USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 714 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 3 THR OG1 : rot 106:sc= 0.265 USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0.184 USER MOD Set 2.1: A 59 CYS SG : rot -107:sc= 0.194 USER MOD Set 2.2: A 69 TYR OH : rot 116:sc= 0.303 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -170:sc= -0.184 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= -0.173 (180deg=-0.724) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.998 K(o=-1,f=-4.3!) USER MOD Single : A 36 THR OG1 : rot -160:sc= -1.02 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot -156:sc= 1.26 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.565 K(o=-0.57,f=-0.04) USER MOD Single : A 60 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-2.8) USER MOD Single : A 62 LYS NZ :NH3+ 157:sc= -0.626 (180deg=-1.26) USER MOD Single : A 70 GLN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.7!) USER MOD Single : A 76 ASN : amide:sc=-0.000643 X(o=-0.00064,f=0) USER MOD Single : A 85 SER OG : rot 68:sc= -0.111 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 2.222 -5.991 11.955 1.00 0.00 N ATOM 21 CA LEU A 2 2.875 -6.662 10.836 1.00 0.00 C ATOM 22 C LEU A 2 4.110 -5.889 10.387 1.00 0.00 C ATOM 23 O LEU A 2 4.084 -4.663 10.285 1.00 0.00 O ATOM 24 CB LEU A 2 1.902 -6.823 9.663 1.00 0.00 C ATOM 25 CG LEU A 2 0.881 -5.694 9.502 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.394 -5.615 8.063 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.289 -5.895 10.453 1.00 0.00 C ATOM 0 HA LEU A 2 3.187 -7.651 11.172 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.479 -6.903 8.742 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.364 -7.763 9.785 1.00 0.00 H new ATOM 0 HG LEU A 2 1.368 -4.751 9.751 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.331 -4.807 7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.240 -5.423 7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.076 -6.558 7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.005 -5.083 10.325 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.775 -6.846 10.236 1.00 0.00 H new ATOM 0 HD23 LEU A 2 0.074 -5.900 11.481 1.00 0.00 H new ATOM 39 N THR A 3 5.193 -6.614 10.125 1.00 0.00 N ATOM 40 CA THR A 3 6.441 -5.996 9.691 1.00 0.00 C ATOM 41 C THR A 3 6.236 -5.188 8.414 1.00 0.00 C ATOM 42 O THR A 3 5.118 -5.064 7.915 1.00 0.00 O ATOM 43 CB THR A 3 7.514 -7.061 9.462 1.00 0.00 C ATOM 44 OG1 THR A 3 7.156 -8.280 10.090 1.00 0.00 O ATOM 45 CG2 THR A 3 8.876 -6.659 9.985 1.00 0.00 C ATOM 0 H THR A 3 5.232 -7.630 10.206 1.00 0.00 H new ATOM 0 HA THR A 3 6.771 -5.320 10.480 1.00 0.00 H new ATOM 0 HB THR A 3 7.577 -7.179 8.380 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.871 -8.926 9.411 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.591 -7.459 9.791 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.204 -5.749 9.483 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.815 -6.480 11.058 1.00 0.00 H new ATOM 53 N ILE A 4 7.329 -4.641 7.891 1.00 0.00 N ATOM 54 CA ILE A 4 7.279 -3.845 6.675 1.00 0.00 C ATOM 55 C ILE A 4 8.427 -4.206 5.738 1.00 0.00 C ATOM 56 O ILE A 4 9.595 -3.992 6.061 1.00 0.00 O ATOM 57 CB ILE A 4 7.344 -2.340 6.994 1.00 0.00 C ATOM 58 CG1 ILE A 4 6.304 -1.973 8.052 1.00 0.00 C ATOM 59 CG2 ILE A 4 7.135 -1.525 5.729 1.00 0.00 C ATOM 60 CD1 ILE A 4 6.796 -2.156 9.471 1.00 0.00 C ATOM 0 H ILE A 4 8.261 -4.736 8.294 1.00 0.00 H new ATOM 0 HA ILE A 4 6.331 -4.066 6.185 1.00 0.00 H new ATOM 0 HB ILE A 4 8.332 -2.109 7.393 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.005 -0.934 7.911 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.414 -2.584 7.903 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.183 -0.463 5.968 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.913 -1.770 5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.159 -1.757 5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.006 -1.877 10.169 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.068 -3.199 9.630 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.668 -1.524 9.638 1.00 0.00 H new ATOM 72 N GLU A 5 8.085 -4.752 4.575 1.00 0.00 N ATOM 73 CA GLU A 5 9.088 -5.139 3.591 1.00 0.00 C ATOM 74 C GLU A 5 9.060 -4.199 2.390 1.00 0.00 C ATOM 75 O GLU A 5 8.066 -3.515 2.149 1.00 0.00 O ATOM 76 CB GLU A 5 8.856 -6.580 3.132 1.00 0.00 C ATOM 77 CG GLU A 5 9.647 -7.606 3.927 1.00 0.00 C ATOM 78 CD GLU A 5 11.144 -7.379 3.848 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.693 -7.438 2.728 1.00 0.00 O ATOM 80 OE2 GLU A 5 11.766 -7.141 4.904 1.00 0.00 O ATOM 0 H GLU A 5 7.122 -4.936 4.292 1.00 0.00 H new ATOM 0 HA GLU A 5 10.069 -5.070 4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.794 -6.811 3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.123 -6.664 2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.333 -7.572 4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.415 -8.604 3.556 1.00 0.00 H new ATOM 87 N THR A 6 10.157 -4.170 1.639 1.00 0.00 N ATOM 88 CA THR A 6 10.254 -3.312 0.464 1.00 0.00 C ATOM 89 C THR A 6 10.946 -4.038 -0.685 1.00 0.00 C ATOM 90 O THR A 6 11.793 -4.904 -0.465 1.00 0.00 O ATOM 91 CB THR A 6 11.016 -2.030 0.806 1.00 0.00 C ATOM 92 OG1 THR A 6 12.270 -2.333 1.390 1.00 0.00 O ATOM 93 CG2 THR A 6 10.269 -1.128 1.763 1.00 0.00 C ATOM 0 H THR A 6 10.989 -4.730 1.823 1.00 0.00 H new ATOM 0 HA THR A 6 9.243 -3.053 0.149 1.00 0.00 H new ATOM 0 HB THR A 6 11.139 -1.505 -0.141 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.743 -1.501 1.600 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.865 -0.237 1.964 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.317 -0.836 1.320 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.086 -1.660 2.697 1.00 0.00 H new ATOM 101 N SER A 7 10.579 -3.679 -1.909 1.00 0.00 N ATOM 102 CA SER A 7 11.164 -4.295 -3.094 1.00 0.00 C ATOM 103 C SER A 7 11.897 -3.259 -3.942 1.00 0.00 C ATOM 104 O SER A 7 12.118 -2.130 -3.506 1.00 0.00 O ATOM 105 CB SER A 7 10.076 -4.977 -3.929 1.00 0.00 C ATOM 106 OG SER A 7 10.469 -6.284 -4.308 1.00 0.00 O ATOM 0 H SER A 7 9.879 -2.964 -2.107 1.00 0.00 H new ATOM 0 HA SER A 7 11.885 -5.044 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.150 -5.024 -3.356 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.871 -4.383 -4.820 1.00 0.00 H new ATOM 0 HG SER A 7 9.835 -6.638 -4.966 1.00 0.00 H new ATOM 112 N LYS A 8 12.272 -3.652 -5.155 1.00 0.00 N ATOM 113 CA LYS A 8 12.979 -2.757 -6.063 1.00 0.00 C ATOM 114 C LYS A 8 12.015 -1.773 -6.717 1.00 0.00 C ATOM 115 O LYS A 8 12.288 -0.574 -6.783 1.00 0.00 O ATOM 116 CB LYS A 8 13.710 -3.564 -7.139 1.00 0.00 C ATOM 117 CG LYS A 8 14.775 -4.494 -6.583 1.00 0.00 C ATOM 118 CD LYS A 8 15.598 -5.125 -7.693 1.00 0.00 C ATOM 119 CE LYS A 8 14.888 -6.323 -8.301 1.00 0.00 C ATOM 120 NZ LYS A 8 15.544 -6.780 -9.557 1.00 0.00 N ATOM 0 H LYS A 8 12.098 -4.584 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 8 13.708 -2.192 -5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.982 -4.152 -7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.174 -2.876 -7.846 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.431 -3.938 -5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.302 -5.276 -5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.793 -4.384 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.565 -5.436 -7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.874 -7.141 -7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.850 -6.063 -8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.029 -7.599 -9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.535 -6.008 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.527 -7.053 -9.356 1.00 0.00 H new ATOM 134 N LYS A 9 10.888 -2.287 -7.197 1.00 0.00 N ATOM 135 CA LYS A 9 9.883 -1.453 -7.847 1.00 0.00 C ATOM 136 C LYS A 9 9.341 -0.404 -6.882 1.00 0.00 C ATOM 137 O LYS A 9 9.008 0.710 -7.283 1.00 0.00 O ATOM 138 CB LYS A 9 8.737 -2.317 -8.376 1.00 0.00 C ATOM 139 CG LYS A 9 9.200 -3.480 -9.240 1.00 0.00 C ATOM 140 CD LYS A 9 8.352 -4.719 -9.007 1.00 0.00 C ATOM 141 CE LYS A 9 9.048 -5.707 -8.084 1.00 0.00 C ATOM 142 NZ LYS A 9 8.740 -7.119 -8.444 1.00 0.00 N ATOM 0 H LYS A 9 10.647 -3.277 -7.148 1.00 0.00 H new ATOM 0 HA LYS A 9 10.358 -0.941 -8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.167 -2.706 -7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.059 -1.691 -8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.150 -3.196 -10.291 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.243 -3.705 -9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.394 -4.429 -8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.139 -5.200 -9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.125 -5.548 -8.129 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.741 -5.520 -7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.234 -7.760 -7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.715 -7.279 -8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.056 -7.306 -9.417 1.00 0.00 H new ATOM 156 N PHE A 10 9.255 -0.770 -5.607 1.00 0.00 N ATOM 157 CA PHE A 10 8.751 0.138 -4.583 1.00 0.00 C ATOM 158 C PHE A 10 9.738 1.273 -4.328 1.00 0.00 C ATOM 159 O PHE A 10 9.341 2.416 -4.103 1.00 0.00 O ATOM 160 CB PHE A 10 8.484 -0.625 -3.283 1.00 0.00 C ATOM 161 CG PHE A 10 7.932 0.234 -2.181 1.00 0.00 C ATOM 162 CD1 PHE A 10 6.979 1.203 -2.448 1.00 0.00 C ATOM 163 CD2 PHE A 10 8.369 0.074 -0.875 1.00 0.00 C ATOM 164 CE1 PHE A 10 6.469 1.994 -1.435 1.00 0.00 C ATOM 165 CE2 PHE A 10 7.864 0.862 0.141 1.00 0.00 C ATOM 166 CZ PHE A 10 6.913 1.823 -0.140 1.00 0.00 C ATOM 0 H PHE A 10 9.528 -1.689 -5.258 1.00 0.00 H new ATOM 0 HA PHE A 10 7.816 0.569 -4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.784 -1.436 -3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.413 -1.083 -2.944 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.630 1.343 -3.460 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.113 -0.676 -0.649 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.725 2.744 -1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.213 0.727 1.154 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.517 2.440 0.653 1.00 0.00 H new ATOM 176 N ASP A 11 11.027 0.950 -4.364 1.00 0.00 N ATOM 177 CA ASP A 11 12.070 1.943 -4.137 1.00 0.00 C ATOM 178 C ASP A 11 12.200 2.882 -5.333 1.00 0.00 C ATOM 179 O ASP A 11 12.577 4.044 -5.185 1.00 0.00 O ATOM 180 CB ASP A 11 13.409 1.256 -3.867 1.00 0.00 C ATOM 181 CG ASP A 11 14.238 1.992 -2.831 1.00 0.00 C ATOM 182 OD1 ASP A 11 13.643 2.585 -1.906 1.00 0.00 O ATOM 183 OD2 ASP A 11 15.482 1.976 -2.946 1.00 0.00 O ATOM 0 H ASP A 11 11.374 0.009 -4.548 1.00 0.00 H new ATOM 0 HA ASP A 11 11.789 2.532 -3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.229 0.236 -3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 11 13.973 1.187 -4.797 1.00 0.00 H new ATOM 188 N LYS A 12 11.885 2.370 -6.518 1.00 0.00 N ATOM 189 CA LYS A 12 11.966 3.162 -7.740 1.00 0.00 C ATOM 190 C LYS A 12 10.793 4.130 -7.847 1.00 0.00 C ATOM 191 O LYS A 12 10.876 5.146 -8.538 1.00 0.00 O ATOM 192 CB LYS A 12 11.998 2.246 -8.964 1.00 0.00 C ATOM 193 CG LYS A 12 13.202 1.319 -9.000 1.00 0.00 C ATOM 194 CD LYS A 12 12.876 0.005 -9.698 1.00 0.00 C ATOM 195 CE LYS A 12 13.933 -0.357 -10.729 1.00 0.00 C ATOM 196 NZ LYS A 12 14.081 0.699 -11.769 1.00 0.00 N ATOM 0 H LYS A 12 11.571 1.410 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 12 12.887 3.743 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.088 1.646 -8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.995 2.858 -9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.026 1.811 -9.516 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.538 1.118 -7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.800 -0.792 -8.958 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.904 0.082 -10.184 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.889 -0.511 -10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.667 -1.301 -11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.392 0.266 -12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.167 1.173 -11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.787 1.396 -11.458 1.00 0.00 H new ATOM 210 N ASP A 13 9.698 3.812 -7.163 1.00 0.00 N ATOM 211 CA ASP A 13 8.508 4.656 -7.188 1.00 0.00 C ATOM 212 C ASP A 13 8.614 5.784 -6.166 1.00 0.00 C ATOM 213 O ASP A 13 8.334 6.942 -6.475 1.00 0.00 O ATOM 214 CB ASP A 13 7.258 3.815 -6.914 1.00 0.00 C ATOM 215 CG ASP A 13 6.218 3.952 -8.008 1.00 0.00 C ATOM 216 OD1 ASP A 13 6.019 5.082 -8.499 1.00 0.00 O ATOM 217 OD2 ASP A 13 5.602 2.929 -8.374 1.00 0.00 O ATOM 0 H ASP A 13 9.610 2.976 -6.585 1.00 0.00 H new ATOM 0 HA ASP A 13 8.429 5.101 -8.180 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.543 2.767 -6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.822 4.117 -5.962 1.00 0.00 H new ATOM 222 N LEU A 14 9.017 5.440 -4.948 1.00 0.00 N ATOM 223 CA LEU A 14 9.155 6.423 -3.880 1.00 0.00 C ATOM 224 C LEU A 14 10.162 7.506 -4.257 1.00 0.00 C ATOM 225 O LEU A 14 9.978 8.680 -3.931 1.00 0.00 O ATOM 226 CB LEU A 14 9.587 5.742 -2.581 1.00 0.00 C ATOM 227 CG LEU A 14 8.611 4.695 -2.040 1.00 0.00 C ATOM 228 CD1 LEU A 14 9.231 3.938 -0.875 1.00 0.00 C ATOM 229 CD2 LEU A 14 7.305 5.353 -1.617 1.00 0.00 C ATOM 0 H LEU A 14 9.254 4.486 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 14 8.183 6.893 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.554 5.265 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.733 6.508 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 14 8.395 3.982 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.522 3.198 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.139 3.435 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.477 4.638 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.622 4.594 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.504 6.088 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.852 5.849 -2.476 1.00 0.00 H new ATOM 241 N LYS A 15 11.229 7.106 -4.942 1.00 0.00 N ATOM 242 CA LYS A 15 12.267 8.044 -5.359 1.00 0.00 C ATOM 243 C LYS A 15 11.682 9.172 -6.206 1.00 0.00 C ATOM 244 O LYS A 15 12.228 10.273 -6.250 1.00 0.00 O ATOM 245 CB LYS A 15 13.358 7.315 -6.144 1.00 0.00 C ATOM 246 CG LYS A 15 12.871 6.715 -7.453 1.00 0.00 C ATOM 247 CD LYS A 15 13.906 6.870 -8.556 1.00 0.00 C ATOM 248 CE LYS A 15 14.700 5.590 -8.759 1.00 0.00 C ATOM 249 NZ LYS A 15 15.991 5.841 -9.457 1.00 0.00 N ATOM 0 H LYS A 15 11.398 6.139 -5.220 1.00 0.00 H new ATOM 0 HA LYS A 15 12.704 8.481 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.170 8.012 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.772 6.521 -5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.647 5.658 -7.309 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.942 7.200 -7.753 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.409 7.143 -9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.585 7.685 -8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.895 5.127 -7.792 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.106 4.883 -9.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.502 4.943 -9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.805 6.260 -10.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.569 6.496 -8.893 1.00 0.00 H new ATOM 263 N ILE A 16 10.571 8.889 -6.881 1.00 0.00 N ATOM 264 CA ILE A 16 9.920 9.883 -7.726 1.00 0.00 C ATOM 265 C ILE A 16 9.030 10.809 -6.902 1.00 0.00 C ATOM 266 O ILE A 16 8.889 11.991 -7.216 1.00 0.00 O ATOM 267 CB ILE A 16 9.071 9.218 -8.825 1.00 0.00 C ATOM 268 CG1 ILE A 16 9.884 8.140 -9.546 1.00 0.00 C ATOM 269 CG2 ILE A 16 8.571 10.261 -9.813 1.00 0.00 C ATOM 270 CD1 ILE A 16 11.079 8.685 -10.295 1.00 0.00 C ATOM 0 H ILE A 16 10.105 7.982 -6.859 1.00 0.00 H new ATOM 0 HA ILE A 16 10.713 10.467 -8.194 1.00 0.00 H new ATOM 0 HB ILE A 16 8.207 8.744 -8.359 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.226 7.406 -8.817 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.235 7.615 -10.247 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.973 9.775 -10.584 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.960 10.996 -9.288 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.422 10.761 -10.276 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.608 7.866 -10.781 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.742 9.397 -11.048 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.749 9.185 -9.596 1.00 0.00 H new ATOM 282 N LEU A 17 8.429 10.263 -5.851 1.00 0.00 N ATOM 283 CA LEU A 17 7.551 11.040 -4.984 1.00 0.00 C ATOM 284 C LEU A 17 8.358 11.874 -3.993 1.00 0.00 C ATOM 285 O LEU A 17 8.035 13.034 -3.736 1.00 0.00 O ATOM 286 CB LEU A 17 6.597 10.113 -4.227 1.00 0.00 C ATOM 287 CG LEU A 17 5.740 9.206 -5.111 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.221 8.018 -4.314 1.00 0.00 C ATOM 289 CD2 LEU A 17 4.584 9.990 -5.715 1.00 0.00 C ATOM 0 H LEU A 17 8.534 9.286 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 17 6.971 11.716 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.181 9.489 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.937 10.722 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 17 6.362 8.829 -5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.613 7.384 -4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.063 7.443 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.615 8.375 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.984 9.329 -6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.963 10.396 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.976 10.807 -6.321 1.00 0.00 H new ATOM 301 N VAL A 18 9.411 11.278 -3.443 1.00 0.00 N ATOM 302 CA VAL A 18 10.265 11.966 -2.483 1.00 0.00 C ATOM 303 C VAL A 18 10.851 13.241 -3.082 1.00 0.00 C ATOM 304 O VAL A 18 11.123 14.207 -2.367 1.00 0.00 O ATOM 305 CB VAL A 18 11.415 11.057 -2.003 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.308 10.661 -3.169 1.00 0.00 C ATOM 307 CG2 VAL A 18 12.224 11.745 -0.914 1.00 0.00 C ATOM 0 H VAL A 18 9.693 10.319 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 18 9.638 12.226 -1.630 1.00 0.00 H new ATOM 0 HB VAL A 18 10.981 10.150 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.113 10.020 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.719 10.122 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.733 11.557 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.030 11.087 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.646 12.671 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.576 11.971 -0.067 1.00 0.00 H new ATOM 317 N LYS A 19 11.043 13.238 -4.397 1.00 0.00 N ATOM 318 CA LYS A 19 11.597 14.394 -5.091 1.00 0.00 C ATOM 319 C LYS A 19 10.519 15.441 -5.352 1.00 0.00 C ATOM 320 O LYS A 19 10.797 16.639 -5.380 1.00 0.00 O ATOM 321 CB LYS A 19 12.236 13.963 -6.412 1.00 0.00 C ATOM 322 CG LYS A 19 13.204 14.985 -6.983 1.00 0.00 C ATOM 323 CD LYS A 19 13.976 14.421 -8.166 1.00 0.00 C ATOM 324 CE LYS A 19 14.487 15.525 -9.075 1.00 0.00 C ATOM 325 NZ LYS A 19 14.938 14.995 -10.392 1.00 0.00 N ATOM 0 H LYS A 19 10.823 12.448 -5.003 1.00 0.00 H new ATOM 0 HA LYS A 19 12.361 14.838 -4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.763 13.021 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.449 13.774 -7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.655 15.873 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.903 15.299 -6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.816 13.828 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.333 13.749 -8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.699 16.261 -9.231 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.314 16.042 -8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.279 15.779 -10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.708 14.311 -10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.142 14.524 -10.868 1.00 0.00 H new ATOM 339 N ASN A 20 9.287 14.980 -5.543 1.00 0.00 N ATOM 340 CA ASN A 20 8.166 15.877 -5.802 1.00 0.00 C ATOM 341 C ASN A 20 7.341 16.099 -4.538 1.00 0.00 C ATOM 342 O ASN A 20 6.131 16.319 -4.605 1.00 0.00 O ATOM 343 CB ASN A 20 7.279 15.309 -6.913 1.00 0.00 C ATOM 344 CG ASN A 20 7.629 15.873 -8.276 1.00 0.00 C ATOM 345 OD1 ASN A 20 7.287 17.012 -8.595 1.00 0.00 O ATOM 346 ND2 ASN A 20 8.313 15.076 -9.089 1.00 0.00 N ATOM 0 H ASN A 20 9.040 13.991 -5.523 1.00 0.00 H new ATOM 0 HA ASN A 20 8.568 16.838 -6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.379 14.224 -6.935 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.235 15.528 -6.689 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.576 15.401 -10.020 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.576 14.139 -8.783 1.00 0.00 H new ATOM 353 N GLY A 21 8.002 16.038 -3.386 1.00 0.00 N ATOM 354 CA GLY A 21 7.312 16.233 -2.125 1.00 0.00 C ATOM 355 C GLY A 21 6.699 14.952 -1.592 1.00 0.00 C ATOM 356 O GLY A 21 5.588 14.585 -1.971 1.00 0.00 O ATOM 0 H GLY A 21 9.002 15.857 -3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.012 16.630 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.529 16.980 -2.255 1.00 0.00 H new ATOM 360 N PHE A 22 7.426 14.274 -0.713 1.00 0.00 N ATOM 361 CA PHE A 22 6.949 13.025 -0.126 1.00 0.00 C ATOM 362 C PHE A 22 7.938 12.500 0.910 1.00 0.00 C ATOM 363 O PHE A 22 9.056 12.112 0.574 1.00 0.00 O ATOM 364 CB PHE A 22 6.728 11.977 -1.216 1.00 0.00 C ATOM 365 CG PHE A 22 5.990 10.759 -0.738 1.00 0.00 C ATOM 366 CD1 PHE A 22 6.602 9.851 0.111 1.00 0.00 C ATOM 367 CD2 PHE A 22 4.685 10.521 -1.140 1.00 0.00 C ATOM 368 CE1 PHE A 22 5.926 8.730 0.553 1.00 0.00 C ATOM 369 CE2 PHE A 22 4.003 9.402 -0.700 1.00 0.00 C ATOM 370 CZ PHE A 22 4.625 8.505 0.147 1.00 0.00 C ATOM 0 H PHE A 22 8.348 14.567 -0.390 1.00 0.00 H new ATOM 0 HA PHE A 22 6.000 13.224 0.372 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.172 12.430 -2.037 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.695 11.672 -1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.619 10.021 0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.196 11.218 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.414 8.030 1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.985 9.229 -1.018 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.095 7.629 0.491 1.00 0.00 H new ATOM 380 N ASP A 23 7.518 12.492 2.170 1.00 0.00 N ATOM 381 CA ASP A 23 8.366 12.015 3.257 1.00 0.00 C ATOM 382 C ASP A 23 8.461 10.493 3.247 1.00 0.00 C ATOM 383 O ASP A 23 7.622 9.811 2.658 1.00 0.00 O ATOM 384 CB ASP A 23 7.825 12.493 4.605 1.00 0.00 C ATOM 385 CG ASP A 23 7.480 13.970 4.599 1.00 0.00 C ATOM 386 OD1 ASP A 23 8.375 14.789 4.892 1.00 0.00 O ATOM 387 OD2 ASP A 23 6.315 14.307 4.300 1.00 0.00 O ATOM 0 H ASP A 23 6.595 12.811 2.465 1.00 0.00 H new ATOM 0 HA ASP A 23 9.365 12.425 3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.936 11.916 4.862 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.566 12.299 5.380 1.00 0.00 H new ATOM 392 N LEU A 24 9.489 9.966 3.902 1.00 0.00 N ATOM 393 CA LEU A 24 9.696 8.525 3.969 1.00 0.00 C ATOM 394 C LEU A 24 9.132 7.951 5.267 1.00 0.00 C ATOM 395 O LEU A 24 8.730 6.789 5.320 1.00 0.00 O ATOM 396 CB LEU A 24 11.187 8.192 3.857 1.00 0.00 C ATOM 397 CG LEU A 24 12.123 9.145 4.602 1.00 0.00 C ATOM 398 CD1 LEU A 24 13.353 8.403 5.101 1.00 0.00 C ATOM 399 CD2 LEU A 24 12.525 10.306 3.705 1.00 0.00 C ATOM 0 H LEU A 24 10.193 10.516 4.395 1.00 0.00 H new ATOM 0 HA LEU A 24 9.166 8.072 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.347 7.182 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.464 8.186 2.803 1.00 0.00 H new ATOM 0 HG LEU A 24 11.591 9.546 5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 24 14.007 9.097 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.047 7.606 5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.887 7.973 4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.191 10.974 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.038 9.923 2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.634 10.854 3.397 1.00 0.00 H new ATOM 411 N LYS A 25 9.103 8.775 6.310 1.00 0.00 N ATOM 412 CA LYS A 25 8.587 8.347 7.605 1.00 0.00 C ATOM 413 C LYS A 25 7.077 8.132 7.547 1.00 0.00 C ATOM 414 O LYS A 25 6.530 7.304 8.275 1.00 0.00 O ATOM 415 CB LYS A 25 8.924 9.382 8.681 1.00 0.00 C ATOM 416 CG LYS A 25 10.390 9.386 9.081 1.00 0.00 C ATOM 417 CD LYS A 25 10.913 10.800 9.281 1.00 0.00 C ATOM 418 CE LYS A 25 11.176 11.489 7.951 1.00 0.00 C ATOM 419 NZ LYS A 25 12.598 11.363 7.531 1.00 0.00 N ATOM 0 H LYS A 25 9.430 9.741 6.284 1.00 0.00 H new ATOM 0 HA LYS A 25 9.062 7.399 7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.652 10.373 8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.315 9.188 9.564 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.518 8.817 10.002 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.979 8.885 8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.190 11.379 9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.833 10.770 9.865 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.532 11.057 7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.913 12.544 8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.735 11.846 6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.212 11.798 8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.842 10.357 7.430 1.00 0.00 H new ATOM 433 N LEU A 26 6.409 8.882 6.675 1.00 0.00 N ATOM 434 CA LEU A 26 4.962 8.772 6.521 1.00 0.00 C ATOM 435 C LEU A 26 4.561 7.352 6.134 1.00 0.00 C ATOM 436 O LEU A 26 3.477 6.886 6.483 1.00 0.00 O ATOM 437 CB LEU A 26 4.462 9.761 5.467 1.00 0.00 C ATOM 438 CG LEU A 26 4.972 9.511 4.046 1.00 0.00 C ATOM 439 CD1 LEU A 26 4.161 8.415 3.367 1.00 0.00 C ATOM 440 CD2 LEU A 26 4.925 10.796 3.231 1.00 0.00 C ATOM 0 H LEU A 26 6.847 9.572 6.065 1.00 0.00 H new ATOM 0 HA LEU A 26 4.502 9.011 7.480 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.372 9.735 5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.753 10.767 5.769 1.00 0.00 H new ATOM 0 HG LEU A 26 6.008 9.178 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.541 8.254 2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.247 7.491 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.114 8.715 3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.291 10.601 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.898 11.158 3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.552 11.551 3.705 1.00 0.00 H new ATOM 452 N LEU A 27 5.443 6.673 5.408 1.00 0.00 N ATOM 453 CA LEU A 27 5.182 5.306 4.971 1.00 0.00 C ATOM 454 C LEU A 27 5.359 4.317 6.120 1.00 0.00 C ATOM 455 O LEU A 27 4.790 3.225 6.102 1.00 0.00 O ATOM 456 CB LEU A 27 6.110 4.935 3.811 1.00 0.00 C ATOM 457 CG LEU A 27 5.430 4.219 2.644 1.00 0.00 C ATOM 458 CD1 LEU A 27 4.760 2.939 3.121 1.00 0.00 C ATOM 459 CD2 LEU A 27 4.417 5.135 1.974 1.00 0.00 C ATOM 0 H LEU A 27 6.344 7.047 5.110 1.00 0.00 H new ATOM 0 HA LEU A 27 4.147 5.252 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.580 5.844 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.908 4.298 4.193 1.00 0.00 H new ATOM 0 HG LEU A 27 6.192 3.955 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.281 2.443 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.509 2.276 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.009 3.180 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.943 4.609 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.658 5.430 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.923 6.024 1.597 1.00 0.00 H new ATOM 471 N TYR A 28 6.150 4.701 7.116 1.00 0.00 N ATOM 472 CA TYR A 28 6.399 3.843 8.269 1.00 0.00 C ATOM 473 C TYR A 28 5.271 3.958 9.290 1.00 0.00 C ATOM 474 O TYR A 28 4.970 3.003 10.007 1.00 0.00 O ATOM 475 CB TYR A 28 7.735 4.207 8.921 1.00 0.00 C ATOM 476 CG TYR A 28 8.818 3.175 8.701 1.00 0.00 C ATOM 477 CD1 TYR A 28 8.813 1.975 9.401 1.00 0.00 C ATOM 478 CD2 TYR A 28 9.846 3.399 7.793 1.00 0.00 C ATOM 479 CE1 TYR A 28 9.800 1.029 9.203 1.00 0.00 C ATOM 480 CE2 TYR A 28 10.837 2.458 7.589 1.00 0.00 C ATOM 481 CZ TYR A 28 10.810 1.275 8.296 1.00 0.00 C ATOM 482 OH TYR A 28 11.795 0.335 8.096 1.00 0.00 O ATOM 0 H TYR A 28 6.630 5.601 7.148 1.00 0.00 H new ATOM 0 HA TYR A 28 6.441 2.811 7.920 1.00 0.00 H new ATOM 0 HB2 TYR A 28 8.073 5.165 8.527 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.583 4.339 9.992 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.024 1.778 10.112 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.871 4.325 7.237 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.781 0.101 9.756 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.629 2.648 6.879 1.00 0.00 H new ATOM 0 HH TYR A 28 12.429 0.663 7.424 1.00 0.00 H new ATOM 492 N LYS A 29 4.651 5.133 9.352 1.00 0.00 N ATOM 493 CA LYS A 29 3.558 5.370 10.288 1.00 0.00 C ATOM 494 C LYS A 29 2.216 4.978 9.674 1.00 0.00 C ATOM 495 O LYS A 29 1.315 4.518 10.375 1.00 0.00 O ATOM 496 CB LYS A 29 3.532 6.841 10.711 1.00 0.00 C ATOM 497 CG LYS A 29 3.495 7.040 12.218 1.00 0.00 C ATOM 498 CD LYS A 29 3.041 8.444 12.584 1.00 0.00 C ATOM 499 CE LYS A 29 2.658 8.543 14.052 1.00 0.00 C ATOM 500 NZ LYS A 29 3.481 9.553 14.774 1.00 0.00 N ATOM 0 H LYS A 29 4.887 5.934 8.766 1.00 0.00 H new ATOM 0 HA LYS A 29 3.726 4.749 11.168 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.412 7.342 10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.660 7.323 10.268 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.821 6.310 12.666 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.485 6.857 12.635 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.840 9.153 12.367 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.189 8.724 11.965 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.604 8.807 14.135 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.781 7.569 14.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.189 9.590 15.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.485 9.288 14.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.345 10.488 14.338 1.00 0.00 H new ATOM 514 N VAL A 30 2.092 5.165 8.365 1.00 0.00 N ATOM 515 CA VAL A 30 0.860 4.832 7.659 1.00 0.00 C ATOM 516 C VAL A 30 0.559 3.336 7.742 1.00 0.00 C ATOM 517 O VAL A 30 -0.584 2.914 7.572 1.00 0.00 O ATOM 518 CB VAL A 30 0.929 5.259 6.177 1.00 0.00 C ATOM 519 CG1 VAL A 30 1.959 4.433 5.421 1.00 0.00 C ATOM 520 CG2 VAL A 30 -0.441 5.146 5.523 1.00 0.00 C ATOM 0 H VAL A 30 2.829 5.545 7.771 1.00 0.00 H new ATOM 0 HA VAL A 30 0.056 5.382 8.148 1.00 0.00 H new ATOM 0 HB VAL A 30 1.242 6.303 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.989 4.753 4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.941 4.575 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.686 3.379 5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.372 5.451 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.786 4.113 5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.147 5.792 6.044 1.00 0.00 H new ATOM 530 N VAL A 31 1.592 2.538 8.007 1.00 0.00 N ATOM 531 CA VAL A 31 1.437 1.088 8.112 1.00 0.00 C ATOM 532 C VAL A 31 0.248 0.720 8.997 1.00 0.00 C ATOM 533 O VAL A 31 -0.479 -0.231 8.712 1.00 0.00 O ATOM 534 CB VAL A 31 2.708 0.425 8.678 1.00 0.00 C ATOM 535 CG1 VAL A 31 2.580 -1.091 8.649 1.00 0.00 C ATOM 536 CG2 VAL A 31 3.939 0.878 7.906 1.00 0.00 C ATOM 0 H VAL A 31 2.545 2.871 8.153 1.00 0.00 H new ATOM 0 HA VAL A 31 1.261 0.718 7.102 1.00 0.00 H new ATOM 0 HB VAL A 31 2.824 0.737 9.716 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.487 -1.541 9.053 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.725 -1.396 9.252 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.436 -1.424 7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.826 0.399 8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.834 0.600 6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.041 1.960 7.986 1.00 0.00 H new ATOM 546 N GLY A 32 0.057 1.482 10.068 1.00 0.00 N ATOM 547 CA GLY A 32 -1.047 1.220 10.974 1.00 0.00 C ATOM 548 C GLY A 32 -2.396 1.413 10.311 1.00 0.00 C ATOM 549 O GLY A 32 -3.363 0.727 10.640 1.00 0.00 O ATOM 0 H GLY A 32 0.645 2.275 10.325 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.972 0.199 11.348 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.971 1.882 11.836 1.00 0.00 H new ATOM 553 N ASN A 33 -2.460 2.353 9.374 1.00 0.00 N ATOM 554 CA ASN A 33 -3.699 2.638 8.659 1.00 0.00 C ATOM 555 C ASN A 33 -3.818 1.783 7.399 1.00 0.00 C ATOM 556 O ASN A 33 -4.917 1.551 6.898 1.00 0.00 O ATOM 557 CB ASN A 33 -3.768 4.122 8.290 1.00 0.00 C ATOM 558 CG ASN A 33 -4.557 4.932 9.300 1.00 0.00 C ATOM 559 OD1 ASN A 33 -5.435 5.715 8.937 1.00 0.00 O ATOM 560 ND2 ASN A 33 -4.247 4.748 10.578 1.00 0.00 N ATOM 0 H ASN A 33 -1.668 2.931 9.092 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.531 2.393 9.319 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.757 4.523 8.217 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.225 4.228 7.306 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.744 5.266 11.303 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.512 4.089 10.835 1.00 0.00 H new ATOM 567 N LEU A 34 -2.680 1.319 6.891 1.00 0.00 N ATOM 568 CA LEU A 34 -2.663 0.492 5.689 1.00 0.00 C ATOM 569 C LEU A 34 -3.258 -0.885 5.963 1.00 0.00 C ATOM 570 O LEU A 34 -3.993 -1.429 5.138 1.00 0.00 O ATOM 571 CB LEU A 34 -1.233 0.346 5.165 1.00 0.00 C ATOM 572 CG LEU A 34 -0.623 1.621 4.578 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.763 1.340 4.019 1.00 0.00 C ATOM 574 CD2 LEU A 34 -1.529 2.195 3.500 1.00 0.00 C ATOM 0 H LEU A 34 -1.760 1.501 7.292 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.273 0.986 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.598 -0.000 5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.221 -0.430 4.400 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.528 2.358 5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.182 2.258 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.409 0.973 4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.693 0.587 3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.081 3.101 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.655 1.463 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.502 2.433 3.931 1.00 0.00 H new ATOM 586 N ALA A 35 -2.935 -1.445 7.123 1.00 0.00 N ATOM 587 CA ALA A 35 -3.435 -2.761 7.504 1.00 0.00 C ATOM 588 C ALA A 35 -4.917 -2.707 7.866 1.00 0.00 C ATOM 589 O ALA A 35 -5.670 -3.636 7.574 1.00 0.00 O ATOM 590 CB ALA A 35 -2.627 -3.317 8.665 1.00 0.00 C ATOM 0 H ALA A 35 -2.328 -1.008 7.817 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.323 -3.424 6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.012 -4.300 8.938 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.581 -3.406 8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.708 -2.645 9.519 1.00 0.00 H new ATOM 596 N THR A 36 -5.326 -1.616 8.502 1.00 0.00 N ATOM 597 CA THR A 36 -6.718 -1.444 8.905 1.00 0.00 C ATOM 598 C THR A 36 -7.558 -0.910 7.749 1.00 0.00 C ATOM 599 O THR A 36 -8.680 -1.364 7.521 1.00 0.00 O ATOM 600 CB THR A 36 -6.813 -0.495 10.100 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.536 0.836 9.704 1.00 0.00 O ATOM 602 CG2 THR A 36 -5.859 -0.848 11.222 1.00 0.00 C ATOM 0 H THR A 36 -4.715 -0.838 8.750 1.00 0.00 H new ATOM 0 HA THR A 36 -7.108 -2.420 9.194 1.00 0.00 H new ATOM 0 HB THR A 36 -7.834 -0.594 10.469 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.288 1.366 10.490 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.978 -0.135 12.038 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.078 -1.853 11.583 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.834 -0.810 10.853 1.00 0.00 H new ATOM 610 N GLU A 37 -7.007 0.056 7.023 1.00 0.00 N ATOM 611 CA GLU A 37 -7.703 0.654 5.890 1.00 0.00 C ATOM 612 C GLU A 37 -9.003 1.317 6.339 1.00 0.00 C ATOM 613 O GLU A 37 -10.088 0.962 5.876 1.00 0.00 O ATOM 614 CB GLU A 37 -7.995 -0.406 4.827 1.00 0.00 C ATOM 615 CG GLU A 37 -6.798 -1.284 4.497 1.00 0.00 C ATOM 616 CD GLU A 37 -7.201 -2.635 3.941 1.00 0.00 C ATOM 617 OE1 GLU A 37 -8.268 -2.718 3.298 1.00 0.00 O ATOM 618 OE2 GLU A 37 -6.450 -3.610 4.149 1.00 0.00 O ATOM 0 H GLU A 37 -6.079 0.442 7.199 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.057 1.419 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.814 -1.037 5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.334 0.088 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.165 -0.771 3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.200 -1.429 5.397 1.00 0.00 H new ATOM 625 N GLN A 38 -8.886 2.277 7.252 1.00 0.00 N ATOM 626 CA GLN A 38 -10.053 2.985 7.771 1.00 0.00 C ATOM 627 C GLN A 38 -10.393 4.208 6.917 1.00 0.00 C ATOM 628 O GLN A 38 -11.537 4.374 6.496 1.00 0.00 O ATOM 629 CB GLN A 38 -9.823 3.416 9.225 1.00 0.00 C ATOM 630 CG GLN A 38 -8.760 2.605 9.951 1.00 0.00 C ATOM 631 CD GLN A 38 -8.970 2.580 11.453 1.00 0.00 C ATOM 632 OE1 GLN A 38 -9.566 1.648 11.992 1.00 0.00 O ATOM 633 NE2 GLN A 38 -8.479 3.608 12.136 1.00 0.00 N ATOM 0 H GLN A 38 -7.997 2.582 7.647 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.896 2.295 7.731 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.536 4.468 9.240 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.763 3.334 9.770 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.764 1.584 9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.777 3.023 9.732 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.992 4.359 11.647 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.589 3.646 13.149 1.00 0.00 H new ATOM 642 N PRO A 39 -9.408 5.087 6.655 1.00 0.00 N ATOM 643 CA PRO A 39 -9.632 6.293 5.859 1.00 0.00 C ATOM 644 C PRO A 39 -9.691 6.006 4.354 1.00 0.00 C ATOM 645 O PRO A 39 -10.761 5.720 3.817 1.00 0.00 O ATOM 646 CB PRO A 39 -8.436 7.177 6.218 1.00 0.00 C ATOM 647 CG PRO A 39 -7.346 6.227 6.591 1.00 0.00 C ATOM 648 CD PRO A 39 -8.011 4.980 7.121 1.00 0.00 C ATOM 0 HA PRO A 39 -10.593 6.759 6.076 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.142 7.803 5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.675 7.846 7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.724 5.995 5.727 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.693 6.666 7.345 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.531 4.079 6.737 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.957 4.932 8.209 1.00 0.00 H new ATOM 656 N LEU A 40 -8.548 6.084 3.673 1.00 0.00 N ATOM 657 CA LEU A 40 -8.496 5.832 2.236 1.00 0.00 C ATOM 658 C LEU A 40 -9.453 6.751 1.484 1.00 0.00 C ATOM 659 O LEU A 40 -10.130 7.585 2.086 1.00 0.00 O ATOM 660 CB LEU A 40 -8.838 4.371 1.942 1.00 0.00 C ATOM 661 CG LEU A 40 -7.697 3.381 2.177 1.00 0.00 C ATOM 662 CD1 LEU A 40 -7.814 2.750 3.555 1.00 0.00 C ATOM 663 CD2 LEU A 40 -7.690 2.309 1.098 1.00 0.00 C ATOM 0 H LEU A 40 -7.649 6.319 4.093 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.482 6.038 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.685 4.080 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.161 4.291 0.904 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.754 3.925 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.994 2.048 3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.769 3.528 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.763 2.220 3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.871 1.613 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.636 1.768 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.557 2.776 0.122 1.00 0.00 H new ATOM 675 N ALA A 41 -9.505 6.591 0.166 1.00 0.00 N ATOM 676 CA ALA A 41 -10.379 7.406 -0.668 1.00 0.00 C ATOM 677 C ALA A 41 -11.710 6.699 -0.921 1.00 0.00 C ATOM 678 O ALA A 41 -11.750 5.481 -1.095 1.00 0.00 O ATOM 679 CB ALA A 41 -9.696 7.734 -1.986 1.00 0.00 C ATOM 0 H ALA A 41 -8.952 5.904 -0.347 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.584 8.336 -0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.361 8.343 -2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.776 8.285 -1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.461 6.810 -2.514 1.00 0.00 H new ATOM 685 N PRO A 42 -12.821 7.455 -0.942 1.00 0.00 N ATOM 686 CA PRO A 42 -14.155 6.891 -1.172 1.00 0.00 C ATOM 687 C PRO A 42 -14.385 6.514 -2.633 1.00 0.00 C ATOM 688 O PRO A 42 -15.216 5.657 -2.937 1.00 0.00 O ATOM 689 CB PRO A 42 -15.089 8.027 -0.761 1.00 0.00 C ATOM 690 CG PRO A 42 -14.306 9.268 -1.013 1.00 0.00 C ATOM 691 CD PRO A 42 -12.868 8.917 -0.740 1.00 0.00 C ATOM 0 HA PRO A 42 -14.309 5.967 -0.615 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.010 8.014 -1.345 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.375 7.945 0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.436 9.609 -2.040 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.639 10.078 -0.364 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.193 9.437 -1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.574 9.191 0.273 1.00 0.00 H new ATOM 699 N LYS A 43 -13.651 7.160 -3.534 1.00 0.00 N ATOM 700 CA LYS A 43 -13.783 6.891 -4.961 1.00 0.00 C ATOM 701 C LYS A 43 -12.929 5.696 -5.376 1.00 0.00 C ATOM 702 O LYS A 43 -13.260 4.984 -6.323 1.00 0.00 O ATOM 703 CB LYS A 43 -13.382 8.123 -5.773 1.00 0.00 C ATOM 704 CG LYS A 43 -12.044 8.717 -5.360 1.00 0.00 C ATOM 705 CD LYS A 43 -12.225 9.903 -4.424 1.00 0.00 C ATOM 706 CE LYS A 43 -11.302 11.052 -4.794 1.00 0.00 C ATOM 707 NZ LYS A 43 -11.999 12.090 -5.601 1.00 0.00 N ATOM 0 H LYS A 43 -12.959 7.873 -3.301 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.828 6.654 -5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.340 7.854 -6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.155 8.884 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.442 7.953 -4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.496 9.033 -6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.261 10.241 -4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.027 9.592 -3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.905 11.505 -3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.451 10.667 -5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.334 12.855 -5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.356 11.664 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.796 12.477 -5.056 1.00 0.00 H new ATOM 721 N TYR A 44 -11.827 5.483 -4.663 1.00 0.00 N ATOM 722 CA TYR A 44 -10.928 4.375 -4.962 1.00 0.00 C ATOM 723 C TYR A 44 -11.242 3.163 -4.092 1.00 0.00 C ATOM 724 O TYR A 44 -11.603 2.100 -4.598 1.00 0.00 O ATOM 725 CB TYR A 44 -9.474 4.804 -4.756 1.00 0.00 C ATOM 726 CG TYR A 44 -9.096 6.048 -5.525 1.00 0.00 C ATOM 727 CD1 TYR A 44 -9.462 6.202 -6.857 1.00 0.00 C ATOM 728 CD2 TYR A 44 -8.378 7.071 -4.920 1.00 0.00 C ATOM 729 CE1 TYR A 44 -9.120 7.338 -7.564 1.00 0.00 C ATOM 730 CE2 TYR A 44 -8.033 8.212 -5.621 1.00 0.00 C ATOM 731 CZ TYR A 44 -8.405 8.340 -6.942 1.00 0.00 C ATOM 732 OH TYR A 44 -8.064 9.474 -7.643 1.00 0.00 O ATOM 0 H TYR A 44 -11.536 6.062 -3.876 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.074 4.094 -6.005 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.302 4.977 -3.694 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.817 3.988 -5.056 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.023 5.420 -7.347 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.084 6.974 -3.885 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.411 7.441 -8.599 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.475 8.999 -5.136 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.278 9.889 -7.231 1.00 0.00 H new ATOM 742 N LYS A 45 -11.102 3.329 -2.781 1.00 0.00 N ATOM 743 CA LYS A 45 -11.371 2.247 -1.841 1.00 0.00 C ATOM 744 C LYS A 45 -10.424 1.075 -2.077 1.00 0.00 C ATOM 745 O LYS A 45 -9.985 0.836 -3.202 1.00 0.00 O ATOM 746 CB LYS A 45 -12.823 1.778 -1.968 1.00 0.00 C ATOM 747 CG LYS A 45 -13.841 2.872 -1.692 1.00 0.00 C ATOM 748 CD LYS A 45 -14.271 2.877 -0.234 1.00 0.00 C ATOM 749 CE LYS A 45 -15.639 3.519 -0.059 1.00 0.00 C ATOM 750 NZ LYS A 45 -16.410 2.889 1.049 1.00 0.00 N ATOM 0 H LYS A 45 -10.804 4.202 -2.346 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.208 2.627 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.984 1.389 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.992 0.953 -1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.414 3.841 -1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.713 2.728 -2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.297 1.854 0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.535 3.417 0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.518 4.583 0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.202 3.433 -0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.336 3.354 1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.548 1.879 0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.885 2.994 1.941 1.00 0.00 H new ATOM 764 N ASP A 46 -10.111 0.347 -1.010 1.00 0.00 N ATOM 765 CA ASP A 46 -9.215 -0.799 -1.103 1.00 0.00 C ATOM 766 C ASP A 46 -10.000 -2.092 -1.300 1.00 0.00 C ATOM 767 O ASP A 46 -11.076 -2.270 -0.728 1.00 0.00 O ATOM 768 CB ASP A 46 -8.349 -0.899 0.156 1.00 0.00 C ATOM 769 CG ASP A 46 -7.407 -2.085 0.124 1.00 0.00 C ATOM 770 OD1 ASP A 46 -7.146 -2.607 -0.983 1.00 0.00 O ATOM 771 OD2 ASP A 46 -6.928 -2.495 1.202 1.00 0.00 O ATOM 0 H ASP A 46 -10.465 0.531 -0.071 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.570 -0.654 -1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.769 0.017 0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.994 -0.976 1.031 1.00 0.00 H new ATOM 776 N HIS A 47 -9.455 -2.990 -2.113 1.00 0.00 N ATOM 777 CA HIS A 47 -10.101 -4.267 -2.386 1.00 0.00 C ATOM 778 C HIS A 47 -9.070 -5.319 -2.798 1.00 0.00 C ATOM 779 O HIS A 47 -8.111 -5.011 -3.506 1.00 0.00 O ATOM 780 CB HIS A 47 -11.152 -4.107 -3.485 1.00 0.00 C ATOM 781 CG HIS A 47 -10.638 -3.411 -4.707 1.00 0.00 C ATOM 782 ND1 HIS A 47 -11.104 -2.181 -5.124 1.00 0.00 N ATOM 783 CD2 HIS A 47 -9.690 -3.776 -5.604 1.00 0.00 C ATOM 784 CE1 HIS A 47 -10.469 -1.823 -6.225 1.00 0.00 C ATOM 785 NE2 HIS A 47 -9.605 -2.771 -6.535 1.00 0.00 N ATOM 0 H HIS A 47 -8.566 -2.856 -2.595 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.592 -4.602 -1.472 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.524 -5.092 -3.767 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.999 -3.548 -3.088 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.110 -4.687 -5.589 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.630 -0.909 -6.778 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -8.975 -2.759 -7.337 1.00 0.00 H new ATOM 794 N PRO A 48 -9.255 -6.576 -2.360 1.00 0.00 N ATOM 795 CA PRO A 48 -8.333 -7.667 -2.687 1.00 0.00 C ATOM 796 C PRO A 48 -8.466 -8.126 -4.135 1.00 0.00 C ATOM 797 O PRO A 48 -9.112 -7.467 -4.949 1.00 0.00 O ATOM 798 CB PRO A 48 -8.758 -8.783 -1.732 1.00 0.00 C ATOM 799 CG PRO A 48 -10.202 -8.526 -1.473 1.00 0.00 C ATOM 800 CD PRO A 48 -10.372 -7.032 -1.509 1.00 0.00 C ATOM 0 HA PRO A 48 -7.291 -7.367 -2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.604 -9.766 -2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.179 -8.757 -0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.825 -9.008 -2.227 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.502 -8.929 -0.506 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.337 -6.748 -1.928 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.318 -6.598 -0.510 1.00 0.00 H new ATOM 904 N ASP A 55 -3.415 -12.584 -1.714 1.00 0.00 N ATOM 905 CA ASP A 55 -2.724 -11.708 -0.774 1.00 0.00 C ATOM 906 C ASP A 55 -2.549 -10.310 -1.359 1.00 0.00 C ATOM 907 O ASP A 55 -2.519 -9.320 -0.629 1.00 0.00 O ATOM 908 CB ASP A 55 -1.360 -12.295 -0.407 1.00 0.00 C ATOM 909 CG ASP A 55 -1.467 -13.703 0.148 1.00 0.00 C ATOM 910 OD1 ASP A 55 -2.026 -13.865 1.253 1.00 0.00 O ATOM 911 OD2 ASP A 55 -0.991 -14.642 -0.523 1.00 0.00 O ATOM 0 HA ASP A 55 -3.333 -11.630 0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.721 -12.303 -1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.877 -11.653 0.330 1.00 0.00 H new ATOM 916 N PHE A 56 -2.433 -10.237 -2.681 1.00 0.00 N ATOM 917 CA PHE A 56 -2.260 -8.958 -3.365 1.00 0.00 C ATOM 918 C PHE A 56 -3.468 -8.054 -3.140 1.00 0.00 C ATOM 919 O PHE A 56 -4.609 -8.511 -3.157 1.00 0.00 O ATOM 920 CB PHE A 56 -2.047 -9.182 -4.863 1.00 0.00 C ATOM 921 CG PHE A 56 -0.623 -9.490 -5.227 1.00 0.00 C ATOM 922 CD1 PHE A 56 -0.168 -10.798 -5.250 1.00 0.00 C ATOM 923 CD2 PHE A 56 0.260 -8.471 -5.548 1.00 0.00 C ATOM 924 CE1 PHE A 56 1.142 -11.085 -5.587 1.00 0.00 C ATOM 925 CE2 PHE A 56 1.571 -8.752 -5.884 1.00 0.00 C ATOM 926 CZ PHE A 56 2.012 -10.059 -5.903 1.00 0.00 C ATOM 0 H PHE A 56 -2.455 -11.047 -3.301 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.380 -8.468 -2.950 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.684 -10.003 -5.194 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.368 -8.292 -5.404 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.844 -11.603 -5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.080 -7.446 -5.535 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.485 -12.109 -5.603 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.250 -7.949 -6.131 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.036 -10.280 -6.165 1.00 0.00 H new ATOM 936 N ARG A 57 -3.203 -6.768 -2.926 1.00 0.00 N ATOM 937 CA ARG A 57 -4.265 -5.794 -2.692 1.00 0.00 C ATOM 938 C ARG A 57 -3.813 -4.392 -3.089 1.00 0.00 C ATOM 939 O ARG A 57 -2.700 -3.974 -2.769 1.00 0.00 O ATOM 940 CB ARG A 57 -4.682 -5.806 -1.220 1.00 0.00 C ATOM 941 CG ARG A 57 -5.028 -7.189 -0.693 1.00 0.00 C ATOM 942 CD ARG A 57 -5.735 -7.111 0.651 1.00 0.00 C ATOM 943 NE ARG A 57 -4.880 -6.544 1.692 1.00 0.00 N ATOM 944 CZ ARG A 57 -5.339 -6.036 2.832 1.00 0.00 C ATOM 945 NH1 ARG A 57 -6.642 -6.020 3.083 1.00 0.00 N ATOM 946 NH2 ARG A 57 -4.493 -5.542 3.726 1.00 0.00 N ATOM 0 H ARG A 57 -2.261 -6.376 -2.910 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.120 -6.072 -3.308 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.873 -5.390 -0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.544 -5.152 -1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.665 -7.705 -1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.118 -7.780 -0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.635 -6.504 0.552 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.055 -8.109 0.950 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.872 -6.538 1.535 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.298 -6.399 2.400 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.988 -5.629 3.959 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.490 -5.552 3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.845 -5.152 4.600 1.00 0.00 H new ATOM 960 N GLU A 58 -4.684 -3.671 -3.787 1.00 0.00 N ATOM 961 CA GLU A 58 -4.377 -2.315 -4.228 1.00 0.00 C ATOM 962 C GLU A 58 -5.219 -1.294 -3.470 1.00 0.00 C ATOM 963 O GLU A 58 -6.447 -1.314 -3.540 1.00 0.00 O ATOM 964 CB GLU A 58 -4.620 -2.179 -5.734 1.00 0.00 C ATOM 965 CG GLU A 58 -4.379 -0.776 -6.268 1.00 0.00 C ATOM 966 CD GLU A 58 -4.320 -0.731 -7.782 1.00 0.00 C ATOM 967 OE1 GLU A 58 -3.239 -1.010 -8.343 1.00 0.00 O ATOM 968 OE2 GLU A 58 -5.355 -0.416 -8.408 1.00 0.00 O ATOM 0 H GLU A 58 -5.609 -4.003 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.325 -2.119 -4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.969 -2.876 -6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.647 -2.471 -5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.174 -0.117 -5.919 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.444 -0.391 -5.860 1.00 0.00 H new ATOM 975 N CYS A 59 -4.549 -0.402 -2.748 1.00 0.00 N ATOM 976 CA CYS A 59 -5.235 0.629 -1.978 1.00 0.00 C ATOM 977 C CYS A 59 -4.693 2.013 -2.323 1.00 0.00 C ATOM 978 O CYS A 59 -3.501 2.174 -2.582 1.00 0.00 O ATOM 979 CB CYS A 59 -5.082 0.363 -0.479 1.00 0.00 C ATOM 980 SG CYS A 59 -3.394 0.552 0.139 1.00 0.00 S ATOM 0 H CYS A 59 -3.532 -0.372 -2.680 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.294 0.599 -2.236 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.735 1.043 0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.424 -0.649 -0.264 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.896 -0.619 0.405 1.00 0.00 H new ATOM 986 N HIS A 60 -5.575 3.005 -2.324 1.00 0.00 N ATOM 987 CA HIS A 60 -5.182 4.375 -2.636 1.00 0.00 C ATOM 988 C HIS A 60 -5.199 5.247 -1.386 1.00 0.00 C ATOM 989 O HIS A 60 -6.172 5.953 -1.124 1.00 0.00 O ATOM 990 CB HIS A 60 -6.113 4.963 -3.698 1.00 0.00 C ATOM 991 CG HIS A 60 -5.949 4.339 -5.050 1.00 0.00 C ATOM 992 ND1 HIS A 60 -6.247 4.998 -6.224 1.00 0.00 N ATOM 993 CD2 HIS A 60 -5.515 3.108 -5.412 1.00 0.00 C ATOM 994 CE1 HIS A 60 -6.005 4.199 -7.249 1.00 0.00 C ATOM 995 NE2 HIS A 60 -5.559 3.048 -6.783 1.00 0.00 N ATOM 0 H HIS A 60 -6.566 2.888 -2.113 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.164 4.355 -3.025 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.146 4.839 -3.373 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.930 6.035 -3.777 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -6.599 5.953 -6.291 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.194 2.320 -4.746 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.148 4.446 -8.291 1.00 0.00 H new ATOM 1004 N LEU A 61 -4.116 5.195 -0.618 1.00 0.00 N ATOM 1005 CA LEU A 61 -4.005 5.982 0.605 1.00 0.00 C ATOM 1006 C LEU A 61 -4.137 7.471 0.301 1.00 0.00 C ATOM 1007 O LEU A 61 -4.654 8.238 1.114 1.00 0.00 O ATOM 1008 CB LEU A 61 -2.669 5.705 1.296 1.00 0.00 C ATOM 1009 CG LEU A 61 -1.433 6.224 0.557 1.00 0.00 C ATOM 1010 CD1 LEU A 61 -0.987 7.559 1.135 1.00 0.00 C ATOM 1011 CD2 LEU A 61 -0.302 5.208 0.625 1.00 0.00 C ATOM 0 H LEU A 61 -3.302 4.615 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.816 5.691 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.693 6.152 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.565 4.629 1.433 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.697 6.373 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.107 7.913 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.792 8.287 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.742 7.435 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.568 5.595 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.039 5.025 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.623 4.275 0.163 1.00 0.00 H new ATOM 1023 N LYS A 62 -3.670 7.872 -0.876 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.737 9.267 -1.294 1.00 0.00 C ATOM 1025 C LYS A 62 -4.682 9.429 -2.484 1.00 0.00 C ATOM 1026 O LYS A 62 -5.123 8.442 -3.074 1.00 0.00 O ATOM 1027 CB LYS A 62 -2.339 9.778 -1.656 1.00 0.00 C ATOM 1028 CG LYS A 62 -1.786 10.789 -0.664 1.00 0.00 C ATOM 1029 CD LYS A 62 -0.741 11.688 -1.307 1.00 0.00 C ATOM 1030 CE LYS A 62 -1.304 13.067 -1.617 1.00 0.00 C ATOM 1031 NZ LYS A 62 -1.632 13.220 -3.062 1.00 0.00 N ATOM 0 H LYS A 62 -3.240 7.249 -1.559 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.125 9.857 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.656 8.931 -1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.372 10.233 -2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.600 11.399 -0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.344 10.265 0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.116 11.785 -0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.379 11.227 -2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.201 13.235 -1.021 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.580 13.829 -1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.343 13.970 -3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.772 13.473 -3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.011 12.324 -3.429 1.00 0.00 H new ATOM 1045 N PRO A 63 -5.009 10.680 -2.856 1.00 0.00 N ATOM 1046 CA PRO A 63 -5.908 10.955 -3.981 1.00 0.00 C ATOM 1047 C PRO A 63 -5.282 10.622 -5.333 1.00 0.00 C ATOM 1048 O PRO A 63 -5.959 10.652 -6.361 1.00 0.00 O ATOM 1049 CB PRO A 63 -6.167 12.460 -3.869 1.00 0.00 C ATOM 1050 CG PRO A 63 -4.975 12.998 -3.157 1.00 0.00 C ATOM 1051 CD PRO A 63 -4.532 11.918 -2.211 1.00 0.00 C ATOM 0 HA PRO A 63 -6.810 10.345 -3.933 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.280 12.916 -4.852 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.084 12.664 -3.316 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.181 13.249 -3.861 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.223 13.912 -2.617 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.449 11.914 -2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.968 12.048 -1.220 1.00 0.00 H new ATOM 1059 N ASP A 64 -3.990 10.306 -5.331 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.286 9.971 -6.563 1.00 0.00 C ATOM 1061 C ASP A 64 -2.126 9.016 -6.292 1.00 0.00 C ATOM 1062 O ASP A 64 -1.048 9.156 -6.869 1.00 0.00 O ATOM 1063 CB ASP A 64 -2.771 11.241 -7.241 1.00 0.00 C ATOM 1064 CG ASP A 64 -2.978 11.221 -8.743 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -3.192 10.122 -9.299 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -2.923 12.301 -9.366 1.00 0.00 O ATOM 0 H ASP A 64 -3.411 10.275 -4.492 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.991 9.472 -7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.281 12.107 -6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.709 11.359 -7.025 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.354 8.045 -5.413 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.327 7.069 -5.069 1.00 0.00 C ATOM 1073 C LEU A 65 -1.879 5.648 -5.130 1.00 0.00 C ATOM 1074 O LEU A 65 -2.961 5.370 -4.611 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.769 7.347 -3.672 1.00 0.00 C ATOM 1076 CG LEU A 65 0.118 8.590 -3.557 1.00 0.00 C ATOM 1077 CD1 LEU A 65 0.754 8.666 -2.178 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.192 8.582 -4.635 1.00 0.00 C ATOM 0 H LEU A 65 -3.241 7.914 -4.926 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.523 7.161 -5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.604 7.451 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.194 6.479 -3.349 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.508 9.471 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.381 9.556 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.027 8.718 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.365 7.779 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.812 9.473 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.813 7.693 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.721 8.574 -5.618 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.128 4.752 -5.762 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.539 3.357 -5.886 1.00 0.00 C ATOM 1092 C LEU A 66 -0.598 2.447 -5.108 1.00 0.00 C ATOM 1093 O LEU A 66 0.590 2.351 -5.424 1.00 0.00 O ATOM 1094 CB LEU A 66 -1.570 2.932 -7.357 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.874 4.051 -8.360 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.618 4.436 -9.128 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -2.977 3.626 -9.317 1.00 0.00 C ATOM 0 H LEU A 66 -0.231 4.967 -6.197 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.542 3.265 -5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.605 2.492 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.318 2.148 -7.475 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.219 4.924 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.853 5.231 -9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.143 4.785 -8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.243 3.568 -9.670 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.179 4.433 -10.021 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.662 2.738 -9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.882 3.402 -8.753 1.00 0.00 H new ATOM 1109 N LEU A 67 -1.128 1.780 -4.088 1.00 0.00 N ATOM 1110 CA LEU A 67 -0.325 0.882 -3.268 1.00 0.00 C ATOM 1111 C LEU A 67 -0.777 -0.566 -3.433 1.00 0.00 C ATOM 1112 O LEU A 67 -1.699 -1.023 -2.758 1.00 0.00 O ATOM 1113 CB LEU A 67 -0.407 1.288 -1.795 1.00 0.00 C ATOM 1114 CG LEU A 67 0.919 1.218 -1.030 1.00 0.00 C ATOM 1115 CD1 LEU A 67 0.689 1.461 0.454 1.00 0.00 C ATOM 1116 CD2 LEU A 67 1.596 -0.128 -1.254 1.00 0.00 C ATOM 0 H LEU A 67 -2.107 1.844 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 67 0.709 0.959 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.791 2.307 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.132 0.645 -1.296 1.00 0.00 H new ATOM 0 HG LEU A 67 1.578 1.999 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.640 1.408 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.249 2.448 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.013 0.702 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.536 -0.159 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.943 -0.927 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.794 -0.263 -2.317 1.00 0.00 H new ATOM 1128 N VAL A 68 -0.115 -1.285 -4.335 1.00 0.00 N ATOM 1129 CA VAL A 68 -0.439 -2.683 -4.589 1.00 0.00 C ATOM 1130 C VAL A 68 0.489 -3.606 -3.806 1.00 0.00 C ATOM 1131 O VAL A 68 1.336 -4.285 -4.384 1.00 0.00 O ATOM 1132 CB VAL A 68 -0.331 -3.016 -6.089 1.00 0.00 C ATOM 1133 CG1 VAL A 68 -0.825 -4.429 -6.362 1.00 0.00 C ATOM 1134 CG2 VAL A 68 -1.105 -2.002 -6.918 1.00 0.00 C ATOM 0 H VAL A 68 0.650 -0.921 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.467 -2.840 -4.262 1.00 0.00 H new ATOM 0 HB VAL A 68 0.718 -2.963 -6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.740 -4.645 -7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.221 -5.141 -5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.868 -4.515 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.017 -2.253 -7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.155 -2.020 -6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.698 -1.005 -6.747 1.00 0.00 H new ATOM 1144 N TYR A 69 0.326 -3.628 -2.487 1.00 0.00 N ATOM 1145 CA TYR A 69 1.162 -4.461 -1.629 1.00 0.00 C ATOM 1146 C TYR A 69 0.559 -5.848 -1.445 1.00 0.00 C ATOM 1147 O TYR A 69 -0.529 -6.139 -1.941 1.00 0.00 O ATOM 1148 CB TYR A 69 1.359 -3.794 -0.264 1.00 0.00 C ATOM 1149 CG TYR A 69 0.068 -3.493 0.466 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -0.786 -4.516 0.869 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -0.297 -2.185 0.758 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -1.965 -4.240 1.537 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -1.473 -1.903 1.426 1.00 0.00 C ATOM 1154 CZ TYR A 69 -2.303 -2.933 1.813 1.00 0.00 C ATOM 1155 OH TYR A 69 -3.475 -2.655 2.478 1.00 0.00 O ATOM 0 H TYR A 69 -0.376 -3.080 -1.990 1.00 0.00 H new ATOM 0 HA TYR A 69 2.130 -4.572 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.975 -4.442 0.360 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.912 -2.865 -0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.523 -5.542 0.656 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.350 -1.374 0.458 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.618 -5.045 1.841 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.741 -0.880 1.644 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.270 -2.246 3.345 1.00 0.00 H new ATOM 1165 N GLN A 70 1.281 -6.702 -0.724 1.00 0.00 N ATOM 1166 CA GLN A 70 0.830 -8.063 -0.463 1.00 0.00 C ATOM 1167 C GLN A 70 1.283 -8.526 0.919 1.00 0.00 C ATOM 1168 O GLN A 70 2.477 -8.531 1.222 1.00 0.00 O ATOM 1169 CB GLN A 70 1.369 -9.014 -1.535 1.00 0.00 C ATOM 1170 CG GLN A 70 0.922 -10.454 -1.351 1.00 0.00 C ATOM 1171 CD GLN A 70 2.005 -11.451 -1.719 1.00 0.00 C ATOM 1172 OE1 GLN A 70 2.220 -12.439 -1.018 1.00 0.00 O ATOM 1173 NE2 GLN A 70 2.693 -11.195 -2.826 1.00 0.00 N ATOM 0 H GLN A 70 2.184 -6.473 -0.309 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.260 -8.074 -0.493 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.045 -8.664 -2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.458 -8.977 -1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.627 -10.610 -0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.040 -10.638 -1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.481 -10.363 -3.377 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.433 -11.830 -3.125 1.00 0.00 H new ATOM 1182 N ILE A 71 0.324 -8.912 1.753 1.00 0.00 N ATOM 1183 CA ILE A 71 0.624 -9.374 3.103 1.00 0.00 C ATOM 1184 C ILE A 71 0.789 -10.892 3.134 1.00 0.00 C ATOM 1185 O ILE A 71 0.025 -11.623 2.505 1.00 0.00 O ATOM 1186 CB ILE A 71 -0.482 -8.953 4.099 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -0.414 -7.447 4.364 1.00 0.00 C ATOM 1188 CG2 ILE A 71 -0.358 -9.724 5.410 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.538 -6.604 3.113 1.00 0.00 C ATOM 0 H ILE A 71 -0.668 -8.914 1.518 1.00 0.00 H new ATOM 0 HA ILE A 71 1.561 -8.907 3.405 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.448 -9.190 3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.209 -7.173 5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.531 -7.216 4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.147 -9.410 6.093 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.452 -10.792 5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.614 -9.522 5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.481 -5.548 3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.272 -6.850 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.495 -6.806 2.632 1.00 0.00 H new ATOM 1201 N LYS A 72 1.791 -11.355 3.876 1.00 0.00 N ATOM 1202 CA LYS A 72 2.054 -12.783 3.995 1.00 0.00 C ATOM 1203 C LYS A 72 1.669 -13.287 5.381 1.00 0.00 C ATOM 1204 O LYS A 72 2.394 -13.077 6.355 1.00 0.00 O ATOM 1205 CB LYS A 72 3.530 -13.078 3.723 1.00 0.00 C ATOM 1206 CG LYS A 72 4.485 -12.194 4.511 1.00 0.00 C ATOM 1207 CD LYS A 72 5.164 -11.165 3.619 1.00 0.00 C ATOM 1208 CE LYS A 72 6.643 -11.039 3.942 1.00 0.00 C ATOM 1209 NZ LYS A 72 7.472 -11.973 3.130 1.00 0.00 N ATOM 0 H LYS A 72 2.432 -10.762 4.403 1.00 0.00 H new ATOM 0 HA LYS A 72 1.447 -13.304 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.733 -14.122 3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.727 -12.952 2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.938 -11.684 5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.241 -12.814 4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.042 -11.450 2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.679 -10.197 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.968 -10.014 3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.801 -11.241 5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.474 -11.855 3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.180 -12.953 3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.341 -11.764 2.120 1.00 0.00 H new ATOM 1223 N LYS A 73 0.519 -13.949 5.464 1.00 0.00 N ATOM 1224 CA LYS A 73 0.029 -14.481 6.730 1.00 0.00 C ATOM 1225 C LYS A 73 1.017 -15.479 7.331 1.00 0.00 C ATOM 1226 O LYS A 73 0.983 -15.751 8.530 1.00 0.00 O ATOM 1227 CB LYS A 73 -1.332 -15.153 6.533 1.00 0.00 C ATOM 1228 CG LYS A 73 -1.407 -16.027 5.291 1.00 0.00 C ATOM 1229 CD LYS A 73 -1.989 -17.396 5.605 1.00 0.00 C ATOM 1230 CE LYS A 73 -1.902 -18.326 4.405 1.00 0.00 C ATOM 1231 NZ LYS A 73 -2.222 -19.734 4.769 1.00 0.00 N ATOM 0 H LYS A 73 -0.092 -14.130 4.667 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.078 -13.646 7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.557 -15.761 7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.102 -14.384 6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.020 -15.535 4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.410 -16.143 4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.454 -17.836 6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.030 -17.289 5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.590 -17.986 3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.899 -18.280 3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.151 -20.336 3.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.550 -20.068 5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.189 -19.783 5.149 1.00 0.00 H new ATOM 1245 N GLN A 74 1.895 -16.025 6.493 1.00 0.00 N ATOM 1246 CA GLN A 74 2.888 -16.993 6.950 1.00 0.00 C ATOM 1247 C GLN A 74 3.683 -16.447 8.134 1.00 0.00 C ATOM 1248 O GLN A 74 4.147 -17.206 8.983 1.00 0.00 O ATOM 1249 CB GLN A 74 3.837 -17.364 5.808 1.00 0.00 C ATOM 1250 CG GLN A 74 4.682 -16.202 5.315 1.00 0.00 C ATOM 1251 CD GLN A 74 4.954 -16.270 3.825 1.00 0.00 C ATOM 1252 OE1 GLN A 74 4.240 -16.942 3.082 1.00 0.00 O ATOM 1253 NE2 GLN A 74 5.996 -15.575 3.381 1.00 0.00 N ATOM 0 H GLN A 74 1.939 -15.814 5.496 1.00 0.00 H new ATOM 0 HA GLN A 74 2.358 -17.888 7.276 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.496 -18.166 6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.253 -17.756 4.975 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.175 -15.265 5.546 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.630 -16.192 5.854 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.561 -15.031 4.033 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.230 -15.585 2.388 1.00 0.00 H new ATOM 1262 N GLU A 75 3.833 -15.126 8.182 1.00 0.00 N ATOM 1263 CA GLU A 75 4.569 -14.482 9.265 1.00 0.00 C ATOM 1264 C GLU A 75 4.017 -13.087 9.558 1.00 0.00 C ATOM 1265 O GLU A 75 4.693 -12.263 10.173 1.00 0.00 O ATOM 1266 CB GLU A 75 6.055 -14.389 8.909 1.00 0.00 C ATOM 1267 CG GLU A 75 6.310 -13.920 7.486 1.00 0.00 C ATOM 1268 CD GLU A 75 7.751 -14.110 7.059 1.00 0.00 C ATOM 1269 OE1 GLU A 75 8.628 -13.405 7.600 1.00 0.00 O ATOM 1270 OE2 GLU A 75 8.004 -14.963 6.182 1.00 0.00 O ATOM 0 H GLU A 75 3.456 -14.483 7.486 1.00 0.00 H new ATOM 0 HA GLU A 75 4.449 -15.091 10.161 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.544 -13.704 9.602 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.516 -15.367 9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.658 -14.467 6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.046 -12.866 7.402 1.00 0.00 H new ATOM 1277 N ASN A 76 2.785 -12.829 9.119 1.00 0.00 N ATOM 1278 CA ASN A 76 2.146 -11.533 9.340 1.00 0.00 C ATOM 1279 C ASN A 76 3.093 -10.383 9.004 1.00 0.00 C ATOM 1280 O ASN A 76 3.627 -9.726 9.898 1.00 0.00 O ATOM 1281 CB ASN A 76 1.677 -11.415 10.792 1.00 0.00 C ATOM 1282 CG ASN A 76 0.585 -12.414 11.128 1.00 0.00 C ATOM 1283 OD1 ASN A 76 0.774 -13.302 11.959 1.00 0.00 O ATOM 1284 ND2 ASN A 76 -0.568 -12.269 10.483 1.00 0.00 N ATOM 0 H ASN A 76 2.211 -13.500 8.609 1.00 0.00 H new ATOM 0 HA ASN A 76 1.284 -11.468 8.677 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.525 -11.569 11.459 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.310 -10.405 10.972 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.340 -12.909 10.669 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.680 -11.518 9.802 1.00 0.00 H new ATOM 1291 N THR A 77 3.300 -10.148 7.713 1.00 0.00 N ATOM 1292 CA THR A 77 4.187 -9.080 7.265 1.00 0.00 C ATOM 1293 C THR A 77 3.543 -8.260 6.150 1.00 0.00 C ATOM 1294 O THR A 77 2.780 -8.784 5.340 1.00 0.00 O ATOM 1295 CB THR A 77 5.518 -9.665 6.784 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.214 -10.272 7.856 1.00 0.00 O ATOM 1297 CG2 THR A 77 6.441 -8.639 6.160 1.00 0.00 C ATOM 0 H THR A 77 2.867 -10.681 6.959 1.00 0.00 H new ATOM 0 HA THR A 77 4.371 -8.418 8.111 1.00 0.00 H new ATOM 0 HB THR A 77 5.249 -10.395 6.020 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.061 -10.641 7.529 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.364 -9.125 5.843 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.953 -8.188 5.296 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.672 -7.865 6.891 1.00 0.00 H new ATOM 1305 N LEU A 78 3.863 -6.970 6.115 1.00 0.00 N ATOM 1306 CA LEU A 78 3.326 -6.074 5.097 1.00 0.00 C ATOM 1307 C LEU A 78 4.405 -5.705 4.086 1.00 0.00 C ATOM 1308 O LEU A 78 5.192 -4.785 4.309 1.00 0.00 O ATOM 1309 CB LEU A 78 2.760 -4.808 5.747 1.00 0.00 C ATOM 1310 CG LEU A 78 1.479 -4.271 5.108 1.00 0.00 C ATOM 1311 CD1 LEU A 78 0.975 -3.054 5.868 1.00 0.00 C ATOM 1312 CD2 LEU A 78 1.717 -3.927 3.645 1.00 0.00 C ATOM 0 H LEU A 78 4.492 -6.522 6.781 1.00 0.00 H new ATOM 0 HA LEU A 78 2.521 -6.591 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.564 -5.014 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.521 -4.028 5.711 1.00 0.00 H new ATOM 0 HG LEU A 78 0.716 -5.048 5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.063 -2.685 5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.766 -3.331 6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.735 -2.273 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.795 -3.546 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.495 -3.167 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.032 -4.821 3.108 1.00 0.00 H new ATOM 1324 N PHE A 79 4.440 -6.434 2.976 1.00 0.00 N ATOM 1325 CA PHE A 79 5.428 -6.190 1.931 1.00 0.00 C ATOM 1326 C PHE A 79 4.904 -5.180 0.912 1.00 0.00 C ATOM 1327 O PHE A 79 3.977 -5.470 0.156 1.00 0.00 O ATOM 1328 CB PHE A 79 5.793 -7.510 1.241 1.00 0.00 C ATOM 1329 CG PHE A 79 6.564 -7.344 -0.041 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.570 -6.396 -0.145 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.284 -8.141 -1.139 1.00 0.00 C ATOM 1332 CE1 PHE A 79 8.278 -6.244 -1.321 1.00 0.00 C ATOM 1333 CE2 PHE A 79 6.990 -7.995 -2.317 1.00 0.00 C ATOM 1334 CZ PHE A 79 7.989 -7.044 -2.409 1.00 0.00 C ATOM 0 H PHE A 79 3.796 -7.199 2.776 1.00 0.00 H new ATOM 0 HA PHE A 79 6.323 -5.770 2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.381 -8.116 1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.877 -8.063 1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.803 -5.769 0.703 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.504 -8.885 -1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.058 -5.500 -1.390 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.762 -8.623 -3.165 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.542 -6.927 -3.329 1.00 0.00 H new ATOM 1344 N LEU A 80 5.509 -3.997 0.895 1.00 0.00 N ATOM 1345 CA LEU A 80 5.108 -2.945 -0.031 1.00 0.00 C ATOM 1346 C LEU A 80 5.454 -3.332 -1.466 1.00 0.00 C ATOM 1347 O LEU A 80 6.164 -4.309 -1.700 1.00 0.00 O ATOM 1348 CB LEU A 80 5.790 -1.623 0.332 1.00 0.00 C ATOM 1349 CG LEU A 80 5.257 -0.941 1.594 1.00 0.00 C ATOM 1350 CD1 LEU A 80 3.821 -0.486 1.387 1.00 0.00 C ATOM 1351 CD2 LEU A 80 5.356 -1.874 2.789 1.00 0.00 C ATOM 0 H LEU A 80 6.280 -3.743 1.513 1.00 0.00 H new ATOM 0 HA LEU A 80 4.028 -2.817 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.857 -1.806 0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.683 -0.935 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 80 5.870 -0.063 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.458 -0.003 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.779 0.221 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.195 -1.349 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.972 -1.371 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.769 -2.772 2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.398 -2.149 2.950 1.00 0.00 H new ATOM 1363 N VAL A 81 4.940 -2.567 -2.424 1.00 0.00 N ATOM 1364 CA VAL A 81 5.192 -2.840 -3.832 1.00 0.00 C ATOM 1365 C VAL A 81 5.127 -1.561 -4.670 1.00 0.00 C ATOM 1366 O VAL A 81 6.154 -0.944 -4.951 1.00 0.00 O ATOM 1367 CB VAL A 81 4.185 -3.872 -4.378 1.00 0.00 C ATOM 1368 CG1 VAL A 81 4.378 -4.101 -5.871 1.00 0.00 C ATOM 1369 CG2 VAL A 81 4.300 -5.180 -3.609 1.00 0.00 C ATOM 0 H VAL A 81 4.348 -1.755 -2.250 1.00 0.00 H new ATOM 0 HA VAL A 81 6.199 -3.250 -3.908 1.00 0.00 H new ATOM 0 HB VAL A 81 3.181 -3.472 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.652 -4.834 -6.224 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.234 -3.162 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.386 -4.472 -6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.583 -5.899 -4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.309 -5.577 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.090 -5.002 -2.554 1.00 0.00 H new ATOM 1379 N ARG A 82 3.920 -1.170 -5.073 1.00 0.00 N ATOM 1380 CA ARG A 82 3.738 0.031 -5.880 1.00 0.00 C ATOM 1381 C ARG A 82 3.373 1.230 -5.012 1.00 0.00 C ATOM 1382 O ARG A 82 2.917 1.074 -3.878 1.00 0.00 O ATOM 1383 CB ARG A 82 2.653 -0.198 -6.935 1.00 0.00 C ATOM 1384 CG ARG A 82 3.062 -1.176 -8.026 1.00 0.00 C ATOM 1385 CD ARG A 82 2.865 -0.583 -9.413 1.00 0.00 C ATOM 1386 NE ARG A 82 1.471 -0.220 -9.659 1.00 0.00 N ATOM 1387 CZ ARG A 82 0.522 -1.098 -9.974 1.00 0.00 C ATOM 1388 NH1 ARG A 82 0.811 -2.389 -10.079 1.00 0.00 N ATOM 1389 NH2 ARG A 82 -0.720 -0.684 -10.181 1.00 0.00 N ATOM 0 H ARG A 82 3.057 -1.667 -4.854 1.00 0.00 H new ATOM 0 HA ARG A 82 4.684 0.245 -6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.753 -0.569 -6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.395 0.757 -7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.108 -1.453 -7.893 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.476 -2.090 -7.934 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.495 0.300 -9.523 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.191 -1.302 -10.165 1.00 0.00 H new ATOM 0 HE ARG A 82 1.210 0.763 -9.585 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.765 -2.713 -9.918 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.079 -3.057 -10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.948 0.307 -10.099 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.448 -1.356 -10.423 1.00 0.00 H new ATOM 1403 N LEU A 83 3.575 2.426 -5.554 1.00 0.00 N ATOM 1404 CA LEU A 83 3.266 3.658 -4.837 1.00 0.00 C ATOM 1405 C LEU A 83 3.587 4.874 -5.697 1.00 0.00 C ATOM 1406 O LEU A 83 4.747 5.134 -6.017 1.00 0.00 O ATOM 1407 CB LEU A 83 4.047 3.725 -3.523 1.00 0.00 C ATOM 1408 CG LEU A 83 3.306 4.402 -2.367 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.459 3.597 -1.087 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.809 5.824 -2.168 1.00 0.00 C ATOM 0 H LEU A 83 3.953 2.569 -6.491 1.00 0.00 H new ATOM 0 HA LEU A 83 2.200 3.661 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.311 2.711 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.981 4.259 -3.699 1.00 0.00 H new ATOM 0 HG LEU A 83 2.246 4.445 -2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.925 4.095 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.046 2.599 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.515 3.519 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.270 6.288 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.875 5.804 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.643 6.399 -3.079 1.00 0.00 H new ATOM 1422 N GLY A 84 2.551 5.616 -6.069 1.00 0.00 N ATOM 1423 CA GLY A 84 2.738 6.794 -6.894 1.00 0.00 C ATOM 1424 C GLY A 84 1.590 7.012 -7.859 1.00 0.00 C ATOM 1425 O GLY A 84 0.495 6.487 -7.660 1.00 0.00 O ATOM 0 H GLY A 84 1.583 5.422 -5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.842 7.670 -6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.667 6.697 -7.455 1.00 0.00 H new ATOM 1429 N SER A 85 1.841 7.787 -8.910 1.00 0.00 N ATOM 1430 CA SER A 85 0.820 8.070 -9.911 1.00 0.00 C ATOM 1431 C SER A 85 1.275 7.615 -11.293 1.00 0.00 C ATOM 1432 O SER A 85 2.444 7.761 -11.652 1.00 0.00 O ATOM 1433 CB SER A 85 0.496 9.565 -9.932 1.00 0.00 C ATOM 1434 OG SER A 85 -0.883 9.785 -10.169 1.00 0.00 O ATOM 0 H SER A 85 2.742 8.230 -9.090 1.00 0.00 H new ATOM 0 HA SER A 85 -0.080 7.516 -9.644 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.781 10.015 -8.981 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.084 10.057 -10.707 1.00 0.00 H new ATOM 0 HG SER A 85 -1.401 9.479 -9.395 1.00 0.00 H new ATOM 1440 N HIS A 86 0.345 7.064 -12.066 1.00 0.00 N ATOM 1441 CA HIS A 86 0.651 6.588 -13.410 1.00 0.00 C ATOM 1442 C HIS A 86 1.189 7.721 -14.280 1.00 0.00 C ATOM 1443 O HIS A 86 1.993 7.494 -15.185 1.00 0.00 O ATOM 1444 CB HIS A 86 -0.597 5.980 -14.056 1.00 0.00 C ATOM 1445 CG HIS A 86 -0.336 4.683 -14.756 1.00 0.00 C ATOM 1446 ND1 HIS A 86 0.720 4.496 -15.625 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -0.999 3.503 -14.713 1.00 0.00 C ATOM 1448 CE1 HIS A 86 0.694 3.258 -16.086 1.00 0.00 C ATOM 1449 NE2 HIS A 86 -0.339 2.635 -15.549 1.00 0.00 N ATOM 0 H HIS A 86 -0.627 6.936 -11.785 1.00 0.00 H new ATOM 0 HA HIS A 86 1.420 5.820 -13.330 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.354 5.823 -13.288 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.010 6.692 -14.770 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.882 3.285 -14.130 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.398 2.829 -16.783 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -0.604 1.666 -15.726 1.00 0.00 H new ATOM 1458 N SER A 87 0.742 8.940 -13.998 1.00 0.00 N ATOM 1459 CA SER A 87 1.179 10.108 -14.753 1.00 0.00 C ATOM 1460 C SER A 87 2.568 10.556 -14.308 1.00 0.00 C ATOM 1461 O SER A 87 3.354 11.062 -15.109 1.00 0.00 O ATOM 1462 CB SER A 87 0.182 11.256 -14.582 1.00 0.00 C ATOM 1463 OG SER A 87 -1.130 10.845 -14.921 1.00 0.00 O ATOM 0 H SER A 87 0.077 9.145 -13.252 1.00 0.00 H new ATOM 0 HA SER A 87 1.226 9.831 -15.806 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.201 11.608 -13.551 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.478 12.096 -15.211 1.00 0.00 H new ATOM 0 HG SER A 87 -1.749 11.595 -14.802 1.00 0.00 H new ATOM 1469 N GLU A 88 2.863 10.365 -13.026 1.00 0.00 N ATOM 1470 CA GLU A 88 4.157 10.749 -12.475 1.00 0.00 C ATOM 1471 C GLU A 88 5.264 9.841 -12.999 1.00 0.00 C ATOM 1472 O GLU A 88 6.318 10.312 -13.426 1.00 0.00 O ATOM 1473 CB GLU A 88 4.120 10.696 -10.946 1.00 0.00 C ATOM 1474 CG GLU A 88 5.102 11.645 -10.280 1.00 0.00 C ATOM 1475 CD GLU A 88 4.650 13.092 -10.347 1.00 0.00 C ATOM 1476 OE1 GLU A 88 4.448 13.599 -11.469 1.00 0.00 O ATOM 1477 OE2 GLU A 88 4.499 13.716 -9.275 1.00 0.00 O ATOM 0 H GLU A 88 2.224 9.947 -12.350 1.00 0.00 H new ATOM 0 HA GLU A 88 4.369 11.770 -12.792 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.112 10.933 -10.607 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.334 9.678 -10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.231 11.356 -9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.076 11.550 -10.760 1.00 0.00 H new ATOM 1484 N LEU A 89 5.017 8.535 -12.967 1.00 0.00 N ATOM 1485 CA LEU A 89 5.993 7.560 -13.440 1.00 0.00 C ATOM 1486 C LEU A 89 6.320 7.787 -14.913 1.00 0.00 C ATOM 1487 O LEU A 89 7.436 7.523 -15.359 1.00 0.00 O ATOM 1488 CB LEU A 89 5.464 6.139 -13.235 1.00 0.00 C ATOM 1489 CG LEU A 89 5.643 5.580 -11.823 1.00 0.00 C ATOM 1490 CD1 LEU A 89 4.424 5.889 -10.968 1.00 0.00 C ATOM 1491 CD2 LEU A 89 5.893 4.079 -11.871 1.00 0.00 C ATOM 0 H LEU A 89 4.149 8.128 -12.618 1.00 0.00 H new ATOM 0 HA LEU A 89 6.908 7.687 -12.861 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.403 6.123 -13.484 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.967 5.475 -13.939 1.00 0.00 H new ATOM 0 HG LEU A 89 6.511 6.060 -11.371 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.570 5.483 -9.967 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.287 6.969 -10.906 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.540 5.437 -11.418 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.018 3.698 -10.857 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.044 3.584 -12.342 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.796 3.879 -12.448 1.00 0.00 H new