USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=16 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 53 LYS NZ :NH3+ 161:sc= 0.171 (180deg=-0.0121) USER MOD Set 1.2: A 54 ASN : amide:sc= 0.268 K(o=0.44,f=-0.96) USER MOD Set 2.1: A 17 GLN : amide:sc= -0.0244 X(o=-0.024,f=-0.27) USER MOD Set 2.2: 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+ -106:sc= 0.0805 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0304 X(o=-0.03,f=-0.12) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= 0.0282 K(o=0.028,f=-0.53) USER MOD Single : A 5 HIS : no HD1:sc= -0.0434 X(o=-0.043,f=-0.0019) USER MOD Single : A 6 HIS : no HE2:sc= -0.0561 K(o=-0.056,f=-0.59) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 21:sc= 0.406 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= 1.01 (180deg=0.575) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.0537 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= -0.0523 X(o=-0.052,f=-0.17) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc=-0.00656 X(o=-0.0066,f=-0.049) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot -22:sc= -0.301 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 73:sc= 0.231 USER MOD Single : A 75 ASN : amide:sc= -0.0274 K(o=-0.027,f=-2.4!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.675 10.446 -9.409 1.00 0.00 N ATOM 2 CA MET A 1 -13.417 11.230 -9.254 1.00 0.00 C ATOM 3 C MET A 1 -12.584 11.196 -10.540 1.00 0.00 C ATOM 4 O MET A 1 -12.815 10.350 -11.406 1.00 0.00 O ATOM 5 CB MET A 1 -12.600 10.775 -8.024 1.00 0.00 C ATOM 6 CG MET A 1 -11.852 9.442 -8.203 1.00 0.00 C ATOM 7 SD MET A 1 -11.142 8.758 -6.678 1.00 0.00 S ATOM 8 CE MET A 1 -12.619 7.996 -5.946 1.00 0.00 C ATOM 0 H1 MET A 1 -15.481 11.097 -9.499 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.612 9.853 -10.261 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.811 9.840 -8.575 1.00 0.00 H new ATOM 0 HA MET A 1 -13.698 12.267 -9.073 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.876 11.552 -7.779 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.273 10.686 -7.171 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.539 8.710 -8.628 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.051 9.585 -8.928 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.355 7.528 -4.998 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.376 8.761 -5.775 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.014 7.241 -6.626 1.00 0.00 H new ATOM 20 N HIS A 2 -11.598 12.090 -10.668 1.00 0.00 N ATOM 21 CA HIS A 2 -10.627 12.110 -11.773 1.00 0.00 C ATOM 22 C HIS A 2 -9.217 12.497 -11.282 1.00 0.00 C ATOM 23 O HIS A 2 -9.069 13.138 -10.237 1.00 0.00 O ATOM 24 CB HIS A 2 -11.144 13.071 -12.861 1.00 0.00 C ATOM 25 CG HIS A 2 -10.394 12.977 -14.167 1.00 0.00 C ATOM 26 ND1 HIS A 2 -9.478 13.889 -14.646 1.00 0.00 N ATOM 27 CD2 HIS A 2 -10.503 11.971 -15.090 1.00 0.00 C ATOM 28 CE1 HIS A 2 -9.031 13.440 -15.831 1.00 0.00 C ATOM 29 NE2 HIS A 2 -9.627 12.273 -16.142 1.00 0.00 N ATOM 0 H HIS A 2 -11.447 12.838 -9.992 1.00 0.00 H new ATOM 0 HA HIS A 2 -10.532 11.110 -12.195 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -12.199 12.864 -13.043 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -11.079 14.094 -12.489 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -11.145 11.105 -15.020 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -8.299 13.943 -16.446 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -9.471 11.716 -16.982 1.00 0.00 H new ATOM 37 N HIS A 3 -8.178 12.136 -12.046 1.00 0.00 N ATOM 38 CA HIS A 3 -6.759 12.367 -11.737 1.00 0.00 C ATOM 39 C HIS A 3 -6.065 13.101 -12.900 1.00 0.00 C ATOM 40 O HIS A 3 -5.256 12.527 -13.635 1.00 0.00 O ATOM 41 CB HIS A 3 -6.077 11.031 -11.383 1.00 0.00 C ATOM 42 CG HIS A 3 -6.594 10.375 -10.124 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.097 10.558 -8.853 1.00 0.00 N ATOM 44 CD2 HIS A 3 -7.601 9.450 -10.049 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.788 9.759 -8.020 1.00 0.00 C ATOM 46 NE2 HIS A 3 -7.716 9.066 -8.706 1.00 0.00 N ATOM 0 H HIS A 3 -8.308 11.654 -12.935 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.674 13.016 -10.865 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.206 10.340 -12.216 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.006 11.202 -11.274 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.196 9.084 -10.872 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.622 9.684 -6.955 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.377 8.390 -8.322 1.00 0.00 H new ATOM 54 N HIS A 4 -6.401 14.383 -13.090 1.00 0.00 N ATOM 55 CA HIS A 4 -5.824 15.227 -14.151 1.00 0.00 C ATOM 56 C HIS A 4 -4.339 15.557 -13.896 1.00 0.00 C ATOM 57 O HIS A 4 -3.536 15.624 -14.830 1.00 0.00 O ATOM 58 CB HIS A 4 -6.662 16.513 -14.281 1.00 0.00 C ATOM 59 CG HIS A 4 -6.470 17.247 -15.590 1.00 0.00 C ATOM 60 ND1 HIS A 4 -5.275 17.691 -16.116 1.00 0.00 N ATOM 61 CD2 HIS A 4 -7.462 17.590 -16.470 1.00 0.00 C ATOM 62 CE1 HIS A 4 -5.537 18.289 -17.291 1.00 0.00 C ATOM 63 NE2 HIS A 4 -6.856 18.252 -17.548 1.00 0.00 N ATOM 0 H HIS A 4 -7.085 14.869 -12.510 1.00 0.00 H new ATOM 0 HA HIS A 4 -5.856 14.670 -15.088 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -7.716 16.259 -14.171 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.408 17.184 -13.460 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -4.355 17.584 -15.689 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -8.517 17.388 -16.355 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -4.794 18.735 -17.936 1.00 0.00 H new ATOM 71 N HIS A 5 -3.972 15.770 -12.629 1.00 0.00 N ATOM 72 CA HIS A 5 -2.610 16.022 -12.146 1.00 0.00 C ATOM 73 C HIS A 5 -2.462 15.533 -10.689 1.00 0.00 C ATOM 74 O HIS A 5 -3.467 15.281 -10.015 1.00 0.00 O ATOM 75 CB HIS A 5 -2.324 17.532 -12.289 1.00 0.00 C ATOM 76 CG HIS A 5 -0.874 17.942 -12.170 1.00 0.00 C ATOM 77 ND1 HIS A 5 -0.417 19.101 -11.579 1.00 0.00 N ATOM 78 CD2 HIS A 5 0.207 17.302 -12.718 1.00 0.00 C ATOM 79 CE1 HIS A 5 0.915 19.156 -11.752 1.00 0.00 C ATOM 80 NE2 HIS A 5 1.340 18.076 -12.434 1.00 0.00 N ATOM 0 H HIS A 5 -4.654 15.771 -11.871 1.00 0.00 H new ATOM 0 HA HIS A 5 -1.879 15.469 -12.735 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.697 17.863 -13.258 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -2.896 18.064 -11.529 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.189 16.372 -13.267 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.552 19.952 -11.395 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.303 17.862 -12.694 1.00 0.00 H new ATOM 88 N HIS A 6 -1.230 15.405 -10.186 1.00 0.00 N ATOM 89 CA HIS A 6 -0.929 14.915 -8.834 1.00 0.00 C ATOM 90 C HIS A 6 0.154 15.782 -8.164 1.00 0.00 C ATOM 91 O HIS A 6 1.347 15.460 -8.191 1.00 0.00 O ATOM 92 CB HIS A 6 -0.568 13.419 -8.895 1.00 0.00 C ATOM 93 CG HIS A 6 -0.501 12.751 -7.539 1.00 0.00 C ATOM 94 ND1 HIS A 6 0.354 13.079 -6.507 1.00 0.00 N ATOM 95 CD2 HIS A 6 -1.282 11.710 -7.111 1.00 0.00 C ATOM 96 CE1 HIS A 6 0.087 12.263 -5.472 1.00 0.00 C ATOM 97 NE2 HIS A 6 -0.899 11.407 -5.798 1.00 0.00 N ATOM 0 H HIS A 6 -0.394 15.644 -10.719 1.00 0.00 H new ATOM 0 HA HIS A 6 -1.812 15.005 -8.201 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -1.306 12.902 -9.508 1.00 0.00 H new ATOM 0 HB3 HIS A 6 0.395 13.307 -9.393 1.00 0.00 H new ATOM 0 HD1 HIS A 6 1.064 13.811 -6.526 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -2.053 11.213 -7.682 1.00 0.00 H new ATOM 0 HE1 HIS A 6 0.591 12.291 -4.517 1.00 0.00 H new ATOM 105 N HIS A 7 -0.260 16.899 -7.560 1.00 0.00 N ATOM 106 CA HIS A 7 0.621 17.774 -6.780 1.00 0.00 C ATOM 107 C HIS A 7 1.153 17.066 -5.515 1.00 0.00 C ATOM 108 O HIS A 7 0.434 16.298 -4.867 1.00 0.00 O ATOM 109 CB HIS A 7 -0.147 19.058 -6.426 1.00 0.00 C ATOM 110 CG HIS A 7 0.686 20.117 -5.742 1.00 0.00 C ATOM 111 ND1 HIS A 7 1.919 20.583 -6.154 1.00 0.00 N ATOM 112 CD2 HIS A 7 0.337 20.811 -4.615 1.00 0.00 C ATOM 113 CE1 HIS A 7 2.313 21.529 -5.282 1.00 0.00 C ATOM 114 NE2 HIS A 7 1.378 21.705 -4.330 1.00 0.00 N ATOM 0 H HIS A 7 -1.226 17.225 -7.599 1.00 0.00 H new ATOM 0 HA HIS A 7 1.495 18.029 -7.379 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.568 19.478 -7.339 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.985 18.799 -5.779 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -0.575 20.691 -4.048 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.246 22.070 -5.338 1.00 0.00 H new ATOM 0 HE2 HIS A 7 1.419 22.362 -3.551 1.00 0.00 H new ATOM 122 N SER A 8 2.406 17.339 -5.146 1.00 0.00 N ATOM 123 CA SER A 8 3.056 16.879 -3.909 1.00 0.00 C ATOM 124 C SER A 8 4.035 17.928 -3.362 1.00 0.00 C ATOM 125 O SER A 8 4.439 18.857 -4.070 1.00 0.00 O ATOM 126 CB SER A 8 3.769 15.536 -4.146 1.00 0.00 C ATOM 127 OG SER A 8 4.781 15.646 -5.138 1.00 0.00 O ATOM 0 H SER A 8 3.024 17.910 -5.722 1.00 0.00 H new ATOM 0 HA SER A 8 2.280 16.734 -3.157 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.211 15.189 -3.212 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.040 14.786 -4.452 1.00 0.00 H new ATOM 0 HG SER A 8 5.214 14.776 -5.262 1.00 0.00 H new ATOM 133 N SER A 9 4.410 17.796 -2.088 1.00 0.00 N ATOM 134 CA SER A 9 5.373 18.652 -1.371 1.00 0.00 C ATOM 135 C SER A 9 6.045 17.894 -0.214 1.00 0.00 C ATOM 136 O SER A 9 5.647 16.780 0.138 1.00 0.00 O ATOM 137 CB SER A 9 4.661 19.908 -0.835 1.00 0.00 C ATOM 138 OG SER A 9 4.424 20.837 -1.879 1.00 0.00 O ATOM 0 H SER A 9 4.036 17.055 -1.495 1.00 0.00 H new ATOM 0 HA SER A 9 6.151 18.948 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.716 19.626 -0.372 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.269 20.373 -0.059 1.00 0.00 H new ATOM 0 HG SER A 9 4.456 20.374 -2.742 1.00 0.00 H new ATOM 144 N GLY A 10 7.064 18.510 0.391 1.00 0.00 N ATOM 145 CA GLY A 10 7.862 17.966 1.497 1.00 0.00 C ATOM 146 C GLY A 10 8.492 19.069 2.353 1.00 0.00 C ATOM 147 O GLY A 10 7.930 20.158 2.485 1.00 0.00 O ATOM 0 H GLY A 10 7.370 19.442 0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.230 17.338 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.648 17.326 1.095 1.00 0.00 H new ATOM 151 N LEU A 11 9.670 18.789 2.923 1.00 0.00 N ATOM 152 CA LEU A 11 10.515 19.707 3.714 1.00 0.00 C ATOM 153 C LEU A 11 9.927 20.109 5.092 1.00 0.00 C ATOM 154 O LEU A 11 10.466 20.998 5.757 1.00 0.00 O ATOM 155 CB LEU A 11 10.964 20.928 2.868 1.00 0.00 C ATOM 156 CG LEU A 11 11.578 20.595 1.484 1.00 0.00 C ATOM 157 CD1 LEU A 11 10.682 21.067 0.333 1.00 0.00 C ATOM 158 CD2 LEU A 11 12.938 21.270 1.295 1.00 0.00 C ATOM 0 H LEU A 11 10.088 17.862 2.843 1.00 0.00 H new ATOM 0 HA LEU A 11 11.406 19.135 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.103 21.579 2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.695 21.496 3.443 1.00 0.00 H new ATOM 0 HG LEU A 11 11.681 19.510 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.149 20.814 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.711 20.576 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.548 22.147 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.338 21.014 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.821 22.351 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.625 20.926 2.068 1.00 0.00 H new ATOM 170 N VAL A 12 8.842 19.463 5.545 1.00 0.00 N ATOM 171 CA VAL A 12 8.174 19.696 6.845 1.00 0.00 C ATOM 172 C VAL A 12 7.727 18.373 7.514 1.00 0.00 C ATOM 173 O VAL A 12 6.597 17.919 7.316 1.00 0.00 O ATOM 174 CB VAL A 12 7.064 20.770 6.714 1.00 0.00 C ATOM 175 CG1 VAL A 12 6.012 20.520 5.622 1.00 0.00 C ATOM 176 CG2 VAL A 12 6.355 21.039 8.048 1.00 0.00 C ATOM 0 H VAL A 12 8.384 18.734 4.998 1.00 0.00 H new ATOM 0 HA VAL A 12 8.900 20.115 7.542 1.00 0.00 H new ATOM 0 HB VAL A 12 7.622 21.652 6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.287 21.334 5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.502 20.471 4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.500 19.578 5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.586 21.798 7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.894 20.119 8.407 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.081 21.391 8.781 1.00 0.00 H new ATOM 186 N PRO A 13 8.608 17.701 8.289 1.00 0.00 N ATOM 187 CA PRO A 13 8.288 16.453 8.994 1.00 0.00 C ATOM 188 C PRO A 13 7.424 16.692 10.250 1.00 0.00 C ATOM 189 O PRO A 13 7.935 17.040 11.320 1.00 0.00 O ATOM 190 CB PRO A 13 9.648 15.820 9.321 1.00 0.00 C ATOM 191 CG PRO A 13 10.579 17.021 9.469 1.00 0.00 C ATOM 192 CD PRO A 13 10.019 18.028 8.464 1.00 0.00 C ATOM 0 HA PRO A 13 7.678 15.789 8.381 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.606 15.231 10.237 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.980 15.151 8.527 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.566 17.417 10.484 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.612 16.759 9.242 1.00 0.00 H new ATOM 0 HD2 PRO A 13 10.138 19.048 8.830 1.00 0.00 H new ATOM 0 HD3 PRO A 13 10.552 17.966 7.515 1.00 0.00 H new ATOM 200 N ARG A 14 6.101 16.504 10.135 1.00 0.00 N ATOM 201 CA ARG A 14 5.134 16.612 11.253 1.00 0.00 C ATOM 202 C ARG A 14 5.150 15.409 12.213 1.00 0.00 C ATOM 203 O ARG A 14 4.824 15.559 13.392 1.00 0.00 O ATOM 204 CB ARG A 14 3.728 16.854 10.665 1.00 0.00 C ATOM 205 CG ARG A 14 2.652 17.092 11.740 1.00 0.00 C ATOM 206 CD ARG A 14 1.330 17.557 11.123 1.00 0.00 C ATOM 207 NE ARG A 14 0.282 17.701 12.155 1.00 0.00 N ATOM 208 CZ ARG A 14 -0.932 18.199 11.997 1.00 0.00 C ATOM 209 NH1 ARG A 14 -1.352 18.652 10.848 1.00 0.00 N ATOM 210 NH2 ARG A 14 -1.760 18.249 13.002 1.00 0.00 N ATOM 0 H ARG A 14 5.658 16.268 9.247 1.00 0.00 H new ATOM 0 HA ARG A 14 5.435 17.457 11.873 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.764 17.716 9.999 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.442 15.994 10.059 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.488 16.172 12.301 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.006 17.840 12.450 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.478 18.510 10.615 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.005 16.840 10.368 1.00 0.00 H new ATOM 0 HE ARG A 14 0.522 17.381 13.093 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.737 18.629 10.035 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.296 19.029 10.763 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.473 17.903 13.917 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.696 18.635 12.873 1.00 0.00 H new ATOM 224 N GLY A 15 5.528 14.223 11.730 1.00 0.00 N ATOM 225 CA GLY A 15 5.470 12.958 12.473 1.00 0.00 C ATOM 226 C GLY A 15 6.158 11.795 11.750 1.00 0.00 C ATOM 227 O GLY A 15 6.838 11.987 10.740 1.00 0.00 O ATOM 0 H GLY A 15 5.894 14.111 10.784 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.936 13.096 13.448 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.427 12.698 12.653 1.00 0.00 H new ATOM 231 N SER A 16 5.962 10.572 12.255 1.00 0.00 N ATOM 232 CA SER A 16 6.564 9.325 11.737 1.00 0.00 C ATOM 233 C SER A 16 6.065 8.890 10.339 1.00 0.00 C ATOM 234 O SER A 16 6.476 7.850 9.823 1.00 0.00 O ATOM 235 CB SER A 16 6.353 8.197 12.762 1.00 0.00 C ATOM 236 OG SER A 16 7.390 7.233 12.679 1.00 0.00 O ATOM 0 H SER A 16 5.361 10.411 13.063 1.00 0.00 H new ATOM 0 HA SER A 16 7.625 9.534 11.599 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.321 8.616 13.768 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.390 7.717 12.586 1.00 0.00 H new ATOM 0 HG SER A 16 7.234 6.527 13.341 1.00 0.00 H new ATOM 242 N GLN A 17 5.181 9.670 9.701 1.00 0.00 N ATOM 243 CA GLN A 17 4.496 9.360 8.439 1.00 0.00 C ATOM 244 C GLN A 17 5.447 8.906 7.316 1.00 0.00 C ATOM 245 O GLN A 17 5.170 7.914 6.645 1.00 0.00 O ATOM 246 CB GLN A 17 3.677 10.591 8.001 1.00 0.00 C ATOM 247 CG GLN A 17 2.520 10.247 7.047 1.00 0.00 C ATOM 248 CD GLN A 17 1.377 9.483 7.727 1.00 0.00 C ATOM 249 OE1 GLN A 17 1.002 9.733 8.867 1.00 0.00 O ATOM 250 NE2 GLN A 17 0.776 8.516 7.067 1.00 0.00 N ATOM 0 H GLN A 17 4.911 10.581 10.071 1.00 0.00 H new ATOM 0 HA GLN A 17 3.839 8.510 8.622 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.274 11.084 8.886 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.341 11.305 7.513 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.126 11.168 6.618 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.905 9.650 6.221 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.069 8.288 6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.017 7.994 7.505 1.00 0.00 H new ATOM 259 N GLU A 18 6.578 9.594 7.124 1.00 0.00 N ATOM 260 CA GLU A 18 7.591 9.235 6.117 1.00 0.00 C ATOM 261 C GLU A 18 8.296 7.905 6.427 1.00 0.00 C ATOM 262 O GLU A 18 8.543 7.111 5.520 1.00 0.00 O ATOM 263 CB GLU A 18 8.653 10.343 6.005 1.00 0.00 C ATOM 264 CG GLU A 18 8.123 11.657 5.420 1.00 0.00 C ATOM 265 CD GLU A 18 7.617 11.492 3.971 1.00 0.00 C ATOM 266 OE1 GLU A 18 8.439 11.229 3.060 1.00 0.00 O ATOM 267 OE2 GLU A 18 6.393 11.631 3.732 1.00 0.00 O ATOM 0 H GLU A 18 6.821 10.423 7.666 1.00 0.00 H new ATOM 0 HA GLU A 18 7.056 9.121 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.066 10.538 6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.473 9.985 5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.312 12.029 6.045 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.913 12.407 5.443 1.00 0.00 H new ATOM 274 N ILE A 19 8.607 7.641 7.699 1.00 0.00 N ATOM 275 CA ILE A 19 9.246 6.401 8.159 1.00 0.00 C ATOM 276 C ILE A 19 8.291 5.218 7.942 1.00 0.00 C ATOM 277 O ILE A 19 8.659 4.232 7.305 1.00 0.00 O ATOM 278 CB ILE A 19 9.727 6.533 9.627 1.00 0.00 C ATOM 279 CG1 ILE A 19 10.755 7.681 9.794 1.00 0.00 C ATOM 280 CG2 ILE A 19 10.388 5.222 10.093 1.00 0.00 C ATOM 281 CD1 ILE A 19 10.144 9.031 10.197 1.00 0.00 C ATOM 0 H ILE A 19 8.418 8.297 8.456 1.00 0.00 H new ATOM 0 HA ILE A 19 10.142 6.210 7.568 1.00 0.00 H new ATOM 0 HB ILE A 19 8.847 6.753 10.231 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.487 7.389 10.547 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.295 7.807 8.856 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.721 5.329 11.125 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.667 4.407 10.027 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.245 5.000 9.457 1.00 0.00 H new ATOM 0 HD11 ILE A 19 10.935 9.775 10.291 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.434 9.351 9.435 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.629 8.927 11.152 1.00 0.00 H new ATOM 293 N GLU A 20 7.043 5.347 8.400 1.00 0.00 N ATOM 294 CA GLU A 20 5.948 4.397 8.160 1.00 0.00 C ATOM 295 C GLU A 20 5.724 4.120 6.658 1.00 0.00 C ATOM 296 O GLU A 20 5.655 2.961 6.247 1.00 0.00 O ATOM 297 CB GLU A 20 4.664 4.938 8.812 1.00 0.00 C ATOM 298 CG GLU A 20 4.654 4.857 10.347 1.00 0.00 C ATOM 299 CD GLU A 20 4.666 3.407 10.882 1.00 0.00 C ATOM 300 OE1 GLU A 20 3.907 2.547 10.374 1.00 0.00 O ATOM 301 OE2 GLU A 20 5.426 3.117 11.840 1.00 0.00 O ATOM 0 H GLU A 20 6.755 6.143 8.969 1.00 0.00 H new ATOM 0 HA GLU A 20 6.221 3.443 8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.529 5.978 8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.811 4.381 8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.522 5.388 10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.769 5.369 10.725 1.00 0.00 H new ATOM 308 N ALA A 21 5.661 5.165 5.825 1.00 0.00 N ATOM 309 CA ALA A 21 5.562 5.072 4.366 1.00 0.00 C ATOM 310 C ALA A 21 6.734 4.298 3.729 1.00 0.00 C ATOM 311 O ALA A 21 6.515 3.402 2.907 1.00 0.00 O ATOM 312 CB ALA A 21 5.476 6.497 3.801 1.00 0.00 C ATOM 0 H ALA A 21 5.678 6.128 6.159 1.00 0.00 H new ATOM 0 HA ALA A 21 4.666 4.503 4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.401 6.454 2.714 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.596 6.996 4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.370 7.054 4.081 1.00 0.00 H new ATOM 318 N LYS A 22 7.977 4.627 4.112 1.00 0.00 N ATOM 319 CA LYS A 22 9.199 3.956 3.637 1.00 0.00 C ATOM 320 C LYS A 22 9.183 2.471 3.992 1.00 0.00 C ATOM 321 O LYS A 22 9.385 1.635 3.114 1.00 0.00 O ATOM 322 CB LYS A 22 10.440 4.701 4.174 1.00 0.00 C ATOM 323 CG LYS A 22 11.741 4.407 3.401 1.00 0.00 C ATOM 324 CD LYS A 22 12.546 3.151 3.783 1.00 0.00 C ATOM 325 CE LYS A 22 13.474 3.356 4.989 1.00 0.00 C ATOM 326 NZ LYS A 22 12.773 3.169 6.283 1.00 0.00 N ATOM 0 H LYS A 22 8.166 5.381 4.773 1.00 0.00 H new ATOM 0 HA LYS A 22 9.243 3.997 2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.247 5.773 4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.585 4.434 5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.490 4.333 2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.397 5.270 3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.853 2.339 4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.142 2.838 2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.307 2.655 4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.898 4.359 4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.470 3.133 7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.121 3.964 6.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.235 2.279 6.261 1.00 0.00 H new ATOM 340 N GLU A 23 8.890 2.131 5.250 1.00 0.00 N ATOM 341 CA GLU A 23 8.753 0.737 5.692 1.00 0.00 C ATOM 342 C GLU A 23 7.625 -0.015 4.976 1.00 0.00 C ATOM 343 O GLU A 23 7.802 -1.187 4.656 1.00 0.00 O ATOM 344 CB GLU A 23 8.544 0.641 7.215 1.00 0.00 C ATOM 345 CG GLU A 23 9.778 1.036 8.039 1.00 0.00 C ATOM 346 CD GLU A 23 10.990 0.159 7.679 1.00 0.00 C ATOM 347 OE1 GLU A 23 11.051 -1.021 8.103 1.00 0.00 O ATOM 348 OE2 GLU A 23 11.881 0.653 6.948 1.00 0.00 O ATOM 0 H GLU A 23 8.741 2.814 5.993 1.00 0.00 H new ATOM 0 HA GLU A 23 9.695 0.257 5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.710 1.283 7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.261 -0.381 7.469 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.018 2.084 7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.556 0.937 9.102 1.00 0.00 H new ATOM 355 N ALA A 24 6.485 0.624 4.691 1.00 0.00 N ATOM 356 CA ALA A 24 5.405 0.018 3.908 1.00 0.00 C ATOM 357 C ALA A 24 5.862 -0.381 2.494 1.00 0.00 C ATOM 358 O ALA A 24 5.685 -1.531 2.089 1.00 0.00 O ATOM 359 CB ALA A 24 4.201 0.970 3.888 1.00 0.00 C ATOM 0 H ALA A 24 6.286 1.576 4.997 1.00 0.00 H new ATOM 0 HA ALA A 24 5.104 -0.914 4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.394 0.524 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.859 1.146 4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.494 1.917 3.435 1.00 0.00 H new ATOM 365 N CYS A 25 6.482 0.549 1.759 1.00 0.00 N ATOM 366 CA CYS A 25 7.038 0.305 0.428 1.00 0.00 C ATOM 367 C CYS A 25 8.132 -0.785 0.441 1.00 0.00 C ATOM 368 O CYS A 25 8.051 -1.755 -0.316 1.00 0.00 O ATOM 369 CB CYS A 25 7.553 1.642 -0.126 1.00 0.00 C ATOM 370 SG CYS A 25 8.077 1.443 -1.853 1.00 0.00 S ATOM 0 H CYS A 25 6.612 1.508 2.080 1.00 0.00 H new ATOM 0 HA CYS A 25 6.259 -0.084 -0.227 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.770 2.397 -0.060 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.389 1.996 0.477 1.00 0.00 H new ATOM 0 HG CYS A 25 8.508 2.581 -2.310 1.00 0.00 H new ATOM 376 N ASP A 26 9.145 -0.650 1.304 1.00 0.00 N ATOM 377 CA ASP A 26 10.296 -1.562 1.374 1.00 0.00 C ATOM 378 C ASP A 26 9.920 -2.976 1.852 1.00 0.00 C ATOM 379 O ASP A 26 10.420 -3.959 1.301 1.00 0.00 O ATOM 380 CB ASP A 26 11.394 -0.980 2.281 1.00 0.00 C ATOM 381 CG ASP A 26 12.298 0.062 1.590 1.00 0.00 C ATOM 382 OD1 ASP A 26 11.883 0.724 0.609 1.00 0.00 O ATOM 383 OD2 ASP A 26 13.465 0.209 2.028 1.00 0.00 O ATOM 0 H ASP A 26 9.190 0.108 1.985 1.00 0.00 H new ATOM 0 HA ASP A 26 10.671 -1.658 0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.925 -0.518 3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.015 -1.796 2.650 1.00 0.00 H new ATOM 388 N TRP A 27 9.034 -3.109 2.850 1.00 0.00 N ATOM 389 CA TRP A 27 8.600 -4.418 3.354 1.00 0.00 C ATOM 390 C TRP A 27 7.900 -5.250 2.274 1.00 0.00 C ATOM 391 O TRP A 27 8.192 -6.437 2.133 1.00 0.00 O ATOM 392 CB TRP A 27 7.699 -4.264 4.587 1.00 0.00 C ATOM 393 CG TRP A 27 7.228 -5.576 5.138 1.00 0.00 C ATOM 394 CD1 TRP A 27 7.895 -6.332 6.040 1.00 0.00 C ATOM 395 CD2 TRP A 27 6.061 -6.359 4.739 1.00 0.00 C ATOM 396 NE1 TRP A 27 7.236 -7.536 6.207 1.00 0.00 N ATOM 397 CE2 TRP A 27 6.133 -7.627 5.386 1.00 0.00 C ATOM 398 CE3 TRP A 27 4.980 -6.147 3.853 1.00 0.00 C ATOM 399 CZ2 TRP A 27 5.215 -8.654 5.122 1.00 0.00 C ATOM 400 CZ3 TRP A 27 4.034 -7.159 3.604 1.00 0.00 C ATOM 401 CH2 TRP A 27 4.164 -8.418 4.214 1.00 0.00 C ATOM 0 H TRP A 27 8.601 -2.318 3.327 1.00 0.00 H new ATOM 0 HA TRP A 27 9.500 -4.958 3.648 1.00 0.00 H new ATOM 0 HB2 TRP A 27 8.243 -3.725 5.363 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.834 -3.656 4.324 1.00 0.00 H new ATOM 0 HD1 TRP A 27 8.801 -6.041 6.550 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.530 -8.266 6.857 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.878 -5.192 3.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 5.313 -9.613 5.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.204 -6.967 2.941 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.459 -9.204 3.987 1.00 0.00 H new ATOM 412 N LEU A 28 7.021 -4.636 1.471 1.00 0.00 N ATOM 413 CA LEU A 28 6.309 -5.307 0.372 1.00 0.00 C ATOM 414 C LEU A 28 7.256 -5.955 -0.657 1.00 0.00 C ATOM 415 O LEU A 28 6.911 -6.988 -1.238 1.00 0.00 O ATOM 416 CB LEU A 28 5.358 -4.296 -0.298 1.00 0.00 C ATOM 417 CG LEU A 28 4.040 -4.051 0.464 1.00 0.00 C ATOM 418 CD1 LEU A 28 3.320 -2.826 -0.105 1.00 0.00 C ATOM 419 CD2 LEU A 28 3.091 -5.247 0.353 1.00 0.00 C ATOM 0 H LEU A 28 6.781 -3.649 1.566 1.00 0.00 H new ATOM 0 HA LEU A 28 5.735 -6.131 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.880 -3.346 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.122 -4.650 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 28 4.303 -3.895 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.391 -2.664 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.959 -1.949 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.097 -2.992 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.174 -5.036 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.853 -5.426 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.570 -6.132 0.772 1.00 0.00 H new ATOM 431 N ARG A 29 8.468 -5.408 -0.847 1.00 0.00 N ATOM 432 CA ARG A 29 9.535 -6.032 -1.654 1.00 0.00 C ATOM 433 C ARG A 29 10.001 -7.350 -1.021 1.00 0.00 C ATOM 434 O ARG A 29 9.892 -8.409 -1.641 1.00 0.00 O ATOM 435 CB ARG A 29 10.736 -5.083 -1.865 1.00 0.00 C ATOM 436 CG ARG A 29 10.420 -3.626 -2.231 1.00 0.00 C ATOM 437 CD ARG A 29 9.474 -3.464 -3.425 1.00 0.00 C ATOM 438 NE ARG A 29 9.445 -2.059 -3.880 1.00 0.00 N ATOM 439 CZ ARG A 29 10.240 -1.491 -4.769 1.00 0.00 C ATOM 440 NH1 ARG A 29 11.158 -2.160 -5.409 1.00 0.00 N ATOM 441 NH2 ARG A 29 10.131 -0.223 -5.039 1.00 0.00 N ATOM 0 H ARG A 29 8.739 -4.512 -0.442 1.00 0.00 H new ATOM 0 HA ARG A 29 9.108 -6.244 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.330 -5.081 -0.951 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.363 -5.501 -2.652 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.979 -3.134 -1.364 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.354 -3.109 -2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.797 -4.110 -4.242 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.470 -3.782 -3.146 1.00 0.00 H new ATOM 0 HE ARG A 29 8.732 -1.461 -3.461 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.281 -3.157 -5.230 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.753 -1.687 -6.089 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.427 0.341 -4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.749 0.207 -5.727 1.00 0.00 H new ATOM 455 N ALA A 30 10.485 -7.287 0.222 1.00 0.00 N ATOM 456 CA ALA A 30 10.994 -8.427 0.990 1.00 0.00 C ATOM 457 C ALA A 30 9.936 -9.525 1.243 1.00 0.00 C ATOM 458 O ALA A 30 10.271 -10.710 1.315 1.00 0.00 O ATOM 459 CB ALA A 30 11.564 -7.891 2.311 1.00 0.00 C ATOM 0 H ALA A 30 10.535 -6.410 0.740 1.00 0.00 H new ATOM 0 HA ALA A 30 11.770 -8.917 0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.951 -8.720 2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 30 12.370 -7.188 2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.776 -7.383 2.868 1.00 0.00 H new ATOM 465 N ALA A 31 8.658 -9.144 1.329 1.00 0.00 N ATOM 466 CA ALA A 31 7.502 -10.031 1.458 1.00 0.00 C ATOM 467 C ALA A 31 7.228 -10.914 0.222 1.00 0.00 C ATOM 468 O ALA A 31 6.457 -11.874 0.313 1.00 0.00 O ATOM 469 CB ALA A 31 6.287 -9.148 1.744 1.00 0.00 C ATOM 0 H ALA A 31 8.390 -8.160 1.309 1.00 0.00 H new ATOM 0 HA ALA A 31 7.711 -10.734 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.400 -9.773 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.450 -8.593 2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.144 -8.448 0.921 1.00 0.00 H new ATOM 475 N GLY A 32 7.833 -10.603 -0.931 1.00 0.00 N ATOM 476 CA GLY A 32 7.623 -11.314 -2.197 1.00 0.00 C ATOM 477 C GLY A 32 6.468 -10.769 -3.051 1.00 0.00 C ATOM 478 O GLY A 32 6.083 -11.421 -4.025 1.00 0.00 O ATOM 0 H GLY A 32 8.497 -9.833 -1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.542 -11.269 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.434 -12.366 -1.981 1.00 0.00 H new ATOM 482 N PHE A 33 5.922 -9.589 -2.720 1.00 0.00 N ATOM 483 CA PHE A 33 4.831 -8.932 -3.455 1.00 0.00 C ATOM 484 C PHE A 33 5.167 -7.463 -3.816 1.00 0.00 C ATOM 485 O PHE A 33 4.459 -6.537 -3.400 1.00 0.00 O ATOM 486 CB PHE A 33 3.517 -9.069 -2.662 1.00 0.00 C ATOM 487 CG PHE A 33 3.114 -10.484 -2.284 1.00 0.00 C ATOM 488 CD1 PHE A 33 2.647 -11.371 -3.274 1.00 0.00 C ATOM 489 CD2 PHE A 33 3.180 -10.908 -0.942 1.00 0.00 C ATOM 490 CE1 PHE A 33 2.252 -12.674 -2.923 1.00 0.00 C ATOM 491 CE2 PHE A 33 2.783 -12.213 -0.593 1.00 0.00 C ATOM 492 CZ PHE A 33 2.318 -13.096 -1.584 1.00 0.00 C ATOM 0 H PHE A 33 6.236 -9.051 -1.912 1.00 0.00 H new ATOM 0 HA PHE A 33 4.701 -9.437 -4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.604 -8.480 -1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.713 -8.628 -3.250 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.592 -11.050 -4.304 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.536 -10.231 -0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.897 -13.353 -3.685 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.836 -12.536 0.436 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.012 -14.097 -1.317 1.00 0.00 H new ATOM 502 N PRO A 34 6.226 -7.215 -4.621 1.00 0.00 N ATOM 503 CA PRO A 34 6.678 -5.862 -4.969 1.00 0.00 C ATOM 504 C PRO A 34 5.702 -5.092 -5.876 1.00 0.00 C ATOM 505 O PRO A 34 5.781 -3.866 -5.956 1.00 0.00 O ATOM 506 CB PRO A 34 8.036 -6.061 -5.656 1.00 0.00 C ATOM 507 CG PRO A 34 7.914 -7.445 -6.289 1.00 0.00 C ATOM 508 CD PRO A 34 7.086 -8.206 -5.256 1.00 0.00 C ATOM 0 HA PRO A 34 6.742 -5.245 -4.073 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.224 -5.292 -6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.858 -6.017 -4.941 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.418 -7.406 -7.259 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.889 -7.906 -6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.495 -8.989 -5.730 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.729 -8.692 -4.522 1.00 0.00 H new ATOM 516 N GLN A 35 4.757 -5.784 -6.527 1.00 0.00 N ATOM 517 CA GLN A 35 3.697 -5.192 -7.350 1.00 0.00 C ATOM 518 C GLN A 35 2.897 -4.133 -6.577 1.00 0.00 C ATOM 519 O GLN A 35 2.727 -3.015 -7.063 1.00 0.00 O ATOM 520 CB GLN A 35 2.784 -6.314 -7.881 1.00 0.00 C ATOM 521 CG GLN A 35 1.697 -5.791 -8.834 1.00 0.00 C ATOM 522 CD GLN A 35 0.795 -6.921 -9.328 1.00 0.00 C ATOM 523 OE1 GLN A 35 1.060 -7.577 -10.328 1.00 0.00 O ATOM 524 NE2 GLN A 35 -0.296 -7.202 -8.647 1.00 0.00 N ATOM 0 H GLN A 35 4.709 -6.802 -6.493 1.00 0.00 H new ATOM 0 HA GLN A 35 4.155 -4.674 -8.193 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.391 -7.056 -8.400 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.311 -6.821 -7.040 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.094 -5.040 -8.323 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.165 -5.299 -9.686 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.529 -6.664 -7.812 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.908 -7.958 -8.954 1.00 0.00 H new ATOM 533 N TYR A 36 2.436 -4.453 -5.362 1.00 0.00 N ATOM 534 CA TYR A 36 1.687 -3.514 -4.521 1.00 0.00 C ATOM 535 C TYR A 36 2.468 -2.213 -4.294 1.00 0.00 C ATOM 536 O TYR A 36 1.933 -1.135 -4.538 1.00 0.00 O ATOM 537 CB TYR A 36 1.306 -4.175 -3.192 1.00 0.00 C ATOM 538 CG TYR A 36 0.328 -5.330 -3.315 1.00 0.00 C ATOM 539 CD1 TYR A 36 -0.983 -5.109 -3.780 1.00 0.00 C ATOM 540 CD2 TYR A 36 0.731 -6.630 -2.954 1.00 0.00 C ATOM 541 CE1 TYR A 36 -1.884 -6.187 -3.897 1.00 0.00 C ATOM 542 CE2 TYR A 36 -0.161 -7.714 -3.077 1.00 0.00 C ATOM 543 CZ TYR A 36 -1.475 -7.493 -3.549 1.00 0.00 C ATOM 544 OH TYR A 36 -2.352 -8.529 -3.665 1.00 0.00 O ATOM 0 H TYR A 36 2.572 -5.369 -4.935 1.00 0.00 H new ATOM 0 HA TYR A 36 0.770 -3.248 -5.046 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.214 -4.535 -2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.874 -3.419 -2.537 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.299 -4.111 -4.048 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.730 -6.797 -2.580 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.889 -6.014 -4.253 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.158 -8.711 -2.811 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.915 -9.361 -3.387 1.00 0.00 H new ATOM 554 N ALA A 37 3.746 -2.298 -3.907 1.00 0.00 N ATOM 555 CA ALA A 37 4.629 -1.141 -3.735 1.00 0.00 C ATOM 556 C ALA A 37 4.827 -0.325 -5.029 1.00 0.00 C ATOM 557 O ALA A 37 4.752 0.903 -4.997 1.00 0.00 O ATOM 558 CB ALA A 37 5.967 -1.628 -3.173 1.00 0.00 C ATOM 0 H ALA A 37 4.202 -3.187 -3.702 1.00 0.00 H new ATOM 0 HA ALA A 37 4.154 -0.454 -3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.636 -0.778 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.802 -2.115 -2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.417 -2.338 -3.867 1.00 0.00 H new ATOM 564 N GLN A 38 5.037 -0.981 -6.177 1.00 0.00 N ATOM 565 CA GLN A 38 5.130 -0.321 -7.492 1.00 0.00 C ATOM 566 C GLN A 38 3.870 0.493 -7.853 1.00 0.00 C ATOM 567 O GLN A 38 3.970 1.540 -8.498 1.00 0.00 O ATOM 568 CB GLN A 38 5.423 -1.372 -8.577 1.00 0.00 C ATOM 569 CG GLN A 38 6.911 -1.747 -8.652 1.00 0.00 C ATOM 570 CD GLN A 38 7.774 -0.633 -9.253 1.00 0.00 C ATOM 571 OE1 GLN A 38 7.457 -0.029 -10.271 1.00 0.00 O ATOM 572 NE2 GLN A 38 8.900 -0.306 -8.656 1.00 0.00 N ATOM 0 H GLN A 38 5.149 -1.994 -6.223 1.00 0.00 H new ATOM 0 HA GLN A 38 5.949 0.396 -7.436 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.836 -2.268 -8.377 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.100 -0.989 -9.545 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.273 -1.981 -7.651 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.024 -2.651 -9.251 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.187 -0.793 -7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.486 0.435 -9.042 1.00 0.00 H new ATOM 581 N LEU A 39 2.690 0.057 -7.402 1.00 0.00 N ATOM 582 CA LEU A 39 1.400 0.737 -7.582 1.00 0.00 C ATOM 583 C LEU A 39 1.197 1.976 -6.671 1.00 0.00 C ATOM 584 O LEU A 39 0.174 2.654 -6.801 1.00 0.00 O ATOM 585 CB LEU A 39 0.277 -0.319 -7.436 1.00 0.00 C ATOM 586 CG LEU A 39 -0.184 -0.938 -8.774 1.00 0.00 C ATOM 587 CD1 LEU A 39 0.914 -1.657 -9.562 1.00 0.00 C ATOM 588 CD2 LEU A 39 -1.294 -1.960 -8.509 1.00 0.00 C ATOM 0 H LEU A 39 2.602 -0.815 -6.880 1.00 0.00 H new ATOM 0 HA LEU A 39 1.373 1.168 -8.583 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.626 -1.117 -6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.581 0.143 -6.947 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.518 -0.093 -9.376 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.496 -2.058 -10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.711 -0.953 -9.801 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.318 -2.473 -8.962 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.619 -2.397 -9.453 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.916 -2.747 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.138 -1.464 -8.029 1.00 0.00 H new ATOM 600 N TYR A 40 2.148 2.319 -5.785 1.00 0.00 N ATOM 601 CA TYR A 40 2.090 3.507 -4.915 1.00 0.00 C ATOM 602 C TYR A 40 2.020 4.824 -5.703 1.00 0.00 C ATOM 603 O TYR A 40 1.063 5.583 -5.560 1.00 0.00 O ATOM 604 CB TYR A 40 3.284 3.535 -3.940 1.00 0.00 C ATOM 605 CG TYR A 40 3.336 4.742 -3.012 1.00 0.00 C ATOM 606 CD1 TYR A 40 2.166 5.230 -2.389 1.00 0.00 C ATOM 607 CD2 TYR A 40 4.569 5.383 -2.774 1.00 0.00 C ATOM 608 CE1 TYR A 40 2.221 6.374 -1.569 1.00 0.00 C ATOM 609 CE2 TYR A 40 4.631 6.514 -1.935 1.00 0.00 C ATOM 610 CZ TYR A 40 3.456 7.019 -1.338 1.00 0.00 C ATOM 611 OH TYR A 40 3.524 8.124 -0.544 1.00 0.00 O ATOM 0 H TYR A 40 2.995 1.767 -5.651 1.00 0.00 H new ATOM 0 HA TYR A 40 1.163 3.424 -4.347 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.257 2.631 -3.332 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.207 3.503 -4.520 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.225 4.723 -2.542 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.469 5.006 -3.236 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.319 6.758 -1.117 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.580 6.995 -1.749 1.00 0.00 H new ATOM 0 HH TYR A 40 4.452 8.435 -0.496 1.00 0.00 H new ATOM 621 N GLU A 41 3.019 5.099 -6.551 1.00 0.00 N ATOM 622 CA GLU A 41 3.089 6.340 -7.345 1.00 0.00 C ATOM 623 C GLU A 41 1.950 6.459 -8.377 1.00 0.00 C ATOM 624 O GLU A 41 1.592 7.565 -8.784 1.00 0.00 O ATOM 625 CB GLU A 41 4.448 6.444 -8.055 1.00 0.00 C ATOM 626 CG GLU A 41 5.613 6.623 -7.073 1.00 0.00 C ATOM 627 CD GLU A 41 6.933 6.878 -7.830 1.00 0.00 C ATOM 628 OE1 GLU A 41 7.640 5.901 -8.177 1.00 0.00 O ATOM 629 OE2 GLU A 41 7.275 8.060 -8.081 1.00 0.00 O ATOM 0 H GLU A 41 3.805 4.468 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 41 2.973 7.165 -6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.613 5.545 -8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.429 7.285 -8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.405 7.458 -6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.711 5.733 -6.452 1.00 0.00 H new ATOM 636 N ASP A 42 1.343 5.334 -8.770 1.00 0.00 N ATOM 637 CA ASP A 42 0.157 5.278 -9.635 1.00 0.00 C ATOM 638 C ASP A 42 -1.167 5.547 -8.878 1.00 0.00 C ATOM 639 O ASP A 42 -2.235 5.608 -9.489 1.00 0.00 O ATOM 640 CB ASP A 42 0.127 3.917 -10.352 1.00 0.00 C ATOM 641 CG ASP A 42 -0.513 4.020 -11.750 1.00 0.00 C ATOM 642 OD1 ASP A 42 0.052 4.729 -12.619 1.00 0.00 O ATOM 643 OD2 ASP A 42 -1.551 3.367 -12.007 1.00 0.00 O ATOM 0 H ASP A 42 1.672 4.411 -8.488 1.00 0.00 H new ATOM 0 HA ASP A 42 0.237 6.082 -10.366 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.143 3.533 -10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.431 3.201 -9.749 1.00 0.00 H new ATOM 648 N SER A 43 -1.110 5.720 -7.548 1.00 0.00 N ATOM 649 CA SER A 43 -2.242 5.891 -6.620 1.00 0.00 C ATOM 650 C SER A 43 -3.244 4.716 -6.640 1.00 0.00 C ATOM 651 O SER A 43 -4.445 4.878 -6.418 1.00 0.00 O ATOM 652 CB SER A 43 -2.890 7.271 -6.831 1.00 0.00 C ATOM 653 OG SER A 43 -3.528 7.733 -5.649 1.00 0.00 O ATOM 0 H SER A 43 -0.215 5.746 -7.060 1.00 0.00 H new ATOM 0 HA SER A 43 -1.849 5.865 -5.604 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.129 7.988 -7.139 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.618 7.212 -7.640 1.00 0.00 H new ATOM 0 HG SER A 43 -3.928 8.612 -5.815 1.00 0.00 H new ATOM 659 N GLN A 44 -2.746 3.504 -6.910 1.00 0.00 N ATOM 660 CA GLN A 44 -3.516 2.255 -7.035 1.00 0.00 C ATOM 661 C GLN A 44 -3.490 1.390 -5.753 1.00 0.00 C ATOM 662 O GLN A 44 -3.828 0.209 -5.800 1.00 0.00 O ATOM 663 CB GLN A 44 -3.016 1.487 -8.275 1.00 0.00 C ATOM 664 CG GLN A 44 -3.466 2.100 -9.610 1.00 0.00 C ATOM 665 CD GLN A 44 -4.947 1.882 -9.921 1.00 0.00 C ATOM 666 OE1 GLN A 44 -5.483 0.783 -9.836 1.00 0.00 O ATOM 667 NE2 GLN A 44 -5.674 2.908 -10.310 1.00 0.00 N ATOM 0 H GLN A 44 -1.747 3.357 -7.055 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.567 2.510 -7.168 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.927 1.450 -8.252 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.371 0.458 -8.221 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.261 3.170 -9.595 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.868 1.672 -10.415 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.251 3.833 -10.388 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.661 2.778 -10.533 1.00 0.00 H new ATOM 676 N PHE A 45 -3.099 1.945 -4.599 1.00 0.00 N ATOM 677 CA PHE A 45 -3.219 1.289 -3.284 1.00 0.00 C ATOM 678 C PHE A 45 -4.676 0.926 -2.899 1.00 0.00 C ATOM 679 O PHE A 45 -4.933 -0.250 -2.627 1.00 0.00 O ATOM 680 CB PHE A 45 -2.520 2.126 -2.195 1.00 0.00 C ATOM 681 CG PHE A 45 -1.111 1.664 -1.870 1.00 0.00 C ATOM 682 CD1 PHE A 45 -0.152 1.521 -2.888 1.00 0.00 C ATOM 683 CD2 PHE A 45 -0.762 1.346 -0.544 1.00 0.00 C ATOM 684 CE1 PHE A 45 1.138 1.062 -2.578 1.00 0.00 C ATOM 685 CE2 PHE A 45 0.528 0.870 -0.241 1.00 0.00 C ATOM 686 CZ PHE A 45 1.481 0.725 -1.260 1.00 0.00 C ATOM 0 H PHE A 45 -2.684 2.875 -4.548 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.705 0.331 -3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.485 3.167 -2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.120 2.095 -1.286 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.408 1.764 -3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.488 1.468 0.246 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.874 0.967 -3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.784 0.616 0.777 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.470 0.357 -1.032 1.00 0.00 H new ATOM 696 N PRO A 46 -5.639 1.875 -2.855 1.00 0.00 N ATOM 697 CA PRO A 46 -7.039 1.581 -2.526 1.00 0.00 C ATOM 698 C PRO A 46 -7.782 0.866 -3.674 1.00 0.00 C ATOM 699 O PRO A 46 -8.489 1.494 -4.467 1.00 0.00 O ATOM 700 CB PRO A 46 -7.666 2.932 -2.155 1.00 0.00 C ATOM 701 CG PRO A 46 -6.839 3.946 -2.943 1.00 0.00 C ATOM 702 CD PRO A 46 -5.448 3.318 -2.974 1.00 0.00 C ATOM 0 HA PRO A 46 -7.112 0.877 -1.697 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.719 2.974 -2.432 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.611 3.118 -1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.236 4.095 -3.947 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.829 4.921 -2.457 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.932 3.565 -3.902 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.834 3.696 -2.157 1.00 0.00 H new ATOM 710 N ILE A 47 -7.644 -0.464 -3.748 1.00 0.00 N ATOM 711 CA ILE A 47 -8.328 -1.345 -4.716 1.00 0.00 C ATOM 712 C ILE A 47 -8.993 -2.551 -4.029 1.00 0.00 C ATOM 713 O ILE A 47 -8.604 -3.703 -4.220 1.00 0.00 O ATOM 714 CB ILE A 47 -7.396 -1.757 -5.882 1.00 0.00 C ATOM 715 CG1 ILE A 47 -6.075 -2.420 -5.415 1.00 0.00 C ATOM 716 CG2 ILE A 47 -7.108 -0.544 -6.784 1.00 0.00 C ATOM 717 CD1 ILE A 47 -5.476 -3.344 -6.480 1.00 0.00 C ATOM 0 H ILE A 47 -7.032 -0.979 -3.115 1.00 0.00 H new ATOM 0 HA ILE A 47 -9.137 -0.766 -5.162 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.928 -2.519 -6.451 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.352 -1.644 -5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.260 -2.991 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.452 -0.845 -7.600 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.044 -0.164 -7.192 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.624 0.238 -6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.552 -3.783 -6.103 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.186 -4.137 -6.714 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.263 -2.770 -7.382 1.00 0.00 H new ATOM 729 N ASN A 48 -10.025 -2.279 -3.221 1.00 0.00 N ATOM 730 CA ASN A 48 -10.765 -3.270 -2.425 1.00 0.00 C ATOM 731 C ASN A 48 -9.822 -4.187 -1.610 1.00 0.00 C ATOM 732 O ASN A 48 -9.789 -5.409 -1.780 1.00 0.00 O ATOM 733 CB ASN A 48 -11.747 -4.015 -3.355 1.00 0.00 C ATOM 734 CG ASN A 48 -12.759 -4.885 -2.625 1.00 0.00 C ATOM 735 OD1 ASN A 48 -12.829 -4.947 -1.403 1.00 0.00 O ATOM 736 ND2 ASN A 48 -13.593 -5.579 -3.364 1.00 0.00 N ATOM 0 H ASN A 48 -10.381 -1.331 -3.098 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.358 -2.771 -1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.283 -3.283 -3.960 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.176 -4.640 -4.042 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.298 -6.169 -2.921 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.536 -5.529 -4.381 1.00 0.00 H new ATOM 743 N ILE A 49 -9.034 -3.575 -0.715 1.00 0.00 N ATOM 744 CA ILE A 49 -8.015 -4.251 0.114 1.00 0.00 C ATOM 745 C ILE A 49 -8.631 -5.414 0.916 1.00 0.00 C ATOM 746 O ILE A 49 -8.021 -6.475 1.049 1.00 0.00 O ATOM 747 CB ILE A 49 -7.282 -3.231 1.025 1.00 0.00 C ATOM 748 CG1 ILE A 49 -6.560 -2.149 0.180 1.00 0.00 C ATOM 749 CG2 ILE A 49 -6.261 -3.937 1.942 1.00 0.00 C ATOM 750 CD1 ILE A 49 -6.150 -0.906 0.982 1.00 0.00 C ATOM 0 H ILE A 49 -9.085 -2.571 -0.540 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.267 -4.688 -0.548 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.038 -2.749 1.646 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.670 -2.588 -0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.214 -1.843 -0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.763 -3.198 2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.778 -4.659 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.520 -4.454 1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.651 -0.196 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.037 -0.441 1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.470 -1.197 1.782 1.00 0.00 H new ATOM 762 N VAL A 50 -9.872 -5.243 1.391 1.00 0.00 N ATOM 763 CA VAL A 50 -10.655 -6.244 2.137 1.00 0.00 C ATOM 764 C VAL A 50 -10.875 -7.542 1.340 1.00 0.00 C ATOM 765 O VAL A 50 -10.840 -8.628 1.919 1.00 0.00 O ATOM 766 CB VAL A 50 -11.996 -5.652 2.622 1.00 0.00 C ATOM 767 CG1 VAL A 50 -12.742 -6.615 3.555 1.00 0.00 C ATOM 768 CG2 VAL A 50 -11.782 -4.346 3.407 1.00 0.00 C ATOM 0 H VAL A 50 -10.381 -4.368 1.262 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.063 -6.514 3.012 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.581 -5.470 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.680 -6.160 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.951 -7.545 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.126 -6.825 4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.746 -3.956 3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.156 -4.543 4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.292 -3.613 2.767 1.00 0.00 H new ATOM 778 N ALA A 51 -11.038 -7.467 0.016 1.00 0.00 N ATOM 779 CA ALA A 51 -11.109 -8.652 -0.841 1.00 0.00 C ATOM 780 C ALA A 51 -9.748 -9.357 -0.971 1.00 0.00 C ATOM 781 O ALA A 51 -9.666 -10.558 -0.709 1.00 0.00 O ATOM 782 CB ALA A 51 -11.684 -8.272 -2.210 1.00 0.00 C ATOM 0 H ALA A 51 -11.124 -6.586 -0.490 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.779 -9.371 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.734 -9.158 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.685 -7.860 -2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.042 -7.527 -2.680 1.00 0.00 H new ATOM 788 N VAL A 52 -8.677 -8.643 -1.359 1.00 0.00 N ATOM 789 CA VAL A 52 -7.367 -9.276 -1.630 1.00 0.00 C ATOM 790 C VAL A 52 -6.767 -9.967 -0.397 1.00 0.00 C ATOM 791 O VAL A 52 -6.102 -10.993 -0.544 1.00 0.00 O ATOM 792 CB VAL A 52 -6.330 -8.339 -2.293 1.00 0.00 C ATOM 793 CG1 VAL A 52 -6.910 -7.649 -3.534 1.00 0.00 C ATOM 794 CG2 VAL A 52 -5.748 -7.266 -1.368 1.00 0.00 C ATOM 0 H VAL A 52 -8.689 -7.632 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.599 -10.046 -2.366 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.512 -9.006 -2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.155 -6.998 -3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.210 -8.402 -4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.778 -7.055 -3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.031 -6.659 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.552 -6.631 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.246 -7.744 -0.527 1.00 0.00 H new ATOM 804 N LYS A 53 -7.045 -9.465 0.819 1.00 0.00 N ATOM 805 CA LYS A 53 -6.693 -10.145 2.078 1.00 0.00 C ATOM 806 C LYS A 53 -7.522 -11.420 2.310 1.00 0.00 C ATOM 807 O LYS A 53 -6.953 -12.493 2.499 1.00 0.00 O ATOM 808 CB LYS A 53 -6.710 -9.163 3.271 1.00 0.00 C ATOM 809 CG LYS A 53 -8.085 -8.606 3.665 1.00 0.00 C ATOM 810 CD LYS A 53 -8.031 -7.585 4.808 1.00 0.00 C ATOM 811 CE LYS A 53 -7.655 -8.200 6.164 1.00 0.00 C ATOM 812 NZ LYS A 53 -8.736 -9.071 6.707 1.00 0.00 N ATOM 0 H LYS A 53 -7.521 -8.574 0.957 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.664 -10.495 1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.283 -9.668 4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.055 -8.325 3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.541 -8.138 2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.732 -9.433 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.308 -6.809 4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.003 -7.099 4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.741 -8.784 6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.441 -7.403 6.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.340 -9.705 7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.477 -8.479 7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.145 -9.637 5.937 1.00 0.00 H new ATOM 826 N ASN A 54 -8.854 -11.323 2.266 1.00 0.00 N ATOM 827 CA ASN A 54 -9.777 -12.420 2.596 1.00 0.00 C ATOM 828 C ASN A 54 -9.809 -13.549 1.541 1.00 0.00 C ATOM 829 O ASN A 54 -10.387 -14.608 1.791 1.00 0.00 O ATOM 830 CB ASN A 54 -11.187 -11.839 2.832 1.00 0.00 C ATOM 831 CG ASN A 54 -11.334 -11.000 4.098 1.00 0.00 C ATOM 832 OD1 ASN A 54 -10.472 -10.931 4.969 1.00 0.00 O ATOM 833 ND2 ASN A 54 -12.459 -10.341 4.256 1.00 0.00 N ATOM 0 H ASN A 54 -9.333 -10.464 1.995 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.407 -12.893 3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.459 -11.225 1.973 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.900 -12.662 2.874 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.608 -9.780 5.095 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.184 -10.390 3.540 1.00 0.00 H new ATOM 840 N ASP A 55 -9.192 -13.352 0.371 1.00 0.00 N ATOM 841 CA ASP A 55 -9.092 -14.340 -0.713 1.00 0.00 C ATOM 842 C ASP A 55 -8.338 -15.629 -0.307 1.00 0.00 C ATOM 843 O ASP A 55 -8.641 -16.710 -0.815 1.00 0.00 O ATOM 844 CB ASP A 55 -8.402 -13.667 -1.914 1.00 0.00 C ATOM 845 CG ASP A 55 -8.565 -14.421 -3.247 1.00 0.00 C ATOM 846 OD1 ASP A 55 -9.623 -15.057 -3.483 1.00 0.00 O ATOM 847 OD2 ASP A 55 -7.654 -14.320 -4.101 1.00 0.00 O ATOM 0 H ASP A 55 -8.732 -12.471 0.143 1.00 0.00 H new ATOM 0 HA ASP A 55 -10.102 -14.661 -0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.802 -12.660 -2.029 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.339 -13.565 -1.696 1.00 0.00 H new ATOM 852 N HIS A 56 -7.381 -15.522 0.631 1.00 0.00 N ATOM 853 CA HIS A 56 -6.543 -16.609 1.175 1.00 0.00 C ATOM 854 C HIS A 56 -5.945 -17.559 0.103 1.00 0.00 C ATOM 855 O HIS A 56 -5.846 -18.772 0.302 1.00 0.00 O ATOM 856 CB HIS A 56 -7.312 -17.355 2.288 1.00 0.00 C ATOM 857 CG HIS A 56 -7.813 -16.501 3.433 1.00 0.00 C ATOM 858 ND1 HIS A 56 -8.962 -16.735 4.157 1.00 0.00 N ATOM 859 CD2 HIS A 56 -7.197 -15.406 3.982 1.00 0.00 C ATOM 860 CE1 HIS A 56 -9.047 -15.799 5.118 1.00 0.00 C ATOM 861 NE2 HIS A 56 -7.990 -14.969 5.052 1.00 0.00 N ATOM 0 H HIS A 56 -7.157 -14.622 1.056 1.00 0.00 H new ATOM 0 HA HIS A 56 -5.661 -16.144 1.614 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -8.166 -17.860 1.837 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -6.662 -18.129 2.695 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.270 -14.961 3.651 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -9.848 -15.724 5.839 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.802 -14.174 5.663 1.00 0.00 H new ATOM 869 N ASP A 57 -5.569 -17.015 -1.061 1.00 0.00 N ATOM 870 CA ASP A 57 -5.088 -17.774 -2.227 1.00 0.00 C ATOM 871 C ASP A 57 -3.710 -18.435 -2.004 1.00 0.00 C ATOM 872 O ASP A 57 -3.505 -19.593 -2.378 1.00 0.00 O ATOM 873 CB ASP A 57 -5.052 -16.829 -3.436 1.00 0.00 C ATOM 874 CG ASP A 57 -4.624 -17.548 -4.725 1.00 0.00 C ATOM 875 OD1 ASP A 57 -5.423 -18.348 -5.270 1.00 0.00 O ATOM 876 OD2 ASP A 57 -3.493 -17.303 -5.209 1.00 0.00 O ATOM 0 H ASP A 57 -5.591 -16.008 -1.224 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.779 -18.599 -2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.038 -16.388 -3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.362 -16.009 -3.234 1.00 0.00 H new ATOM 881 N PHE A 58 -2.769 -17.711 -1.387 1.00 0.00 N ATOM 882 CA PHE A 58 -1.446 -18.222 -0.996 1.00 0.00 C ATOM 883 C PHE A 58 -1.505 -19.145 0.238 1.00 0.00 C ATOM 884 O PHE A 58 -2.439 -19.089 1.043 1.00 0.00 O ATOM 885 CB PHE A 58 -0.489 -17.036 -0.760 1.00 0.00 C ATOM 886 CG PHE A 58 0.398 -16.730 -1.954 1.00 0.00 C ATOM 887 CD1 PHE A 58 -0.148 -16.162 -3.122 1.00 0.00 C ATOM 888 CD2 PHE A 58 1.772 -17.042 -1.909 1.00 0.00 C ATOM 889 CE1 PHE A 58 0.673 -15.910 -4.237 1.00 0.00 C ATOM 890 CE2 PHE A 58 2.594 -16.786 -3.023 1.00 0.00 C ATOM 891 CZ PHE A 58 2.044 -16.222 -4.188 1.00 0.00 C ATOM 0 H PHE A 58 -2.907 -16.731 -1.139 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.069 -18.837 -1.813 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.074 -16.150 -0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.139 -17.252 0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.200 -15.919 -3.162 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.196 -17.479 -1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.250 -15.477 -5.131 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.647 -17.023 -2.983 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.673 -16.029 -5.044 1.00 0.00 H new ATOM 901 N LEU A 59 -0.464 -19.973 0.414 1.00 0.00 N ATOM 902 CA LEU A 59 -0.317 -20.927 1.523 1.00 0.00 C ATOM 903 C LEU A 59 -0.229 -20.236 2.900 1.00 0.00 C ATOM 904 O LEU A 59 -0.980 -20.563 3.819 1.00 0.00 O ATOM 905 CB LEU A 59 0.939 -21.794 1.291 1.00 0.00 C ATOM 906 CG LEU A 59 0.853 -22.803 0.129 1.00 0.00 C ATOM 907 CD1 LEU A 59 2.214 -23.482 -0.052 1.00 0.00 C ATOM 908 CD2 LEU A 59 -0.190 -23.897 0.375 1.00 0.00 C ATOM 0 H LEU A 59 0.324 -19.997 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.212 -21.549 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.786 -21.132 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.153 -22.342 2.208 1.00 0.00 H new ATOM 0 HG LEU A 59 0.560 -22.242 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.158 -24.197 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.969 -22.729 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.485 -24.004 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.208 -24.580 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.068 -24.449 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.173 -23.442 0.496 1.00 0.00 H new ATOM 920 N GLU A 60 0.722 -19.312 3.058 1.00 0.00 N ATOM 921 CA GLU A 60 1.080 -18.680 4.335 1.00 0.00 C ATOM 922 C GLU A 60 0.172 -17.489 4.700 1.00 0.00 C ATOM 923 O GLU A 60 0.448 -16.337 4.356 1.00 0.00 O ATOM 924 CB GLU A 60 2.587 -18.342 4.370 1.00 0.00 C ATOM 925 CG GLU A 60 3.144 -17.525 3.187 1.00 0.00 C ATOM 926 CD GLU A 60 4.685 -17.390 3.215 1.00 0.00 C ATOM 927 OE1 GLU A 60 5.326 -17.608 4.273 1.00 0.00 O ATOM 928 OE2 GLU A 60 5.275 -17.064 2.157 1.00 0.00 O ATOM 0 H GLU A 60 1.283 -18.971 2.277 1.00 0.00 H new ATOM 0 HA GLU A 60 0.895 -19.407 5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.790 -17.792 5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.144 -19.277 4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.844 -17.999 2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.698 -16.531 3.198 1.00 0.00 H new ATOM 935 N LYS A 61 -0.922 -17.751 5.433 1.00 0.00 N ATOM 936 CA LYS A 61 -1.880 -16.716 5.876 1.00 0.00 C ATOM 937 C LYS A 61 -1.260 -15.607 6.740 1.00 0.00 C ATOM 938 O LYS A 61 -1.787 -14.501 6.789 1.00 0.00 O ATOM 939 CB LYS A 61 -3.098 -17.366 6.564 1.00 0.00 C ATOM 940 CG LYS A 61 -2.846 -17.791 8.020 1.00 0.00 C ATOM 941 CD LYS A 61 -4.037 -18.580 8.587 1.00 0.00 C ATOM 942 CE LYS A 61 -3.977 -18.735 10.115 1.00 0.00 C ATOM 943 NZ LYS A 61 -2.776 -19.484 10.574 1.00 0.00 N ATOM 0 H LYS A 61 -1.171 -18.692 5.739 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.214 -16.206 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.932 -16.664 6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.402 -18.241 5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.945 -18.402 8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.668 -16.908 8.633 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.964 -18.076 8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.064 -19.568 8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.981 -17.747 10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.874 -19.251 10.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.788 -19.558 11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.782 -20.438 10.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.917 -18.981 10.273 1.00 0.00 H new ATOM 957 N ASP A 62 -0.128 -15.861 7.397 1.00 0.00 N ATOM 958 CA ASP A 62 0.559 -14.874 8.247 1.00 0.00 C ATOM 959 C ASP A 62 1.154 -13.681 7.462 1.00 0.00 C ATOM 960 O ASP A 62 1.420 -12.634 8.053 1.00 0.00 O ATOM 961 CB ASP A 62 1.628 -15.591 9.083 1.00 0.00 C ATOM 962 CG ASP A 62 2.167 -14.703 10.222 1.00 0.00 C ATOM 963 OD1 ASP A 62 1.377 -14.328 11.122 1.00 0.00 O ATOM 964 OD2 ASP A 62 3.388 -14.418 10.246 1.00 0.00 O ATOM 0 H ASP A 62 0.346 -16.763 7.357 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.188 -14.429 8.904 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.206 -16.503 9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.453 -15.890 8.436 1.00 0.00 H new ATOM 969 N LEU A 63 1.310 -13.792 6.135 1.00 0.00 N ATOM 970 CA LEU A 63 1.653 -12.676 5.233 1.00 0.00 C ATOM 971 C LEU A 63 0.474 -11.712 4.981 1.00 0.00 C ATOM 972 O LEU A 63 0.689 -10.568 4.577 1.00 0.00 O ATOM 973 CB LEU A 63 2.172 -13.253 3.893 1.00 0.00 C ATOM 974 CG LEU A 63 3.699 -13.401 3.757 1.00 0.00 C ATOM 975 CD1 LEU A 63 4.379 -12.042 3.588 1.00 0.00 C ATOM 976 CD2 LEU A 63 4.351 -14.129 4.934 1.00 0.00 C ATOM 0 H LEU A 63 1.199 -14.680 5.645 1.00 0.00 H new ATOM 0 HA LEU A 63 2.427 -12.085 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.719 -14.233 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.817 -12.613 3.085 1.00 0.00 H new ATOM 0 HG LEU A 63 3.843 -14.009 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.456 -12.183 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.998 -11.554 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.168 -11.419 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.426 -14.196 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.158 -13.578 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.933 -15.132 5.018 1.00 0.00 H new ATOM 988 N VAL A 64 -0.768 -12.146 5.220 1.00 0.00 N ATOM 989 CA VAL A 64 -1.996 -11.374 4.947 1.00 0.00 C ATOM 990 C VAL A 64 -2.209 -10.235 5.958 1.00 0.00 C ATOM 991 O VAL A 64 -2.686 -9.159 5.593 1.00 0.00 O ATOM 992 CB VAL A 64 -3.213 -12.320 4.896 1.00 0.00 C ATOM 993 CG1 VAL A 64 -4.516 -11.573 4.650 1.00 0.00 C ATOM 994 CG2 VAL A 64 -3.058 -13.353 3.765 1.00 0.00 C ATOM 0 H VAL A 64 -0.957 -13.066 5.618 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.881 -10.898 3.973 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.251 -12.809 5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.343 -12.283 4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.681 -10.855 5.453 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.459 -11.046 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.929 -14.009 3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.976 -12.836 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.160 -13.947 3.935 1.00 0.00 H new ATOM 1004 N GLU A 65 -1.800 -10.427 7.215 1.00 0.00 N ATOM 1005 CA GLU A 65 -1.759 -9.383 8.254 1.00 0.00 C ATOM 1006 C GLU A 65 -0.925 -8.153 7.822 1.00 0.00 C ATOM 1007 O GLU A 65 -1.500 -7.067 7.683 1.00 0.00 O ATOM 1008 CB GLU A 65 -1.268 -9.976 9.592 1.00 0.00 C ATOM 1009 CG GLU A 65 -2.390 -10.545 10.469 1.00 0.00 C ATOM 1010 CD GLU A 65 -3.314 -9.452 11.049 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -2.811 -8.441 11.600 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -4.557 -9.606 10.978 1.00 0.00 O ATOM 0 H GLU A 65 -1.479 -11.335 7.551 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.776 -9.018 8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.546 -10.766 9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.742 -9.202 10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.986 -11.242 9.880 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.951 -11.114 11.288 1.00 0.00 H new ATOM 1019 N PRO A 66 0.397 -8.276 7.573 1.00 0.00 N ATOM 1020 CA PRO A 66 1.226 -7.154 7.139 1.00 0.00 C ATOM 1021 C PRO A 66 0.881 -6.641 5.731 1.00 0.00 C ATOM 1022 O PRO A 66 1.025 -5.441 5.502 1.00 0.00 O ATOM 1023 CB PRO A 66 2.675 -7.622 7.266 1.00 0.00 C ATOM 1024 CG PRO A 66 2.573 -9.137 7.122 1.00 0.00 C ATOM 1025 CD PRO A 66 1.232 -9.451 7.769 1.00 0.00 C ATOM 0 HA PRO A 66 1.042 -6.283 7.768 1.00 0.00 H new ATOM 0 HB2 PRO A 66 3.307 -7.187 6.492 1.00 0.00 H new ATOM 0 HB3 PRO A 66 3.106 -7.338 8.226 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.600 -9.446 6.077 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.394 -9.647 7.626 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.778 -10.331 7.314 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.354 -9.668 8.830 1.00 0.00 H new ATOM 1033 N LEU A 67 0.354 -7.475 4.819 1.00 0.00 N ATOM 1034 CA LEU A 67 -0.224 -7.020 3.541 1.00 0.00 C ATOM 1035 C LEU A 67 -1.292 -5.940 3.779 1.00 0.00 C ATOM 1036 O LEU A 67 -1.154 -4.816 3.294 1.00 0.00 O ATOM 1037 CB LEU A 67 -0.787 -8.228 2.761 1.00 0.00 C ATOM 1038 CG LEU A 67 -1.535 -7.880 1.456 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -0.612 -7.267 0.407 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -2.176 -9.140 0.872 1.00 0.00 C ATOM 0 H LEU A 67 0.316 -8.486 4.947 1.00 0.00 H new ATOM 0 HA LEU A 67 0.559 -6.564 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.037 -8.900 2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.466 -8.777 3.414 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.297 -7.144 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.184 -7.039 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.173 -6.350 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.182 -7.973 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.702 -8.887 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.401 -9.876 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.882 -9.556 1.591 1.00 0.00 H new ATOM 1052 N CYS A 68 -2.335 -6.262 4.553 1.00 0.00 N ATOM 1053 CA CYS A 68 -3.388 -5.309 4.909 1.00 0.00 C ATOM 1054 C CYS A 68 -2.829 -4.080 5.649 1.00 0.00 C ATOM 1055 O CYS A 68 -3.166 -2.952 5.290 1.00 0.00 O ATOM 1056 CB CYS A 68 -4.462 -6.022 5.740 1.00 0.00 C ATOM 1057 SG CYS A 68 -5.866 -4.893 5.997 1.00 0.00 S ATOM 0 H CYS A 68 -2.471 -7.192 4.950 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.839 -4.934 3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.795 -6.925 5.228 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.049 -6.333 6.700 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.468 -3.665 5.846 1.00 0.00 H new ATOM 1063 N ARG A 69 -1.968 -4.277 6.661 1.00 0.00 N ATOM 1064 CA ARG A 69 -1.345 -3.188 7.437 1.00 0.00 C ATOM 1065 C ARG A 69 -0.580 -2.200 6.553 1.00 0.00 C ATOM 1066 O ARG A 69 -0.923 -1.019 6.546 1.00 0.00 O ATOM 1067 CB ARG A 69 -0.459 -3.741 8.576 1.00 0.00 C ATOM 1068 CG ARG A 69 -1.107 -3.626 9.963 1.00 0.00 C ATOM 1069 CD ARG A 69 -2.304 -4.567 10.158 1.00 0.00 C ATOM 1070 NE ARG A 69 -2.997 -4.279 11.432 1.00 0.00 N ATOM 1071 CZ ARG A 69 -3.992 -3.433 11.638 1.00 0.00 C ATOM 1072 NH1 ARG A 69 -4.550 -2.765 10.666 1.00 0.00 N ATOM 1073 NH2 ARG A 69 -4.453 -3.232 12.839 1.00 0.00 N ATOM 0 H ARG A 69 -1.681 -5.206 6.968 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.158 -2.625 7.895 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.233 -4.788 8.375 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.490 -3.205 8.581 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.358 -3.841 10.725 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.434 -2.598 10.119 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.000 -4.454 9.327 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.963 -5.602 10.150 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.669 -4.794 12.249 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.220 -2.887 9.708 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.316 -2.121 10.864 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.046 -3.729 13.631 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.221 -2.577 12.988 1.00 0.00 H new ATOM 1087 N ARG A 70 0.429 -2.650 5.793 1.00 0.00 N ATOM 1088 CA ARG A 70 1.258 -1.774 4.940 1.00 0.00 C ATOM 1089 C ARG A 70 0.446 -1.051 3.862 1.00 0.00 C ATOM 1090 O ARG A 70 0.682 0.138 3.636 1.00 0.00 O ATOM 1091 CB ARG A 70 2.428 -2.549 4.305 1.00 0.00 C ATOM 1092 CG ARG A 70 3.474 -3.132 5.276 1.00 0.00 C ATOM 1093 CD ARG A 70 3.862 -2.223 6.455 1.00 0.00 C ATOM 1094 NE ARG A 70 5.190 -2.576 6.997 1.00 0.00 N ATOM 1095 CZ ARG A 70 5.509 -3.588 7.785 1.00 0.00 C ATOM 1096 NH1 ARG A 70 4.629 -4.454 8.201 1.00 0.00 N ATOM 1097 NH2 ARG A 70 6.738 -3.751 8.181 1.00 0.00 N ATOM 0 H ARG A 70 0.697 -3.633 5.750 1.00 0.00 H new ATOM 0 HA ARG A 70 1.665 -1.009 5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.015 -3.368 3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.941 -1.884 3.610 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.090 -4.071 5.675 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.375 -3.370 4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.866 -1.183 6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.113 -2.307 7.242 1.00 0.00 H new ATOM 0 HE ARG A 70 5.958 -1.961 6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.653 -4.365 7.919 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.916 -5.221 8.809 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.461 -3.096 7.883 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.978 -4.534 8.789 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.533 -1.721 3.244 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.495 -1.075 2.344 1.00 0.00 C ATOM 1113 C LEU A 71 -2.268 0.046 3.069 1.00 0.00 C ATOM 1114 O LEU A 71 -2.225 1.196 2.636 1.00 0.00 O ATOM 1115 CB LEU A 71 -2.429 -2.120 1.698 1.00 0.00 C ATOM 1116 CG LEU A 71 -1.758 -3.011 0.630 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.709 -4.125 0.192 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.370 -2.221 -0.623 1.00 0.00 C ATOM 0 H LEU A 71 -0.681 -2.724 3.353 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.945 -0.598 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.835 -2.759 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.272 -1.601 1.242 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.859 -3.419 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.222 -4.744 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.971 -4.740 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.614 -3.686 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.902 -2.890 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.263 -1.778 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.669 -1.431 -0.353 1.00 0.00 H new ATOM 1130 N ASN A 72 -2.917 -0.251 4.201 1.00 0.00 N ATOM 1131 CA ASN A 72 -3.663 0.720 5.011 1.00 0.00 C ATOM 1132 C ASN A 72 -2.822 1.937 5.462 1.00 0.00 C ATOM 1133 O ASN A 72 -3.313 3.065 5.419 1.00 0.00 O ATOM 1134 CB ASN A 72 -4.284 -0.013 6.213 1.00 0.00 C ATOM 1135 CG ASN A 72 -5.107 0.923 7.081 1.00 0.00 C ATOM 1136 OD1 ASN A 72 -6.211 1.321 6.735 1.00 0.00 O ATOM 1137 ND2 ASN A 72 -4.599 1.319 8.228 1.00 0.00 N ATOM 0 H ASN A 72 -2.939 -1.194 4.588 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.446 1.144 4.382 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.915 -0.827 5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.493 -0.463 6.813 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.125 1.956 8.826 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.679 0.989 8.519 1.00 0.00 H new ATOM 1144 N THR A 73 -1.561 1.732 5.859 1.00 0.00 N ATOM 1145 CA THR A 73 -0.625 2.796 6.273 1.00 0.00 C ATOM 1146 C THR A 73 -0.484 3.889 5.209 1.00 0.00 C ATOM 1147 O THR A 73 -0.707 5.066 5.499 1.00 0.00 O ATOM 1148 CB THR A 73 0.751 2.206 6.627 1.00 0.00 C ATOM 1149 OG1 THR A 73 0.618 1.380 7.765 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.799 3.262 6.973 1.00 0.00 C ATOM 0 H THR A 73 -1.148 0.800 5.904 1.00 0.00 H new ATOM 0 HA THR A 73 -1.046 3.263 7.163 1.00 0.00 H new ATOM 0 HB THR A 73 1.085 1.665 5.742 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.163 0.549 7.515 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.743 2.773 7.212 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.940 3.927 6.121 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.462 3.840 7.833 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.137 3.518 3.973 1.00 0.00 N ATOM 1159 CA LEU A 74 -0.040 4.463 2.852 1.00 0.00 C ATOM 1160 C LEU A 74 -1.411 4.956 2.357 1.00 0.00 C ATOM 1161 O LEU A 74 -1.508 6.076 1.847 1.00 0.00 O ATOM 1162 CB LEU A 74 0.767 3.809 1.718 1.00 0.00 C ATOM 1163 CG LEU A 74 2.291 3.858 1.940 1.00 0.00 C ATOM 1164 CD1 LEU A 74 3.023 3.061 0.863 1.00 0.00 C ATOM 1165 CD2 LEU A 74 2.806 5.298 1.903 1.00 0.00 C ATOM 0 H LEU A 74 0.085 2.555 3.720 1.00 0.00 H new ATOM 0 HA LEU A 74 0.476 5.356 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.456 2.769 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.529 4.308 0.779 1.00 0.00 H new ATOM 0 HG LEU A 74 2.485 3.423 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.097 3.110 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.697 2.021 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.798 3.482 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.884 5.303 2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.581 5.740 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.321 5.878 2.688 1.00 0.00 H new ATOM 1177 N ASN A 75 -2.484 4.181 2.553 1.00 0.00 N ATOM 1178 CA ASN A 75 -3.846 4.565 2.168 1.00 0.00 C ATOM 1179 C ASN A 75 -4.326 5.870 2.844 1.00 0.00 C ATOM 1180 O ASN A 75 -5.041 6.659 2.222 1.00 0.00 O ATOM 1181 CB ASN A 75 -4.804 3.387 2.428 1.00 0.00 C ATOM 1182 CG ASN A 75 -6.079 3.447 1.608 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -6.247 4.261 0.713 1.00 0.00 O ATOM 1184 ND2 ASN A 75 -7.006 2.549 1.855 1.00 0.00 N ATOM 0 H ASN A 75 -2.430 3.260 2.988 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.842 4.789 1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.286 2.453 2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -5.064 3.368 3.486 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.862 2.534 1.300 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.870 1.867 2.601 1.00 0.00 H new ATOM 1191 N LYS A 76 -3.865 6.160 4.071 1.00 0.00 N ATOM 1192 CA LYS A 76 -4.112 7.429 4.791 1.00 0.00 C ATOM 1193 C LYS A 76 -3.750 8.661 3.947 1.00 0.00 C ATOM 1194 O LYS A 76 -4.512 9.627 3.913 1.00 0.00 O ATOM 1195 CB LYS A 76 -3.344 7.402 6.128 1.00 0.00 C ATOM 1196 CG LYS A 76 -3.456 8.650 7.028 1.00 0.00 C ATOM 1197 CD LYS A 76 -4.823 8.900 7.692 1.00 0.00 C ATOM 1198 CE LYS A 76 -5.847 9.571 6.765 1.00 0.00 C ATOM 1199 NZ LYS A 76 -7.066 9.992 7.507 1.00 0.00 N ATOM 0 H LYS A 76 -3.296 5.505 4.607 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.180 7.516 4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.690 6.541 6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.289 7.236 5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.705 8.572 7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.202 9.525 6.430 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.228 7.949 8.038 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.680 9.525 8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.393 10.440 6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.125 8.880 5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.735 10.441 6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.513 9.159 7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.803 10.670 8.250 1.00 0.00 H new ATOM 1213 N CYS A 77 -2.613 8.614 3.248 1.00 0.00 N ATOM 1214 CA CYS A 77 -2.181 9.652 2.308 1.00 0.00 C ATOM 1215 C CYS A 77 -2.796 9.480 0.904 1.00 0.00 C ATOM 1216 O CYS A 77 -3.152 10.475 0.276 1.00 0.00 O ATOM 1217 CB CYS A 77 -0.647 9.656 2.244 1.00 0.00 C ATOM 1218 SG CYS A 77 0.033 10.186 3.847 1.00 0.00 S ATOM 0 H CYS A 77 -1.954 7.839 3.321 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.541 10.614 2.673 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.281 8.660 1.994 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -0.308 10.327 1.455 1.00 0.00 H new ATOM 0 HG CYS A 77 1.332 10.186 3.789 1.00 0.00 H new ATOM 1224 N ALA A 78 -2.947 8.247 0.404 1.00 0.00 N ATOM 1225 CA ALA A 78 -3.452 7.978 -0.950 1.00 0.00 C ATOM 1226 C ALA A 78 -4.936 8.363 -1.166 1.00 0.00 C ATOM 1227 O ALA A 78 -5.300 8.790 -2.265 1.00 0.00 O ATOM 1228 CB ALA A 78 -3.209 6.503 -1.294 1.00 0.00 C ATOM 0 H ALA A 78 -2.721 7.403 0.930 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.896 8.624 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.582 6.297 -2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.141 6.291 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.732 5.871 -0.576 1.00 0.00 H new ATOM 1234 N SER A 79 -5.794 8.248 -0.143 1.00 0.00 N ATOM 1235 CA SER A 79 -7.204 8.684 -0.198 1.00 0.00 C ATOM 1236 C SER A 79 -7.368 10.206 -0.349 1.00 0.00 C ATOM 1237 O SER A 79 -8.317 10.669 -0.987 1.00 0.00 O ATOM 1238 CB SER A 79 -7.956 8.250 1.068 1.00 0.00 C ATOM 1239 OG SER A 79 -8.217 6.856 1.042 1.00 0.00 O ATOM 0 H SER A 79 -5.530 7.846 0.757 1.00 0.00 H new ATOM 0 HA SER A 79 -7.620 8.206 -1.085 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.366 8.498 1.951 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.894 8.799 1.146 1.00 0.00 H new ATOM 0 HG SER A 79 -8.695 6.597 1.857 1.00 0.00 H new ATOM 1245 N MET A 80 -6.458 10.994 0.232 1.00 0.00 N ATOM 1246 CA MET A 80 -6.407 12.456 0.124 1.00 0.00 C ATOM 1247 C MET A 80 -5.942 12.883 -1.283 1.00 0.00 C ATOM 1248 O MET A 80 -4.869 12.469 -1.736 1.00 0.00 O ATOM 1249 CB MET A 80 -5.483 12.989 1.234 1.00 0.00 C ATOM 1250 CG MET A 80 -5.425 14.518 1.297 1.00 0.00 C ATOM 1251 SD MET A 80 -4.412 15.141 2.669 1.00 0.00 S ATOM 1252 CE MET A 80 -4.433 16.913 2.287 1.00 0.00 C ATOM 0 H MET A 80 -5.708 10.617 0.812 1.00 0.00 H new ATOM 0 HA MET A 80 -7.400 12.884 0.259 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.825 12.606 2.196 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.477 12.601 1.076 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.025 14.899 0.357 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.438 14.910 1.395 1.00 0.00 H new ATOM 0 HE1 MET A 80 -3.853 17.453 3.035 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.997 17.078 1.302 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.461 17.275 2.294 1.00 0.00 H new ATOM 1262 N LYS A 81 -6.754 13.689 -1.988 1.00 0.00 N ATOM 1263 CA LYS A 81 -6.477 14.187 -3.352 1.00 0.00 C ATOM 1264 C LYS A 81 -5.179 15.012 -3.413 1.00 0.00 C ATOM 1265 O LYS A 81 -4.297 14.672 -4.233 1.00 0.00 O ATOM 1266 CB LYS A 81 -7.710 14.947 -3.896 1.00 0.00 C ATOM 1267 CG LYS A 81 -7.757 15.052 -5.434 1.00 0.00 C ATOM 1268 CD LYS A 81 -6.935 16.198 -6.057 1.00 0.00 C ATOM 1269 CE LYS A 81 -7.573 17.584 -5.881 1.00 0.00 C ATOM 1270 NZ LYS A 81 -8.691 17.810 -6.836 1.00 0.00 N ATOM 1271 OXT LYS A 81 -5.055 15.996 -2.647 1.00 0.00 O ATOM 0 H LYS A 81 -7.644 14.022 -1.618 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.303 13.334 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.614 14.447 -3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.720 15.952 -3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.406 14.109 -5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.797 15.169 -5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.942 16.206 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.803 16.001 -7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.942 17.686 -4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.814 18.353 -6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.093 18.757 -6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.335 17.739 -7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.428 17.092 -6.684 1.00 0.00 H new TER 1285 LYS A 81