USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 698 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 59 HIS : no HD1:sc= -0.0467 X(o=-0.057,f=-0.052) USER MOD Set 1.2: A 61 LYS NZ :NH3+ -172:sc= -0.0105 (180deg=-0.11) USER MOD Set 2.1: A 58 ASN : amide:sc= -0.772 X(o=1.9,f=2.3) USER MOD Set 2.2: A 60 HIS : no HD1:sc= 0.857 K(o=1.9,f=-5.3!) USER MOD Set 2.3: A 69 THR OG1 : rot 6:sc= 1.84 USER MOD Set 3.1: A 40 SER OG : rot -55:sc= 1.49 USER MOD Set 3.2: A 43 THR OG1 : rot -160:sc= 1.57 USER MOD Set 4.1: A 36 THR OG1 : rot 76:sc= 0.77 USER MOD Set 4.2: A 37 SER OG : rot -164:sc= 1.97 USER MOD Set 5.1: A 27 ASN : amide:sc= 0.711 K(o=1.3,f=-4.8!) USER MOD Set 5.2: A 31 LYS NZ :NH3+ -172:sc= 0.596 (180deg=0.0161) USER MOD Set 6.1: A 26 THR OG1 : rot -78:sc= 2.15 USER MOD Set 6.2: A 68 TYR OH : rot 34:sc= 2.36 USER MOD Set 7.1: A 1 MET N :NH3+ 178:sc= 1.25! (180deg=0.892!) USER MOD Set 7.2: A 6 GLN : amide:sc= -0.218 K(o=1,f=-15!) USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0343) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -69:sc= 1.21 USER MOD Single : A 15 MET CE :methyl 177:sc= -2.41 (180deg=-2.48!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -156:sc= -0.378 (180deg=-0.864) USER MOD Single : A 21 HIS : no HD1:sc= -0.269 K(o=-0.27,f=-3.9!) USER MOD Single : A 22 SER OG : rot 180:sc= 0.23 USER MOD Single : A 23 SER OG : rot 8:sc= 0.332 USER MOD Single : A 25 ASN : amide:sc= 0.61 K(o=0.61,f=-7.1!) USER MOD Single : A 34 SER OG : rot 76:sc= 1.22 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 54:sc= 0.324 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0.239 X(o=0.24,f=0) USER MOD Single : A 46 THR OG1 : rot 80:sc= 1.19 USER MOD Single : A 47 MET CE :methyl 159:sc= 0 (180deg=-0.238) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -125:sc= -0.1 (180deg=-0.171) USER MOD Single : A 71 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 75 SER OG : rot 88:sc= 1.12 USER MOD Single : A 77 TYR OH : rot 9:sc= 1.2 USER MOD Single : A 81 LYS NZ :NH3+ 175:sc= 0.595 (180deg=0.569) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0285 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.445 11.222 2.447 1.00 0.00 N ATOM 2 CA MET A 1 9.535 11.044 3.902 1.00 0.00 C ATOM 3 C MET A 1 9.102 12.327 4.611 1.00 0.00 C ATOM 4 O MET A 1 8.212 12.304 5.455 1.00 0.00 O ATOM 5 CB MET A 1 10.963 10.662 4.326 1.00 0.00 C ATOM 6 CG MET A 1 11.499 9.427 3.592 1.00 0.00 C ATOM 7 SD MET A 1 10.408 7.984 3.596 1.00 0.00 S ATOM 8 CE MET A 1 10.347 7.627 5.367 1.00 0.00 C ATOM 0 H1 MET A 1 9.773 10.358 1.971 1.00 0.00 H new ATOM 0 H2 MET A 1 8.458 11.411 2.181 1.00 0.00 H new ATOM 0 H3 MET A 1 10.041 12.024 2.158 1.00 0.00 H new ATOM 0 HA MET A 1 8.868 10.231 4.189 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.628 11.505 4.140 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.979 10.474 5.400 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.705 9.702 2.558 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.450 9.143 4.042 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.770 6.718 5.535 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.360 7.489 5.745 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.875 8.459 5.890 1.00 0.00 H new ATOM 20 N LYS A 2 9.732 13.447 4.249 1.00 0.00 N ATOM 21 CA LYS A 2 9.444 14.763 4.785 1.00 0.00 C ATOM 22 C LYS A 2 8.020 15.181 4.416 1.00 0.00 C ATOM 23 O LYS A 2 7.336 15.782 5.242 1.00 0.00 O ATOM 24 CB LYS A 2 10.477 15.754 4.227 1.00 0.00 C ATOM 25 CG LYS A 2 10.450 17.119 4.927 1.00 0.00 C ATOM 26 CD LYS A 2 11.225 18.177 4.127 1.00 0.00 C ATOM 27 CE LYS A 2 12.701 17.809 3.931 1.00 0.00 C ATOM 28 NZ LYS A 2 13.428 18.874 3.218 1.00 0.00 N ATOM 0 H LYS A 2 10.478 13.454 3.553 1.00 0.00 H new ATOM 0 HA LYS A 2 9.511 14.751 5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.473 15.323 4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.295 15.896 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.417 17.443 5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.881 17.027 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.755 18.306 3.152 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.159 19.136 4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.166 17.635 4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.774 16.877 3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.423 18.596 3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.997 19.022 2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.377 19.756 3.766 1.00 0.00 H new ATOM 42 N LYS A 3 7.587 14.904 3.177 1.00 0.00 N ATOM 43 CA LYS A 3 6.263 15.287 2.705 1.00 0.00 C ATOM 44 C LYS A 3 5.505 14.113 2.090 1.00 0.00 C ATOM 45 O LYS A 3 4.337 13.926 2.421 1.00 0.00 O ATOM 46 CB LYS A 3 6.369 16.433 1.690 1.00 0.00 C ATOM 47 CG LYS A 3 6.990 17.696 2.301 1.00 0.00 C ATOM 48 CD LYS A 3 7.106 18.788 1.230 1.00 0.00 C ATOM 49 CE LYS A 3 7.790 20.032 1.804 1.00 0.00 C ATOM 50 NZ LYS A 3 7.966 21.066 0.770 1.00 0.00 N ATOM 0 H LYS A 3 8.148 14.410 2.483 1.00 0.00 H new ATOM 0 HA LYS A 3 5.697 15.622 3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.971 16.109 0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.376 16.668 1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.376 18.050 3.129 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.975 17.468 2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.675 18.413 0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.115 19.049 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.195 20.432 2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.761 19.759 2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.432 21.898 1.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.554 20.690 -0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.037 21.342 0.393 1.00 0.00 H new ATOM 64 N ILE A 4 6.132 13.340 1.192 1.00 0.00 N ATOM 65 CA ILE A 4 5.422 12.283 0.463 1.00 0.00 C ATOM 66 C ILE A 4 6.209 10.969 0.427 1.00 0.00 C ATOM 67 O ILE A 4 7.365 10.955 0.847 1.00 0.00 O ATOM 68 CB ILE A 4 5.105 12.775 -0.964 1.00 0.00 C ATOM 69 CG1 ILE A 4 6.381 12.910 -1.810 1.00 0.00 C ATOM 70 CG2 ILE A 4 4.319 14.094 -0.941 1.00 0.00 C ATOM 71 CD1 ILE A 4 6.050 13.063 -3.290 1.00 0.00 C ATOM 0 H ILE A 4 7.120 13.426 0.955 1.00 0.00 H new ATOM 0 HA ILE A 4 4.493 12.070 0.993 1.00 0.00 H new ATOM 0 HB ILE A 4 4.475 12.020 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.954 13.773 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.011 12.032 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.112 14.412 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.379 13.948 -0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.907 14.859 -0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.973 13.156 -3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.498 12.187 -3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.441 13.955 -3.436 1.00 0.00 H new ATOM 83 N PRO A 5 5.624 9.863 -0.071 1.00 0.00 N ATOM 84 CA PRO A 5 6.322 8.594 -0.210 1.00 0.00 C ATOM 85 C PRO A 5 7.153 8.582 -1.505 1.00 0.00 C ATOM 86 O PRO A 5 6.586 8.624 -2.597 1.00 0.00 O ATOM 87 CB PRO A 5 5.218 7.521 -0.276 1.00 0.00 C ATOM 88 CG PRO A 5 3.913 8.239 0.063 1.00 0.00 C ATOM 89 CD PRO A 5 4.210 9.673 -0.362 1.00 0.00 C ATOM 0 HA PRO A 5 7.010 8.418 0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.170 7.071 -1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.415 6.715 0.431 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.066 7.821 -0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.675 8.171 1.125 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.001 9.823 -1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.594 10.384 0.188 1.00 0.00 H new ATOM 97 N GLN A 6 8.486 8.488 -1.421 1.00 0.00 N ATOM 98 CA GLN A 6 9.344 8.359 -2.602 1.00 0.00 C ATOM 99 C GLN A 6 9.249 6.909 -3.094 1.00 0.00 C ATOM 100 O GLN A 6 10.160 6.106 -2.912 1.00 0.00 O ATOM 101 CB GLN A 6 10.790 8.772 -2.286 1.00 0.00 C ATOM 102 CG GLN A 6 10.941 10.292 -2.135 1.00 0.00 C ATOM 103 CD GLN A 6 10.198 10.844 -0.923 1.00 0.00 C ATOM 104 OE1 GLN A 6 10.164 10.200 0.127 1.00 0.00 O ATOM 105 NE2 GLN A 6 9.596 12.022 -1.063 1.00 0.00 N ATOM 0 H GLN A 6 8.996 8.499 -0.538 1.00 0.00 H new ATOM 0 HA GLN A 6 9.008 9.031 -3.392 1.00 0.00 H new ATOM 0 HB2 GLN A 6 11.112 8.284 -1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 6 11.448 8.421 -3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 6 11.999 10.540 -2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.570 10.780 -3.036 1.00 0.00 H new ATOM 0 HE21 GLN A 6 9.651 12.520 -1.951 1.00 0.00 H new ATOM 0 HE22 GLN A 6 9.080 12.427 -0.282 1.00 0.00 H new ATOM 114 N ILE A 7 8.102 6.589 -3.687 1.00 0.00 N ATOM 115 CA ILE A 7 7.709 5.263 -4.138 1.00 0.00 C ATOM 116 C ILE A 7 8.165 4.950 -5.565 1.00 0.00 C ATOM 117 O ILE A 7 8.410 5.849 -6.368 1.00 0.00 O ATOM 118 CB ILE A 7 6.178 5.175 -3.940 1.00 0.00 C ATOM 119 CG1 ILE A 7 5.949 4.650 -2.517 1.00 0.00 C ATOM 120 CG2 ILE A 7 5.397 4.364 -4.984 1.00 0.00 C ATOM 121 CD1 ILE A 7 4.474 4.614 -2.140 1.00 0.00 C ATOM 0 H ILE A 7 7.384 7.289 -3.875 1.00 0.00 H new ATOM 0 HA ILE A 7 8.209 4.492 -3.552 1.00 0.00 H new ATOM 0 HB ILE A 7 5.770 6.175 -4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.367 3.647 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.486 5.281 -1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.336 4.377 -4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.544 4.803 -5.971 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.756 3.335 -4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.367 4.235 -1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.059 5.620 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.938 3.961 -2.829 1.00 0.00 H new ATOM 133 N SER A 8 8.252 3.652 -5.875 1.00 0.00 N ATOM 134 CA SER A 8 8.561 3.106 -7.190 1.00 0.00 C ATOM 135 C SER A 8 7.342 2.327 -7.704 1.00 0.00 C ATOM 136 O SER A 8 6.460 1.968 -6.924 1.00 0.00 O ATOM 137 CB SER A 8 9.791 2.199 -7.078 1.00 0.00 C ATOM 138 OG SER A 8 9.565 1.178 -6.125 1.00 0.00 O ATOM 0 H SER A 8 8.101 2.923 -5.178 1.00 0.00 H new ATOM 0 HA SER A 8 8.785 3.905 -7.897 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.014 1.756 -8.049 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.661 2.789 -6.789 1.00 0.00 H new ATOM 0 HG SER A 8 9.523 1.571 -5.228 1.00 0.00 H new ATOM 144 N ASP A 9 7.296 2.030 -9.008 1.00 0.00 N ATOM 145 CA ASP A 9 6.185 1.317 -9.640 1.00 0.00 C ATOM 146 C ASP A 9 5.755 0.068 -8.858 1.00 0.00 C ATOM 147 O ASP A 9 4.571 -0.130 -8.588 1.00 0.00 O ATOM 148 CB ASP A 9 6.556 0.952 -11.080 1.00 0.00 C ATOM 149 CG ASP A 9 5.428 0.173 -11.751 1.00 0.00 C ATOM 150 OD1 ASP A 9 4.433 0.828 -12.127 1.00 0.00 O ATOM 151 OD2 ASP A 9 5.582 -1.062 -11.863 1.00 0.00 O ATOM 0 H ASP A 9 8.039 2.282 -9.660 1.00 0.00 H new ATOM 0 HA ASP A 9 5.327 1.989 -9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.765 1.859 -11.647 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.468 0.356 -11.085 1.00 0.00 H new ATOM 156 N ALA A 10 6.726 -0.765 -8.475 1.00 0.00 N ATOM 157 CA ALA A 10 6.462 -1.992 -7.734 1.00 0.00 C ATOM 158 C ALA A 10 5.811 -1.720 -6.378 1.00 0.00 C ATOM 159 O ALA A 10 5.086 -2.562 -5.863 1.00 0.00 O ATOM 160 CB ALA A 10 7.759 -2.787 -7.570 1.00 0.00 C ATOM 0 H ALA A 10 7.714 -0.605 -8.671 1.00 0.00 H new ATOM 0 HA ALA A 10 5.749 -2.583 -8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.556 -3.703 -7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.158 -3.038 -8.553 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.487 -2.187 -7.025 1.00 0.00 H new ATOM 166 N GLU A 11 6.070 -0.560 -5.777 1.00 0.00 N ATOM 167 CA GLU A 11 5.432 -0.182 -4.527 1.00 0.00 C ATOM 168 C GLU A 11 4.066 0.453 -4.833 1.00 0.00 C ATOM 169 O GLU A 11 3.134 0.323 -4.048 1.00 0.00 O ATOM 170 CB GLU A 11 6.363 0.765 -3.767 1.00 0.00 C ATOM 171 CG GLU A 11 7.653 0.079 -3.308 1.00 0.00 C ATOM 172 CD GLU A 11 8.627 1.110 -2.748 1.00 0.00 C ATOM 173 OE1 GLU A 11 9.054 1.967 -3.555 1.00 0.00 O ATOM 174 OE2 GLU A 11 8.907 1.038 -1.532 1.00 0.00 O ATOM 0 H GLU A 11 6.722 0.135 -6.142 1.00 0.00 H new ATOM 0 HA GLU A 11 5.253 -1.051 -3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.614 1.612 -4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.839 1.164 -2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.426 -0.668 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.111 -0.448 -4.145 1.00 0.00 H new ATOM 181 N LEU A 12 3.936 1.134 -5.974 1.00 0.00 N ATOM 182 CA LEU A 12 2.720 1.819 -6.399 1.00 0.00 C ATOM 183 C LEU A 12 1.605 0.860 -6.826 1.00 0.00 C ATOM 184 O LEU A 12 0.449 1.129 -6.507 1.00 0.00 O ATOM 185 CB LEU A 12 3.084 2.758 -7.560 1.00 0.00 C ATOM 186 CG LEU A 12 1.936 3.632 -8.085 1.00 0.00 C ATOM 187 CD1 LEU A 12 1.555 4.710 -7.069 1.00 0.00 C ATOM 188 CD2 LEU A 12 2.381 4.289 -9.394 1.00 0.00 C ATOM 0 H LEU A 12 4.699 1.225 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 12 2.328 2.375 -5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.896 3.410 -7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.467 2.157 -8.385 1.00 0.00 H new ATOM 0 HG LEU A 12 1.060 3.005 -8.253 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.740 5.314 -7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.236 4.238 -6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.417 5.348 -6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.575 4.914 -9.780 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.262 4.905 -9.211 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.623 3.517 -10.125 1.00 0.00 H new ATOM 200 N GLU A 13 1.898 -0.237 -7.541 1.00 0.00 N ATOM 201 CA GLU A 13 0.852 -1.173 -7.992 1.00 0.00 C ATOM 202 C GLU A 13 -0.116 -1.556 -6.870 1.00 0.00 C ATOM 203 O GLU A 13 -1.329 -1.686 -7.030 1.00 0.00 O ATOM 204 CB GLU A 13 1.484 -2.436 -8.591 1.00 0.00 C ATOM 205 CG GLU A 13 2.382 -3.302 -7.733 1.00 0.00 C ATOM 206 CD GLU A 13 2.947 -4.455 -8.558 1.00 0.00 C ATOM 207 OE1 GLU A 13 3.956 -4.219 -9.256 1.00 0.00 O ATOM 208 OE2 GLU A 13 2.359 -5.554 -8.471 1.00 0.00 O ATOM 0 H GLU A 13 2.844 -0.498 -7.819 1.00 0.00 H new ATOM 0 HA GLU A 13 0.275 -0.655 -8.758 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.672 -3.067 -8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.062 -2.129 -9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.197 -2.703 -7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.820 -3.693 -6.885 1.00 0.00 H new ATOM 215 N VAL A 14 0.487 -1.731 -5.710 1.00 0.00 N ATOM 216 CA VAL A 14 -0.121 -2.097 -4.459 1.00 0.00 C ATOM 217 C VAL A 14 -1.121 -1.017 -4.053 1.00 0.00 C ATOM 218 O VAL A 14 -2.269 -1.296 -3.706 1.00 0.00 O ATOM 219 CB VAL A 14 1.058 -2.279 -3.496 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.601 -2.672 -2.095 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.058 -3.261 -4.140 1.00 0.00 C ATOM 0 H VAL A 14 1.496 -1.610 -5.618 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.706 -3.016 -4.485 1.00 0.00 H new ATOM 0 HB VAL A 14 1.572 -1.330 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.470 -2.790 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.048 -1.894 -1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.053 -3.613 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.907 -3.406 -3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.566 -4.218 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.408 -2.854 -5.088 1.00 0.00 H new ATOM 231 N MET A 15 -0.683 0.235 -4.145 1.00 0.00 N ATOM 232 CA MET A 15 -1.497 1.392 -3.843 1.00 0.00 C ATOM 233 C MET A 15 -2.657 1.471 -4.824 1.00 0.00 C ATOM 234 O MET A 15 -3.785 1.734 -4.425 1.00 0.00 O ATOM 235 CB MET A 15 -0.629 2.641 -3.874 1.00 0.00 C ATOM 236 CG MET A 15 0.598 2.432 -2.977 1.00 0.00 C ATOM 237 SD MET A 15 1.173 3.902 -2.100 1.00 0.00 S ATOM 238 CE MET A 15 1.489 4.985 -3.499 1.00 0.00 C ATOM 0 H MET A 15 0.265 0.471 -4.437 1.00 0.00 H new ATOM 0 HA MET A 15 -1.921 1.308 -2.843 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.314 2.853 -4.896 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.201 3.503 -3.531 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.364 1.660 -2.244 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.415 2.052 -3.590 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.803 5.964 -3.137 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.277 4.557 -4.119 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.579 5.091 -4.090 1.00 0.00 H new ATOM 248 N LYS A 16 -2.380 1.226 -6.105 1.00 0.00 N ATOM 249 CA LYS A 16 -3.408 1.175 -7.135 1.00 0.00 C ATOM 250 C LYS A 16 -4.517 0.201 -6.713 1.00 0.00 C ATOM 251 O LYS A 16 -5.688 0.571 -6.737 1.00 0.00 O ATOM 252 CB LYS A 16 -2.799 0.845 -8.504 1.00 0.00 C ATOM 253 CG LYS A 16 -3.782 1.167 -9.635 1.00 0.00 C ATOM 254 CD LYS A 16 -3.165 0.799 -10.990 1.00 0.00 C ATOM 255 CE LYS A 16 -4.140 1.124 -12.127 1.00 0.00 C ATOM 256 NZ LYS A 16 -3.566 0.777 -13.439 1.00 0.00 N ATOM 0 H LYS A 16 -1.436 1.058 -6.454 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.867 2.158 -7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.880 1.414 -8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.530 -0.211 -8.541 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.711 0.616 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.034 2.227 -9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.234 1.347 -11.133 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.917 -0.262 -11.008 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.071 0.577 -11.979 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.387 2.185 -12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.249 1.008 -14.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.691 1.318 -13.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.353 -0.241 -13.467 1.00 0.00 H new ATOM 270 N VAL A 17 -4.170 -1.027 -6.303 1.00 0.00 N ATOM 271 CA VAL A 17 -5.156 -1.980 -5.807 1.00 0.00 C ATOM 272 C VAL A 17 -5.915 -1.365 -4.622 1.00 0.00 C ATOM 273 O VAL A 17 -7.145 -1.323 -4.624 1.00 0.00 O ATOM 274 CB VAL A 17 -4.456 -3.307 -5.447 1.00 0.00 C ATOM 275 CG1 VAL A 17 -5.257 -4.126 -4.434 1.00 0.00 C ATOM 276 CG2 VAL A 17 -4.248 -4.167 -6.699 1.00 0.00 C ATOM 0 H VAL A 17 -3.212 -1.378 -6.308 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.893 -2.205 -6.578 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.497 -3.038 -5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.725 -5.051 -4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.382 -3.550 -3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.236 -4.362 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.753 -5.098 -6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.214 -4.390 -7.152 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.629 -3.625 -7.414 1.00 0.00 H new ATOM 286 N ILE A 18 -5.187 -0.872 -3.615 1.00 0.00 N ATOM 287 CA ILE A 18 -5.797 -0.281 -2.427 1.00 0.00 C ATOM 288 C ILE A 18 -6.811 0.815 -2.804 1.00 0.00 C ATOM 289 O ILE A 18 -7.891 0.862 -2.223 1.00 0.00 O ATOM 290 CB ILE A 18 -4.705 0.208 -1.456 1.00 0.00 C ATOM 291 CG1 ILE A 18 -3.880 -0.983 -0.920 1.00 0.00 C ATOM 292 CG2 ILE A 18 -5.334 0.978 -0.280 1.00 0.00 C ATOM 293 CD1 ILE A 18 -2.495 -0.559 -0.438 1.00 0.00 C ATOM 0 H ILE A 18 -4.167 -0.872 -3.603 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.370 -1.046 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.041 0.878 -2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.419 -1.455 -0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.775 -1.732 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.548 1.316 0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.881 1.841 -0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.019 0.323 0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.955 -1.432 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.943 -0.112 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.597 0.169 0.366 1.00 0.00 H new ATOM 305 N TRP A 19 -6.467 1.685 -3.760 1.00 0.00 N ATOM 306 CA TRP A 19 -7.324 2.763 -4.242 1.00 0.00 C ATOM 307 C TRP A 19 -8.455 2.246 -5.136 1.00 0.00 C ATOM 308 O TRP A 19 -9.493 2.895 -5.232 1.00 0.00 O ATOM 309 CB TRP A 19 -6.489 3.810 -4.997 1.00 0.00 C ATOM 310 CG TRP A 19 -5.573 4.673 -4.180 1.00 0.00 C ATOM 311 CD1 TRP A 19 -5.924 5.342 -3.056 1.00 0.00 C ATOM 312 CD2 TRP A 19 -4.196 5.075 -4.460 1.00 0.00 C ATOM 313 NE1 TRP A 19 -4.860 6.092 -2.596 1.00 0.00 N ATOM 314 CE2 TRP A 19 -3.778 5.966 -3.433 1.00 0.00 C ATOM 315 CE3 TRP A 19 -3.261 4.810 -5.486 1.00 0.00 C ATOM 316 CZ2 TRP A 19 -2.507 6.543 -3.413 1.00 0.00 C ATOM 317 CZ3 TRP A 19 -1.989 5.416 -5.491 1.00 0.00 C ATOM 318 CH2 TRP A 19 -1.620 6.306 -4.467 1.00 0.00 C ATOM 0 H TRP A 19 -5.562 1.654 -4.229 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.784 3.227 -3.369 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.888 3.289 -5.742 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -7.174 4.462 -5.539 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.896 5.296 -2.587 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -4.875 6.662 -1.750 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -3.527 4.130 -6.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.210 7.171 -2.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -1.293 5.195 -6.287 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.661 6.802 -4.495 1.00 0.00 H new ATOM 329 N LYS A 20 -8.251 1.130 -5.845 1.00 0.00 N ATOM 330 CA LYS A 20 -9.296 0.540 -6.671 1.00 0.00 C ATOM 331 C LYS A 20 -10.447 0.114 -5.760 1.00 0.00 C ATOM 332 O LYS A 20 -11.611 0.389 -6.049 1.00 0.00 O ATOM 333 CB LYS A 20 -8.730 -0.633 -7.488 1.00 0.00 C ATOM 334 CG LYS A 20 -9.740 -1.250 -8.467 1.00 0.00 C ATOM 335 CD LYS A 20 -10.352 -0.285 -9.498 1.00 0.00 C ATOM 336 CE LYS A 20 -9.325 0.370 -10.435 1.00 0.00 C ATOM 337 NZ LYS A 20 -8.701 1.571 -9.848 1.00 0.00 N ATOM 0 H LYS A 20 -7.367 0.620 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.675 1.266 -7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.860 -0.288 -8.047 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.383 -1.407 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.247 -2.060 -9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.550 -1.696 -7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.081 -0.828 -10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.895 0.498 -8.969 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.549 -0.355 -10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.814 0.641 -11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.352 2.188 -10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.404 2.085 -9.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.906 1.287 -9.240 1.00 0.00 H new ATOM 351 N HIS A 21 -10.114 -0.575 -4.668 1.00 0.00 N ATOM 352 CA HIS A 21 -11.084 -0.958 -3.651 1.00 0.00 C ATOM 353 C HIS A 21 -11.406 0.290 -2.805 1.00 0.00 C ATOM 354 O HIS A 21 -10.769 1.327 -2.967 1.00 0.00 O ATOM 355 CB HIS A 21 -10.507 -2.097 -2.797 1.00 0.00 C ATOM 356 CG HIS A 21 -10.201 -3.391 -3.517 1.00 0.00 C ATOM 357 ND1 HIS A 21 -9.569 -3.425 -4.760 1.00 0.00 N ATOM 358 CD2 HIS A 21 -10.371 -4.680 -3.081 1.00 0.00 C ATOM 359 CE1 HIS A 21 -9.363 -4.718 -5.012 1.00 0.00 C ATOM 360 NE2 HIS A 21 -9.800 -5.513 -4.023 1.00 0.00 N ATOM 0 H HIS A 21 -9.162 -0.882 -4.467 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.006 -1.325 -4.101 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.589 -1.741 -2.329 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -11.212 -2.312 -1.994 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.861 -4.987 -2.169 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -8.896 -5.085 -5.914 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -9.725 -6.529 -3.976 1.00 0.00 H new ATOM 368 N SER A 22 -12.397 0.236 -1.906 1.00 0.00 N ATOM 369 CA SER A 22 -12.713 1.381 -1.052 1.00 0.00 C ATOM 370 C SER A 22 -11.529 1.587 -0.106 1.00 0.00 C ATOM 371 O SER A 22 -10.936 2.660 -0.017 1.00 0.00 O ATOM 372 CB SER A 22 -13.994 1.041 -0.284 1.00 0.00 C ATOM 373 OG SER A 22 -13.947 -0.322 0.114 1.00 0.00 O ATOM 0 H SER A 22 -12.987 -0.582 -1.754 1.00 0.00 H new ATOM 0 HA SER A 22 -12.875 2.299 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 22 -14.091 1.685 0.590 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.868 1.220 -0.911 1.00 0.00 H new ATOM 0 HG SER A 22 -14.763 -0.547 0.608 1.00 0.00 H new ATOM 379 N SER A 23 -11.244 0.559 0.684 1.00 0.00 N ATOM 380 CA SER A 23 -9.940 0.367 1.288 1.00 0.00 C ATOM 381 C SER A 23 -9.625 -1.105 0.999 1.00 0.00 C ATOM 382 O SER A 23 -10.298 -1.684 0.149 1.00 0.00 O ATOM 383 CB SER A 23 -10.058 0.753 2.763 1.00 0.00 C ATOM 384 OG SER A 23 -10.270 2.152 2.823 1.00 0.00 O ATOM 0 H SER A 23 -11.919 -0.168 0.923 1.00 0.00 H new ATOM 0 HA SER A 23 -9.122 0.978 0.907 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.884 0.220 3.234 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.152 0.479 3.304 1.00 0.00 H new ATOM 0 HG SER A 23 -10.411 2.501 1.918 1.00 0.00 H new ATOM 390 N ILE A 24 -8.742 -1.783 1.738 1.00 0.00 N ATOM 391 CA ILE A 24 -8.579 -3.225 1.556 1.00 0.00 C ATOM 392 C ILE A 24 -8.090 -3.895 2.841 1.00 0.00 C ATOM 393 O ILE A 24 -7.378 -3.251 3.612 1.00 0.00 O ATOM 394 CB ILE A 24 -7.751 -3.515 0.293 1.00 0.00 C ATOM 395 CG1 ILE A 24 -7.900 -4.971 -0.174 1.00 0.00 C ATOM 396 CG2 ILE A 24 -6.291 -3.132 0.508 1.00 0.00 C ATOM 397 CD1 ILE A 24 -7.345 -5.171 -1.587 1.00 0.00 C ATOM 0 H ILE A 24 -8.143 -1.367 2.451 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.547 -3.691 1.370 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.145 -2.894 -0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.378 -5.631 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.952 -5.254 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.722 -3.345 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.224 -2.068 0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.882 -3.708 1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.468 -6.213 -1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.885 -4.530 -2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.286 -4.912 -1.602 1.00 0.00 H new ATOM 409 N ASN A 25 -8.442 -5.168 3.060 1.00 0.00 N ATOM 410 CA ASN A 25 -7.933 -5.976 4.170 1.00 0.00 C ATOM 411 C ASN A 25 -6.735 -6.793 3.696 1.00 0.00 C ATOM 412 O ASN A 25 -6.604 -7.093 2.510 1.00 0.00 O ATOM 413 CB ASN A 25 -8.966 -6.970 4.721 1.00 0.00 C ATOM 414 CG ASN A 25 -9.560 -7.844 3.628 1.00 0.00 C ATOM 415 OD1 ASN A 25 -8.976 -8.861 3.272 1.00 0.00 O ATOM 416 ND2 ASN A 25 -10.701 -7.451 3.073 1.00 0.00 N ATOM 0 H ASN A 25 -9.098 -5.671 2.462 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.671 -5.273 4.961 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.494 -7.602 5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.765 -6.422 5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.120 -8.002 2.324 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.158 -6.598 3.396 1.00 0.00 H new ATOM 423 N THR A 26 -5.901 -7.204 4.650 1.00 0.00 N ATOM 424 CA THR A 26 -4.724 -8.026 4.452 1.00 0.00 C ATOM 425 C THR A 26 -4.982 -9.233 3.547 1.00 0.00 C ATOM 426 O THR A 26 -4.218 -9.484 2.619 1.00 0.00 O ATOM 427 CB THR A 26 -4.223 -8.452 5.838 1.00 0.00 C ATOM 428 OG1 THR A 26 -4.514 -7.441 6.787 1.00 0.00 O ATOM 429 CG2 THR A 26 -2.720 -8.713 5.803 1.00 0.00 C ATOM 0 H THR A 26 -6.042 -6.956 5.629 1.00 0.00 H new ATOM 0 HA THR A 26 -3.963 -7.446 3.930 1.00 0.00 H new ATOM 0 HB THR A 26 -4.731 -9.372 6.126 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.867 -6.711 6.696 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.380 -9.014 6.794 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.505 -9.508 5.088 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.200 -7.804 5.502 1.00 0.00 H new ATOM 437 N ASN A 27 -6.055 -9.989 3.798 1.00 0.00 N ATOM 438 CA ASN A 27 -6.330 -11.174 2.999 1.00 0.00 C ATOM 439 C ASN A 27 -6.484 -10.821 1.520 1.00 0.00 C ATOM 440 O ASN A 27 -5.831 -11.432 0.679 1.00 0.00 O ATOM 441 CB ASN A 27 -7.555 -11.928 3.527 1.00 0.00 C ATOM 442 CG ASN A 27 -7.822 -13.179 2.693 1.00 0.00 C ATOM 443 OD1 ASN A 27 -8.792 -13.243 1.947 1.00 0.00 O ATOM 444 ND2 ASN A 27 -6.966 -14.190 2.810 1.00 0.00 N ATOM 0 H ASN A 27 -6.734 -9.802 4.536 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.472 -11.841 3.088 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.395 -12.207 4.568 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.428 -11.276 3.502 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.109 -15.044 2.271 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.166 -14.111 3.438 1.00 0.00 H new ATOM 451 N GLU A 28 -7.306 -9.819 1.201 1.00 0.00 N ATOM 452 CA GLU A 28 -7.574 -9.421 -0.167 1.00 0.00 C ATOM 453 C GLU A 28 -6.367 -8.731 -0.789 1.00 0.00 C ATOM 454 O GLU A 28 -6.100 -8.927 -1.971 1.00 0.00 O ATOM 455 CB GLU A 28 -8.825 -8.542 -0.197 1.00 0.00 C ATOM 456 CG GLU A 28 -10.069 -9.371 0.128 1.00 0.00 C ATOM 457 CD GLU A 28 -10.436 -10.322 -1.012 1.00 0.00 C ATOM 458 OE1 GLU A 28 -11.084 -9.835 -1.963 1.00 0.00 O ATOM 459 OE2 GLU A 28 -10.057 -11.510 -0.916 1.00 0.00 O ATOM 0 H GLU A 28 -7.804 -9.262 1.896 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.761 -10.307 -0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.724 -7.730 0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.932 -8.085 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.895 -9.945 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.907 -8.704 0.328 1.00 0.00 H new ATOM 466 N VAL A 29 -5.631 -7.927 -0.017 1.00 0.00 N ATOM 467 CA VAL A 29 -4.439 -7.278 -0.542 1.00 0.00 C ATOM 468 C VAL A 29 -3.447 -8.362 -0.968 1.00 0.00 C ATOM 469 O VAL A 29 -2.939 -8.332 -2.091 1.00 0.00 O ATOM 470 CB VAL A 29 -3.899 -6.232 0.458 1.00 0.00 C ATOM 471 CG1 VAL A 29 -2.733 -6.681 1.339 1.00 0.00 C ATOM 472 CG2 VAL A 29 -3.427 -4.978 -0.276 1.00 0.00 C ATOM 0 H VAL A 29 -5.840 -7.715 0.959 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.658 -6.694 -1.436 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.754 -6.054 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.440 -5.864 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.039 -7.539 1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.888 -6.960 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.050 -4.254 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.632 -5.242 -0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.261 -4.542 -0.825 1.00 0.00 H new ATOM 482 N ILE A 30 -3.222 -9.353 -0.096 1.00 0.00 N ATOM 483 CA ILE A 30 -2.354 -10.472 -0.417 1.00 0.00 C ATOM 484 C ILE A 30 -2.924 -11.196 -1.637 1.00 0.00 C ATOM 485 O ILE A 30 -2.181 -11.441 -2.583 1.00 0.00 O ATOM 486 CB ILE A 30 -2.122 -11.373 0.817 1.00 0.00 C ATOM 487 CG1 ILE A 30 -1.305 -10.595 1.867 1.00 0.00 C ATOM 488 CG2 ILE A 30 -1.340 -12.643 0.446 1.00 0.00 C ATOM 489 CD1 ILE A 30 -1.198 -11.289 3.226 1.00 0.00 C ATOM 0 H ILE A 30 -3.634 -9.394 0.836 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.357 -10.124 -0.686 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.097 -11.660 1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.301 -10.429 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.759 -9.614 2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.194 -13.254 1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.900 -13.212 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.370 -12.366 0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.607 -10.673 3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.196 -11.431 3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.715 -12.258 3.103 1.00 0.00 H new ATOM 501 N LYS A 31 -4.226 -11.501 -1.642 1.00 0.00 N ATOM 502 CA LYS A 31 -4.886 -12.177 -2.753 1.00 0.00 C ATOM 503 C LYS A 31 -4.566 -11.481 -4.082 1.00 0.00 C ATOM 504 O LYS A 31 -3.959 -12.080 -4.969 1.00 0.00 O ATOM 505 CB LYS A 31 -6.408 -12.213 -2.509 1.00 0.00 C ATOM 506 CG LYS A 31 -7.104 -13.398 -3.185 1.00 0.00 C ATOM 507 CD LYS A 31 -6.825 -14.738 -2.484 1.00 0.00 C ATOM 508 CE LYS A 31 -7.207 -14.761 -0.994 1.00 0.00 C ATOM 509 NZ LYS A 31 -8.564 -14.236 -0.751 1.00 0.00 N ATOM 0 H LYS A 31 -4.852 -11.282 -0.867 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.513 -13.199 -2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.596 -12.255 -1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.849 -11.285 -2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.179 -13.220 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.776 -13.462 -4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.373 -15.526 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.765 -14.971 -2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.144 -15.784 -0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.486 -14.171 -0.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.723 -14.146 0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.661 -13.303 -1.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.266 -14.889 -1.154 1.00 0.00 H new ATOM 523 N GLU A 32 -4.946 -10.205 -4.200 1.00 0.00 N ATOM 524 CA GLU A 32 -4.774 -9.416 -5.409 1.00 0.00 C ATOM 525 C GLU A 32 -3.316 -9.405 -5.851 1.00 0.00 C ATOM 526 O GLU A 32 -3.003 -9.840 -6.958 1.00 0.00 O ATOM 527 CB GLU A 32 -5.281 -7.977 -5.205 1.00 0.00 C ATOM 528 CG GLU A 32 -6.762 -7.785 -5.565 1.00 0.00 C ATOM 529 CD GLU A 32 -7.733 -8.578 -4.691 1.00 0.00 C ATOM 530 OE1 GLU A 32 -7.819 -9.808 -4.901 1.00 0.00 O ATOM 531 OE2 GLU A 32 -8.411 -7.930 -3.863 1.00 0.00 O ATOM 0 H GLU A 32 -5.389 -9.688 -3.440 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.368 -9.882 -6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.130 -7.693 -4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.679 -7.300 -5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.007 -6.726 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.911 -8.073 -6.606 1.00 0.00 H new ATOM 538 N LEU A 33 -2.414 -8.906 -5.004 1.00 0.00 N ATOM 539 CA LEU A 33 -1.045 -8.763 -5.388 1.00 0.00 C ATOM 540 C LEU A 33 -0.392 -10.114 -5.685 1.00 0.00 C ATOM 541 O LEU A 33 0.410 -10.193 -6.609 1.00 0.00 O ATOM 542 CB LEU A 33 -0.362 -7.927 -4.310 1.00 0.00 C ATOM 543 CG LEU A 33 -0.517 -6.396 -4.440 1.00 0.00 C ATOM 544 CD1 LEU A 33 -0.342 -5.883 -5.879 1.00 0.00 C ATOM 545 CD2 LEU A 33 -1.842 -5.895 -3.861 1.00 0.00 C ATOM 0 H LEU A 33 -2.625 -8.600 -4.054 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.944 -8.235 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.755 -8.231 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.701 -8.166 -4.312 1.00 0.00 H new ATOM 0 HG LEU A 33 0.299 -5.982 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.464 -4.800 -5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.654 -6.142 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.092 -6.343 -6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.903 -4.813 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.671 -6.364 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.897 -6.151 -2.803 1.00 0.00 H new ATOM 557 N SER A 34 -0.742 -11.183 -4.962 1.00 0.00 N ATOM 558 CA SER A 34 -0.206 -12.507 -5.264 1.00 0.00 C ATOM 559 C SER A 34 -0.729 -13.000 -6.618 1.00 0.00 C ATOM 560 O SER A 34 -0.005 -13.663 -7.357 1.00 0.00 O ATOM 561 CB SER A 34 -0.541 -13.508 -4.154 1.00 0.00 C ATOM 562 OG SER A 34 -0.049 -13.045 -2.912 1.00 0.00 O ATOM 0 H SER A 34 -1.387 -11.155 -4.173 1.00 0.00 H new ATOM 0 HA SER A 34 0.880 -12.427 -5.320 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.620 -13.649 -4.096 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.105 -14.479 -4.387 1.00 0.00 H new ATOM 0 HG SER A 34 -0.625 -12.325 -2.580 1.00 0.00 H new ATOM 568 N LYS A 35 -1.997 -12.715 -6.942 1.00 0.00 N ATOM 569 CA LYS A 35 -2.569 -13.101 -8.226 1.00 0.00 C ATOM 570 C LYS A 35 -1.856 -12.375 -9.368 1.00 0.00 C ATOM 571 O LYS A 35 -1.475 -13.000 -10.354 1.00 0.00 O ATOM 572 CB LYS A 35 -4.073 -12.790 -8.264 1.00 0.00 C ATOM 573 CG LYS A 35 -4.888 -13.808 -7.458 1.00 0.00 C ATOM 574 CD LYS A 35 -6.299 -13.289 -7.144 1.00 0.00 C ATOM 575 CE LYS A 35 -7.098 -12.940 -8.404 1.00 0.00 C ATOM 576 NZ LYS A 35 -8.465 -12.509 -8.061 1.00 0.00 N ATOM 0 H LYS A 35 -2.642 -12.218 -6.328 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.432 -14.175 -8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.247 -11.790 -7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.417 -12.787 -9.298 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.960 -14.741 -8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.368 -14.034 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.840 -14.044 -6.574 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.223 -12.405 -6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.590 -12.147 -8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.141 -13.807 -9.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.985 -12.278 -8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.955 -13.276 -7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.421 -11.668 -7.451 1.00 0.00 H new ATOM 590 N THR A 36 -1.698 -11.054 -9.258 1.00 0.00 N ATOM 591 CA THR A 36 -1.091 -10.272 -10.325 1.00 0.00 C ATOM 592 C THR A 36 0.413 -10.507 -10.436 1.00 0.00 C ATOM 593 O THR A 36 0.951 -10.597 -11.539 1.00 0.00 O ATOM 594 CB THR A 36 -1.359 -8.776 -10.098 1.00 0.00 C ATOM 595 OG1 THR A 36 -0.827 -8.344 -8.859 1.00 0.00 O ATOM 596 CG2 THR A 36 -2.863 -8.481 -10.132 1.00 0.00 C ATOM 0 H THR A 36 -1.982 -10.510 -8.443 1.00 0.00 H new ATOM 0 HA THR A 36 -1.547 -10.599 -11.260 1.00 0.00 H new ATOM 0 HB THR A 36 -0.866 -8.232 -10.904 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.145 -8.248 -8.936 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.029 -7.416 -9.969 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.268 -8.767 -11.103 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.363 -9.050 -9.348 1.00 0.00 H new ATOM 604 N SER A 37 1.084 -10.564 -9.286 1.00 0.00 N ATOM 605 CA SER A 37 2.529 -10.537 -9.180 1.00 0.00 C ATOM 606 C SER A 37 3.031 -11.749 -8.398 1.00 0.00 C ATOM 607 O SER A 37 2.537 -12.038 -7.311 1.00 0.00 O ATOM 608 CB SER A 37 2.882 -9.215 -8.484 1.00 0.00 C ATOM 609 OG SER A 37 2.051 -8.177 -8.993 1.00 0.00 O ATOM 0 H SER A 37 0.618 -10.632 -8.381 1.00 0.00 H new ATOM 0 HA SER A 37 3.009 -10.591 -10.157 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.745 -9.310 -7.407 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.931 -8.972 -8.652 1.00 0.00 H new ATOM 0 HG SER A 37 2.430 -7.306 -8.751 1.00 0.00 H new ATOM 615 N THR A 38 4.031 -12.456 -8.930 1.00 0.00 N ATOM 616 CA THR A 38 4.604 -13.641 -8.311 1.00 0.00 C ATOM 617 C THR A 38 5.439 -13.243 -7.089 1.00 0.00 C ATOM 618 O THR A 38 6.668 -13.270 -7.142 1.00 0.00 O ATOM 619 CB THR A 38 5.451 -14.362 -9.368 1.00 0.00 C ATOM 620 OG1 THR A 38 6.357 -13.432 -9.923 1.00 0.00 O ATOM 621 CG2 THR A 38 4.579 -14.932 -10.491 1.00 0.00 C ATOM 0 H THR A 38 4.469 -12.212 -9.818 1.00 0.00 H new ATOM 0 HA THR A 38 3.822 -14.313 -7.958 1.00 0.00 H new ATOM 0 HB THR A 38 5.976 -15.189 -8.890 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.868 -13.005 -9.204 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.211 -15.436 -11.222 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.868 -15.645 -10.073 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.037 -14.121 -10.978 1.00 0.00 H new ATOM 629 N TRP A 39 4.760 -12.844 -6.015 1.00 0.00 N ATOM 630 CA TRP A 39 5.312 -12.415 -4.742 1.00 0.00 C ATOM 631 C TRP A 39 4.761 -13.327 -3.640 1.00 0.00 C ATOM 632 O TRP A 39 3.767 -14.017 -3.861 1.00 0.00 O ATOM 633 CB TRP A 39 4.879 -10.966 -4.504 1.00 0.00 C ATOM 634 CG TRP A 39 5.355 -9.910 -5.457 1.00 0.00 C ATOM 635 CD1 TRP A 39 6.413 -9.981 -6.296 1.00 0.00 C ATOM 636 CD2 TRP A 39 4.835 -8.558 -5.595 1.00 0.00 C ATOM 637 NE1 TRP A 39 6.580 -8.774 -6.947 1.00 0.00 N ATOM 638 CE2 TRP A 39 5.648 -7.847 -6.525 1.00 0.00 C ATOM 639 CE3 TRP A 39 3.758 -7.857 -5.015 1.00 0.00 C ATOM 640 CZ2 TRP A 39 5.424 -6.497 -6.829 1.00 0.00 C ATOM 641 CZ3 TRP A 39 3.551 -6.495 -5.277 1.00 0.00 C ATOM 642 CH2 TRP A 39 4.406 -5.810 -6.151 1.00 0.00 C ATOM 0 H TRP A 39 3.741 -12.812 -6.017 1.00 0.00 H new ATOM 0 HA TRP A 39 6.400 -12.475 -4.740 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.789 -10.942 -4.501 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.207 -10.682 -3.504 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.035 -10.852 -6.436 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.298 -8.592 -7.648 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.080 -8.379 -4.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.025 -5.994 -7.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.732 -5.973 -4.805 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.281 -4.748 -6.303 1.00 0.00 H new ATOM 653 N SER A 40 5.394 -13.344 -2.461 1.00 0.00 N ATOM 654 CA SER A 40 4.948 -14.175 -1.343 1.00 0.00 C ATOM 655 C SER A 40 4.194 -13.320 -0.319 1.00 0.00 C ATOM 656 O SER A 40 4.376 -12.103 -0.303 1.00 0.00 O ATOM 657 CB SER A 40 6.172 -14.821 -0.681 1.00 0.00 C ATOM 658 OG SER A 40 6.929 -13.847 0.012 1.00 0.00 O ATOM 0 H SER A 40 6.223 -12.786 -2.259 1.00 0.00 H new ATOM 0 HA SER A 40 4.276 -14.950 -1.712 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.851 -15.600 0.010 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.792 -15.302 -1.438 1.00 0.00 H new ATOM 0 HG SER A 40 7.161 -13.117 -0.599 1.00 0.00 H new ATOM 664 N PRO A 41 3.390 -13.915 0.578 1.00 0.00 N ATOM 665 CA PRO A 41 2.760 -13.180 1.666 1.00 0.00 C ATOM 666 C PRO A 41 3.787 -12.361 2.456 1.00 0.00 C ATOM 667 O PRO A 41 3.481 -11.268 2.930 1.00 0.00 O ATOM 668 CB PRO A 41 2.089 -14.248 2.531 1.00 0.00 C ATOM 669 CG PRO A 41 1.717 -15.302 1.501 1.00 0.00 C ATOM 670 CD PRO A 41 2.933 -15.297 0.574 1.00 0.00 C ATOM 0 HA PRO A 41 2.036 -12.451 1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.764 -14.641 3.291 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.214 -13.860 3.052 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.558 -16.279 1.958 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.800 -15.046 0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.709 -15.972 0.934 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.667 -15.624 -0.431 1.00 0.00 H new ATOM 678 N LYS A 42 5.007 -12.887 2.622 1.00 0.00 N ATOM 679 CA LYS A 42 6.083 -12.165 3.284 1.00 0.00 C ATOM 680 C LYS A 42 6.397 -10.904 2.475 1.00 0.00 C ATOM 681 O LYS A 42 6.479 -9.815 3.041 1.00 0.00 O ATOM 682 CB LYS A 42 7.308 -13.075 3.439 1.00 0.00 C ATOM 683 CG LYS A 42 8.412 -12.396 4.262 1.00 0.00 C ATOM 684 CD LYS A 42 9.581 -13.344 4.562 1.00 0.00 C ATOM 685 CE LYS A 42 10.328 -13.769 3.291 1.00 0.00 C ATOM 686 NZ LYS A 42 11.529 -14.558 3.615 1.00 0.00 N ATOM 0 H LYS A 42 5.268 -13.819 2.301 1.00 0.00 H new ATOM 0 HA LYS A 42 5.783 -11.863 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.012 -14.006 3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.695 -13.337 2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.783 -11.526 3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.992 -12.033 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.277 -12.854 5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.205 -14.230 5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.665 -14.356 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.614 -12.885 2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.013 -14.831 2.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.171 -13.988 4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.252 -15.414 4.137 1.00 0.00 H new ATOM 700 N THR A 43 6.562 -11.045 1.154 1.00 0.00 N ATOM 701 CA THR A 43 6.794 -9.920 0.258 1.00 0.00 C ATOM 702 C THR A 43 5.703 -8.865 0.469 1.00 0.00 C ATOM 703 O THR A 43 6.009 -7.697 0.705 1.00 0.00 O ATOM 704 CB THR A 43 6.792 -10.402 -1.203 1.00 0.00 C ATOM 705 OG1 THR A 43 7.541 -11.593 -1.361 1.00 0.00 O ATOM 706 CG2 THR A 43 7.321 -9.343 -2.173 1.00 0.00 C ATOM 0 H THR A 43 6.537 -11.948 0.681 1.00 0.00 H new ATOM 0 HA THR A 43 7.766 -9.478 0.477 1.00 0.00 H new ATOM 0 HB THR A 43 5.748 -10.598 -1.446 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.789 -11.701 -2.303 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.297 -9.736 -3.189 1.00 0.00 H new ATOM 0 HG22 THR A 43 6.697 -8.451 -2.114 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.346 -9.086 -1.907 1.00 0.00 H new ATOM 714 N ILE A 44 4.433 -9.284 0.407 1.00 0.00 N ATOM 715 CA ILE A 44 3.307 -8.371 0.571 1.00 0.00 C ATOM 716 C ILE A 44 3.405 -7.631 1.900 1.00 0.00 C ATOM 717 O ILE A 44 3.325 -6.406 1.940 1.00 0.00 O ATOM 718 CB ILE A 44 1.956 -9.099 0.471 1.00 0.00 C ATOM 719 CG1 ILE A 44 1.792 -9.934 -0.809 1.00 0.00 C ATOM 720 CG2 ILE A 44 0.827 -8.060 0.591 1.00 0.00 C ATOM 721 CD1 ILE A 44 2.134 -9.178 -2.089 1.00 0.00 C ATOM 0 H ILE A 44 4.164 -10.254 0.244 1.00 0.00 H new ATOM 0 HA ILE A 44 3.357 -7.650 -0.245 1.00 0.00 H new ATOM 0 HB ILE A 44 1.911 -9.817 1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.428 -10.817 -0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.763 -10.287 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.138 -8.562 0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.903 -7.550 1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.916 -7.332 -0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.993 -9.834 -2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.481 -8.310 -2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.172 -8.848 -2.050 1.00 0.00 H new ATOM 733 N GLN A 45 3.563 -8.372 2.994 1.00 0.00 N ATOM 734 CA GLN A 45 3.632 -7.782 4.319 1.00 0.00 C ATOM 735 C GLN A 45 4.819 -6.821 4.432 1.00 0.00 C ATOM 736 O GLN A 45 4.693 -5.752 5.030 1.00 0.00 O ATOM 737 CB GLN A 45 3.596 -8.900 5.359 1.00 0.00 C ATOM 738 CG GLN A 45 2.208 -9.570 5.320 1.00 0.00 C ATOM 739 CD GLN A 45 2.189 -10.841 6.155 1.00 0.00 C ATOM 740 OE1 GLN A 45 1.624 -10.881 7.242 1.00 0.00 O ATOM 741 NE2 GLN A 45 2.812 -11.892 5.635 1.00 0.00 N ATOM 0 H GLN A 45 3.646 -9.389 2.983 1.00 0.00 H new ATOM 0 HA GLN A 45 2.764 -7.152 4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.375 -9.634 5.152 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.793 -8.498 6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.455 -8.875 5.692 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.943 -9.805 4.289 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.270 -11.816 4.727 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.833 -12.776 6.144 1.00 0.00 H new ATOM 750 N THR A 46 5.955 -7.164 3.819 1.00 0.00 N ATOM 751 CA THR A 46 7.106 -6.272 3.784 1.00 0.00 C ATOM 752 C THR A 46 6.711 -4.980 3.059 1.00 0.00 C ATOM 753 O THR A 46 6.936 -3.887 3.574 1.00 0.00 O ATOM 754 CB THR A 46 8.309 -6.964 3.123 1.00 0.00 C ATOM 755 OG1 THR A 46 8.577 -8.189 3.775 1.00 0.00 O ATOM 756 CG2 THR A 46 9.570 -6.100 3.215 1.00 0.00 C ATOM 0 H THR A 46 6.098 -8.054 3.342 1.00 0.00 H new ATOM 0 HA THR A 46 7.412 -6.018 4.799 1.00 0.00 H new ATOM 0 HB THR A 46 8.055 -7.127 2.075 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.953 -8.873 3.455 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.402 -6.618 2.738 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.397 -5.150 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.809 -5.916 4.262 1.00 0.00 H new ATOM 764 N MET A 47 6.106 -5.090 1.871 1.00 0.00 N ATOM 765 CA MET A 47 5.670 -3.928 1.107 1.00 0.00 C ATOM 766 C MET A 47 4.712 -3.069 1.936 1.00 0.00 C ATOM 767 O MET A 47 4.921 -1.863 2.050 1.00 0.00 O ATOM 768 CB MET A 47 5.062 -4.366 -0.230 1.00 0.00 C ATOM 769 CG MET A 47 6.163 -4.874 -1.168 1.00 0.00 C ATOM 770 SD MET A 47 5.571 -5.620 -2.703 1.00 0.00 S ATOM 771 CE MET A 47 7.146 -5.756 -3.577 1.00 0.00 C ATOM 0 H MET A 47 5.908 -5.983 1.419 1.00 0.00 H new ATOM 0 HA MET A 47 6.534 -3.305 0.876 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.325 -5.151 -0.063 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.538 -3.529 -0.692 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.821 -4.041 -1.416 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.765 -5.608 -0.633 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.063 -6.508 -4.361 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.399 -4.794 -4.022 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.927 -6.048 -2.875 1.00 0.00 H new ATOM 781 N LEU A 48 3.684 -3.679 2.536 1.00 0.00 N ATOM 782 CA LEU A 48 2.747 -2.978 3.408 1.00 0.00 C ATOM 783 C LEU A 48 3.526 -2.188 4.460 1.00 0.00 C ATOM 784 O LEU A 48 3.346 -0.977 4.583 1.00 0.00 O ATOM 785 CB LEU A 48 1.803 -3.968 4.109 1.00 0.00 C ATOM 786 CG LEU A 48 0.700 -4.561 3.221 1.00 0.00 C ATOM 787 CD1 LEU A 48 0.032 -5.709 3.988 1.00 0.00 C ATOM 788 CD2 LEU A 48 -0.358 -3.505 2.890 1.00 0.00 C ATOM 0 H LEU A 48 3.482 -4.673 2.428 1.00 0.00 H new ATOM 0 HA LEU A 48 2.148 -2.301 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.398 -4.786 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.335 -3.463 4.954 1.00 0.00 H new ATOM 0 HG LEU A 48 1.141 -4.915 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.756 -6.146 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.775 -6.472 4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.398 -5.326 4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.129 -3.948 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.809 -3.140 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.110 -2.675 2.361 1.00 0.00 H new ATOM 800 N LEU A 49 4.397 -2.876 5.205 1.00 0.00 N ATOM 801 CA LEU A 49 5.211 -2.258 6.242 1.00 0.00 C ATOM 802 C LEU A 49 5.964 -1.054 5.673 1.00 0.00 C ATOM 803 O LEU A 49 5.904 0.033 6.242 1.00 0.00 O ATOM 804 CB LEU A 49 6.139 -3.317 6.862 1.00 0.00 C ATOM 805 CG LEU A 49 7.030 -2.869 8.035 1.00 0.00 C ATOM 806 CD1 LEU A 49 8.274 -2.080 7.602 1.00 0.00 C ATOM 807 CD2 LEU A 49 6.247 -2.100 9.104 1.00 0.00 C ATOM 0 H LEU A 49 4.553 -3.879 5.101 1.00 0.00 H new ATOM 0 HA LEU A 49 4.580 -1.875 7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.523 -4.148 7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.786 -3.703 6.074 1.00 0.00 H new ATOM 0 HG LEU A 49 7.388 -3.798 8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.851 -1.799 8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.888 -2.699 6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.967 -1.181 7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.921 -1.807 9.909 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.804 -1.209 8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.458 -2.736 9.505 1.00 0.00 H new ATOM 819 N ARG A 50 6.657 -1.225 4.544 1.00 0.00 N ATOM 820 CA ARG A 50 7.407 -0.148 3.921 1.00 0.00 C ATOM 821 C ARG A 50 6.508 1.035 3.551 1.00 0.00 C ATOM 822 O ARG A 50 6.860 2.178 3.834 1.00 0.00 O ATOM 823 CB ARG A 50 8.177 -0.677 2.705 1.00 0.00 C ATOM 824 CG ARG A 50 9.301 -1.656 3.073 1.00 0.00 C ATOM 825 CD ARG A 50 10.450 -0.987 3.840 1.00 0.00 C ATOM 826 NE ARG A 50 11.577 -1.910 4.031 1.00 0.00 N ATOM 827 CZ ARG A 50 12.508 -2.200 3.110 1.00 0.00 C ATOM 828 NH1 ARG A 50 12.448 -1.659 1.889 1.00 0.00 N ATOM 829 NH2 ARG A 50 13.500 -3.039 3.421 1.00 0.00 N ATOM 0 H ARG A 50 6.710 -2.112 4.043 1.00 0.00 H new ATOM 0 HA ARG A 50 8.128 0.228 4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.479 -1.173 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.603 0.165 2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.889 -2.463 3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.694 -2.109 2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.788 -0.105 3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.091 -0.644 4.810 1.00 0.00 H new ATOM 0 HE ARG A 50 11.658 -2.368 4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.690 -1.020 1.651 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.161 -1.886 1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.545 -3.453 4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.213 -3.266 2.727 1.00 0.00 H new ATOM 843 N LEU A 51 5.364 0.810 2.902 1.00 0.00 N ATOM 844 CA LEU A 51 4.460 1.869 2.542 1.00 0.00 C ATOM 845 C LEU A 51 4.003 2.606 3.806 1.00 0.00 C ATOM 846 O LEU A 51 4.048 3.834 3.854 1.00 0.00 O ATOM 847 CB LEU A 51 3.308 1.215 1.785 1.00 0.00 C ATOM 848 CG LEU A 51 3.684 0.628 0.414 1.00 0.00 C ATOM 849 CD1 LEU A 51 2.523 -0.218 -0.118 1.00 0.00 C ATOM 850 CD2 LEU A 51 3.978 1.752 -0.582 1.00 0.00 C ATOM 0 H LEU A 51 5.051 -0.118 2.617 1.00 0.00 H new ATOM 0 HA LEU A 51 4.927 2.621 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.892 0.419 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.519 1.954 1.644 1.00 0.00 H new ATOM 0 HG LEU A 51 4.573 0.009 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.791 -0.633 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.315 -1.030 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.636 0.406 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.243 1.322 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.094 2.379 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.807 2.356 -0.214 1.00 0.00 H new ATOM 862 N ILE A 52 3.587 1.866 4.839 1.00 0.00 N ATOM 863 CA ILE A 52 3.185 2.452 6.114 1.00 0.00 C ATOM 864 C ILE A 52 4.333 3.321 6.651 1.00 0.00 C ATOM 865 O ILE A 52 4.122 4.481 6.998 1.00 0.00 O ATOM 866 CB ILE A 52 2.750 1.344 7.096 1.00 0.00 C ATOM 867 CG1 ILE A 52 1.448 0.676 6.610 1.00 0.00 C ATOM 868 CG2 ILE A 52 2.539 1.908 8.510 1.00 0.00 C ATOM 869 CD1 ILE A 52 1.240 -0.720 7.208 1.00 0.00 C ATOM 0 H ILE A 52 3.521 0.849 4.812 1.00 0.00 H new ATOM 0 HA ILE A 52 2.319 3.100 5.983 1.00 0.00 H new ATOM 0 HB ILE A 52 3.547 0.601 7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.600 1.309 6.872 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.467 0.602 5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.233 1.105 9.180 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.470 2.346 8.870 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.764 2.674 8.484 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.308 -1.142 6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.072 -1.365 6.924 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.192 -0.647 8.294 1.00 0.00 H new ATOM 881 N LYS A 53 5.554 2.778 6.682 1.00 0.00 N ATOM 882 CA LYS A 53 6.747 3.485 7.135 1.00 0.00 C ATOM 883 C LYS A 53 6.928 4.798 6.364 1.00 0.00 C ATOM 884 O LYS A 53 7.250 5.823 6.960 1.00 0.00 O ATOM 885 CB LYS A 53 7.969 2.566 7.004 1.00 0.00 C ATOM 886 CG LYS A 53 9.197 3.140 7.722 1.00 0.00 C ATOM 887 CD LYS A 53 10.411 2.204 7.624 1.00 0.00 C ATOM 888 CE LYS A 53 10.980 2.126 6.201 1.00 0.00 C ATOM 889 NZ LYS A 53 12.170 1.259 6.148 1.00 0.00 N ATOM 0 H LYS A 53 5.740 1.819 6.387 1.00 0.00 H new ATOM 0 HA LYS A 53 6.634 3.751 8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.732 1.586 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.201 2.419 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.450 4.108 7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.956 3.312 8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.189 2.551 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.123 1.205 7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.218 1.743 5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.240 3.126 5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.532 1.226 5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.905 1.639 6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.914 0.299 6.455 1.00 0.00 H new ATOM 903 N LYS A 54 6.711 4.781 5.045 1.00 0.00 N ATOM 904 CA LYS A 54 6.807 5.976 4.211 1.00 0.00 C ATOM 905 C LYS A 54 5.557 6.873 4.309 1.00 0.00 C ATOM 906 O LYS A 54 5.411 7.794 3.508 1.00 0.00 O ATOM 907 CB LYS A 54 7.102 5.573 2.759 1.00 0.00 C ATOM 908 CG LYS A 54 8.459 4.866 2.621 1.00 0.00 C ATOM 909 CD LYS A 54 8.880 4.701 1.152 1.00 0.00 C ATOM 910 CE LYS A 54 7.898 3.862 0.327 1.00 0.00 C ATOM 911 NZ LYS A 54 7.728 2.510 0.884 1.00 0.00 N ATOM 0 H LYS A 54 6.464 3.937 4.529 1.00 0.00 H new ATOM 0 HA LYS A 54 7.634 6.579 4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.312 4.914 2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.090 6.461 2.127 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.220 5.436 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.406 3.886 3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.976 5.687 0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.865 4.235 1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.931 4.364 0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.256 3.789 -0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.933 1.803 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.382 2.379 1.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.749 2.391 1.215 1.00 0.00 H new ATOM 925 N GLY A 55 4.658 6.630 5.270 1.00 0.00 N ATOM 926 CA GLY A 55 3.456 7.427 5.478 1.00 0.00 C ATOM 927 C GLY A 55 2.460 7.300 4.326 1.00 0.00 C ATOM 928 O GLY A 55 1.643 8.196 4.109 1.00 0.00 O ATOM 0 H GLY A 55 4.752 5.860 5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.975 7.117 6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.735 8.474 5.599 1.00 0.00 H new ATOM 932 N ALA A 56 2.505 6.184 3.593 1.00 0.00 N ATOM 933 CA ALA A 56 1.628 5.955 2.459 1.00 0.00 C ATOM 934 C ALA A 56 0.224 5.568 2.922 1.00 0.00 C ATOM 935 O ALA A 56 -0.775 6.109 2.447 1.00 0.00 O ATOM 936 CB ALA A 56 2.198 4.829 1.593 1.00 0.00 C ATOM 0 H ALA A 56 3.153 5.418 3.775 1.00 0.00 H new ATOM 0 HA ALA A 56 1.564 6.878 1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.540 4.656 0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.188 5.111 1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.272 3.917 2.185 1.00 0.00 H new ATOM 942 N LEU A 57 0.149 4.599 3.837 1.00 0.00 N ATOM 943 CA LEU A 57 -1.100 4.015 4.294 1.00 0.00 C ATOM 944 C LEU A 57 -1.186 4.051 5.817 1.00 0.00 C ATOM 945 O LEU A 57 -0.175 3.898 6.498 1.00 0.00 O ATOM 946 CB LEU A 57 -1.191 2.559 3.813 1.00 0.00 C ATOM 947 CG LEU A 57 -0.799 2.303 2.345 1.00 0.00 C ATOM 948 CD1 LEU A 57 -0.735 0.788 2.145 1.00 0.00 C ATOM 949 CD2 LEU A 57 -1.761 2.935 1.326 1.00 0.00 C ATOM 0 H LEU A 57 0.972 4.196 4.285 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.926 4.595 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.553 1.947 4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.214 2.213 3.960 1.00 0.00 H new ATOM 0 HG LEU A 57 0.165 2.778 2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.459 0.568 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.010 0.363 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.710 0.351 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.419 2.711 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.762 2.527 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.785 4.015 1.470 1.00 0.00 H new ATOM 961 N ASN A 58 -2.402 4.233 6.334 1.00 0.00 N ATOM 962 CA ASN A 58 -2.741 4.196 7.746 1.00 0.00 C ATOM 963 C ASN A 58 -3.595 2.946 7.934 1.00 0.00 C ATOM 964 O ASN A 58 -4.656 2.854 7.315 1.00 0.00 O ATOM 965 CB ASN A 58 -3.538 5.454 8.108 1.00 0.00 C ATOM 966 CG ASN A 58 -4.137 5.338 9.507 1.00 0.00 C ATOM 967 OD1 ASN A 58 -3.589 5.860 10.469 1.00 0.00 O ATOM 968 ND2 ASN A 58 -5.259 4.635 9.631 1.00 0.00 N ATOM 0 H ASN A 58 -3.213 4.419 5.745 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.858 4.168 8.385 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.888 6.328 8.058 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.334 5.607 7.379 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.689 4.518 10.549 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.690 4.213 8.808 1.00 0.00 H new ATOM 975 N HIS A 59 -3.156 1.990 8.755 1.00 0.00 N ATOM 976 CA HIS A 59 -3.895 0.750 8.969 1.00 0.00 C ATOM 977 C HIS A 59 -4.758 0.779 10.226 1.00 0.00 C ATOM 978 O HIS A 59 -4.527 1.569 11.139 1.00 0.00 O ATOM 979 CB HIS A 59 -2.967 -0.463 8.983 1.00 0.00 C ATOM 980 CG HIS A 59 -2.013 -0.481 10.144 1.00 0.00 C ATOM 981 ND1 HIS A 59 -2.303 -1.174 11.318 1.00 0.00 N ATOM 982 CD2 HIS A 59 -0.794 0.128 10.269 1.00 0.00 C ATOM 983 CE1 HIS A 59 -1.257 -0.934 12.114 1.00 0.00 C ATOM 984 NE2 HIS A 59 -0.323 -0.165 11.531 1.00 0.00 N ATOM 0 H HIS A 59 -2.287 2.054 9.284 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.572 0.658 8.120 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.570 -1.371 9.006 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.396 -0.483 8.055 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.295 0.725 9.520 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.172 -1.318 13.120 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.559 0.141 11.941 1.00 0.00 H new ATOM 992 N HIS A 60 -5.758 -0.103 10.237 1.00 0.00 N ATOM 993 CA HIS A 60 -6.708 -0.314 11.321 1.00 0.00 C ATOM 994 C HIS A 60 -6.768 -1.818 11.563 1.00 0.00 C ATOM 995 O HIS A 60 -7.003 -2.562 10.614 1.00 0.00 O ATOM 996 CB HIS A 60 -8.102 0.185 10.912 1.00 0.00 C ATOM 997 CG HIS A 60 -8.129 1.585 10.361 1.00 0.00 C ATOM 998 ND1 HIS A 60 -8.578 2.668 11.114 1.00 0.00 N ATOM 999 CD2 HIS A 60 -7.783 2.024 9.112 1.00 0.00 C ATOM 1000 CE1 HIS A 60 -8.491 3.715 10.287 1.00 0.00 C ATOM 1001 NE2 HIS A 60 -8.018 3.380 9.077 1.00 0.00 N ATOM 0 H HIS A 60 -5.933 -0.721 9.445 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.399 0.228 12.215 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.512 -0.494 10.164 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.760 0.137 11.780 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.397 1.419 8.304 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.771 4.721 10.563 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.863 4.006 8.287 1.00 0.00 H new ATOM 1009 N LYS A 61 -6.568 -2.292 12.795 1.00 0.00 N ATOM 1010 CA LYS A 61 -6.609 -3.721 13.085 1.00 0.00 C ATOM 1011 C LYS A 61 -8.065 -4.134 13.302 1.00 0.00 C ATOM 1012 O LYS A 61 -8.717 -3.611 14.202 1.00 0.00 O ATOM 1013 CB LYS A 61 -5.732 -4.039 14.302 1.00 0.00 C ATOM 1014 CG LYS A 61 -4.267 -3.670 14.026 1.00 0.00 C ATOM 1015 CD LYS A 61 -3.361 -4.233 15.129 1.00 0.00 C ATOM 1016 CE LYS A 61 -1.898 -3.817 14.934 1.00 0.00 C ATOM 1017 NZ LYS A 61 -1.357 -4.273 13.640 1.00 0.00 N ATOM 0 H LYS A 61 -6.376 -1.704 13.606 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.208 -4.292 12.247 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.093 -3.489 15.171 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.806 -5.099 14.543 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.961 -4.065 13.057 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.161 -2.586 13.976 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.711 -3.884 16.100 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.431 -5.321 15.137 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.819 -2.732 14.997 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.294 -4.228 15.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.334 -4.090 13.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.530 -5.293 13.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.825 -3.758 12.867 1.00 0.00 H new ATOM 1031 N GLU A 62 -8.577 -5.052 12.472 1.00 0.00 N ATOM 1032 CA GLU A 62 -9.965 -5.486 12.503 1.00 0.00 C ATOM 1033 C GLU A 62 -10.070 -6.998 12.721 1.00 0.00 C ATOM 1034 O GLU A 62 -10.331 -7.766 11.793 1.00 0.00 O ATOM 1035 CB GLU A 62 -10.670 -5.027 11.219 1.00 0.00 C ATOM 1036 CG GLU A 62 -10.671 -3.490 11.131 1.00 0.00 C ATOM 1037 CD GLU A 62 -11.511 -2.948 9.977 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -12.401 -3.689 9.507 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -11.247 -1.789 9.588 1.00 0.00 O ATOM 0 H GLU A 62 -8.024 -5.516 11.752 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.470 -5.024 13.351 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.166 -5.448 10.349 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.694 -5.400 11.205 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.048 -3.080 12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.645 -3.139 11.019 1.00 0.00 H new ATOM 1046 N GLY A 63 -9.902 -7.407 13.981 1.00 0.00 N ATOM 1047 CA GLY A 63 -10.079 -8.773 14.455 1.00 0.00 C ATOM 1048 C GLY A 63 -9.073 -9.782 13.902 1.00 0.00 C ATOM 1049 O GLY A 63 -8.267 -10.321 14.660 1.00 0.00 O ATOM 0 H GLY A 63 -9.628 -6.766 14.725 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.014 -8.776 15.543 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.084 -9.105 14.195 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.174 -10.090 12.607 1.00 0.00 N ATOM 1054 CA ARG A 64 -8.347 -11.075 11.915 1.00 0.00 C ATOM 1055 C ARG A 64 -7.375 -10.392 10.958 1.00 0.00 C ATOM 1056 O ARG A 64 -6.187 -10.705 10.958 1.00 0.00 O ATOM 1057 CB ARG A 64 -9.232 -12.086 11.171 1.00 0.00 C ATOM 1058 CG ARG A 64 -10.252 -12.833 12.032 1.00 0.00 C ATOM 1059 CD ARG A 64 -9.555 -13.817 12.976 1.00 0.00 C ATOM 1060 NE ARG A 64 -9.002 -13.122 14.142 1.00 0.00 N ATOM 1061 CZ ARG A 64 -8.158 -13.633 15.043 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -7.928 -14.948 15.099 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -7.543 -12.786 15.874 1.00 0.00 N ATOM 0 H ARG A 64 -9.856 -9.645 11.993 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.759 -11.615 12.657 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.767 -11.560 10.380 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.587 -12.819 10.686 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.837 -12.119 12.612 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.950 -13.371 11.391 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.264 -14.577 13.304 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.757 -14.334 12.444 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.290 -12.153 14.279 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.399 -15.576 14.448 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.281 -15.323 15.792 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.725 -11.784 15.808 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.892 -13.141 16.574 1.00 0.00 H new ATOM 1077 N VAL A 65 -7.874 -9.468 10.135 1.00 0.00 N ATOM 1078 CA VAL A 65 -7.070 -8.730 9.181 1.00 0.00 C ATOM 1079 C VAL A 65 -6.847 -7.323 9.723 1.00 0.00 C ATOM 1080 O VAL A 65 -7.463 -6.922 10.713 1.00 0.00 O ATOM 1081 CB VAL A 65 -7.813 -8.658 7.836 1.00 0.00 C ATOM 1082 CG1 VAL A 65 -8.082 -10.048 7.252 1.00 0.00 C ATOM 1083 CG2 VAL A 65 -9.146 -7.893 7.958 1.00 0.00 C ATOM 0 H VAL A 65 -8.862 -9.214 10.118 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.111 -9.226 9.031 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.153 -8.116 7.159 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.608 -9.948 6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.136 -10.564 7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.694 -10.623 7.947 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.640 -7.865 6.987 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.790 -8.398 8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.952 -6.875 8.296 1.00 0.00 H new ATOM 1093 N PHE A 66 -5.977 -6.562 9.063 1.00 0.00 N ATOM 1094 CA PHE A 66 -5.797 -5.154 9.345 1.00 0.00 C ATOM 1095 C PHE A 66 -6.064 -4.429 8.029 1.00 0.00 C ATOM 1096 O PHE A 66 -5.489 -4.771 6.997 1.00 0.00 O ATOM 1097 CB PHE A 66 -4.474 -4.848 10.068 1.00 0.00 C ATOM 1098 CG PHE A 66 -3.147 -5.258 9.450 1.00 0.00 C ATOM 1099 CD1 PHE A 66 -2.825 -6.623 9.305 1.00 0.00 C ATOM 1100 CD2 PHE A 66 -2.113 -4.304 9.367 1.00 0.00 C ATOM 1101 CE1 PHE A 66 -1.516 -7.015 8.975 1.00 0.00 C ATOM 1102 CE2 PHE A 66 -0.799 -4.696 9.055 1.00 0.00 C ATOM 1103 CZ PHE A 66 -0.504 -6.051 8.839 1.00 0.00 C ATOM 0 H PHE A 66 -5.378 -6.913 8.316 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.503 -4.777 10.085 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.436 -3.770 10.228 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.529 -5.314 11.052 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.589 -7.373 9.448 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.332 -3.261 9.545 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.288 -8.060 8.826 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.017 -3.955 8.982 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.498 -6.351 8.569 1.00 0.00 H new ATOM 1113 N VAL A 67 -7.035 -3.516 8.047 1.00 0.00 N ATOM 1114 CA VAL A 67 -7.507 -2.801 6.876 1.00 0.00 C ATOM 1115 C VAL A 67 -6.620 -1.590 6.653 1.00 0.00 C ATOM 1116 O VAL A 67 -6.341 -0.865 7.605 1.00 0.00 O ATOM 1117 CB VAL A 67 -8.985 -2.416 7.058 1.00 0.00 C ATOM 1118 CG1 VAL A 67 -9.510 -1.573 5.887 1.00 0.00 C ATOM 1119 CG2 VAL A 67 -9.841 -3.684 7.171 1.00 0.00 C ATOM 0 H VAL A 67 -7.524 -3.251 8.902 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.449 -3.433 5.990 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.054 -1.821 7.968 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.557 -1.324 6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.927 -0.655 5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.419 -2.140 4.961 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.887 -3.406 7.300 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.732 -4.278 6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.513 -4.269 8.030 1.00 0.00 H new ATOM 1129 N TYR A 68 -6.179 -1.375 5.411 1.00 0.00 N ATOM 1130 CA TYR A 68 -5.333 -0.244 5.067 1.00 0.00 C ATOM 1131 C TYR A 68 -6.191 0.854 4.466 1.00 0.00 C ATOM 1132 O TYR A 68 -6.795 0.645 3.415 1.00 0.00 O ATOM 1133 CB TYR A 68 -4.269 -0.666 4.045 1.00 0.00 C ATOM 1134 CG TYR A 68 -3.546 -1.930 4.434 1.00 0.00 C ATOM 1135 CD1 TYR A 68 -2.646 -1.913 5.512 1.00 0.00 C ATOM 1136 CD2 TYR A 68 -3.982 -3.155 3.905 1.00 0.00 C ATOM 1137 CE1 TYR A 68 -2.269 -3.116 6.130 1.00 0.00 C ATOM 1138 CE2 TYR A 68 -3.592 -4.354 4.511 1.00 0.00 C ATOM 1139 CZ TYR A 68 -2.799 -4.333 5.667 1.00 0.00 C ATOM 1140 OH TYR A 68 -2.551 -5.502 6.320 1.00 0.00 O ATOM 0 H TYR A 68 -6.401 -1.982 4.622 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.837 0.116 5.969 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.743 -0.809 3.074 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.544 0.140 3.930 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.244 -0.975 5.865 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.617 -3.172 3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.575 -3.106 6.957 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.902 -5.298 4.087 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.490 -5.332 7.283 1.00 0.00 H new ATOM 1150 N THR A 69 -6.206 2.027 5.098 1.00 0.00 N ATOM 1151 CA THR A 69 -6.826 3.210 4.532 1.00 0.00 C ATOM 1152 C THR A 69 -5.657 4.021 3.982 1.00 0.00 C ATOM 1153 O THR A 69 -4.724 4.307 4.735 1.00 0.00 O ATOM 1154 CB THR A 69 -7.614 4.009 5.570 1.00 0.00 C ATOM 1155 OG1 THR A 69 -6.854 4.250 6.741 1.00 0.00 O ATOM 1156 CG2 THR A 69 -8.910 3.290 5.951 1.00 0.00 C ATOM 0 H THR A 69 -5.787 2.177 6.016 1.00 0.00 H new ATOM 0 HA THR A 69 -7.558 2.952 3.767 1.00 0.00 H new ATOM 0 HB THR A 69 -7.853 4.967 5.108 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.937 3.930 6.608 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.450 3.881 6.691 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.531 3.164 5.064 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.674 2.312 6.370 1.00 0.00 H new ATOM 1164 N PRO A 70 -5.648 4.360 2.691 1.00 0.00 N ATOM 1165 CA PRO A 70 -4.531 5.055 2.096 1.00 0.00 C ATOM 1166 C PRO A 70 -4.490 6.498 2.606 1.00 0.00 C ATOM 1167 O PRO A 70 -5.488 7.211 2.540 1.00 0.00 O ATOM 1168 CB PRO A 70 -4.721 4.910 0.586 1.00 0.00 C ATOM 1169 CG PRO A 70 -6.237 4.806 0.442 1.00 0.00 C ATOM 1170 CD PRO A 70 -6.707 4.133 1.731 1.00 0.00 C ATOM 0 HA PRO A 70 -3.558 4.646 2.367 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.322 5.767 0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.217 4.025 0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.691 5.789 0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.512 4.218 -0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.649 4.560 2.076 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.877 3.067 1.578 1.00 0.00 H new ATOM 1178 N ASN A 71 -3.342 6.909 3.151 1.00 0.00 N ATOM 1179 CA ASN A 71 -3.135 8.249 3.688 1.00 0.00 C ATOM 1180 C ASN A 71 -2.925 9.240 2.544 1.00 0.00 C ATOM 1181 O ASN A 71 -3.247 10.417 2.679 1.00 0.00 O ATOM 1182 CB ASN A 71 -1.940 8.236 4.652 1.00 0.00 C ATOM 1183 CG ASN A 71 -1.575 9.634 5.142 1.00 0.00 C ATOM 1184 OD1 ASN A 71 -2.397 10.326 5.732 1.00 0.00 O ATOM 1185 ND2 ASN A 71 -0.331 10.052 4.928 1.00 0.00 N ATOM 0 H ASN A 71 -2.521 6.309 3.231 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.016 8.567 4.245 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.174 7.603 5.508 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.079 7.792 4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.038 10.972 5.258 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.330 9.453 4.434 1.00 0.00 H new ATOM 1192 N ILE A 72 -2.403 8.757 1.411 1.00 0.00 N ATOM 1193 CA ILE A 72 -2.141 9.558 0.225 1.00 0.00 C ATOM 1194 C ILE A 72 -3.093 9.153 -0.910 1.00 0.00 C ATOM 1195 O ILE A 72 -3.740 8.104 -0.860 1.00 0.00 O ATOM 1196 CB ILE A 72 -0.643 9.504 -0.152 1.00 0.00 C ATOM 1197 CG1 ILE A 72 -0.198 8.337 -1.054 1.00 0.00 C ATOM 1198 CG2 ILE A 72 0.251 9.589 1.094 1.00 0.00 C ATOM 1199 CD1 ILE A 72 -0.561 6.925 -0.594 1.00 0.00 C ATOM 0 H ILE A 72 -2.148 7.776 1.298 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.350 10.607 0.432 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.513 10.389 -0.775 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.628 8.491 -2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.885 8.389 -1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.298 9.548 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.059 10.526 1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.031 8.753 1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.190 6.200 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.108 6.732 0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.644 6.836 -0.514 1.00 0.00 H new ATOM 1211 N ASP A 73 -3.219 10.026 -1.912 1.00 0.00 N ATOM 1212 CA ASP A 73 -4.033 9.829 -3.106 1.00 0.00 C ATOM 1213 C ASP A 73 -3.093 9.749 -4.306 1.00 0.00 C ATOM 1214 O ASP A 73 -1.967 10.232 -4.224 1.00 0.00 O ATOM 1215 CB ASP A 73 -4.997 11.015 -3.257 1.00 0.00 C ATOM 1216 CG ASP A 73 -5.756 10.996 -4.582 1.00 0.00 C ATOM 1217 OD1 ASP A 73 -6.793 10.302 -4.632 1.00 0.00 O ATOM 1218 OD2 ASP A 73 -5.272 11.657 -5.529 1.00 0.00 O ATOM 0 H ASP A 73 -2.736 10.924 -1.910 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.619 8.912 -3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.712 11.003 -2.434 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.435 11.946 -3.179 1.00 0.00 H new ATOM 1223 N GLU A 74 -3.564 9.176 -5.416 1.00 0.00 N ATOM 1224 CA GLU A 74 -2.840 9.069 -6.679 1.00 0.00 C ATOM 1225 C GLU A 74 -2.077 10.363 -6.984 1.00 0.00 C ATOM 1226 O GLU A 74 -0.873 10.350 -7.226 1.00 0.00 O ATOM 1227 CB GLU A 74 -3.822 8.786 -7.828 1.00 0.00 C ATOM 1228 CG GLU A 74 -4.595 7.466 -7.709 1.00 0.00 C ATOM 1229 CD GLU A 74 -5.879 7.574 -6.887 1.00 0.00 C ATOM 1230 OE1 GLU A 74 -5.765 7.561 -5.643 1.00 0.00 O ATOM 1231 OE2 GLU A 74 -6.951 7.679 -7.520 1.00 0.00 O ATOM 0 H GLU A 74 -4.494 8.760 -5.459 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.128 8.249 -6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.538 9.606 -7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.268 8.782 -8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.844 7.110 -8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.947 6.716 -7.256 1.00 0.00 H new ATOM 1238 N SER A 75 -2.794 11.487 -6.938 1.00 0.00 N ATOM 1239 CA SER A 75 -2.276 12.819 -7.224 1.00 0.00 C ATOM 1240 C SER A 75 -1.049 13.201 -6.393 1.00 0.00 C ATOM 1241 O SER A 75 -0.274 14.056 -6.812 1.00 0.00 O ATOM 1242 CB SER A 75 -3.392 13.849 -7.018 1.00 0.00 C ATOM 1243 OG SER A 75 -4.616 13.374 -7.551 1.00 0.00 O ATOM 0 H SER A 75 -3.784 11.491 -6.692 1.00 0.00 H new ATOM 0 HA SER A 75 -1.941 12.810 -8.261 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.509 14.058 -5.955 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.120 14.788 -7.499 1.00 0.00 H new ATOM 0 HG SER A 75 -5.086 12.847 -6.872 1.00 0.00 H new ATOM 1249 N ASP A 76 -0.878 12.606 -5.210 1.00 0.00 N ATOM 1250 CA ASP A 76 0.266 12.873 -4.353 1.00 0.00 C ATOM 1251 C ASP A 76 1.543 12.257 -4.931 1.00 0.00 C ATOM 1252 O ASP A 76 2.641 12.689 -4.583 1.00 0.00 O ATOM 1253 CB ASP A 76 -0.007 12.312 -2.952 1.00 0.00 C ATOM 1254 CG ASP A 76 1.095 12.682 -1.966 1.00 0.00 C ATOM 1255 OD1 ASP A 76 1.159 13.880 -1.617 1.00 0.00 O ATOM 1256 OD2 ASP A 76 1.834 11.757 -1.564 1.00 0.00 O ATOM 0 H ASP A 76 -1.533 11.926 -4.824 1.00 0.00 H new ATOM 0 HA ASP A 76 0.414 13.951 -4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.962 12.692 -2.589 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.096 11.227 -3.007 1.00 0.00 H new ATOM 1261 N TYR A 77 1.425 11.250 -5.807 1.00 0.00 N ATOM 1262 CA TYR A 77 2.570 10.544 -6.362 1.00 0.00 C ATOM 1263 C TYR A 77 3.300 11.346 -7.449 1.00 0.00 C ATOM 1264 O TYR A 77 3.363 10.944 -8.608 1.00 0.00 O ATOM 1265 CB TYR A 77 2.150 9.143 -6.834 1.00 0.00 C ATOM 1266 CG TYR A 77 3.316 8.268 -7.257 1.00 0.00 C ATOM 1267 CD1 TYR A 77 4.345 7.987 -6.339 1.00 0.00 C ATOM 1268 CD2 TYR A 77 3.459 7.876 -8.602 1.00 0.00 C ATOM 1269 CE1 TYR A 77 5.516 7.345 -6.769 1.00 0.00 C ATOM 1270 CE2 TYR A 77 4.615 7.195 -9.019 1.00 0.00 C ATOM 1271 CZ TYR A 77 5.633 6.908 -8.099 1.00 0.00 C ATOM 1272 OH TYR A 77 6.741 6.226 -8.505 1.00 0.00 O ATOM 0 H TYR A 77 0.527 10.907 -6.147 1.00 0.00 H new ATOM 0 HA TYR A 77 3.305 10.424 -5.566 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.607 8.646 -6.030 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.459 9.243 -7.671 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.233 8.266 -5.302 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.679 8.099 -9.314 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.329 7.186 -6.076 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.720 6.892 -10.050 1.00 0.00 H new ATOM 0 HH TYR A 77 7.290 6.000 -7.725 1.00 0.00 H new ATOM 1282 N ILE A 78 3.864 12.487 -7.057 1.00 0.00 N ATOM 1283 CA ILE A 78 4.744 13.321 -7.860 1.00 0.00 C ATOM 1284 C ILE A 78 6.087 13.204 -7.144 1.00 0.00 C ATOM 1285 O ILE A 78 6.284 13.830 -6.107 1.00 0.00 O ATOM 1286 CB ILE A 78 4.216 14.767 -7.916 1.00 0.00 C ATOM 1287 CG1 ILE A 78 2.739 14.745 -8.343 1.00 0.00 C ATOM 1288 CG2 ILE A 78 5.082 15.586 -8.885 1.00 0.00 C ATOM 1289 CD1 ILE A 78 2.163 16.130 -8.649 1.00 0.00 C ATOM 0 H ILE A 78 3.709 12.870 -6.124 1.00 0.00 H new ATOM 0 HA ILE A 78 4.816 13.015 -8.904 1.00 0.00 H new ATOM 0 HB ILE A 78 4.277 15.239 -6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.635 14.115 -9.227 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.149 14.283 -7.552 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.711 16.610 -8.927 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.115 15.588 -8.537 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.035 15.142 -9.879 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.118 16.033 -8.943 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.233 16.758 -7.761 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.727 16.587 -9.462 1.00 0.00 H new ATOM 1301 N GLU A 79 7.017 12.404 -7.668 1.00 0.00 N ATOM 1302 CA GLU A 79 8.211 12.046 -6.932 1.00 0.00 C ATOM 1303 C GLU A 79 9.203 13.207 -6.818 1.00 0.00 C ATOM 1304 O GLU A 79 10.015 13.442 -7.709 1.00 0.00 O ATOM 1305 CB GLU A 79 8.867 10.843 -7.624 1.00 0.00 C ATOM 1306 CG GLU A 79 7.927 9.640 -7.811 1.00 0.00 C ATOM 1307 CD GLU A 79 7.320 9.593 -9.212 1.00 0.00 C ATOM 1308 OE1 GLU A 79 6.402 10.405 -9.459 1.00 0.00 O ATOM 1309 OE2 GLU A 79 7.803 8.770 -10.018 1.00 0.00 O ATOM 0 H GLU A 79 6.958 11.996 -8.601 1.00 0.00 H new ATOM 0 HA GLU A 79 7.923 11.790 -5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.238 11.156 -8.600 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.732 10.528 -7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.478 8.718 -7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.127 9.688 -7.072 1.00 0.00 H new ATOM 1316 N VAL A 80 9.155 13.886 -5.671 1.00 0.00 N ATOM 1317 CA VAL A 80 10.047 14.946 -5.249 1.00 0.00 C ATOM 1318 C VAL A 80 10.823 14.460 -4.020 1.00 0.00 C ATOM 1319 O VAL A 80 10.325 13.635 -3.249 1.00 0.00 O ATOM 1320 CB VAL A 80 9.260 16.235 -4.966 1.00 0.00 C ATOM 1321 CG1 VAL A 80 8.658 16.796 -6.260 1.00 0.00 C ATOM 1322 CG2 VAL A 80 8.154 16.069 -3.916 1.00 0.00 C ATOM 0 H VAL A 80 8.440 13.690 -4.971 1.00 0.00 H new ATOM 0 HA VAL A 80 10.756 15.186 -6.041 1.00 0.00 H new ATOM 0 HB VAL A 80 9.985 16.936 -4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.105 17.709 -6.038 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.458 17.019 -6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.983 16.060 -6.696 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.644 17.021 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.437 15.322 -4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.594 15.746 -2.972 1.00 0.00 H new ATOM 1332 N LYS A 81 12.058 14.942 -3.857 1.00 0.00 N ATOM 1333 CA LYS A 81 12.905 14.606 -2.722 1.00 0.00 C ATOM 1334 C LYS A 81 12.365 15.274 -1.450 1.00 0.00 C ATOM 1335 O LYS A 81 12.850 16.326 -1.031 1.00 0.00 O ATOM 1336 CB LYS A 81 14.369 14.977 -3.018 1.00 0.00 C ATOM 1337 CG LYS A 81 14.556 16.385 -3.612 1.00 0.00 C ATOM 1338 CD LYS A 81 15.980 16.916 -3.387 1.00 0.00 C ATOM 1339 CE LYS A 81 16.098 17.773 -2.116 1.00 0.00 C ATOM 1340 NZ LYS A 81 15.698 17.045 -0.899 1.00 0.00 N ATOM 0 H LYS A 81 12.497 15.582 -4.519 1.00 0.00 H new ATOM 0 HA LYS A 81 12.884 13.530 -2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.944 14.905 -2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.785 14.245 -3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.342 16.360 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.838 17.069 -3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.671 16.075 -3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.283 17.509 -4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.127 18.115 -2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.476 18.662 -2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.877 17.639 -0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.685 16.814 -0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.250 16.167 -0.823 1.00 0.00 H new ATOM 1354 N SER A 82 11.328 14.688 -0.856 1.00 0.00 N ATOM 1355 CA SER A 82 10.707 15.182 0.360 1.00 0.00 C ATOM 1356 C SER A 82 10.117 14.007 1.138 1.00 0.00 C ATOM 1357 O SER A 82 10.896 13.348 1.859 1.00 0.00 O ATOM 1358 CB SER A 82 9.662 16.244 0.017 1.00 0.00 C ATOM 1359 OG SER A 82 10.246 17.328 -0.689 1.00 0.00 O ATOM 1360 OXT SER A 82 8.902 13.711 1.026 1.00 0.00 O ATOM 0 H SER A 82 10.891 13.840 -1.217 1.00 0.00 H new ATOM 0 HA SER A 82 11.449 15.661 0.999 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.870 15.798 -0.585 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.198 16.611 0.933 1.00 0.00 H new ATOM 0 HG SER A 82 9.556 17.992 -0.898 1.00 0.00 H new TER 1366 SER A 82