -5.416 10.285 1.00 0.00 H new ATOM 0 HE1 HIS A 6 13.552 -3.742 9.085 1.00 0.00 H new ATOM 0 HE2 HIS A 6 14.801 -5.946 9.526 1.00 0.00 H new ATOM 105 N HIS A 7 19.872 0.117 9.172 1.00 0.00 N ATOM 106 CA HIS A 7 20.931 1.086 9.511 1.00 0.00 C ATOM 107 C HIS A 7 20.471 2.200 10.474 1.00 0.00 C ATOM 108 O HIS A 7 21.304 2.851 11.109 1.00 0.00 O ATOM 109 CB HIS A 7 21.500 1.682 8.213 1.00 0.00 C ATOM 110 CG HIS A 7 20.523 2.563 7.470 1.00 0.00 C ATOM 111 ND1 HIS A 7 19.613 2.148 6.521 1.00 0.00 N ATOM 112 CD2 HIS A 7 20.365 3.913 7.638 1.00 0.00 C ATOM 113 CE1 HIS A 7 18.913 3.227 6.126 1.00 0.00 C ATOM 114 NE2 HIS A 7 19.338 4.325 6.777 1.00 0.00 N ATOM 0 H HIS A 7 19.147 0.515 8.576 1.00 0.00 H new ATOM 0 HA HIS A 7 21.706 0.543 10.051 1.00 0.00 H new ATOM 0 HB2 HIS A 7 22.391 2.263 8.450 1.00 0.00 H new ATOM 0 HB3 HIS A 7 21.814 0.870 7.558 1.00 0.00 H new ATOM 0 HD2 HIS A 7 20.928 4.544 8.310 1.00 0.00 H new ATOM 0 HE1 HIS A 7 18.122 3.214 5.391 1.00 0.00 H new ATOM 0 HE2 HIS A 7 18.982 5.274 6.666 1.00 0.00 H new ATOM 122 N SER A 8 19.157 2.404 10.612 1.00 0.00 N ATOM 123 CA SER A 8 18.508 3.332 11.547 1.00 0.00 C ATOM 124 C SER A 8 17.482 2.603 12.427 1.00 0.00 C ATOM 125 O SER A 8 16.985 1.526 12.080 1.00 0.00 O ATOM 126 CB SER A 8 17.848 4.489 10.779 1.00 0.00 C ATOM 127 OG SER A 8 16.860 4.016 9.874 1.00 0.00 O ATOM 0 H SER A 8 18.479 1.898 10.043 1.00 0.00 H new ATOM 0 HA SER A 8 19.273 3.745 12.204 1.00 0.00 H new ATOM 0 HB2 SER A 8 17.393 5.184 11.485 1.00 0.00 H new ATOM 0 HB3 SER A 8 18.609 5.044 10.231 1.00 0.00 H new ATOM 0 HG SER A 8 16.458 4.775 9.403 1.00 0.00 H new ATOM 133 N SER A 9 17.167 3.188 13.582 1.00 0.00 N ATOM 134 CA SER A 9 16.206 2.668 14.567 1.00 0.00 C ATOM 135 C SER A 9 15.637 3.791 15.450 1.00 0.00 C ATOM 136 O SER A 9 16.110 4.932 15.416 1.00 0.00 O ATOM 137 CB SER A 9 16.871 1.580 15.428 1.00 0.00 C ATOM 138 OG SER A 9 17.989 2.089 16.144 1.00 0.00 O ATOM 0 H SER A 9 17.587 4.071 13.873 1.00 0.00 H new ATOM 0 HA SER A 9 15.370 2.228 14.024 1.00 0.00 H new ATOM 0 HB2 SER A 9 16.142 1.175 16.130 1.00 0.00 H new ATOM 0 HB3 SER A 9 17.191 0.756 14.790 1.00 0.00 H new ATOM 0 HG SER A 9 18.387 1.373 16.682 1.00 0.00 H new ATOM 144 N GLY A 10 14.616 3.476 16.251 1.00 0.00 N ATOM 145 CA GLY A 10 13.976 4.413 17.179 1.00 0.00 C ATOM 146 C GLY A 10 12.855 3.784 18.009 1.00 0.00 C ATOM 147 O GLY A 10 12.521 2.607 17.850 1.00 0.00 O ATOM 0 H GLY A 10 14.202 2.544 16.273 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.732 4.818 17.852 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.571 5.252 16.613 1.00 0.00 H new ATOM 151 N LEU A 11 12.283 4.586 18.911 1.00 0.00 N ATOM 152 CA LEU A 11 11.276 4.185 19.908 1.00 0.00 C ATOM 153 C LEU A 11 10.114 5.195 20.068 1.00 0.00 C ATOM 154 O LEU A 11 9.375 5.150 21.053 1.00 0.00 O ATOM 155 CB LEU A 11 11.991 3.807 21.231 1.00 0.00 C ATOM 156 CG LEU A 11 13.083 4.765 21.757 1.00 0.00 C ATOM 157 CD1 LEU A 11 12.588 6.190 22.012 1.00 0.00 C ATOM 158 CD2 LEU A 11 13.654 4.216 23.065 1.00 0.00 C ATOM 0 H LEU A 11 12.517 5.577 18.972 1.00 0.00 H new ATOM 0 HA LEU A 11 10.761 3.296 19.543 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.231 3.707 22.006 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.443 2.824 21.099 1.00 0.00 H new ATOM 0 HG LEU A 11 13.838 4.820 20.973 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.412 6.801 22.379 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.207 6.615 21.083 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.791 6.171 22.755 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.425 4.891 23.437 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.857 4.133 23.804 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.088 3.232 22.888 1.00 0.00 H new ATOM 170 N VAL A 12 9.941 6.109 19.101 1.00 0.00 N ATOM 171 CA VAL A 12 8.883 7.140 19.073 1.00 0.00 C ATOM 172 C VAL A 12 8.222 7.246 17.680 1.00 0.00 C ATOM 173 O VAL A 12 8.594 8.090 16.859 1.00 0.00 O ATOM 174 CB VAL A 12 9.393 8.473 19.671 1.00 0.00 C ATOM 175 CG1 VAL A 12 10.645 9.064 19.007 1.00 0.00 C ATOM 176 CG2 VAL A 12 8.285 9.534 19.728 1.00 0.00 C ATOM 0 H VAL A 12 10.554 6.155 18.287 1.00 0.00 H new ATOM 0 HA VAL A 12 8.067 6.833 19.728 1.00 0.00 H new ATOM 0 HB VAL A 12 9.698 8.196 20.680 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.915 9.996 19.504 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.470 8.356 19.091 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.441 9.260 17.954 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.684 10.454 20.154 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.917 9.730 18.721 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.466 9.172 20.350 1.00 0.00 H new ATOM 186 N PRO A 13 7.221 6.393 17.371 1.00 0.00 N ATOM 187 CA PRO A 13 6.515 6.422 16.084 1.00 0.00 C ATOM 188 C PRO A 13 5.569 7.629 15.916 1.00 0.00 C ATOM 189 O PRO A 13 5.144 7.919 14.797 1.00 0.00 O ATOM 190 CB PRO A 13 5.760 5.091 16.008 1.00 0.00 C ATOM 191 CG PRO A 13 5.497 4.743 17.470 1.00 0.00 C ATOM 192 CD PRO A 13 6.737 5.281 18.184 1.00 0.00 C ATOM 0 HA PRO A 13 7.226 6.543 15.267 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.831 5.189 15.446 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.353 4.322 15.513 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.585 5.212 17.838 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.383 3.669 17.614 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.492 5.613 19.193 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.499 4.507 18.279 1.00 0.00 H new ATOM 200 N ARG A 14 5.265 8.371 16.996 1.00 0.00 N ATOM 201 CA ARG A 14 4.381 9.558 16.995 1.00 0.00 C ATOM 202 C ARG A 14 4.819 10.639 15.995 1.00 0.00 C ATOM 203 O ARG A 14 3.975 11.220 15.313 1.00 0.00 O ATOM 204 CB ARG A 14 4.278 10.165 18.407 1.00 0.00 C ATOM 205 CG ARG A 14 3.648 9.223 19.447 1.00 0.00 C ATOM 206 CD ARG A 14 3.412 9.979 20.763 1.00 0.00 C ATOM 207 NE ARG A 14 2.907 9.095 21.835 1.00 0.00 N ATOM 208 CZ ARG A 14 1.659 8.723 22.068 1.00 0.00 C ATOM 209 NH1 ARG A 14 0.671 9.065 21.289 1.00 0.00 N ATOM 210 NH2 ARG A 14 1.376 7.989 23.106 1.00 0.00 N ATOM 0 H ARG A 14 5.637 8.158 17.922 1.00 0.00 H new ATOM 0 HA ARG A 14 3.401 9.203 16.675 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.275 10.447 18.744 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.688 11.080 18.356 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.704 8.830 19.069 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.303 8.369 19.621 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.345 10.442 21.086 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.698 10.785 20.593 1.00 0.00 H new ATOM 0 HE ARG A 14 3.609 8.725 22.476 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.847 9.640 20.465 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.278 8.758 21.504 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.118 7.699 23.743 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.412 7.704 23.282 1.00 0.00 H new ATOM 224 N GLY A 15 6.128 10.891 15.902 1.00 0.00 N ATOM 225 CA GLY A 15 6.730 11.881 14.996 1.00 0.00 C ATOM 226 C GLY A 15 7.267 11.300 13.680 1.00 0.00 C ATOM 227 O GLY A 15 7.292 11.999 12.668 1.00 0.00 O ATOM 0 H GLY A 15 6.819 10.400 16.469 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.985 12.642 14.765 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.546 12.382 15.517 1.00 0.00 H new ATOM 231 N SER A 16 7.661 10.022 13.672 1.00 0.00 N ATOM 232 CA SER A 16 8.354 9.302 12.580 1.00 0.00 C ATOM 233 C SER A 16 7.468 8.923 11.370 1.00 0.00 C ATOM 234 O SER A 16 7.722 7.926 10.690 1.00 0.00 O ATOM 235 CB SER A 16 9.024 8.042 13.159 1.00 0.00 C ATOM 236 OG SER A 16 9.938 8.361 14.201 1.00 0.00 O ATOM 0 H SER A 16 7.497 9.417 14.477 1.00 0.00 H new ATOM 0 HA SER A 16 9.088 10.001 12.178 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.259 7.366 13.541 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.549 7.512 12.364 1.00 0.00 H new ATOM 0 HG SER A 16 9.495 8.256 15.069 1.00 0.00 H new ATOM 242 N GLN A 17 6.392 9.670 11.103 1.00 0.00 N ATOM 243 CA GLN A 17 5.334 9.318 10.147 1.00 0.00 C ATOM 244 C GLN A 17 5.805 9.141 8.687 1.00 0.00 C ATOM 245 O GLN A 17 5.172 8.405 7.927 1.00 0.00 O ATOM 246 CB GLN A 17 4.208 10.365 10.216 1.00 0.00 C ATOM 247 CG GLN A 17 3.532 10.426 11.597 1.00 0.00 C ATOM 248 CD GLN A 17 2.315 11.350 11.588 1.00 0.00 C ATOM 249 OE1 GLN A 17 2.415 12.562 11.435 1.00 0.00 O ATOM 250 NE2 GLN A 17 1.114 10.825 11.734 1.00 0.00 N ATOM 0 H GLN A 17 6.227 10.566 11.561 1.00 0.00 H new ATOM 0 HA GLN A 17 4.975 8.335 10.452 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.616 11.346 9.973 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.458 10.135 9.459 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.226 9.424 11.898 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.250 10.776 12.339 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.010 9.819 11.863 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.290 11.425 11.718 1.00 0.00 H new ATOM 259 N GLU A 18 6.917 9.759 8.273 1.00 0.00 N ATOM 260 CA GLU A 18 7.513 9.549 6.944 1.00 0.00 C ATOM 261 C GLU A 18 8.272 8.210 6.817 1.00 0.00 C ATOM 262 O GLU A 18 8.374 7.658 5.719 1.00 0.00 O ATOM 263 CB GLU A 18 8.398 10.742 6.525 1.00 0.00 C ATOM 264 CG GLU A 18 9.652 11.021 7.370 1.00 0.00 C ATOM 265 CD GLU A 18 9.343 11.844 8.636 1.00 0.00 C ATOM 266 OE1 GLU A 18 8.880 11.255 9.639 1.00 0.00 O ATOM 267 OE2 GLU A 18 9.558 13.080 8.629 1.00 0.00 O ATOM 0 H GLU A 18 7.433 10.422 8.851 1.00 0.00 H new ATOM 0 HA GLU A 18 6.677 9.487 6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.715 10.582 5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.780 11.640 6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.109 10.074 7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.383 11.555 6.763 1.00 0.00 H new ATOM 274 N ILE A 19 8.758 7.642 7.929 1.00 0.00 N ATOM 275 CA ILE A 19 9.400 6.318 7.962 1.00 0.00 C ATOM 276 C ILE A 19 8.356 5.192 7.865 1.00 0.00 C ATOM 277 O ILE A 19 8.639 4.158 7.265 1.00 0.00 O ATOM 278 CB ILE A 19 10.337 6.174 9.191 1.00 0.00 C ATOM 279 CG1 ILE A 19 11.493 7.207 9.134 1.00 0.00 C ATOM 280 CG2 ILE A 19 10.959 4.767 9.260 1.00 0.00 C ATOM 281 CD1 ILE A 19 11.239 8.466 9.971 1.00 0.00 C ATOM 0 H ILE A 19 8.717 8.093 8.843 1.00 0.00 H new ATOM 0 HA ILE A 19 10.037 6.225 7.082 1.00 0.00 H new ATOM 0 HB ILE A 19 9.722 6.349 10.074 1.00 0.00 H new ATOM 0 HG12 ILE A 19 12.411 6.731 9.480 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.657 7.499 8.097 1.00 0.00 H new ATOM 0 HG21 ILE A 19 11.610 4.699 10.132 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.167 4.023 9.340 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.541 4.582 8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 19 12.090 9.141 9.881 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.340 8.967 9.612 1.00 0.00 H new ATOM 0 HD13 ILE A 19 11.106 8.187 11.016 1.00 0.00 H new ATOM 293 N GLU A 20 7.121 5.398 8.341 1.00 0.00 N ATOM 294 CA GLU A 20 6.006 4.456 8.129 1.00 0.00 C ATOM 295 C GLU A 20 5.736 4.195 6.635 1.00 0.00 C ATOM 296 O GLU A 20 5.591 3.043 6.222 1.00 0.00 O ATOM 297 CB GLU A 20 4.723 4.962 8.819 1.00 0.00 C ATOM 298 CG GLU A 20 4.392 4.202 10.108 1.00 0.00 C ATOM 299 CD GLU A 20 5.381 4.521 11.244 1.00 0.00 C ATOM 300 OE1 GLU A 20 5.174 5.531 11.958 1.00 0.00 O ATOM 301 OE2 GLU A 20 6.347 3.746 11.448 1.00 0.00 O ATOM 0 H GLU A 20 6.863 6.222 8.885 1.00 0.00 H new ATOM 0 HA GLU A 20 6.304 3.509 8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.835 6.022 9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.886 4.872 8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.381 4.455 10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.404 3.130 9.909 1.00 0.00 H new ATOM 308 N ALA A 21 5.709 5.254 5.816 1.00 0.00 N ATOM 309 CA ALA A 21 5.569 5.160 4.362 1.00 0.00 C ATOM 310 C ALA A 21 6.731 4.376 3.716 1.00 0.00 C ATOM 311 O ALA A 21 6.498 3.468 2.912 1.00 0.00 O ATOM 312 CB ALA A 21 5.450 6.580 3.792 1.00 0.00 C ATOM 0 H ALA A 21 5.785 6.214 6.153 1.00 0.00 H new ATOM 0 HA ALA A 21 4.667 4.597 4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.345 6.529 2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.576 7.071 4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.345 7.149 4.043 1.00 0.00 H new ATOM 318 N LYS A 22 7.979 4.693 4.097 1.00 0.00 N ATOM 319 CA LYS A 22 9.193 3.993 3.642 1.00 0.00 C ATOM 320 C LYS A 22 9.159 2.501 3.988 1.00 0.00 C ATOM 321 O LYS A 22 9.347 1.668 3.104 1.00 0.00 O ATOM 322 CB LYS A 22 10.447 4.683 4.211 1.00 0.00 C ATOM 323 CG LYS A 22 11.721 4.159 3.526 1.00 0.00 C ATOM 324 CD LYS A 22 12.988 4.764 4.149 1.00 0.00 C ATOM 325 CE LYS A 22 14.260 4.392 3.369 1.00 0.00 C ATOM 326 NZ LYS A 22 14.534 2.929 3.375 1.00 0.00 N ATOM 0 H LYS A 22 8.177 5.458 4.742 1.00 0.00 H new ATOM 0 HA LYS A 22 9.231 4.054 2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.370 5.761 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.508 4.507 5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.758 3.073 3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.688 4.398 2.463 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.890 5.849 4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.083 4.420 5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.162 4.734 2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.112 4.918 3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.402 2.736 2.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.656 2.603 4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.736 2.425 2.939 1.00 0.00 H new ATOM 340 N GLU A 23 8.896 2.160 5.252 1.00 0.00 N ATOM 341 CA GLU A 23 8.769 0.774 5.719 1.00 0.00 C ATOM 342 C GLU A 23 7.697 -0.001 4.950 1.00 0.00 C ATOM 343 O GLU A 23 7.959 -1.118 4.517 1.00 0.00 O ATOM 344 CB GLU A 23 8.408 0.697 7.206 1.00 0.00 C ATOM 345 CG GLU A 23 9.573 0.883 8.182 1.00 0.00 C ATOM 346 CD GLU A 23 9.163 0.553 9.637 1.00 0.00 C ATOM 347 OE1 GLU A 23 8.140 -0.151 9.856 1.00 0.00 O ATOM 348 OE2 GLU A 23 9.891 0.961 10.575 1.00 0.00 O ATOM 0 H GLU A 23 8.763 2.849 5.993 1.00 0.00 H new ATOM 0 HA GLU A 23 9.748 0.328 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.655 1.456 7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.947 -0.272 7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.403 0.242 7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.930 1.911 8.130 1.00 0.00 H new ATOM 355 N ALA A 24 6.497 0.562 4.777 1.00 0.00 N ATOM 356 CA ALA A 24 5.416 -0.084 4.037 1.00 0.00 C ATOM 357 C ALA A 24 5.820 -0.414 2.588 1.00 0.00 C ATOM 358 O ALA A 24 5.653 -1.553 2.145 1.00 0.00 O ATOM 359 CB ALA A 24 4.176 0.811 4.118 1.00 0.00 C ATOM 0 H ALA A 24 6.251 1.480 5.148 1.00 0.00 H new ATOM 0 HA ALA A 24 5.187 -1.049 4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.356 0.346 3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.889 0.941 5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.400 1.783 3.679 1.00 0.00 H new ATOM 365 N CYS A 25 6.399 0.553 1.871 1.00 0.00 N ATOM 366 CA CYS A 25 6.926 0.376 0.517 1.00 0.00 C ATOM 367 C CYS A 25 8.009 -0.724 0.457 1.00 0.00 C ATOM 368 O CYS A 25 7.904 -1.672 -0.324 1.00 0.00 O ATOM 369 CB CYS A 25 7.445 1.742 0.042 1.00 0.00 C ATOM 370 SG CYS A 25 7.878 1.687 -1.720 1.00 0.00 S ATOM 0 H CYS A 25 6.517 1.502 2.225 1.00 0.00 H new ATOM 0 HA CYS A 25 6.138 0.030 -0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.684 2.504 0.211 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.319 2.028 0.627 1.00 0.00 H new ATOM 0 HG CYS A 25 8.312 2.853 -2.097 1.00 0.00 H new ATOM 376 N ASP A 26 9.035 -0.628 1.309 1.00 0.00 N ATOM 377 CA ASP A 26 10.147 -1.584 1.391 1.00 0.00 C ATOM 378 C ASP A 26 9.695 -3.006 1.772 1.00 0.00 C ATOM 379 O ASP A 26 10.117 -3.980 1.143 1.00 0.00 O ATOM 380 CB ASP A 26 11.184 -1.053 2.390 1.00 0.00 C ATOM 381 CG ASP A 26 12.426 -1.957 2.457 1.00 0.00 C ATOM 382 OD1 ASP A 26 13.254 -1.915 1.516 1.00 0.00 O ATOM 383 OD2 ASP A 26 12.587 -2.692 3.460 1.00 0.00 O ATOM 0 H ASP A 26 9.118 0.137 1.979 1.00 0.00 H new ATOM 0 HA ASP A 26 10.589 -1.671 0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.483 -0.045 2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.732 -0.982 3.379 1.00 0.00 H new ATOM 388 N TRP A 27 8.819 -3.142 2.774 1.00 0.00 N ATOM 389 CA TRP A 27 8.309 -4.430 3.250 1.00 0.00 C ATOM 390 C TRP A 27 7.526 -5.180 2.169 1.00 0.00 C ATOM 391 O TRP A 27 7.755 -6.373 1.983 1.00 0.00 O ATOM 392 CB TRP A 27 7.453 -4.260 4.512 1.00 0.00 C ATOM 393 CG TRP A 27 7.007 -5.572 5.088 1.00 0.00 C ATOM 394 CD1 TRP A 27 7.702 -6.293 5.998 1.00 0.00 C ATOM 395 CD2 TRP A 27 5.870 -6.406 4.699 1.00 0.00 C ATOM 396 NE1 TRP A 27 7.089 -7.519 6.182 1.00 0.00 N ATOM 397 CE2 TRP A 27 5.991 -7.665 5.359 1.00 0.00 C ATOM 398 CE3 TRP A 27 4.778 -6.253 3.814 1.00 0.00 C ATOM 399 CZ2 TRP A 27 5.115 -8.732 5.117 1.00 0.00 C ATOM 400 CZ3 TRP A 27 3.882 -7.313 3.575 1.00 0.00 C ATOM 401 CH2 TRP A 27 4.054 -8.554 4.211 1.00 0.00 C ATOM 0 H TRP A 27 8.439 -2.345 3.285 1.00 0.00 H new ATOM 0 HA TRP A 27 9.180 -5.034 3.502 1.00 0.00 H new ATOM 0 HB2 TRP A 27 8.024 -3.713 5.263 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.578 -3.656 4.274 1.00 0.00 H new ATOM 0 HD1 TRP A 27 8.598 -5.962 6.503 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.409 -8.227 6.843 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.629 -5.308 3.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 5.253 -9.678 5.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.054 -7.171 2.896 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.374 -9.368 4.005 1.00 0.00 H new ATOM 412 N LEU A 28 6.633 -4.507 1.433 1.00 0.00 N ATOM 413 CA LEU A 28 5.846 -5.128 0.356 1.00 0.00 C ATOM 414 C LEU A 28 6.749 -5.783 -0.709 1.00 0.00 C ATOM 415 O LEU A 28 6.498 -6.918 -1.120 1.00 0.00 O ATOM 416 CB LEU A 28 4.896 -4.076 -0.251 1.00 0.00 C ATOM 417 CG LEU A 28 3.693 -3.724 0.647 1.00 0.00 C ATOM 418 CD1 LEU A 28 3.016 -2.445 0.155 1.00 0.00 C ATOM 419 CD2 LEU A 28 2.638 -4.830 0.665 1.00 0.00 C ATOM 0 H LEU A 28 6.434 -3.515 1.566 1.00 0.00 H new ATOM 0 HA LEU A 28 5.246 -5.936 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.461 -3.167 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.526 -4.445 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 28 4.091 -3.594 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.169 -2.211 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.730 -1.622 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.665 -2.589 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.812 -4.534 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.267 -4.995 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.082 -5.751 1.043 1.00 0.00 H new ATOM 431 N ARG A 29 7.845 -5.115 -1.097 1.00 0.00 N ATOM 432 CA ARG A 29 8.912 -5.694 -1.931 1.00 0.00 C ATOM 433 C ARG A 29 9.620 -6.870 -1.242 1.00 0.00 C ATOM 434 O ARG A 29 9.688 -7.951 -1.826 1.00 0.00 O ATOM 435 CB ARG A 29 9.880 -4.583 -2.381 1.00 0.00 C ATOM 436 CG ARG A 29 11.091 -5.130 -3.156 1.00 0.00 C ATOM 437 CD ARG A 29 11.775 -4.029 -3.979 1.00 0.00 C ATOM 438 NE ARG A 29 13.028 -4.506 -4.601 1.00 0.00 N ATOM 439 CZ ARG A 29 13.178 -5.280 -5.664 1.00 0.00 C ATOM 440 NH1 ARG A 29 12.164 -5.746 -6.343 1.00 0.00 N ATOM 441 NH2 ARG A 29 14.369 -5.610 -6.072 1.00 0.00 N ATOM 0 H ARG A 29 8.019 -4.144 -0.838 1.00 0.00 H new ATOM 0 HA ARG A 29 8.461 -6.125 -2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.343 -3.871 -3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.231 -4.036 -1.506 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.807 -5.561 -2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.768 -5.933 -3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.094 -3.680 -4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.990 -3.176 -3.336 1.00 0.00 H new ATOM 0 HE ARG A 29 13.891 -4.198 -4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.212 -5.516 -6.059 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.325 -6.340 -7.157 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.191 -5.272 -5.572 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.480 -6.207 -6.892 1.00 0.00 H new ATOM 455 N ALA A 30 10.120 -6.689 -0.019 1.00 0.00 N ATOM 456 CA ALA A 30 10.842 -7.721 0.741 1.00 0.00 C ATOM 457 C ALA A 30 10.022 -9.010 0.988 1.00 0.00 C ATOM 458 O ALA A 30 10.579 -10.110 0.997 1.00 0.00 O ATOM 459 CB ALA A 30 11.319 -7.108 2.063 1.00 0.00 C ATOM 0 H ALA A 30 10.035 -5.806 0.484 1.00 0.00 H new ATOM 0 HA ALA A 30 11.691 -8.042 0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.857 -7.860 2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.981 -6.267 1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.458 -6.760 2.634 1.00 0.00 H new ATOM 465 N ALA A 31 8.698 -8.892 1.138 1.00 0.00 N ATOM 466 CA ALA A 31 7.737 -9.989 1.262 1.00 0.00 C ATOM 467 C ALA A 31 7.514 -10.793 -0.042 1.00 0.00 C ATOM 468 O ALA A 31 6.827 -11.817 -0.022 1.00 0.00 O ATOM 469 CB ALA A 31 6.416 -9.392 1.760 1.00 0.00 C ATOM 0 H ALA A 31 8.246 -7.979 1.178 1.00 0.00 H new ATOM 0 HA ALA A 31 8.146 -10.714 1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.675 -10.184 1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.574 -8.914 2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.058 -8.652 1.044 1.00 0.00 H new ATOM 475 N GLY A 32 8.075 -10.344 -1.172 1.00 0.00 N ATOM 476 CA GLY A 32 7.959 -10.982 -2.487 1.00 0.00 C ATOM 477 C GLY A 32 6.838 -10.424 -3.374 1.00 0.00 C ATOM 478 O GLY A 32 6.558 -11.013 -4.421 1.00 0.00 O ATOM 0 H GLY A 32 8.642 -9.496 -1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.908 -10.874 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.793 -12.050 -2.344 1.00 0.00 H new ATOM 482 N PHE A 33 6.206 -9.306 -2.991 1.00 0.00 N ATOM 483 CA PHE A 33 5.094 -8.676 -3.721 1.00 0.00 C ATOM 484 C PHE A 33 5.344 -7.175 -4.019 1.00 0.00 C ATOM 485 O PHE A 33 4.553 -6.316 -3.611 1.00 0.00 O ATOM 486 CB PHE A 33 3.779 -8.930 -2.961 1.00 0.00 C ATOM 487 CG PHE A 33 3.474 -10.387 -2.655 1.00 0.00 C ATOM 488 CD1 PHE A 33 3.219 -11.294 -3.705 1.00 0.00 C ATOM 489 CD2 PHE A 33 3.442 -10.843 -1.323 1.00 0.00 C ATOM 490 CE1 PHE A 33 2.945 -12.645 -3.425 1.00 0.00 C ATOM 491 CE2 PHE A 33 3.160 -12.193 -1.043 1.00 0.00 C ATOM 492 CZ PHE A 33 2.917 -13.095 -2.093 1.00 0.00 C ATOM 0 H PHE A 33 6.460 -8.800 -2.142 1.00 0.00 H new ATOM 0 HA PHE A 33 5.017 -9.139 -4.705 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.809 -8.378 -2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.956 -8.519 -3.546 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.234 -10.950 -4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.635 -10.154 -0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.756 -13.337 -4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.130 -12.536 -0.020 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.709 -14.133 -1.877 1.00 0.00 H new ATOM 502 N PRO A 34 6.406 -6.824 -4.781 1.00 0.00 N ATOM 503 CA PRO A 34 6.722 -5.435 -5.136 1.00 0.00 C ATOM 504 C PRO A 34 5.674 -4.772 -6.043 1.00 0.00 C ATOM 505 O PRO A 34 5.653 -3.547 -6.147 1.00 0.00 O ATOM 506 CB PRO A 34 8.091 -5.487 -5.822 1.00 0.00 C ATOM 507 CG PRO A 34 8.143 -6.894 -6.413 1.00 0.00 C ATOM 508 CD PRO A 34 7.379 -7.726 -5.386 1.00 0.00 C ATOM 0 HA PRO A 34 6.726 -4.817 -4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.181 -4.724 -6.595 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.902 -5.320 -5.113 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.674 -6.936 -7.396 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.168 -7.244 -6.533 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.883 -8.573 -5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.054 -8.133 -4.633 1.00 0.00 H new ATOM 516 N GLN A 35 4.777 -5.552 -6.662 1.00 0.00 N ATOM 517 CA GLN A 35 3.638 -5.050 -7.438 1.00 0.00 C ATOM 518 C GLN A 35 2.802 -4.015 -6.666 1.00 0.00 C ATOM 519 O GLN A 35 2.423 -2.990 -7.232 1.00 0.00 O ATOM 520 CB GLN A 35 2.776 -6.223 -7.950 1.00 0.00 C ATOM 521 CG GLN A 35 2.151 -7.114 -6.858 1.00 0.00 C ATOM 522 CD GLN A 35 1.259 -8.197 -7.461 1.00 0.00 C ATOM 523 OE1 GLN A 35 1.715 -9.244 -7.903 1.00 0.00 O ATOM 524 NE2 GLN A 35 -0.041 -7.989 -7.514 1.00 0.00 N ATOM 0 H GLN A 35 4.825 -6.571 -6.636 1.00 0.00 H new ATOM 0 HA GLN A 35 4.040 -4.520 -8.301 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.974 -5.819 -8.568 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.392 -6.848 -8.596 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.942 -7.579 -6.270 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.566 -6.498 -6.175 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.434 -7.121 -7.149 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.654 -8.696 -7.920 1.00 0.00 H new ATOM 533 N TYR A 36 2.558 -4.241 -5.370 1.00 0.00 N ATOM 534 CA TYR A 36 1.846 -3.297 -4.508 1.00 0.00 C ATOM 535 C TYR A 36 2.679 -2.030 -4.273 1.00 0.00 C ATOM 536 O TYR A 36 2.201 -0.931 -4.538 1.00 0.00 O ATOM 537 CB TYR A 36 1.456 -3.978 -3.188 1.00 0.00 C ATOM 538 CG TYR A 36 0.561 -5.195 -3.356 1.00 0.00 C ATOM 539 CD1 TYR A 36 -0.720 -5.059 -3.930 1.00 0.00 C ATOM 540 CD2 TYR A 36 1.012 -6.466 -2.948 1.00 0.00 C ATOM 541 CE1 TYR A 36 -1.541 -6.191 -4.110 1.00 0.00 C ATOM 542 CE2 TYR A 36 0.194 -7.598 -3.123 1.00 0.00 C ATOM 543 CZ TYR A 36 -1.085 -7.465 -3.708 1.00 0.00 C ATOM 544 OH TYR A 36 -1.866 -8.566 -3.882 1.00 0.00 O ATOM 0 H TYR A 36 2.852 -5.091 -4.889 1.00 0.00 H new ATOM 0 HA TYR A 36 0.929 -2.986 -5.009 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.364 -4.278 -2.665 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.948 -3.252 -2.554 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.073 -4.084 -4.233 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.989 -6.572 -2.499 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.519 -6.083 -4.556 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.545 -8.570 -2.809 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.394 -9.358 -3.550 1.00 0.00 H new ATOM 554 N ALA A 37 3.940 -2.171 -3.850 1.00 0.00 N ATOM 555 CA ALA A 37 4.868 -1.061 -3.609 1.00 0.00 C ATOM 556 C ALA A 37 4.979 -0.093 -4.806 1.00 0.00 C ATOM 557 O ALA A 37 4.848 1.122 -4.644 1.00 0.00 O ATOM 558 CB ALA A 37 6.236 -1.644 -3.236 1.00 0.00 C ATOM 0 H ALA A 37 4.354 -3.084 -3.661 1.00 0.00 H new ATOM 0 HA ALA A 37 4.477 -0.460 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.940 -0.832 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.140 -2.251 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.602 -2.264 -4.054 1.00 0.00 H new ATOM 564 N GLN A 38 5.183 -0.628 -6.015 1.00 0.00 N ATOM 565 CA GLN A 38 5.319 0.148 -7.257 1.00 0.00 C ATOM 566 C GLN A 38 4.045 0.915 -7.668 1.00 0.00 C ATOM 567 O GLN A 38 4.133 1.897 -8.409 1.00 0.00 O ATOM 568 CB GLN A 38 5.765 -0.793 -8.392 1.00 0.00 C ATOM 569 CG GLN A 38 7.211 -1.298 -8.236 1.00 0.00 C ATOM 570 CD GLN A 38 8.244 -0.175 -8.349 1.00 0.00 C ATOM 571 OE1 GLN A 38 8.808 0.294 -7.369 1.00 0.00 O ATOM 572 NE2 GLN A 38 8.524 0.313 -9.541 1.00 0.00 N ATOM 0 H GLN A 38 5.260 -1.634 -6.163 1.00 0.00 H new ATOM 0 HA GLN A 38 6.070 0.915 -7.067 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.091 -1.649 -8.430 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.671 -0.271 -9.344 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.318 -1.788 -7.268 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.413 -2.050 -8.999 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.063 -0.066 -10.368 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.201 1.070 -9.636 1.00 0.00 H new ATOM 581 N LEU A 39 2.866 0.514 -7.177 1.00 0.00 N ATOM 582 CA LEU A 39 1.576 1.173 -7.432 1.00 0.00 C ATOM 583 C LEU A 39 1.280 2.367 -6.498 1.00 0.00 C ATOM 584 O LEU A 39 0.244 3.016 -6.660 1.00 0.00 O ATOM 585 CB LEU A 39 0.461 0.109 -7.376 1.00 0.00 C ATOM 586 CG LEU A 39 0.393 -0.807 -8.614 1.00 0.00 C ATOM 587 CD1 LEU A 39 -0.606 -1.938 -8.361 1.00 0.00 C ATOM 588 CD2 LEU A 39 -0.056 -0.067 -9.878 1.00 0.00 C ATOM 0 H LEU A 39 2.779 -0.303 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 39 1.622 1.618 -8.426 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.609 -0.508 -6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.499 0.612 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 39 1.403 -1.185 -8.774 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.653 -2.585 -9.237 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.285 -2.520 -7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.592 -1.516 -8.168 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.085 -0.763 -10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.050 0.353 -9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.647 0.737 -10.098 1.00 0.00 H new ATOM 600 N TYR A 40 2.173 2.698 -5.555 1.00 0.00 N ATOM 601 CA TYR A 40 2.034 3.863 -4.666 1.00 0.00 C ATOM 602 C TYR A 40 1.959 5.184 -5.448 1.00 0.00 C ATOM 603 O TYR A 40 1.018 5.958 -5.276 1.00 0.00 O ATOM 604 CB TYR A 40 3.185 3.896 -3.645 1.00 0.00 C ATOM 605 CG TYR A 40 3.201 5.123 -2.745 1.00 0.00 C ATOM 606 CD1 TYR A 40 2.021 5.565 -2.107 1.00 0.00 C ATOM 607 CD2 TYR A 40 4.401 5.837 -2.561 1.00 0.00 C ATOM 608 CE1 TYR A 40 2.033 6.732 -1.318 1.00 0.00 C ATOM 609 CE2 TYR A 40 4.423 6.994 -1.758 1.00 0.00 C ATOM 610 CZ TYR A 40 3.237 7.449 -1.140 1.00 0.00 C ATOM 611 OH TYR A 40 3.265 8.575 -0.378 1.00 0.00 O ATOM 0 H TYR A 40 3.022 2.159 -5.385 1.00 0.00 H new ATOM 0 HA TYR A 40 1.090 3.757 -4.132 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.124 3.005 -3.020 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.132 3.844 -4.183 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.105 5.005 -2.225 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.308 5.496 -3.038 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.123 7.078 -0.850 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.347 7.534 -1.615 1.00 0.00 H new ATOM 0 HH TYR A 40 4.175 8.938 -0.364 1.00 0.00 H new ATOM 621 N GLU A 41 2.922 5.429 -6.342 1.00 0.00 N ATOM 622 CA GLU A 41 2.972 6.644 -7.172 1.00 0.00 C ATOM 623 C GLU A 41 1.846 6.713 -8.226 1.00 0.00 C ATOM 624 O GLU A 41 1.527 7.798 -8.718 1.00 0.00 O ATOM 625 CB GLU A 41 4.344 6.759 -7.856 1.00 0.00 C ATOM 626 CG GLU A 41 5.488 6.928 -6.847 1.00 0.00 C ATOM 627 CD GLU A 41 6.827 7.177 -7.569 1.00 0.00 C ATOM 628 OE1 GLU A 41 7.520 6.195 -7.932 1.00 0.00 O ATOM 629 OE2 GLU A 41 7.203 8.358 -7.774 1.00 0.00 O ATOM 0 H GLU A 41 3.696 4.787 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 41 2.818 7.487 -6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.523 5.868 -8.458 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.337 7.609 -8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.270 7.762 -6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.566 6.035 -6.226 1.00 0.00 H new ATOM 636 N ASP A 42 1.210 5.580 -8.547 1.00 0.00 N ATOM 637 CA ASP A 42 0.006 5.497 -9.390 1.00 0.00 C ATOM 638 C ASP A 42 -1.310 5.646 -8.587 1.00 0.00 C ATOM 639 O ASP A 42 -2.399 5.656 -9.165 1.00 0.00 O ATOM 640 CB ASP A 42 0.039 4.178 -10.184 1.00 0.00 C ATOM 641 CG ASP A 42 -0.838 4.224 -11.452 1.00 0.00 C ATOM 642 OD1 ASP A 42 -0.679 5.166 -12.267 1.00 0.00 O ATOM 643 OD2 ASP A 42 -1.645 3.291 -11.676 1.00 0.00 O ATOM 0 H ASP A 42 1.526 4.667 -8.219 1.00 0.00 H new ATOM 0 HA ASP A 42 0.018 6.341 -10.080 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.068 3.955 -10.467 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.299 3.364 -9.543 1.00 0.00 H new ATOM 648 N SER A 43 -1.219 5.774 -7.256 1.00 0.00 N ATOM 649 CA SER A 43 -2.318 5.949 -6.287 1.00 0.00 C ATOM 650 C SER A 43 -3.325 4.784 -6.219 1.00 0.00 C ATOM 651 O SER A 43 -4.456 4.972 -5.765 1.00 0.00 O ATOM 652 CB SER A 43 -3.021 7.307 -6.486 1.00 0.00 C ATOM 653 OG SER A 43 -2.099 8.389 -6.487 1.00 0.00 O ATOM 0 H SER A 43 -0.311 5.757 -6.791 1.00 0.00 H new ATOM 0 HA SER A 43 -1.837 5.941 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.569 7.297 -7.428 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.754 7.456 -5.693 1.00 0.00 H new ATOM 0 HG SER A 43 -2.583 9.231 -6.617 1.00 0.00 H new ATOM 659 N GLN A 44 -2.945 3.572 -6.648 1.00 0.00 N ATOM 660 CA GLN A 44 -3.829 2.389 -6.710 1.00 0.00 C ATOM 661 C GLN A 44 -3.833 1.528 -5.425 1.00 0.00 C ATOM 662 O GLN A 44 -4.313 0.397 -5.446 1.00 0.00 O ATOM 663 CB GLN A 44 -3.489 1.526 -7.944 1.00 0.00 C ATOM 664 CG GLN A 44 -3.597 2.229 -9.304 1.00 0.00 C ATOM 665 CD GLN A 44 -5.023 2.497 -9.796 1.00 0.00 C ATOM 666 OE1 GLN A 44 -6.001 2.512 -9.060 1.00 0.00 O ATOM 667 NE2 GLN A 44 -5.198 2.696 -11.085 1.00 0.00 N ATOM 0 H GLN A 44 -1.996 3.378 -6.969 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.842 2.781 -6.801 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.472 1.150 -7.831 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.151 0.660 -7.951 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.067 3.180 -9.245 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.082 1.622 -10.049 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.396 2.688 -11.716 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.135 2.859 -11.453 1.00 0.00 H new ATOM 676 N PHE A 45 -3.303 2.019 -4.300 1.00 0.00 N ATOM 677 CA PHE A 45 -3.398 1.351 -2.989 1.00 0.00 C ATOM 678 C PHE A 45 -4.848 1.097 -2.497 1.00 0.00 C ATOM 679 O PHE A 45 -5.155 -0.046 -2.142 1.00 0.00 O ATOM 680 CB PHE A 45 -2.571 2.116 -1.943 1.00 0.00 C ATOM 681 CG PHE A 45 -1.169 1.577 -1.747 1.00 0.00 C ATOM 682 CD1 PHE A 45 -0.226 1.662 -2.787 1.00 0.00 C ATOM 683 CD2 PHE A 45 -0.808 0.966 -0.530 1.00 0.00 C ATOM 684 CE1 PHE A 45 1.068 1.147 -2.603 1.00 0.00 C ATOM 685 CE2 PHE A 45 0.487 0.444 -0.356 1.00 0.00 C ATOM 686 CZ PHE A 45 1.427 0.534 -1.393 1.00 0.00 C ATOM 0 H PHE A 45 -2.790 2.900 -4.269 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.978 0.355 -3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.508 3.163 -2.240 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.096 2.087 -0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.496 2.123 -3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.528 0.898 0.272 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.793 1.224 -3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.758 -0.027 0.578 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.421 0.134 -1.261 1.00 0.00 H new ATOM 696 N PRO A 46 -5.749 2.103 -2.431 1.00 0.00 N ATOM 697 CA PRO A 46 -7.129 1.929 -1.959 1.00 0.00 C ATOM 698 C PRO A 46 -8.032 1.250 -3.016 1.00 0.00 C ATOM 699 O PRO A 46 -8.807 1.909 -3.713 1.00 0.00 O ATOM 700 CB PRO A 46 -7.599 3.340 -1.568 1.00 0.00 C ATOM 701 CG PRO A 46 -6.822 4.243 -2.522 1.00 0.00 C ATOM 702 CD PRO A 46 -5.487 3.520 -2.667 1.00 0.00 C ATOM 0 HA PRO A 46 -7.186 1.251 -1.107 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.676 3.455 -1.692 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.373 3.566 -0.526 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.330 4.349 -3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.696 5.246 -2.115 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.069 3.676 -3.661 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.760 3.903 -1.951 1.00 0.00 H new ATOM 710 N ILE A 47 -7.946 -0.082 -3.127 1.00 0.00 N ATOM 711 CA ILE A 47 -8.715 -0.925 -4.070 1.00 0.00 C ATOM 712 C ILE A 47 -9.392 -2.118 -3.368 1.00 0.00 C ATOM 713 O ILE A 47 -9.204 -3.278 -3.736 1.00 0.00 O ATOM 714 CB ILE A 47 -7.859 -1.346 -5.290 1.00 0.00 C ATOM 715 CG1 ILE A 47 -6.560 -2.088 -4.888 1.00 0.00 C ATOM 716 CG2 ILE A 47 -7.565 -0.117 -6.169 1.00 0.00 C ATOM 717 CD1 ILE A 47 -5.924 -2.864 -6.049 1.00 0.00 C ATOM 0 H ILE A 47 -7.315 -0.630 -2.542 1.00 0.00 H new ATOM 0 HA ILE A 47 -9.528 -0.313 -4.461 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.439 -2.065 -5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.840 -1.365 -4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.781 -2.780 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.963 -0.418 -7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.504 0.313 -6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.020 0.626 -5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.018 -3.361 -5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.628 -3.610 -6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.673 -2.173 -6.854 1.00 0.00 H new ATOM 729 N ASN A 48 -10.199 -1.824 -2.343 1.00 0.00 N ATOM 730 CA ASN A 48 -10.835 -2.791 -1.435 1.00 0.00 C ATOM 731 C ASN A 48 -9.804 -3.735 -0.778 1.00 0.00 C ATOM 732 O ASN A 48 -9.679 -4.905 -1.152 1.00 0.00 O ATOM 733 CB ASN A 48 -11.979 -3.542 -2.154 1.00 0.00 C ATOM 734 CG ASN A 48 -13.029 -2.634 -2.773 1.00 0.00 C ATOM 735 OD1 ASN A 48 -13.484 -1.664 -2.182 1.00 0.00 O ATOM 736 ND2 ASN A 48 -13.454 -2.917 -3.985 1.00 0.00 N ATOM 0 H ASN A 48 -10.439 -0.860 -2.111 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.287 -2.239 -0.610 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.551 -4.170 -2.936 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.465 -4.208 -1.441 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.160 -2.329 -4.428 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.078 -3.724 -4.482 1.00 0.00 H new ATOM 743 N ILE A 49 -9.075 -3.238 0.230 1.00 0.00 N ATOM 744 CA ILE A 49 -8.052 -4.011 0.969 1.00 0.00 C ATOM 745 C ILE A 49 -8.641 -5.322 1.526 1.00 0.00 C ATOM 746 O ILE A 49 -8.010 -6.373 1.440 1.00 0.00 O ATOM 747 CB ILE A 49 -7.366 -3.146 2.058 1.00 0.00 C ATOM 748 CG1 ILE A 49 -6.638 -1.949 1.394 1.00 0.00 C ATOM 749 CG2 ILE A 49 -6.362 -3.981 2.879 1.00 0.00 C ATOM 750 CD1 ILE A 49 -6.026 -0.943 2.378 1.00 0.00 C ATOM 0 H ILE A 49 -9.175 -2.279 0.563 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.268 -4.296 0.268 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.135 -2.775 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.847 -2.334 0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.344 -1.424 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.896 -3.349 3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.885 -4.804 3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.594 -4.381 2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.539 -0.142 1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.812 -0.524 3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.292 -1.448 3.005 1.00 0.00 H new ATOM 762 N VAL A 50 -9.885 -5.291 2.019 1.00 0.00 N ATOM 763 CA VAL A 50 -10.628 -6.477 2.485 1.00 0.00 C ATOM 764 C VAL A 50 -10.776 -7.541 1.382 1.00 0.00 C ATOM 765 O VAL A 50 -10.546 -8.721 1.633 1.00 0.00 O ATOM 766 CB VAL A 50 -12.006 -6.087 3.062 1.00 0.00 C ATOM 767 CG1 VAL A 50 -12.734 -7.294 3.668 1.00 0.00 C ATOM 768 CG2 VAL A 50 -11.873 -5.033 4.171 1.00 0.00 C ATOM 0 H VAL A 50 -10.417 -4.426 2.109 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.038 -6.922 3.286 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.576 -5.688 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.699 -6.976 4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.888 -8.050 2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.133 -7.714 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.862 -4.782 4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.260 -5.431 4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.402 -4.137 3.767 1.00 0.00 H new ATOM 778 N ALA A 51 -11.111 -7.148 0.150 1.00 0.00 N ATOM 779 CA ALA A 51 -11.262 -8.073 -0.975 1.00 0.00 C ATOM 780 C ALA A 51 -9.941 -8.785 -1.328 1.00 0.00 C ATOM 781 O ALA A 51 -9.919 -10.012 -1.451 1.00 0.00 O ATOM 782 CB ALA A 51 -11.842 -7.324 -2.181 1.00 0.00 C ATOM 0 H ALA A 51 -11.286 -6.174 -0.096 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.957 -8.859 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.954 -8.013 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.816 -6.911 -1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.169 -6.515 -2.465 1.00 0.00 H new ATOM 788 N VAL A 52 -8.832 -8.041 -1.462 1.00 0.00 N ATOM 789 CA VAL A 52 -7.517 -8.635 -1.777 1.00 0.00 C ATOM 790 C VAL A 52 -6.942 -9.466 -0.620 1.00 0.00 C ATOM 791 O VAL A 52 -6.303 -10.490 -0.873 1.00 0.00 O ATOM 792 CB VAL A 52 -6.485 -7.605 -2.286 1.00 0.00 C ATOM 793 CG1 VAL A 52 -6.972 -6.936 -3.580 1.00 0.00 C ATOM 794 CG2 VAL A 52 -6.149 -6.501 -1.281 1.00 0.00 C ATOM 0 H VAL A 52 -8.817 -7.026 -1.358 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.714 -9.319 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.578 -8.185 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.228 -6.215 -3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.119 -7.695 -4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.915 -6.423 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.418 -5.821 -1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.055 -5.948 -1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.735 -6.946 -0.376 1.00 0.00 H new ATOM 804 N LYS A 53 -7.196 -9.094 0.647 1.00 0.00 N ATOM 805 CA LYS A 53 -6.729 -9.848 1.829 1.00 0.00 C ATOM 806 C LYS A 53 -7.539 -11.129 2.099 1.00 0.00 C ATOM 807 O LYS A 53 -6.991 -12.094 2.630 1.00 0.00 O ATOM 808 CB LYS A 53 -6.630 -8.914 3.056 1.00 0.00 C ATOM 809 CG LYS A 53 -7.852 -8.923 3.987 1.00 0.00 C ATOM 810 CD LYS A 53 -7.743 -7.826 5.052 1.00 0.00 C ATOM 811 CE LYS A 53 -8.903 -7.863 6.057 1.00 0.00 C ATOM 812 NZ LYS A 53 -8.769 -8.982 7.029 1.00 0.00 N ATOM 0 H LYS A 53 -7.733 -8.259 0.883 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.725 -10.212 1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.750 -9.194 3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.469 -7.895 2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.760 -8.777 3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.937 -9.896 4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.800 -7.936 5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.721 -6.852 4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.943 -6.917 6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.845 -7.963 5.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.574 -8.968 7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.757 -9.887 6.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.883 -8.874 7.563 1.00 0.00 H new ATOM 826 N ASN A 54 -8.818 -11.171 1.703 1.00 0.00 N ATOM 827 CA ASN A 54 -9.691 -12.349 1.822 1.00 0.00 C ATOM 828 C ASN A 54 -9.253 -13.540 0.945 1.00 0.00 C ATOM 829 O ASN A 54 -9.674 -14.671 1.199 1.00 0.00 O ATOM 830 CB ASN A 54 -11.145 -11.955 1.483 1.00 0.00 C ATOM 831 CG ASN A 54 -11.906 -11.276 2.614 1.00 0.00 C ATOM 832 OD1 ASN A 54 -11.435 -11.101 3.732 1.00 0.00 O ATOM 833 ND2 ASN A 54 -13.146 -10.914 2.367 1.00 0.00 N ATOM 0 H ASN A 54 -9.286 -10.369 1.281 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.615 -12.687 2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.134 -11.288 0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.689 -12.852 1.186 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.710 -10.490 3.104 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.544 -11.057 1.439 1.00 0.00 H new ATOM 840 N ASP A 55 -8.404 -13.319 -0.063 1.00 0.00 N ATOM 841 CA ASP A 55 -7.885 -14.308 -1.025 1.00 0.00 C ATOM 842 C ASP A 55 -6.807 -15.245 -0.415 1.00 0.00 C ATOM 843 O ASP A 55 -5.747 -15.497 -0.992 1.00 0.00 O ATOM 844 CB ASP A 55 -7.390 -13.527 -2.258 1.00 0.00 C ATOM 845 CG ASP A 55 -7.262 -14.368 -3.542 1.00 0.00 C ATOM 846 OD1 ASP A 55 -7.935 -15.419 -3.671 1.00 0.00 O ATOM 847 OD2 ASP A 55 -6.542 -13.926 -4.470 1.00 0.00 O ATOM 0 H ASP A 55 -8.034 -12.386 -0.244 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.679 -14.995 -1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.075 -12.701 -2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.419 -13.089 -2.028 1.00 0.00 H new ATOM 852 N HIS A 56 -7.061 -15.735 0.802 1.00 0.00 N ATOM 853 CA HIS A 56 -6.156 -16.467 1.699 1.00 0.00 C ATOM 854 C HIS A 56 -5.696 -17.855 1.200 1.00 0.00 C ATOM 855 O HIS A 56 -4.841 -18.481 1.829 1.00 0.00 O ATOM 856 CB HIS A 56 -6.842 -16.586 3.070 1.00 0.00 C ATOM 857 CG HIS A 56 -8.057 -17.486 3.073 1.00 0.00 C ATOM 858 ND1 HIS A 56 -9.330 -17.146 2.662 1.00 0.00 N ATOM 859 CD2 HIS A 56 -8.087 -18.800 3.465 1.00 0.00 C ATOM 860 CE1 HIS A 56 -10.112 -18.231 2.803 1.00 0.00 C ATOM 861 NE2 HIS A 56 -9.398 -19.262 3.291 1.00 0.00 N ATOM 0 H HIS A 56 -7.983 -15.621 1.223 1.00 0.00 H new ATOM 0 HA HIS A 56 -5.233 -15.890 1.749 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.121 -16.964 3.794 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.138 -15.592 3.404 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -9.625 -16.234 2.313 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.252 -19.374 3.839 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -11.163 -18.269 2.559 1.00 0.00 H new ATOM 869 N ASP A 57 -6.241 -18.357 0.089 1.00 0.00 N ATOM 870 CA ASP A 57 -5.758 -19.559 -0.610 1.00 0.00 C ATOM 871 C ASP A 57 -4.691 -19.255 -1.690 1.00 0.00 C ATOM 872 O ASP A 57 -4.036 -20.176 -2.185 1.00 0.00 O ATOM 873 CB ASP A 57 -6.952 -20.338 -1.187 1.00 0.00 C ATOM 874 CG ASP A 57 -7.709 -19.571 -2.283 1.00 0.00 C ATOM 875 OD1 ASP A 57 -8.600 -18.757 -1.940 1.00 0.00 O ATOM 876 OD2 ASP A 57 -7.431 -19.796 -3.485 1.00 0.00 O ATOM 0 H ASP A 57 -7.050 -17.931 -0.363 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.247 -20.181 0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.596 -21.284 -1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.643 -20.580 -0.379 1.00 0.00 H new ATOM 881 N PHE A 58 -4.480 -17.979 -2.038 1.00 0.00 N ATOM 882 CA PHE A 58 -3.505 -17.526 -3.042 1.00 0.00 C ATOM 883 C PHE A 58 -2.090 -17.307 -2.465 1.00 0.00 C ATOM 884 O PHE A 58 -1.094 -17.500 -3.168 1.00 0.00 O ATOM 885 CB PHE A 58 -4.039 -16.230 -3.670 1.00 0.00 C ATOM 886 CG PHE A 58 -3.410 -15.849 -4.997 1.00 0.00 C ATOM 887 CD1 PHE A 58 -3.940 -16.369 -6.194 1.00 0.00 C ATOM 888 CD2 PHE A 58 -2.327 -14.950 -5.047 1.00 0.00 C ATOM 889 CE1 PHE A 58 -3.391 -15.994 -7.434 1.00 0.00 C ATOM 890 CE2 PHE A 58 -1.777 -14.575 -6.287 1.00 0.00 C ATOM 891 CZ PHE A 58 -2.311 -15.095 -7.481 1.00 0.00 C ATOM 0 H PHE A 58 -4.999 -17.209 -1.616 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.396 -18.310 -3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.115 -16.330 -3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.885 -15.413 -2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.771 -17.058 -6.160 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.918 -14.548 -4.132 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.799 -16.397 -8.349 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.945 -13.888 -6.322 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.891 -14.804 -8.433 1.00 0.00 H new ATOM 901 N LEU A 59 -1.994 -16.914 -1.189 1.00 0.00 N ATOM 902 CA LEU A 59 -0.755 -16.671 -0.435 1.00 0.00 C ATOM 903 C LEU A 59 -0.906 -17.018 1.063 1.00 0.00 C ATOM 904 O LEU A 59 -2.011 -17.266 1.545 1.00 0.00 O ATOM 905 CB LEU A 59 -0.253 -15.227 -0.685 1.00 0.00 C ATOM 906 CG LEU A 59 -1.283 -14.077 -0.639 1.00 0.00 C ATOM 907 CD1 LEU A 59 -1.998 -13.937 0.705 1.00 0.00 C ATOM 908 CD2 LEU A 59 -0.577 -12.751 -0.931 1.00 0.00 C ATOM 0 H LEU A 59 -2.825 -16.747 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 59 0.015 -17.349 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.520 -15.011 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.226 -15.206 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.035 -14.320 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.704 -13.108 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.535 -14.859 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.265 -13.744 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.302 -11.938 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.196 -12.578 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.121 -12.792 -1.920 1.00 0.00 H new ATOM 920 N GLU A 60 0.206 -17.070 1.803 1.00 0.00 N ATOM 921 CA GLU A 60 0.246 -17.502 3.212 1.00 0.00 C ATOM 922 C GLU A 60 -0.578 -16.613 4.159 1.00 0.00 C ATOM 923 O GLU A 60 -0.407 -15.392 4.190 1.00 0.00 O ATOM 924 CB GLU A 60 1.704 -17.553 3.712 1.00 0.00 C ATOM 925 CG GLU A 60 2.395 -18.893 3.425 1.00 0.00 C ATOM 926 CD GLU A 60 2.034 -19.977 4.465 1.00 0.00 C ATOM 927 OE1 GLU A 60 0.831 -20.166 4.774 1.00 0.00 O ATOM 928 OE2 GLU A 60 2.956 -20.653 4.983 1.00 0.00 O ATOM 0 H GLU A 60 1.122 -16.809 1.437 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.207 -18.493 3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.271 -16.751 3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.720 -17.366 4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.112 -19.239 2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.475 -18.747 3.416 1.00 0.00 H new ATOM 935 N LYS A 61 -1.411 -17.242 5.006 1.00 0.00 N ATOM 936 CA LYS A 61 -2.248 -16.582 6.028 1.00 0.00 C ATOM 937 C LYS A 61 -1.470 -15.667 6.989 1.00 0.00 C ATOM 938 O LYS A 61 -2.008 -14.665 7.457 1.00 0.00 O ATOM 939 CB LYS A 61 -3.089 -17.626 6.796 1.00 0.00 C ATOM 940 CG LYS A 61 -2.281 -18.684 7.582 1.00 0.00 C ATOM 941 CD LYS A 61 -2.198 -20.061 6.903 1.00 0.00 C ATOM 942 CE LYS A 61 -3.496 -20.858 7.094 1.00 0.00 C ATOM 943 NZ LYS A 61 -3.404 -22.208 6.481 1.00 0.00 N ATOM 0 H LYS A 61 -1.525 -18.256 5.000 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.916 -15.914 5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.741 -17.100 7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.734 -18.142 6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.270 -18.308 7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.730 -18.806 8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.001 -19.932 5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.360 -20.622 7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.711 -20.955 8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.328 -20.312 6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.298 -22.718 6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.224 -22.115 5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.626 -22.738 6.923 1.00 0.00 H new ATOM 957 N ASP A 62 -0.201 -15.976 7.255 1.00 0.00 N ATOM 958 CA ASP A 62 0.688 -15.188 8.118 1.00 0.00 C ATOM 959 C ASP A 62 1.228 -13.910 7.439 1.00 0.00 C ATOM 960 O ASP A 62 1.562 -12.948 8.129 1.00 0.00 O ATOM 961 CB ASP A 62 1.837 -16.091 8.583 1.00 0.00 C ATOM 962 CG ASP A 62 2.706 -15.425 9.665 1.00 0.00 C ATOM 963 OD1 ASP A 62 2.201 -15.199 10.792 1.00 0.00 O ATOM 964 OD2 ASP A 62 3.907 -15.166 9.409 1.00 0.00 O ATOM 0 H ASP A 62 0.252 -16.803 6.867 1.00 0.00 H new ATOM 0 HA ASP A 62 0.107 -14.837 8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.428 -17.023 8.972 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.461 -16.349 7.728 1.00 0.00 H new ATOM 969 N LEU A 63 1.270 -13.865 6.099 1.00 0.00 N ATOM 970 CA LEU A 63 1.610 -12.664 5.320 1.00 0.00 C ATOM 971 C LEU A 63 0.406 -11.732 5.106 1.00 0.00 C ATOM 972 O LEU A 63 0.605 -10.535 4.910 1.00 0.00 O ATOM 973 CB LEU A 63 2.230 -13.069 3.965 1.00 0.00 C ATOM 974 CG LEU A 63 3.675 -13.598 4.060 1.00 0.00 C ATOM 975 CD1 LEU A 63 4.132 -14.124 2.697 1.00 0.00 C ATOM 976 CD2 LEU A 63 4.664 -12.503 4.478 1.00 0.00 C ATOM 0 H LEU A 63 1.065 -14.676 5.516 1.00 0.00 H new ATOM 0 HA LEU A 63 2.340 -12.101 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.605 -13.835 3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.215 -12.206 3.299 1.00 0.00 H new ATOM 0 HG LEU A 63 3.668 -14.387 4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.154 -14.495 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.475 -14.934 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.093 -13.318 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.669 -12.922 4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.646 -11.697 3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.381 -12.111 5.455 1.00 0.00 H new ATOM 988 N VAL A 64 -0.833 -12.238 5.193 1.00 0.00 N ATOM 989 CA VAL A 64 -2.070 -11.438 5.072 1.00 0.00 C ATOM 990 C VAL A 64 -2.137 -10.312 6.118 1.00 0.00 C ATOM 991 O VAL A 64 -2.526 -9.193 5.786 1.00 0.00 O ATOM 992 CB VAL A 64 -3.329 -12.333 5.149 1.00 0.00 C ATOM 993 CG1 VAL A 64 -4.630 -11.533 5.047 1.00 0.00 C ATOM 994 CG2 VAL A 64 -3.363 -13.340 3.991 1.00 0.00 C ATOM 0 H VAL A 64 -1.011 -13.230 5.352 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.045 -10.968 4.089 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.264 -12.828 6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.480 -12.212 5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.681 -10.815 5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.657 -11.001 4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.259 -13.956 4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.375 -12.803 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.480 -13.977 4.037 1.00 0.00 H new ATOM 1004 N GLU A 65 -1.722 -10.576 7.360 1.00 0.00 N ATOM 1005 CA GLU A 65 -1.648 -9.583 8.447 1.00 0.00 C ATOM 1006 C GLU A 65 -0.771 -8.356 8.096 1.00 0.00 C ATOM 1007 O GLU A 65 -1.316 -7.250 8.005 1.00 0.00 O ATOM 1008 CB GLU A 65 -1.204 -10.258 9.762 1.00 0.00 C ATOM 1009 CG GLU A 65 -2.357 -10.920 10.530 1.00 0.00 C ATOM 1010 CD GLU A 65 -3.340 -9.883 11.111 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -2.937 -9.076 11.983 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -4.528 -9.875 10.705 1.00 0.00 O ATOM 0 H GLU A 65 -1.420 -11.506 7.649 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.653 -9.185 8.587 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.448 -11.010 9.538 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.732 -9.513 10.402 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.895 -11.595 9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.951 -11.527 11.339 1.00 0.00 H new ATOM 1019 N PRO A 66 0.557 -8.490 7.876 1.00 0.00 N ATOM 1020 CA PRO A 66 1.406 -7.357 7.514 1.00 0.00 C ATOM 1021 C PRO A 66 1.076 -6.771 6.131 1.00 0.00 C ATOM 1022 O PRO A 66 1.150 -5.552 5.980 1.00 0.00 O ATOM 1023 CB PRO A 66 2.847 -7.858 7.616 1.00 0.00 C ATOM 1024 CG PRO A 66 2.720 -9.364 7.401 1.00 0.00 C ATOM 1025 CD PRO A 66 1.370 -9.686 8.034 1.00 0.00 C ATOM 0 HA PRO A 66 1.236 -6.520 8.192 1.00 0.00 H new ATOM 0 HB2 PRO A 66 3.486 -7.398 6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 66 3.284 -7.627 8.588 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.742 -9.624 6.343 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.532 -9.910 7.881 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.904 -10.542 7.545 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.484 -9.944 9.087 1.00 0.00 H new ATOM 1033 N LEU A 67 0.633 -7.574 5.152 1.00 0.00 N ATOM 1034 CA LEU A 67 0.103 -7.083 3.870 1.00 0.00 C ATOM 1035 C LEU A 67 -1.022 -6.062 4.101 1.00 0.00 C ATOM 1036 O LEU A 67 -0.912 -4.917 3.664 1.00 0.00 O ATOM 1037 CB LEU A 67 -0.354 -8.279 3.008 1.00 0.00 C ATOM 1038 CG LEU A 67 -1.035 -7.924 1.671 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -0.104 -7.169 0.726 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -1.499 -9.206 0.976 1.00 0.00 C ATOM 0 H LEU A 67 0.632 -8.591 5.228 1.00 0.00 H new ATOM 0 HA LEU A 67 0.889 -6.560 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.515 -8.903 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.045 -8.883 3.596 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.880 -7.276 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.632 -6.943 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.217 -6.240 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.768 -7.784 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.980 -8.954 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.639 -9.848 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.209 -9.730 1.616 1.00 0.00 H new ATOM 1052 N CYS A 68 -2.068 -6.451 4.836 1.00 0.00 N ATOM 1053 CA CYS A 68 -3.163 -5.565 5.223 1.00 0.00 C ATOM 1054 C CYS A 68 -2.653 -4.307 5.945 1.00 0.00 C ATOM 1055 O CYS A 68 -3.002 -3.198 5.543 1.00 0.00 O ATOM 1056 CB CYS A 68 -4.166 -6.355 6.074 1.00 0.00 C ATOM 1057 SG CYS A 68 -5.628 -5.330 6.419 1.00 0.00 S ATOM 0 H CYS A 68 -2.177 -7.404 5.182 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.668 -5.207 4.326 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.464 -7.264 5.551 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.699 -6.664 7.009 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.473 -6.007 7.138 1.00 0.00 H new ATOM 1063 N ARG A 69 -1.813 -4.453 6.980 1.00 0.00 N ATOM 1064 CA ARG A 69 -1.272 -3.333 7.774 1.00 0.00 C ATOM 1065 C ARG A 69 -0.486 -2.316 6.935 1.00 0.00 C ATOM 1066 O ARG A 69 -0.758 -1.118 7.029 1.00 0.00 O ATOM 1067 CB ARG A 69 -0.460 -3.897 8.954 1.00 0.00 C ATOM 1068 CG ARG A 69 0.061 -2.805 9.902 1.00 0.00 C ATOM 1069 CD ARG A 69 0.552 -3.424 11.220 1.00 0.00 C ATOM 1070 NE ARG A 69 1.191 -2.409 12.089 1.00 0.00 N ATOM 1071 CZ ARG A 69 0.962 -2.157 13.368 1.00 0.00 C ATOM 1072 NH1 ARG A 69 0.055 -2.788 14.058 1.00 0.00 N ATOM 1073 NH2 ARG A 69 1.658 -1.248 13.991 1.00 0.00 N ATOM 0 H ARG A 69 -1.484 -5.365 7.296 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.109 -2.757 8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.083 -4.592 9.517 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.384 -4.467 8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.875 -2.259 9.425 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.731 -2.084 10.105 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.288 -3.878 11.746 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.263 -4.222 11.006 1.00 0.00 H new ATOM 0 HE ARG A 69 1.901 -1.828 11.643 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.513 -3.509 13.614 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.087 -2.561 15.042 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.381 -0.729 13.493 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.480 -1.056 14.977 1.00 0.00 H new ATOM 1087 N ARG A 70 0.462 -2.761 6.101 1.00 0.00 N ATOM 1088 CA ARG A 70 1.261 -1.881 5.222 1.00 0.00 C ATOM 1089 C ARG A 70 0.409 -1.202 4.141 1.00 0.00 C ATOM 1090 O ARG A 70 0.541 0.008 3.949 1.00 0.00 O ATOM 1091 CB ARG A 70 2.451 -2.647 4.610 1.00 0.00 C ATOM 1092 CG ARG A 70 3.499 -3.177 5.612 1.00 0.00 C ATOM 1093 CD ARG A 70 3.887 -2.212 6.745 1.00 0.00 C ATOM 1094 NE ARG A 70 5.101 -2.675 7.449 1.00 0.00 N ATOM 1095 CZ ARG A 70 5.881 -1.969 8.252 1.00 0.00 C ATOM 1096 NH1 ARG A 70 5.634 -0.738 8.588 1.00 0.00 N ATOM 1097 NH2 ARG A 70 6.968 -2.470 8.754 1.00 0.00 N ATOM 0 H ARG A 70 0.702 -3.748 6.012 1.00 0.00 H new ATOM 0 HA ARG A 70 1.660 -1.081 5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.061 -3.491 4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.955 -1.990 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.117 -4.096 6.057 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.401 -3.441 5.060 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.058 -1.216 6.336 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.063 -2.128 7.453 1.00 0.00 H new ATOM 0 HE ARG A 70 5.368 -3.648 7.299 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.803 -0.268 8.229 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.271 -0.242 9.211 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.238 -3.428 8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.552 -1.905 9.370 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.515 -1.928 3.498 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.512 -1.347 2.584 1.00 0.00 C ATOM 1113 C LEU A 71 -2.350 -0.260 3.282 1.00 0.00 C ATOM 1114 O LEU A 71 -2.426 0.866 2.795 1.00 0.00 O ATOM 1115 CB LEU A 71 -2.422 -2.444 1.992 1.00 0.00 C ATOM 1116 CG LEU A 71 -1.770 -3.393 0.966 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.775 -4.483 0.591 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.346 -2.683 -0.318 1.00 0.00 C ATOM 0 H LEU A 71 -0.594 -2.940 3.597 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.971 -0.873 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.812 -3.045 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.276 -1.961 1.517 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.875 -3.803 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.324 -5.160 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.055 -5.042 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.663 -4.025 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.894 -3.403 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.219 -2.234 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.621 -1.904 -0.081 1.00 0.00 H new ATOM 1130 N ASN A 72 -2.932 -0.575 4.444 1.00 0.00 N ATOM 1131 CA ASN A 72 -3.756 0.318 5.271 1.00 0.00 C ATOM 1132 C ASN A 72 -2.988 1.525 5.869 1.00 0.00 C ATOM 1133 O ASN A 72 -3.600 2.438 6.429 1.00 0.00 O ATOM 1134 CB ASN A 72 -4.436 -0.542 6.353 1.00 0.00 C ATOM 1135 CG ASN A 72 -5.505 0.202 7.138 1.00 0.00 C ATOM 1136 OD1 ASN A 72 -5.356 0.503 8.315 1.00 0.00 O ATOM 1137 ND2 ASN A 72 -6.631 0.495 6.526 1.00 0.00 N ATOM 0 H ASN A 72 -2.838 -1.504 4.855 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.503 0.789 4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.885 -1.416 5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.677 -0.908 7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.377 0.972 7.032 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.758 0.246 5.545 1.00 0.00 H new ATOM 1144 N THR A 73 -1.655 1.555 5.748 1.00 0.00 N ATOM 1145 CA THR A 73 -0.811 2.714 6.084 1.00 0.00 C ATOM 1146 C THR A 73 -0.679 3.652 4.877 1.00 0.00 C ATOM 1147 O THR A 73 -1.061 4.819 4.959 1.00 0.00 O ATOM 1148 CB THR A 73 0.570 2.268 6.598 1.00 0.00 C ATOM 1149 OG1 THR A 73 0.423 1.421 7.717 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.432 3.444 7.066 1.00 0.00 C ATOM 0 H THR A 73 -1.119 0.757 5.406 1.00 0.00 H new ATOM 0 HA THR A 73 -1.296 3.265 6.890 1.00 0.00 H new ATOM 0 HB THR A 73 1.051 1.766 5.759 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.032 0.568 7.433 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.394 3.072 7.418 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.590 4.132 6.236 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.926 3.966 7.878 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.153 3.161 3.746 1.00 0.00 N ATOM 1159 CA LEU A 74 0.091 3.973 2.542 1.00 0.00 C ATOM 1160 C LEU A 74 -1.189 4.426 1.816 1.00 0.00 C ATOM 1161 O LEU A 74 -1.205 5.525 1.251 1.00 0.00 O ATOM 1162 CB LEU A 74 1.002 3.187 1.582 1.00 0.00 C ATOM 1163 CG LEU A 74 2.506 3.295 1.894 1.00 0.00 C ATOM 1164 CD1 LEU A 74 3.288 2.304 1.027 1.00 0.00 C ATOM 1165 CD2 LEU A 74 3.068 4.686 1.600 1.00 0.00 C ATOM 0 H LEU A 74 0.117 2.183 3.639 1.00 0.00 H new ATOM 0 HA LEU A 74 0.576 4.891 2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.714 2.136 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.829 3.541 0.566 1.00 0.00 H new ATOM 0 HG LEU A 74 2.615 3.082 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.352 2.384 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.948 1.290 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.121 2.531 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.132 4.706 1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.927 4.920 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.546 5.425 2.208 1.00 0.00 H new ATOM 1177 N ASN A 75 -2.274 3.640 1.846 1.00 0.00 N ATOM 1178 CA ASN A 75 -3.541 4.021 1.205 1.00 0.00 C ATOM 1179 C ASN A 75 -4.127 5.332 1.771 1.00 0.00 C ATOM 1180 O ASN A 75 -4.746 6.099 1.036 1.00 0.00 O ATOM 1181 CB ASN A 75 -4.562 2.864 1.256 1.00 0.00 C ATOM 1182 CG ASN A 75 -5.350 2.782 2.555 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -4.821 2.915 3.644 1.00 0.00 O ATOM 1184 ND2 ASN A 75 -6.649 2.595 2.494 1.00 0.00 N ATOM 0 H ASN A 75 -2.300 2.732 2.310 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.316 4.221 0.157 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.261 2.975 0.427 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -4.034 1.922 1.104 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.200 2.563 3.351 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.106 2.482 1.589 1.00 0.00 H new ATOM 1191 N LYS A 76 -3.878 5.614 3.058 1.00 0.00 N ATOM 1192 CA LYS A 76 -4.327 6.803 3.795 1.00 0.00 C ATOM 1193 C LYS A 76 -3.863 8.098 3.121 1.00 0.00 C ATOM 1194 O LYS A 76 -4.646 9.032 2.953 1.00 0.00 O ATOM 1195 CB LYS A 76 -3.814 6.692 5.243 1.00 0.00 C ATOM 1196 CG LYS A 76 -4.672 7.488 6.235 1.00 0.00 C ATOM 1197 CD LYS A 76 -4.029 7.478 7.632 1.00 0.00 C ATOM 1198 CE LYS A 76 -5.001 7.893 8.747 1.00 0.00 C ATOM 1199 NZ LYS A 76 -5.534 9.270 8.565 1.00 0.00 N ATOM 0 H LYS A 76 -3.329 4.985 3.644 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.416 6.845 3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.800 5.643 5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.786 7.050 5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.783 8.515 5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.673 7.059 6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.649 6.478 7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.172 8.152 7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.832 7.188 8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.492 7.830 9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.184 9.497 9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.747 9.949 8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.045 9.328 7.661 1.00 0.00 H new ATOM 1213 N CYS A 77 -2.598 8.126 2.696 1.00 0.00 N ATOM 1214 CA CYS A 77 -2.016 9.198 1.890 1.00 0.00 C ATOM 1215 C CYS A 77 -2.517 9.153 0.433 1.00 0.00 C ATOM 1216 O CYS A 77 -2.945 10.178 -0.099 1.00 0.00 O ATOM 1217 CB CYS A 77 -0.486 9.094 1.984 1.00 0.00 C ATOM 1218 SG CYS A 77 0.274 10.555 1.213 1.00 0.00 S ATOM 0 H CYS A 77 -1.933 7.383 2.910 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.334 10.166 2.278 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.180 9.021 3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -0.142 8.187 1.486 1.00 0.00 H new ATOM 0 HG CYS A 77 1.568 10.465 1.296 1.00 0.00 H new ATOM 1224 N ALA A 78 -2.520 7.975 -0.206 1.00 0.00 N ATOM 1225 CA ALA A 78 -2.917 7.805 -1.611 1.00 0.00 C ATOM 1226 C ALA A 78 -4.356 8.279 -1.931 1.00 0.00 C ATOM 1227 O ALA A 78 -4.602 8.793 -3.025 1.00 0.00 O ATOM 1228 CB ALA A 78 -2.720 6.334 -2.000 1.00 0.00 C ATOM 0 H ALA A 78 -2.243 7.102 0.244 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.276 8.453 -2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.010 6.191 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.672 6.062 -1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.338 5.703 -1.361 1.00 0.00 H new ATOM 1234 N SER A 79 -5.301 8.155 -0.989 1.00 0.00 N ATOM 1235 CA SER A 79 -6.674 8.678 -1.108 1.00 0.00 C ATOM 1236 C SER A 79 -6.768 10.215 -1.136 1.00 0.00 C ATOM 1237 O SER A 79 -7.761 10.753 -1.635 1.00 0.00 O ATOM 1238 CB SER A 79 -7.542 8.166 0.051 1.00 0.00 C ATOM 1239 OG SER A 79 -7.750 6.766 -0.041 1.00 0.00 O ATOM 0 H SER A 79 -5.131 7.679 -0.103 1.00 0.00 H new ATOM 0 HA SER A 79 -7.033 8.313 -2.070 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.062 8.403 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.503 8.680 0.043 1.00 0.00 H new ATOM 0 HG SER A 79 -6.934 6.296 0.229 1.00 0.00 H new ATOM 1245 N MET A 80 -5.766 10.941 -0.626 1.00 0.00 N ATOM 1246 CA MET A 80 -5.705 12.408 -0.655 1.00 0.00 C ATOM 1247 C MET A 80 -5.141 12.895 -2.004 1.00 0.00 C ATOM 1248 O MET A 80 -3.924 12.895 -2.219 1.00 0.00 O ATOM 1249 CB MET A 80 -4.908 12.933 0.554 1.00 0.00 C ATOM 1250 CG MET A 80 -5.135 14.439 0.744 1.00 0.00 C ATOM 1251 SD MET A 80 -4.389 15.142 2.246 1.00 0.00 S ATOM 1252 CE MET A 80 -2.745 15.586 1.619 1.00 0.00 C ATOM 0 H MET A 80 -4.957 10.516 -0.172 1.00 0.00 H new ATOM 0 HA MET A 80 -6.712 12.817 -0.570 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.211 12.399 1.455 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.846 12.736 0.408 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.735 14.964 -0.123 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.208 14.630 0.765 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.158 16.033 2.421 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.240 14.691 1.255 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.848 16.301 0.803 1.00 0.00 H new ATOM 1262 N LYS A 81 -6.040 13.268 -2.927 1.00 0.00 N ATOM 1263 CA LYS A 81 -5.746 13.700 -4.308 1.00 0.00 C ATOM 1264 C LYS A 81 -4.709 14.839 -4.379 1.00 0.00 C ATOM 1265 O LYS A 81 -3.723 14.698 -5.138 1.00 0.00 O ATOM 1266 CB LYS A 81 -7.064 14.084 -5.013 1.00 0.00 C ATOM 1267 CG LYS A 81 -6.943 14.105 -6.549 1.00 0.00 C ATOM 1268 CD LYS A 81 -7.063 12.709 -7.192 1.00 0.00 C ATOM 1269 CE LYS A 81 -8.502 12.164 -7.199 1.00 0.00 C ATOM 1270 NZ LYS A 81 -9.371 12.872 -8.178 1.00 0.00 N ATOM 1271 OXT LYS A 81 -4.895 15.874 -3.696 1.00 0.00 O ATOM 0 H LYS A 81 -7.040 13.278 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.286 12.861 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.842 13.377 -4.725 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.382 15.067 -4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.718 14.753 -6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.983 14.542 -6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.695 12.756 -8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.421 12.012 -6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.484 11.100 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.929 12.261 -6.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.320 12.447 -8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.439 13.877 -7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.962 12.787 -9.130 1.00 0.00 H new TER 1285 LYS A 81