USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 842 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 Single : A 9 MET CE :methyl 175:sc= -0.184 (180deg=-0.276) USER MOD Single : A 10 THR OG1 : rot 73:sc= 1.97 USER MOD Single : A 12 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.69) USER MOD Single : A 13 MET CE :methyl 164:sc= -0.156 (180deg=-0.575) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 15:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= 1.21 (180deg=0.84) USER MOD Single : A 47 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= -0.0861 (180deg=-0.875) USER MOD Single : A 68 LYS NZ :NH3+ 141:sc= 0.924 (180deg=-0.463!) USER MOD Single : A 69 TYR OH : rot -126:sc= 1.25 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.35! C(o=-1.3!,f=-6.1!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0422 K(o=-0.042,f=-1.2!) USER MOD Single : A 88 GLN : amide:sc= -2.56! X(o=-2.6!,f=-2.1) USER MOD Single : A 89 SER OG : rot -86:sc= 1.24 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.242 K(o=-0.24,f=-1.3) USER MOD Single : A 93 HIS : no HD1:sc= 0.879 K(o=0.88,f=-6.1!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0603) USER MOD Single : A 103 THR OG1 : rot 77:sc= 0.998 USER MOD Single : A 105 SER OG : rot 71:sc= 1.3 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 82:sc= 0.417 USER MOD Single : A 111 HIS : no HD1:sc= -0.455 X(o=-0.45,f=-0.17) USER MOD Single : A 114 LYS NZ :NH3+ 150:sc= 0.547 (180deg=0.22) USER MOD ----------------------------------------------------------------- ATOM 81 N LEU A 6 -1.045 10.233 -9.548 1.00 0.00 N ATOM 82 CA LEU A 6 -0.596 9.692 -8.267 1.00 0.00 C ATOM 83 C LEU A 6 -1.790 9.406 -7.359 1.00 0.00 C ATOM 84 O LEU A 6 -1.717 8.571 -6.453 1.00 0.00 O ATOM 85 CB LEU A 6 0.364 10.676 -7.586 1.00 0.00 C ATOM 86 CG LEU A 6 0.996 10.179 -6.283 1.00 0.00 C ATOM 87 CD1 LEU A 6 1.851 8.947 -6.533 1.00 0.00 C ATOM 88 CD2 LEU A 6 1.824 11.277 -5.637 1.00 0.00 C ATOM 0 HA LEU A 6 -0.070 8.755 -8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.162 10.923 -8.286 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.176 11.600 -7.379 1.00 0.00 H new ATOM 0 HG LEU A 6 0.192 9.905 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.290 8.612 -5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.231 8.152 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.646 9.193 -7.237 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.265 10.904 -4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.617 11.584 -6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.185 12.132 -5.415 1.00 0.00 H new ATOM 100 N LEU A 7 -2.897 10.093 -7.616 1.00 0.00 N ATOM 101 CA LEU A 7 -4.108 9.899 -6.833 1.00 0.00 C ATOM 102 C LEU A 7 -4.649 8.491 -7.044 1.00 0.00 C ATOM 103 O LEU A 7 -4.887 7.771 -6.082 1.00 0.00 O ATOM 104 CB LEU A 7 -5.166 10.942 -7.200 1.00 0.00 C ATOM 105 CG LEU A 7 -6.427 10.917 -6.331 1.00 0.00 C ATOM 106 CD1 LEU A 7 -6.078 11.158 -4.870 1.00 0.00 C ATOM 107 CD2 LEU A 7 -7.428 11.954 -6.813 1.00 0.00 C ATOM 0 H LEU A 7 -2.980 10.787 -8.359 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.861 10.025 -5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.716 11.933 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.456 10.793 -8.240 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.881 9.930 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.988 11.136 -4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.397 10.379 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.598 12.131 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.317 11.921 -6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.980 12.946 -6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.706 11.739 -7.845 1.00 0.00 H new ATOM 119 N GLU A 8 -4.807 8.096 -8.305 1.00 0.00 N ATOM 120 CA GLU A 8 -5.284 6.759 -8.648 1.00 0.00 C ATOM 121 C GLU A 8 -4.367 5.695 -8.050 1.00 0.00 C ATOM 122 O GLU A 8 -4.828 4.689 -7.520 1.00 0.00 O ATOM 123 CB GLU A 8 -5.326 6.604 -10.169 1.00 0.00 C ATOM 124 CG GLU A 8 -5.854 5.261 -10.632 1.00 0.00 C ATOM 125 CD GLU A 8 -5.529 4.973 -12.083 1.00 0.00 C ATOM 126 OE1 GLU A 8 -5.977 5.733 -12.963 1.00 0.00 O ATOM 127 OE2 GLU A 8 -4.813 3.979 -12.351 1.00 0.00 O ATOM 0 H GLU A 8 -4.610 8.688 -9.112 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.286 6.629 -8.238 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.950 7.393 -10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.321 6.746 -10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.432 4.474 -10.007 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.935 5.233 -10.494 1.00 0.00 H new ATOM 134 N MET A 9 -3.065 5.936 -8.145 1.00 0.00 N ATOM 135 CA MET A 9 -2.067 5.022 -7.604 1.00 0.00 C ATOM 136 C MET A 9 -2.277 4.816 -6.106 1.00 0.00 C ATOM 137 O MET A 9 -2.364 3.684 -5.632 1.00 0.00 O ATOM 138 CB MET A 9 -0.661 5.566 -7.869 1.00 0.00 C ATOM 139 CG MET A 9 -0.328 5.680 -9.348 1.00 0.00 C ATOM 140 SD MET A 9 1.183 6.615 -9.658 1.00 0.00 S ATOM 141 CE MET A 9 2.387 5.631 -8.774 1.00 0.00 C ATOM 0 H MET A 9 -2.674 6.763 -8.595 1.00 0.00 H new ATOM 0 HA MET A 9 -2.176 4.058 -8.101 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.566 6.548 -7.406 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.069 4.915 -7.389 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.223 4.680 -9.770 1.00 0.00 H new ATOM 0 HG3 MET A 9 -1.159 6.159 -9.866 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.385 6.035 -8.947 1.00 0.00 H new ATOM 0 HE2 MET A 9 2.165 5.657 -7.707 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.346 4.601 -9.128 1.00 0.00 H new ATOM 151 N THR A 10 -2.381 5.922 -5.376 1.00 0.00 N ATOM 152 CA THR A 10 -2.599 5.876 -3.937 1.00 0.00 C ATOM 153 C THR A 10 -3.946 5.228 -3.618 1.00 0.00 C ATOM 154 O THR A 10 -4.022 4.308 -2.808 1.00 0.00 O ATOM 155 CB THR A 10 -2.548 7.290 -3.320 1.00 0.00 C ATOM 156 OG1 THR A 10 -1.370 7.980 -3.769 1.00 0.00 O ATOM 157 CG2 THR A 10 -2.543 7.226 -1.797 1.00 0.00 C ATOM 0 H THR A 10 -2.317 6.864 -5.761 1.00 0.00 H new ATOM 0 HA THR A 10 -1.799 5.276 -3.502 1.00 0.00 H new ATOM 0 HB THR A 10 -3.439 7.829 -3.644 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.483 8.244 -4.706 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.507 8.237 -1.390 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.449 6.728 -1.451 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.670 6.667 -1.459 1.00 0.00 H new ATOM 165 N GLU A 11 -4.996 5.698 -4.287 1.00 0.00 N ATOM 166 CA GLU A 11 -6.348 5.170 -4.096 1.00 0.00 C ATOM 167 C GLU A 11 -6.390 3.658 -4.317 1.00 0.00 C ATOM 168 O GLU A 11 -7.010 2.922 -3.544 1.00 0.00 O ATOM 169 CB GLU A 11 -7.316 5.873 -5.052 1.00 0.00 C ATOM 170 CG GLU A 11 -7.640 7.307 -4.650 1.00 0.00 C ATOM 171 CD GLU A 11 -8.456 7.402 -3.371 1.00 0.00 C ATOM 172 OE1 GLU A 11 -7.886 7.230 -2.274 1.00 0.00 O ATOM 173 OE2 GLU A 11 -9.674 7.676 -3.460 1.00 0.00 O ATOM 0 H GLU A 11 -4.937 6.451 -4.973 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.650 5.364 -3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.887 5.874 -6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.242 5.301 -5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.710 7.860 -4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.188 7.789 -5.459 1.00 0.00 H new ATOM 180 N GLN A 12 -5.718 3.201 -5.364 1.00 0.00 N ATOM 181 CA GLN A 12 -5.635 1.779 -5.663 1.00 0.00 C ATOM 182 C GLN A 12 -4.935 1.036 -4.532 1.00 0.00 C ATOM 183 O GLN A 12 -5.413 0.002 -4.066 1.00 0.00 O ATOM 184 CB GLN A 12 -4.889 1.555 -6.981 1.00 0.00 C ATOM 185 CG GLN A 12 -4.766 0.093 -7.379 1.00 0.00 C ATOM 186 CD GLN A 12 -6.112 -0.585 -7.533 1.00 0.00 C ATOM 187 OE1 GLN A 12 -7.100 0.041 -7.906 1.00 0.00 O ATOM 188 NE2 GLN A 12 -6.156 -1.873 -7.241 1.00 0.00 N ATOM 0 H GLN A 12 -5.220 3.798 -6.024 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.648 1.389 -5.762 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.404 2.095 -7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.890 1.984 -6.899 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.218 0.021 -8.318 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.181 -0.436 -6.627 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.311 -2.356 -6.934 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.035 -2.385 -7.322 1.00 0.00 H new ATOM 197 N MET A 13 -3.811 1.579 -4.083 1.00 0.00 N ATOM 198 CA MET A 13 -3.031 0.959 -3.016 1.00 0.00 C ATOM 199 C MET A 13 -3.807 0.937 -1.701 1.00 0.00 C ATOM 200 O MET A 13 -3.693 -0.009 -0.921 1.00 0.00 O ATOM 201 CB MET A 13 -1.695 1.686 -2.838 1.00 0.00 C ATOM 202 CG MET A 13 -0.749 1.486 -4.010 1.00 0.00 C ATOM 203 SD MET A 13 0.829 2.323 -3.788 1.00 0.00 S ATOM 204 CE MET A 13 1.481 1.468 -2.356 1.00 0.00 C ATOM 0 H MET A 13 -3.417 2.449 -4.441 1.00 0.00 H new ATOM 0 HA MET A 13 -2.833 -0.073 -3.304 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.882 2.752 -2.707 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.214 1.333 -1.926 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.572 0.420 -4.150 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.224 1.852 -4.920 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.549 1.667 -2.268 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.971 1.820 -1.459 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.320 0.396 -2.468 1.00 0.00 H new ATOM 214 N ILE A 14 -4.603 1.975 -1.466 1.00 0.00 N ATOM 215 CA ILE A 14 -5.453 2.034 -0.282 1.00 0.00 C ATOM 216 C ILE A 14 -6.477 0.904 -0.312 1.00 0.00 C ATOM 217 O ILE A 14 -6.703 0.230 0.694 1.00 0.00 O ATOM 218 CB ILE A 14 -6.182 3.395 -0.171 1.00 0.00 C ATOM 219 CG1 ILE A 14 -5.164 4.528 -0.014 1.00 0.00 C ATOM 220 CG2 ILE A 14 -7.155 3.390 1.001 1.00 0.00 C ATOM 221 CD1 ILE A 14 -5.786 5.903 0.096 1.00 0.00 C ATOM 0 H ILE A 14 -4.677 2.787 -2.079 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.810 1.921 0.591 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.751 3.558 -1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.562 4.341 0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.486 4.514 -0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.657 4.356 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.896 2.604 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.609 3.206 1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.000 6.650 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.365 6.113 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.442 5.937 0.966 1.00 0.00 H new ATOM 233 N GLU A 15 -7.073 0.687 -1.478 1.00 0.00 N ATOM 234 CA GLU A 15 -8.048 -0.381 -1.651 1.00 0.00 C ATOM 235 C GLU A 15 -7.389 -1.749 -1.455 1.00 0.00 C ATOM 236 O GLU A 15 -7.976 -2.650 -0.854 1.00 0.00 O ATOM 237 CB GLU A 15 -8.692 -0.288 -3.037 1.00 0.00 C ATOM 238 CG GLU A 15 -9.769 -1.330 -3.278 1.00 0.00 C ATOM 239 CD GLU A 15 -10.445 -1.170 -4.623 1.00 0.00 C ATOM 240 OE1 GLU A 15 -9.881 -1.633 -5.635 1.00 0.00 O ATOM 241 OE2 GLU A 15 -11.548 -0.586 -4.675 1.00 0.00 O ATOM 0 H GLU A 15 -6.897 1.238 -2.319 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.826 -0.267 -0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.124 0.705 -3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.917 -0.396 -3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.328 -2.325 -3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.518 -1.262 -2.489 1.00 0.00 H new ATOM 248 N VAL A 16 -6.164 -1.887 -1.955 1.00 0.00 N ATOM 249 CA VAL A 16 -5.396 -3.118 -1.781 1.00 0.00 C ATOM 250 C VAL A 16 -5.140 -3.387 -0.298 1.00 0.00 C ATOM 251 O VAL A 16 -5.237 -4.523 0.161 1.00 0.00 O ATOM 252 CB VAL A 16 -4.048 -3.066 -2.539 1.00 0.00 C ATOM 253 CG1 VAL A 16 -3.224 -4.321 -2.284 1.00 0.00 C ATOM 254 CG2 VAL A 16 -4.281 -2.888 -4.031 1.00 0.00 C ATOM 0 H VAL A 16 -5.681 -1.161 -2.484 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.991 -3.930 -2.200 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.489 -2.209 -2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.283 -4.255 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.019 -4.411 -1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.779 -5.196 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.322 -2.854 -4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.867 -3.725 -4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.821 -1.958 -4.206 1.00 0.00 H new ATOM 264 N ALA A 17 -4.829 -2.332 0.448 1.00 0.00 N ATOM 265 CA ALA A 17 -4.591 -2.455 1.881 1.00 0.00 C ATOM 266 C ALA A 17 -5.860 -2.891 2.611 1.00 0.00 C ATOM 267 O ALA A 17 -5.822 -3.785 3.461 1.00 0.00 O ATOM 268 CB ALA A 17 -4.069 -1.144 2.447 1.00 0.00 C ATOM 0 H ALA A 17 -4.736 -1.384 0.084 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.834 -3.224 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.897 -1.253 3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.133 -0.882 1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.803 -0.356 2.276 1.00 0.00 H new ATOM 274 N GLU A 18 -6.981 -2.261 2.265 1.00 0.00 N ATOM 275 CA GLU A 18 -8.280 -2.631 2.808 1.00 0.00 C ATOM 276 C GLU A 18 -8.572 -4.107 2.548 1.00 0.00 C ATOM 277 O GLU A 18 -8.946 -4.851 3.457 1.00 0.00 O ATOM 278 CB GLU A 18 -9.365 -1.771 2.166 1.00 0.00 C ATOM 279 CG GLU A 18 -9.362 -0.320 2.619 1.00 0.00 C ATOM 280 CD GLU A 18 -9.726 -0.154 4.083 1.00 0.00 C ATOM 281 OE1 GLU A 18 -10.800 -0.649 4.497 1.00 0.00 O ATOM 282 OE2 GLU A 18 -8.963 0.505 4.815 1.00 0.00 O ATOM 0 H GLU A 18 -7.012 -1.485 1.604 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.269 -2.465 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.243 -1.802 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.338 -2.207 2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.374 0.107 2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.066 0.247 2.009 1.00 0.00 H new ATOM 289 N LYS A 19 -8.380 -4.523 1.301 1.00 0.00 N ATOM 290 CA LYS A 19 -8.622 -5.905 0.898 1.00 0.00 C ATOM 291 C LYS A 19 -7.630 -6.856 1.558 1.00 0.00 C ATOM 292 O LYS A 19 -7.976 -7.984 1.895 1.00 0.00 O ATOM 293 CB LYS A 19 -8.547 -6.043 -0.626 1.00 0.00 C ATOM 294 CG LYS A 19 -9.896 -5.951 -1.326 1.00 0.00 C ATOM 295 CD LYS A 19 -10.648 -4.680 -0.966 1.00 0.00 C ATOM 296 CE LYS A 19 -11.993 -4.620 -1.674 1.00 0.00 C ATOM 297 NZ LYS A 19 -12.801 -3.450 -1.239 1.00 0.00 N ATOM 0 H LYS A 19 -8.055 -3.918 0.546 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.625 -6.175 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.892 -5.265 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.087 -7.000 -0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.746 -5.988 -2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.502 -6.817 -1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.799 -4.636 0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.050 -3.810 -1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.834 -4.570 -2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.548 -5.537 -1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.709 -3.448 -1.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.976 -3.510 -0.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.284 -2.573 -1.451 1.00 0.00 H new ATOM 311 N GLY A 20 -6.399 -6.396 1.735 1.00 0.00 N ATOM 312 CA GLY A 20 -5.391 -7.200 2.403 1.00 0.00 C ATOM 313 C GLY A 20 -5.781 -7.534 3.830 1.00 0.00 C ATOM 314 O GLY A 20 -5.725 -8.695 4.243 1.00 0.00 O ATOM 0 H GLY A 20 -6.078 -5.478 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.236 -8.123 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.442 -6.664 2.403 1.00 0.00 H new ATOM 318 N ALA A 21 -6.193 -6.516 4.576 1.00 0.00 N ATOM 319 CA ALA A 21 -6.656 -6.709 5.944 1.00 0.00 C ATOM 320 C ALA A 21 -7.920 -7.559 5.962 1.00 0.00 C ATOM 321 O ALA A 21 -8.065 -8.459 6.786 1.00 0.00 O ATOM 322 CB ALA A 21 -6.905 -5.367 6.615 1.00 0.00 C ATOM 0 H ALA A 21 -6.216 -5.548 4.256 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.880 -7.233 6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.250 -5.529 7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.979 -4.791 6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.664 -4.817 6.058 1.00 0.00 H new ATOM 328 N ASP A 22 -8.816 -7.268 5.029 1.00 0.00 N ATOM 329 CA ASP A 22 -10.056 -8.021 4.869 1.00 0.00 C ATOM 330 C ASP A 22 -9.768 -9.501 4.650 1.00 0.00 C ATOM 331 O ASP A 22 -10.402 -10.371 5.248 1.00 0.00 O ATOM 332 CB ASP A 22 -10.837 -7.460 3.677 1.00 0.00 C ATOM 333 CG ASP A 22 -11.908 -8.404 3.170 1.00 0.00 C ATOM 334 OD1 ASP A 22 -12.954 -8.530 3.836 1.00 0.00 O ATOM 335 OD2 ASP A 22 -11.707 -9.017 2.094 1.00 0.00 O ATOM 0 H ASP A 22 -8.706 -6.505 4.362 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.648 -7.921 5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.300 -6.516 3.965 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.142 -7.240 2.867 1.00 0.00 H new ATOM 340 N ARG A 23 -8.786 -9.765 3.805 1.00 0.00 N ATOM 341 CA ARG A 23 -8.433 -11.120 3.424 1.00 0.00 C ATOM 342 C ARG A 23 -7.825 -11.885 4.593 1.00 0.00 C ATOM 343 O ARG A 23 -8.119 -13.062 4.795 1.00 0.00 O ATOM 344 CB ARG A 23 -7.457 -11.075 2.250 1.00 0.00 C ATOM 345 CG ARG A 23 -7.498 -12.305 1.361 1.00 0.00 C ATOM 346 CD ARG A 23 -8.919 -12.623 0.910 1.00 0.00 C ATOM 347 NE ARG A 23 -9.731 -11.420 0.705 1.00 0.00 N ATOM 348 CZ ARG A 23 -10.256 -11.052 -0.460 1.00 0.00 C ATOM 349 NH1 ARG A 23 -9.993 -11.740 -1.566 1.00 0.00 N ATOM 350 NH2 ARG A 23 -11.036 -9.984 -0.517 1.00 0.00 N ATOM 0 H ARG A 23 -8.212 -9.046 3.365 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.340 -11.646 3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.674 -10.195 1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.445 -10.954 2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.866 -12.145 0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.087 -13.158 1.900 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.882 -13.194 -0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.399 -13.257 1.655 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.906 -10.823 1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.384 -12.557 -1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.400 -11.451 -2.455 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.231 -9.449 0.329 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.442 -9.696 -1.407 1.00 0.00 H new ATOM 364 N TYR A 24 -6.983 -11.211 5.362 1.00 0.00 N ATOM 365 CA TYR A 24 -6.333 -11.845 6.498 1.00 0.00 C ATOM 366 C TYR A 24 -7.312 -12.006 7.656 1.00 0.00 C ATOM 367 O TYR A 24 -7.291 -13.017 8.359 1.00 0.00 O ATOM 368 CB TYR A 24 -5.115 -11.037 6.949 1.00 0.00 C ATOM 369 CG TYR A 24 -4.281 -11.748 7.991 1.00 0.00 C ATOM 370 CD1 TYR A 24 -3.274 -12.627 7.617 1.00 0.00 C ATOM 371 CD2 TYR A 24 -4.512 -11.556 9.347 1.00 0.00 C ATOM 372 CE1 TYR A 24 -2.519 -13.291 8.562 1.00 0.00 C ATOM 373 CE2 TYR A 24 -3.764 -12.220 10.298 1.00 0.00 C ATOM 374 CZ TYR A 24 -2.769 -13.088 9.901 1.00 0.00 C ATOM 375 OH TYR A 24 -2.026 -13.754 10.845 1.00 0.00 O ATOM 0 H TYR A 24 -6.735 -10.232 5.221 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.996 -12.833 6.184 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.492 -10.817 6.082 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.450 -10.081 7.351 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.078 -12.794 6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.290 -10.876 9.662 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.735 -13.967 8.253 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.957 -12.060 11.349 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.227 -14.135 10.424 1.00 0.00 H new ATOM 385 N GLN A 25 -8.170 -11.010 7.843 1.00 0.00 N ATOM 386 CA GLN A 25 -9.143 -11.029 8.929 1.00 0.00 C ATOM 387 C GLN A 25 -10.162 -12.145 8.705 1.00 0.00 C ATOM 388 O GLN A 25 -10.611 -12.786 9.655 1.00 0.00 O ATOM 389 CB GLN A 25 -9.837 -9.667 9.040 1.00 0.00 C ATOM 390 CG GLN A 25 -10.535 -9.436 10.371 1.00 0.00 C ATOM 391 CD GLN A 25 -10.995 -8.000 10.544 1.00 0.00 C ATOM 392 OE1 GLN A 25 -10.253 -7.152 11.047 1.00 0.00 O ATOM 393 NE2 GLN A 25 -12.219 -7.719 10.135 1.00 0.00 N ATOM 0 H GLN A 25 -8.212 -10.177 7.255 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.624 -11.225 9.867 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.098 -8.880 8.888 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.569 -9.577 8.237 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.395 -10.101 10.447 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.857 -9.697 11.183 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.800 -8.450 9.724 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.583 -6.771 10.230 1.00 0.00 H new ATOM 635 N LYS A 41 2.938 -14.119 -8.010 1.00 0.00 N ATOM 636 CA LYS A 41 4.140 -13.614 -8.672 1.00 0.00 C ATOM 637 C LYS A 41 3.785 -12.362 -9.478 1.00 0.00 C ATOM 638 O LYS A 41 4.290 -11.283 -9.184 1.00 0.00 O ATOM 639 CB LYS A 41 4.820 -14.651 -9.585 1.00 0.00 C ATOM 640 CG LYS A 41 6.220 -14.232 -10.019 1.00 0.00 C ATOM 641 CD LYS A 41 6.854 -15.242 -10.962 1.00 0.00 C ATOM 642 CE LYS A 41 6.261 -15.166 -12.360 1.00 0.00 C ATOM 643 NZ LYS A 41 6.583 -13.881 -13.039 1.00 0.00 N ATOM 0 HA LYS A 41 4.860 -13.378 -7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.878 -15.606 -9.062 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.203 -14.809 -10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.171 -13.260 -10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.851 -14.113 -9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.928 -15.065 -11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.715 -16.247 -10.563 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.638 -15.995 -12.958 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.179 -15.282 -12.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.355 -13.956 -14.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.024 -13.114 -12.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.596 -13.673 -12.927 1.00 0.00 H new ATOM 657 N PRO A 42 2.873 -12.465 -10.479 1.00 0.00 N ATOM 658 CA PRO A 42 2.508 -11.318 -11.321 1.00 0.00 C ATOM 659 C PRO A 42 1.924 -10.171 -10.506 1.00 0.00 C ATOM 660 O PRO A 42 2.308 -9.018 -10.680 1.00 0.00 O ATOM 661 CB PRO A 42 1.455 -11.879 -12.283 1.00 0.00 C ATOM 662 CG PRO A 42 0.955 -13.118 -11.628 1.00 0.00 C ATOM 663 CD PRO A 42 2.124 -13.675 -10.875 1.00 0.00 C ATOM 0 HA PRO A 42 3.377 -10.901 -11.829 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.648 -11.165 -12.444 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.888 -12.096 -13.259 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.125 -12.899 -10.957 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.588 -13.831 -12.366 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.806 -14.254 -10.008 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.726 -14.337 -11.497 1.00 0.00 H new ATOM 671 N ALA A 43 1.003 -10.499 -9.603 1.00 0.00 N ATOM 672 CA ALA A 43 0.385 -9.500 -8.741 1.00 0.00 C ATOM 673 C ALA A 43 1.434 -8.844 -7.851 1.00 0.00 C ATOM 674 O ALA A 43 1.364 -7.651 -7.565 1.00 0.00 O ATOM 675 CB ALA A 43 -0.707 -10.135 -7.900 1.00 0.00 C ATOM 0 H ALA A 43 0.669 -11.451 -9.451 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.065 -8.729 -9.367 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.161 -9.378 -7.261 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.468 -10.561 -8.554 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.278 -10.923 -7.281 1.00 0.00 H new ATOM 681 N VAL A 44 2.415 -9.634 -7.431 1.00 0.00 N ATOM 682 CA VAL A 44 3.512 -9.125 -6.626 1.00 0.00 C ATOM 683 C VAL A 44 4.359 -8.166 -7.455 1.00 0.00 C ATOM 684 O VAL A 44 4.695 -7.078 -7.005 1.00 0.00 O ATOM 685 CB VAL A 44 4.400 -10.270 -6.091 1.00 0.00 C ATOM 686 CG1 VAL A 44 5.493 -9.729 -5.178 1.00 0.00 C ATOM 687 CG2 VAL A 44 3.558 -11.307 -5.361 1.00 0.00 C ATOM 0 H VAL A 44 2.471 -10.632 -7.637 1.00 0.00 H new ATOM 0 HA VAL A 44 3.085 -8.599 -5.772 1.00 0.00 H new ATOM 0 HB VAL A 44 4.878 -10.753 -6.943 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.105 -10.554 -4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.119 -9.031 -5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.038 -9.214 -4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.203 -12.105 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.047 -10.835 -4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.820 -11.724 -6.046 1.00 0.00 H new ATOM 697 N GLU A 45 4.674 -8.576 -8.680 1.00 0.00 N ATOM 698 CA GLU A 45 5.458 -7.761 -9.599 1.00 0.00 C ATOM 699 C GLU A 45 4.733 -6.457 -9.944 1.00 0.00 C ATOM 700 O GLU A 45 5.350 -5.389 -9.980 1.00 0.00 O ATOM 701 CB GLU A 45 5.761 -8.566 -10.863 1.00 0.00 C ATOM 702 CG GLU A 45 6.662 -9.769 -10.606 1.00 0.00 C ATOM 703 CD GLU A 45 6.855 -10.648 -11.828 1.00 0.00 C ATOM 704 OE1 GLU A 45 5.935 -11.424 -12.163 1.00 0.00 O ATOM 705 OE2 GLU A 45 7.936 -10.580 -12.456 1.00 0.00 O ATOM 0 H GLU A 45 4.394 -9.479 -9.062 1.00 0.00 H new ATOM 0 HA GLU A 45 6.396 -7.491 -9.113 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.824 -8.909 -11.301 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.236 -7.914 -11.596 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.635 -9.418 -10.262 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.236 -10.367 -9.801 1.00 0.00 H new ATOM 712 N GLU A 46 3.429 -6.550 -10.192 1.00 0.00 N ATOM 713 CA GLU A 46 2.592 -5.388 -10.436 1.00 0.00 C ATOM 714 C GLU A 46 2.668 -4.410 -9.273 1.00 0.00 C ATOM 715 O GLU A 46 3.004 -3.240 -9.448 1.00 0.00 O ATOM 716 CB GLU A 46 1.148 -5.836 -10.615 1.00 0.00 C ATOM 717 CG GLU A 46 0.877 -6.590 -11.903 1.00 0.00 C ATOM 718 CD GLU A 46 0.822 -5.678 -13.106 1.00 0.00 C ATOM 719 OE1 GLU A 46 -0.206 -4.995 -13.287 1.00 0.00 O ATOM 720 OE2 GLU A 46 1.789 -5.658 -13.895 1.00 0.00 O ATOM 0 H GLU A 46 2.926 -7.437 -10.229 1.00 0.00 H new ATOM 0 HA GLU A 46 2.948 -4.889 -11.337 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.871 -6.470 -9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.502 -4.959 -10.580 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.656 -7.338 -12.053 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.068 -7.127 -11.814 1.00 0.00 H new ATOM 727 N ASN A 47 2.362 -4.907 -8.081 1.00 0.00 N ATOM 728 CA ASN A 47 2.348 -4.078 -6.882 1.00 0.00 C ATOM 729 C ASN A 47 3.754 -3.611 -6.522 1.00 0.00 C ATOM 730 O ASN A 47 3.924 -2.585 -5.865 1.00 0.00 O ATOM 731 CB ASN A 47 1.714 -4.836 -5.712 1.00 0.00 C ATOM 732 CG ASN A 47 0.216 -5.017 -5.893 1.00 0.00 C ATOM 733 OD1 ASN A 47 -0.453 -4.172 -6.486 1.00 0.00 O ATOM 734 ND2 ASN A 47 -0.321 -6.120 -5.394 1.00 0.00 N ATOM 0 H ASN A 47 2.119 -5.884 -7.919 1.00 0.00 H new ATOM 0 HA ASN A 47 1.744 -3.195 -7.089 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.188 -5.813 -5.614 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.904 -4.295 -4.785 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.321 -6.291 -5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.266 -6.798 -4.908 1.00 0.00 H new ATOM 741 N ASP A 48 4.754 -4.370 -6.955 1.00 0.00 N ATOM 742 CA ASP A 48 6.153 -3.978 -6.792 1.00 0.00 C ATOM 743 C ASP A 48 6.434 -2.718 -7.600 1.00 0.00 C ATOM 744 O ASP A 48 6.971 -1.742 -7.077 1.00 0.00 O ATOM 745 CB ASP A 48 7.086 -5.115 -7.232 1.00 0.00 C ATOM 746 CG ASP A 48 8.556 -4.752 -7.146 1.00 0.00 C ATOM 747 OD1 ASP A 48 9.152 -4.905 -6.060 1.00 0.00 O ATOM 748 OD2 ASP A 48 9.123 -4.331 -8.179 1.00 0.00 O ATOM 0 H ASP A 48 4.623 -5.266 -7.425 1.00 0.00 H new ATOM 0 HA ASP A 48 6.340 -3.772 -5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.898 -5.991 -6.611 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.847 -5.395 -8.258 1.00 0.00 H new ATOM 753 N GLU A 49 6.032 -2.739 -8.870 1.00 0.00 N ATOM 754 CA GLU A 49 6.162 -1.571 -9.736 1.00 0.00 C ATOM 755 C GLU A 49 5.304 -0.433 -9.208 1.00 0.00 C ATOM 756 O GLU A 49 5.724 0.726 -9.200 1.00 0.00 O ATOM 757 CB GLU A 49 5.733 -1.899 -11.172 1.00 0.00 C ATOM 758 CG GLU A 49 6.627 -2.904 -11.874 1.00 0.00 C ATOM 759 CD GLU A 49 6.206 -3.155 -13.309 1.00 0.00 C ATOM 760 OE1 GLU A 49 6.551 -2.335 -14.185 1.00 0.00 O ATOM 761 OE2 GLU A 49 5.539 -4.178 -13.570 1.00 0.00 O ATOM 0 H GLU A 49 5.614 -3.553 -9.321 1.00 0.00 H new ATOM 0 HA GLU A 49 7.210 -1.273 -9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.714 -2.285 -11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.715 -0.977 -11.753 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.655 -2.543 -11.859 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.611 -3.845 -11.324 1.00 0.00 H new ATOM 768 N LEU A 50 4.104 -0.785 -8.765 1.00 0.00 N ATOM 769 CA LEU A 50 3.150 0.181 -8.243 1.00 0.00 C ATOM 770 C LEU A 50 3.741 0.923 -7.047 1.00 0.00 C ATOM 771 O LEU A 50 3.788 2.151 -7.031 1.00 0.00 O ATOM 772 CB LEU A 50 1.863 -0.537 -7.819 1.00 0.00 C ATOM 773 CG LEU A 50 0.576 0.276 -7.961 1.00 0.00 C ATOM 774 CD1 LEU A 50 0.259 0.501 -9.431 1.00 0.00 C ATOM 775 CD2 LEU A 50 -0.577 -0.437 -7.268 1.00 0.00 C ATOM 0 H LEU A 50 3.766 -1.747 -8.758 1.00 0.00 H new ATOM 0 HA LEU A 50 2.922 0.903 -9.027 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.764 -1.447 -8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.965 -0.843 -6.778 1.00 0.00 H new ATOM 0 HG LEU A 50 0.717 1.246 -7.484 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.660 1.081 -9.520 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.079 1.045 -9.901 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.130 -0.461 -9.927 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.487 0.153 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.723 -1.418 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.347 -0.557 -6.209 1.00 0.00 H new ATOM 787 N ALA A 51 4.219 0.164 -6.065 1.00 0.00 N ATOM 788 CA ALA A 51 4.773 0.739 -4.843 1.00 0.00 C ATOM 789 C ALA A 51 6.076 1.474 -5.118 1.00 0.00 C ATOM 790 O ALA A 51 6.329 2.526 -4.543 1.00 0.00 O ATOM 791 CB ALA A 51 4.989 -0.342 -3.796 1.00 0.00 C ATOM 0 H ALA A 51 4.234 -0.856 -6.092 1.00 0.00 H new ATOM 0 HA ALA A 51 4.053 1.462 -4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.402 0.105 -2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.037 -0.818 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.683 -1.089 -4.182 1.00 0.00 H new ATOM 797 N ALA A 52 6.901 0.921 -6.000 1.00 0.00 N ATOM 798 CA ALA A 52 8.172 1.547 -6.345 1.00 0.00 C ATOM 799 C ALA A 52 7.950 2.905 -7.000 1.00 0.00 C ATOM 800 O ALA A 52 8.645 3.877 -6.694 1.00 0.00 O ATOM 801 CB ALA A 52 8.980 0.642 -7.261 1.00 0.00 C ATOM 0 H ALA A 52 6.714 0.045 -6.487 1.00 0.00 H new ATOM 0 HA ALA A 52 8.734 1.702 -5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.925 1.125 -7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.177 -0.304 -6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.418 0.455 -8.176 1.00 0.00 H new ATOM 807 N ARG A 53 6.969 2.969 -7.893 1.00 0.00 N ATOM 808 CA ARG A 53 6.634 4.202 -8.576 1.00 0.00 C ATOM 809 C ARG A 53 5.894 5.153 -7.646 1.00 0.00 C ATOM 810 O ARG A 53 6.062 6.370 -7.730 1.00 0.00 O ATOM 811 CB ARG A 53 5.799 3.892 -9.819 1.00 0.00 C ATOM 812 CG ARG A 53 6.535 4.169 -11.119 1.00 0.00 C ATOM 813 CD ARG A 53 6.756 5.659 -11.332 1.00 0.00 C ATOM 814 NE ARG A 53 7.838 5.925 -12.278 1.00 0.00 N ATOM 815 CZ ARG A 53 7.682 6.540 -13.448 1.00 0.00 C ATOM 816 NH1 ARG A 53 6.469 6.847 -13.896 1.00 0.00 N ATOM 817 NH2 ARG A 53 8.751 6.817 -14.181 1.00 0.00 N ATOM 0 H ARG A 53 6.391 2.172 -8.159 1.00 0.00 H new ATOM 0 HA ARG A 53 7.555 4.695 -8.886 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.499 2.844 -9.795 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.885 4.486 -9.793 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.497 3.656 -11.110 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.965 3.762 -11.954 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.835 6.113 -11.698 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.986 6.131 -10.377 1.00 0.00 H new ATOM 0 HE ARG A 53 8.777 5.618 -12.024 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.646 6.611 -13.342 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.361 7.318 -14.794 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.679 6.559 -13.847 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.645 7.288 -15.080 1.00 0.00 H new ATOM 831 N TRP A 54 5.084 4.598 -6.755 1.00 0.00 N ATOM 832 CA TRP A 54 4.376 5.396 -5.764 1.00 0.00 C ATOM 833 C TRP A 54 5.368 6.042 -4.809 1.00 0.00 C ATOM 834 O TRP A 54 5.259 7.227 -4.494 1.00 0.00 O ATOM 835 CB TRP A 54 3.387 4.528 -4.983 1.00 0.00 C ATOM 836 CG TRP A 54 2.570 5.298 -3.991 1.00 0.00 C ATOM 837 CD1 TRP A 54 1.456 6.038 -4.255 1.00 0.00 C ATOM 838 CD2 TRP A 54 2.798 5.405 -2.580 1.00 0.00 C ATOM 839 NE1 TRP A 54 0.978 6.600 -3.098 1.00 0.00 N ATOM 840 CE2 TRP A 54 1.787 6.231 -2.057 1.00 0.00 C ATOM 841 CE3 TRP A 54 3.764 4.888 -1.714 1.00 0.00 C ATOM 842 CZ2 TRP A 54 1.710 6.545 -0.704 1.00 0.00 C ATOM 843 CZ3 TRP A 54 3.686 5.202 -0.371 1.00 0.00 C ATOM 844 CH2 TRP A 54 2.669 6.026 0.122 1.00 0.00 C ATOM 0 H TRP A 54 4.901 3.596 -6.698 1.00 0.00 H new ATOM 0 HA TRP A 54 3.819 6.177 -6.282 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.718 4.032 -5.686 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.937 3.746 -4.460 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.014 6.164 -5.232 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.154 7.196 -3.025 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.556 4.255 -2.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.922 7.176 -0.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.423 4.804 0.310 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.640 6.257 1.177 1.00 0.00 H new ATOM 855 N ALA A 55 6.342 5.255 -4.368 1.00 0.00 N ATOM 856 CA ALA A 55 7.397 5.747 -3.497 1.00 0.00 C ATOM 857 C ALA A 55 8.138 6.899 -4.158 1.00 0.00 C ATOM 858 O ALA A 55 8.389 7.922 -3.532 1.00 0.00 O ATOM 859 CB ALA A 55 8.364 4.625 -3.151 1.00 0.00 C ATOM 0 H ALA A 55 6.421 4.266 -4.603 1.00 0.00 H new ATOM 0 HA ALA A 55 6.943 6.111 -2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.148 5.009 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.826 3.826 -2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.811 4.235 -4.065 1.00 0.00 H new ATOM 865 N GLU A 56 8.462 6.728 -5.436 1.00 0.00 N ATOM 866 CA GLU A 56 9.125 7.733 -6.214 1.00 0.00 C ATOM 867 C GLU A 56 8.275 9.000 -6.300 1.00 0.00 C ATOM 868 O GLU A 56 8.789 10.118 -6.225 1.00 0.00 O ATOM 869 CB GLU A 56 9.383 7.162 -7.600 1.00 0.00 C ATOM 870 CG GLU A 56 10.446 7.907 -8.335 1.00 0.00 C ATOM 871 CD GLU A 56 10.568 7.489 -9.784 1.00 0.00 C ATOM 872 OE1 GLU A 56 9.851 8.061 -10.626 1.00 0.00 O ATOM 873 OE2 GLU A 56 11.385 6.594 -10.084 1.00 0.00 O ATOM 0 H GLU A 56 8.263 5.872 -5.954 1.00 0.00 H new ATOM 0 HA GLU A 56 10.068 8.008 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.673 6.115 -7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.459 7.188 -8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.232 8.975 -8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.402 7.751 -7.836 1.00 0.00 H new ATOM 880 N GLY A 57 6.969 8.810 -6.447 1.00 0.00 N ATOM 881 CA GLY A 57 6.046 9.926 -6.488 1.00 0.00 C ATOM 882 C GLY A 57 5.951 10.638 -5.151 1.00 0.00 C ATOM 883 O GLY A 57 5.952 11.867 -5.091 1.00 0.00 O ATOM 0 H GLY A 57 6.531 7.894 -6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.367 10.633 -7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.058 9.568 -6.779 1.00 0.00 H new ATOM 887 N ALA A 58 5.880 9.864 -4.079 1.00 0.00 N ATOM 888 CA ALA A 58 5.831 10.419 -2.733 1.00 0.00 C ATOM 889 C ALA A 58 7.129 11.147 -2.404 1.00 0.00 C ATOM 890 O ALA A 58 7.112 12.263 -1.887 1.00 0.00 O ATOM 891 CB ALA A 58 5.562 9.320 -1.716 1.00 0.00 C ATOM 0 H ALA A 58 5.855 8.845 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 58 5.015 11.140 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.528 9.751 -0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.607 8.844 -1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.358 8.577 -1.765 1.00 0.00 H new ATOM 897 N LEU A 59 8.255 10.514 -2.725 1.00 0.00 N ATOM 898 CA LEU A 59 9.567 11.103 -2.528 1.00 0.00 C ATOM 899 C LEU A 59 9.697 12.407 -3.309 1.00 0.00 C ATOM 900 O LEU A 59 10.375 13.343 -2.880 1.00 0.00 O ATOM 901 CB LEU A 59 10.639 10.108 -2.972 1.00 0.00 C ATOM 902 CG LEU A 59 10.893 8.936 -2.014 1.00 0.00 C ATOM 903 CD1 LEU A 59 11.892 7.962 -2.617 1.00 0.00 C ATOM 904 CD2 LEU A 59 11.399 9.439 -0.671 1.00 0.00 C ATOM 0 H LEU A 59 8.278 9.578 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 59 9.699 11.331 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.355 9.705 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.575 10.648 -3.113 1.00 0.00 H new ATOM 0 HG LEU A 59 9.948 8.416 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.060 7.138 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.499 7.572 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.835 8.477 -2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.573 8.592 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.332 9.984 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.656 10.102 -0.227 1.00 0.00 H new ATOM 916 N GLU A 60 9.046 12.450 -4.459 1.00 0.00 N ATOM 917 CA GLU A 60 8.983 13.656 -5.272 1.00 0.00 C ATOM 918 C GLU A 60 8.258 14.764 -4.517 1.00 0.00 C ATOM 919 O GLU A 60 8.794 15.859 -4.330 1.00 0.00 O ATOM 920 CB GLU A 60 8.251 13.350 -6.581 1.00 0.00 C ATOM 921 CG GLU A 60 8.194 14.509 -7.559 1.00 0.00 C ATOM 922 CD GLU A 60 9.559 14.897 -8.072 1.00 0.00 C ATOM 923 OE1 GLU A 60 10.379 13.993 -8.328 1.00 0.00 O ATOM 924 OE2 GLU A 60 9.827 16.107 -8.208 1.00 0.00 O ATOM 0 H GLU A 60 8.547 11.654 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 60 9.996 13.991 -5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.740 12.506 -7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.233 13.038 -6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.556 14.240 -8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.734 15.369 -7.072 1.00 0.00 H new ATOM 931 N LEU A 61 7.052 14.460 -4.056 1.00 0.00 N ATOM 932 CA LEU A 61 6.218 15.441 -3.376 1.00 0.00 C ATOM 933 C LEU A 61 6.858 15.940 -2.086 1.00 0.00 C ATOM 934 O LEU A 61 6.813 17.133 -1.798 1.00 0.00 O ATOM 935 CB LEU A 61 4.830 14.868 -3.078 1.00 0.00 C ATOM 936 CG LEU A 61 3.763 15.123 -4.154 1.00 0.00 C ATOM 937 CD1 LEU A 61 3.531 16.615 -4.336 1.00 0.00 C ATOM 938 CD2 LEU A 61 4.155 14.484 -5.478 1.00 0.00 C ATOM 0 H LEU A 61 6.628 13.536 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 61 6.117 16.290 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.924 13.792 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.478 15.287 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 61 2.834 14.664 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.772 16.774 -5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.193 17.048 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.461 17.093 -4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.381 14.681 -6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.101 14.905 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.264 13.408 -5.344 1.00 0.00 H new ATOM 950 N ILE A 62 7.465 15.038 -1.320 1.00 0.00 N ATOM 951 CA ILE A 62 8.009 15.399 -0.011 1.00 0.00 C ATOM 952 C ILE A 62 9.210 16.336 -0.119 1.00 0.00 C ATOM 953 O ILE A 62 9.461 17.126 0.789 1.00 0.00 O ATOM 954 CB ILE A 62 8.410 14.166 0.830 1.00 0.00 C ATOM 955 CG1 ILE A 62 9.535 13.385 0.150 1.00 0.00 C ATOM 956 CG2 ILE A 62 7.199 13.273 1.076 1.00 0.00 C ATOM 957 CD1 ILE A 62 10.055 12.232 0.977 1.00 0.00 C ATOM 0 H ILE A 62 7.593 14.060 -1.578 1.00 0.00 H new ATOM 0 HA ILE A 62 7.197 15.919 0.497 1.00 0.00 H new ATOM 0 HB ILE A 62 8.781 14.514 1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.175 13.003 -0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.358 14.065 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.498 12.409 1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.435 13.835 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.796 12.935 0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.851 11.724 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.446 12.609 1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.244 11.530 1.174 1.00 0.00 H new ATOM 969 N LYS A 63 9.971 16.253 -1.206 1.00 0.00 N ATOM 970 CA LYS A 63 11.109 17.149 -1.359 1.00 0.00 C ATOM 971 C LYS A 63 10.658 18.499 -1.894 1.00 0.00 C ATOM 972 O LYS A 63 11.298 19.520 -1.641 1.00 0.00 O ATOM 973 CB LYS A 63 12.211 16.546 -2.240 1.00 0.00 C ATOM 974 CG LYS A 63 11.796 16.210 -3.664 1.00 0.00 C ATOM 975 CD LYS A 63 13.000 15.745 -4.469 1.00 0.00 C ATOM 976 CE LYS A 63 12.611 15.065 -5.774 1.00 0.00 C ATOM 977 NZ LYS A 63 12.161 16.035 -6.805 1.00 0.00 N ATOM 0 H LYS A 63 9.827 15.595 -1.972 1.00 0.00 H new ATOM 0 HA LYS A 63 11.543 17.294 -0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.046 17.246 -2.278 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.578 15.638 -1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.034 15.431 -3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.350 17.085 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.638 16.601 -4.687 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.589 15.054 -3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.463 14.502 -6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.814 14.346 -5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.434 15.691 -7.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.127 16.136 -6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.607 16.958 -6.631 1.00 0.00 H new ATOM 991 N VAL A 64 9.544 18.503 -2.615 1.00 0.00 N ATOM 992 CA VAL A 64 8.994 19.740 -3.148 1.00 0.00 C ATOM 993 C VAL A 64 8.198 20.496 -2.075 1.00 0.00 C ATOM 994 O VAL A 64 8.378 21.698 -1.892 1.00 0.00 O ATOM 995 CB VAL A 64 8.101 19.475 -4.378 1.00 0.00 C ATOM 996 CG1 VAL A 64 7.565 20.778 -4.941 1.00 0.00 C ATOM 997 CG2 VAL A 64 8.877 18.716 -5.448 1.00 0.00 C ATOM 0 H VAL A 64 9.006 17.667 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 64 9.835 20.359 -3.461 1.00 0.00 H new ATOM 0 HB VAL A 64 7.257 18.863 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.938 20.569 -5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.974 21.288 -4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.397 21.415 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.232 18.538 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.740 19.305 -5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.215 17.762 -5.044 1.00 0.00 H new ATOM 1007 N ARG A 65 7.327 19.789 -1.362 1.00 0.00 N ATOM 1008 CA ARG A 65 6.541 20.403 -0.294 1.00 0.00 C ATOM 1009 C ARG A 65 6.484 19.485 0.923 1.00 0.00 C ATOM 1010 O ARG A 65 6.839 18.313 0.845 1.00 0.00 O ATOM 1011 CB ARG A 65 5.113 20.724 -0.762 1.00 0.00 C ATOM 1012 CG ARG A 65 4.288 19.498 -1.133 1.00 0.00 C ATOM 1013 CD ARG A 65 2.795 19.811 -1.152 1.00 0.00 C ATOM 1014 NE ARG A 65 2.461 20.907 -2.060 1.00 0.00 N ATOM 1015 CZ ARG A 65 1.272 21.515 -2.097 1.00 0.00 C ATOM 1016 NH1 ARG A 65 0.295 21.139 -1.277 1.00 0.00 N ATOM 1017 NH2 ARG A 65 1.063 22.502 -2.957 1.00 0.00 N ATOM 0 H ARG A 65 7.147 18.795 -1.502 1.00 0.00 H new ATOM 0 HA ARG A 65 7.033 21.336 -0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.597 21.270 0.028 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.166 21.388 -1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.597 19.134 -2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.484 18.698 -0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.244 18.918 -1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.469 20.067 -0.144 1.00 0.00 H new ATOM 0 HE ARG A 65 3.182 21.228 -2.706 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.450 20.381 -0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.610 21.609 -1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.809 22.795 -3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.156 22.968 -2.988 1.00 0.00 H new ATOM 1031 N ARG A 66 6.035 20.026 2.045 1.00 0.00 N ATOM 1032 CA ARG A 66 5.862 19.239 3.257 1.00 0.00 C ATOM 1033 C ARG A 66 4.440 18.694 3.329 1.00 0.00 C ATOM 1034 O ARG A 66 3.478 19.456 3.428 1.00 0.00 O ATOM 1035 CB ARG A 66 6.189 20.080 4.497 1.00 0.00 C ATOM 1036 CG ARG A 66 7.672 20.391 4.628 1.00 0.00 C ATOM 1037 CD ARG A 66 7.983 21.220 5.864 1.00 0.00 C ATOM 1038 NE ARG A 66 9.426 21.304 6.098 1.00 0.00 N ATOM 1039 CZ ARG A 66 9.997 22.020 7.069 1.00 0.00 C ATOM 1040 NH1 ARG A 66 9.260 22.794 7.861 1.00 0.00 N ATOM 1041 NH2 ARG A 66 11.314 21.979 7.233 1.00 0.00 N ATOM 0 H ARG A 66 5.783 21.010 2.142 1.00 0.00 H new ATOM 0 HA ARG A 66 6.553 18.397 3.230 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.630 21.014 4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.854 19.549 5.388 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.234 19.458 4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.008 20.927 3.740 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.573 22.223 5.745 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.496 20.778 6.733 1.00 0.00 H new ATOM 0 HE ARG A 66 10.038 20.778 5.475 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.250 22.844 7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.705 23.338 8.600 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.887 21.401 6.618 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.753 22.525 7.974 1.00 0.00 H new ATOM 1055 N PRO A 67 4.295 17.358 3.274 1.00 0.00 N ATOM 1056 CA PRO A 67 2.990 16.687 3.255 1.00 0.00 C ATOM 1057 C PRO A 67 2.310 16.684 4.619 1.00 0.00 C ATOM 1058 O PRO A 67 1.293 16.012 4.813 1.00 0.00 O ATOM 1059 CB PRO A 67 3.317 15.251 2.819 1.00 0.00 C ATOM 1060 CG PRO A 67 4.768 15.251 2.462 1.00 0.00 C ATOM 1061 CD PRO A 67 5.390 16.386 3.217 1.00 0.00 C ATOM 0 HA PRO A 67 2.292 17.197 2.591 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.112 14.543 3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.705 14.953 1.968 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.234 14.303 2.732 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.904 15.379 1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 67 5.717 16.083 4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.264 16.787 2.703 1.00 0.00 H new ATOM 1069 N LYS A 68 2.908 17.411 5.563 1.00 0.00 N ATOM 1070 CA LYS A 68 2.322 17.660 6.882 1.00 0.00 C ATOM 1071 C LYS A 68 2.288 16.404 7.752 1.00 0.00 C ATOM 1072 O LYS A 68 3.041 16.292 8.720 1.00 0.00 O ATOM 1073 CB LYS A 68 0.910 18.242 6.738 1.00 0.00 C ATOM 1074 CG LYS A 68 0.863 19.503 5.891 1.00 0.00 C ATOM 1075 CD LYS A 68 -0.556 19.849 5.479 1.00 0.00 C ATOM 1076 CE LYS A 68 -0.579 21.023 4.512 1.00 0.00 C ATOM 1077 NZ LYS A 68 0.293 20.785 3.330 1.00 0.00 N ATOM 0 H LYS A 68 3.821 17.848 5.433 1.00 0.00 H new ATOM 0 HA LYS A 68 2.963 18.384 7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.258 17.490 6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.513 18.463 7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.292 20.334 6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.478 19.367 5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.024 18.982 5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.145 20.092 6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.602 21.199 4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.252 21.925 5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.170 21.156 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.204 21.268 3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.456 19.764 3.219 1.00 0.00 H new ATOM 1091 N TYR A 69 1.431 15.461 7.392 1.00 0.00 N ATOM 1092 CA TYR A 69 1.165 14.298 8.231 1.00 0.00 C ATOM 1093 C TYR A 69 2.280 13.262 8.127 1.00 0.00 C ATOM 1094 O TYR A 69 2.885 12.876 9.129 1.00 0.00 O ATOM 1095 CB TYR A 69 -0.156 13.640 7.821 1.00 0.00 C ATOM 1096 CG TYR A 69 -1.224 14.607 7.356 1.00 0.00 C ATOM 1097 CD1 TYR A 69 -1.977 15.345 8.261 1.00 0.00 C ATOM 1098 CD2 TYR A 69 -1.484 14.774 6.000 1.00 0.00 C ATOM 1099 CE1 TYR A 69 -2.958 16.220 7.827 1.00 0.00 C ATOM 1100 CE2 TYR A 69 -2.461 15.645 5.559 1.00 0.00 C ATOM 1101 CZ TYR A 69 -3.195 16.365 6.476 1.00 0.00 C ATOM 1102 OH TYR A 69 -4.171 17.231 6.036 1.00 0.00 O ATOM 0 H TYR A 69 0.904 15.477 6.519 1.00 0.00 H new ATOM 0 HA TYR A 69 1.108 14.650 9.261 1.00 0.00 H new ATOM 0 HB2 TYR A 69 0.042 12.926 7.022 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.542 13.072 8.668 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.794 15.234 9.320 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.911 14.212 5.278 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.535 16.786 8.543 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.648 15.761 4.502 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.787 16.755 5.441 1.00 0.00 H new ATOM 1112 N VAL A 70 2.547 12.815 6.909 1.00 0.00 N ATOM 1113 CA VAL A 70 3.462 11.705 6.687 1.00 0.00 C ATOM 1114 C VAL A 70 4.923 12.161 6.717 1.00 0.00 C ATOM 1115 O VAL A 70 5.245 13.289 6.343 1.00 0.00 O ATOM 1116 CB VAL A 70 3.154 10.998 5.343 1.00 0.00 C ATOM 1117 CG1 VAL A 70 3.351 11.942 4.166 1.00 0.00 C ATOM 1118 CG2 VAL A 70 3.999 9.743 5.178 1.00 0.00 C ATOM 0 H VAL A 70 2.142 13.205 6.058 1.00 0.00 H new ATOM 0 HA VAL A 70 3.313 10.997 7.502 1.00 0.00 H new ATOM 0 HB VAL A 70 2.106 10.699 5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.127 11.417 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.683 12.797 4.270 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.384 12.289 4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.762 9.267 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.055 10.011 5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.786 9.051 5.993 1.00 0.00 H new ATOM 1128 N HIS A 71 5.797 11.279 7.188 1.00 0.00 N ATOM 1129 CA HIS A 71 7.229 11.538 7.192 1.00 0.00 C ATOM 1130 C HIS A 71 7.908 10.596 6.205 1.00 0.00 C ATOM 1131 O HIS A 71 7.344 9.559 5.857 1.00 0.00 O ATOM 1132 CB HIS A 71 7.806 11.353 8.600 1.00 0.00 C ATOM 1133 CG HIS A 71 7.332 12.372 9.589 1.00 0.00 C ATOM 1134 ND1 HIS A 71 6.393 12.105 10.564 1.00 0.00 N ATOM 1135 CD2 HIS A 71 7.681 13.667 9.754 1.00 0.00 C ATOM 1136 CE1 HIS A 71 6.184 13.194 11.280 1.00 0.00 C ATOM 1137 NE2 HIS A 71 6.952 14.156 10.809 1.00 0.00 N ATOM 0 H HIS A 71 5.535 10.372 7.574 1.00 0.00 H new ATOM 0 HA HIS A 71 7.411 12.569 6.890 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.542 10.359 8.962 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.894 11.394 8.544 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.401 14.216 9.165 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.500 13.282 12.111 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.997 15.109 11.170 1.00 0.00 H new ATOM 1146 N LYS A 72 9.113 10.937 5.757 1.00 0.00 N ATOM 1147 CA LYS A 72 9.764 10.167 4.697 1.00 0.00 C ATOM 1148 C LYS A 72 10.138 8.764 5.171 1.00 0.00 C ATOM 1149 O LYS A 72 10.167 7.824 4.379 1.00 0.00 O ATOM 1150 CB LYS A 72 10.995 10.901 4.140 1.00 0.00 C ATOM 1151 CG LYS A 72 12.221 10.907 5.043 1.00 0.00 C ATOM 1152 CD LYS A 72 13.408 11.546 4.332 1.00 0.00 C ATOM 1153 CE LYS A 72 14.705 11.389 5.112 1.00 0.00 C ATOM 1154 NZ LYS A 72 14.689 12.133 6.399 1.00 0.00 N ATOM 0 H LYS A 72 9.654 11.729 6.104 1.00 0.00 H new ATOM 0 HA LYS A 72 9.041 10.065 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.269 10.444 3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.716 11.933 3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.001 11.455 5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.470 9.886 5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.523 11.095 3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.207 12.606 4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.881 10.332 5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.537 11.742 4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.594 11.994 6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.549 13.146 6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.913 11.780 6.994 1.00 0.00 H new ATOM 1168 N GLU A 73 10.401 8.624 6.465 1.00 0.00 N ATOM 1169 CA GLU A 73 10.702 7.322 7.048 1.00 0.00 C ATOM 1170 C GLU A 73 9.491 6.399 6.940 1.00 0.00 C ATOM 1171 O GLU A 73 9.624 5.201 6.676 1.00 0.00 O ATOM 1172 CB GLU A 73 11.106 7.479 8.512 1.00 0.00 C ATOM 1173 CG GLU A 73 11.476 6.164 9.180 1.00 0.00 C ATOM 1174 CD GLU A 73 11.888 6.339 10.623 1.00 0.00 C ATOM 1175 OE1 GLU A 73 12.986 6.879 10.873 1.00 0.00 O ATOM 1176 OE2 GLU A 73 11.118 5.937 11.519 1.00 0.00 O ATOM 0 H GLU A 73 10.412 9.397 7.131 1.00 0.00 H new ATOM 0 HA GLU A 73 11.532 6.880 6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.953 8.162 8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.284 7.938 9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.626 5.483 9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.292 5.697 8.628 1.00 0.00 H new ATOM 1183 N GLN A 74 8.309 6.971 7.139 1.00 0.00 N ATOM 1184 CA GLN A 74 7.064 6.224 7.054 1.00 0.00 C ATOM 1185 C GLN A 74 6.868 5.668 5.649 1.00 0.00 C ATOM 1186 O GLN A 74 6.506 4.506 5.475 1.00 0.00 O ATOM 1187 CB GLN A 74 5.887 7.129 7.436 1.00 0.00 C ATOM 1188 CG GLN A 74 5.856 7.531 8.907 1.00 0.00 C ATOM 1189 CD GLN A 74 5.580 6.363 9.843 1.00 0.00 C ATOM 1190 OE1 GLN A 74 5.959 5.224 9.577 1.00 0.00 O ATOM 1191 NE2 GLN A 74 4.909 6.641 10.952 1.00 0.00 N ATOM 0 H GLN A 74 8.189 7.959 7.362 1.00 0.00 H new ATOM 0 HA GLN A 74 7.110 5.387 7.750 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.925 8.031 6.826 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.956 6.617 7.192 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.811 7.984 9.173 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.091 8.293 9.052 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.610 7.598 11.141 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.692 5.898 11.616 1.00 0.00 H new ATOM 1200 N ILE A 75 7.145 6.500 4.653 1.00 0.00 N ATOM 1201 CA ILE A 75 6.989 6.113 3.255 1.00 0.00 C ATOM 1202 C ILE A 75 7.909 4.942 2.910 1.00 0.00 C ATOM 1203 O ILE A 75 7.505 4.001 2.222 1.00 0.00 O ATOM 1204 CB ILE A 75 7.287 7.300 2.312 1.00 0.00 C ATOM 1205 CG1 ILE A 75 6.400 8.490 2.677 1.00 0.00 C ATOM 1206 CG2 ILE A 75 7.080 6.902 0.852 1.00 0.00 C ATOM 1207 CD1 ILE A 75 6.685 9.738 1.872 1.00 0.00 C ATOM 0 H ILE A 75 7.481 7.454 4.788 1.00 0.00 H new ATOM 0 HA ILE A 75 5.953 5.806 3.115 1.00 0.00 H new ATOM 0 HB ILE A 75 8.331 7.588 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.356 8.209 2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.529 8.715 3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.296 7.755 0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.749 6.079 0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.047 6.588 0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.015 10.537 2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.718 10.046 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.527 9.532 0.813 1.00 0.00 H new ATOM 1219 N GLU A 76 9.136 4.990 3.413 1.00 0.00 N ATOM 1220 CA GLU A 76 10.109 3.939 3.150 1.00 0.00 C ATOM 1221 C GLU A 76 9.711 2.638 3.835 1.00 0.00 C ATOM 1222 O GLU A 76 9.897 1.552 3.280 1.00 0.00 O ATOM 1223 CB GLU A 76 11.505 4.383 3.592 1.00 0.00 C ATOM 1224 CG GLU A 76 12.143 5.388 2.646 1.00 0.00 C ATOM 1225 CD GLU A 76 12.594 4.754 1.347 1.00 0.00 C ATOM 1226 OE1 GLU A 76 11.836 3.945 0.771 1.00 0.00 O ATOM 1227 OE2 GLU A 76 13.725 5.039 0.908 1.00 0.00 O ATOM 0 H GLU A 76 9.480 5.746 4.005 1.00 0.00 H new ATOM 0 HA GLU A 76 10.129 3.755 2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.441 4.821 4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.150 3.508 3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.429 6.183 2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.999 5.852 3.137 1.00 0.00 H new ATOM 1234 N ALA A 77 9.148 2.754 5.033 1.00 0.00 N ATOM 1235 CA ALA A 77 8.676 1.588 5.766 1.00 0.00 C ATOM 1236 C ALA A 77 7.477 0.962 5.063 1.00 0.00 C ATOM 1237 O ALA A 77 7.422 -0.252 4.873 1.00 0.00 O ATOM 1238 CB ALA A 77 8.324 1.970 7.194 1.00 0.00 C ATOM 0 H ALA A 77 9.008 3.642 5.515 1.00 0.00 H new ATOM 0 HA ALA A 77 9.476 0.848 5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.973 1.089 7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.207 2.370 7.692 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.539 2.726 7.185 1.00 0.00 H new ATOM 1244 N VAL A 78 6.532 1.805 4.657 1.00 0.00 N ATOM 1245 CA VAL A 78 5.331 1.343 3.970 1.00 0.00 C ATOM 1246 C VAL A 78 5.679 0.652 2.653 1.00 0.00 C ATOM 1247 O VAL A 78 5.031 -0.319 2.274 1.00 0.00 O ATOM 1248 CB VAL A 78 4.346 2.506 3.712 1.00 0.00 C ATOM 1249 CG1 VAL A 78 3.186 2.070 2.828 1.00 0.00 C ATOM 1250 CG2 VAL A 78 3.824 3.051 5.033 1.00 0.00 C ATOM 0 H VAL A 78 6.576 2.815 4.793 1.00 0.00 H new ATOM 0 HA VAL A 78 4.845 0.619 4.625 1.00 0.00 H new ATOM 0 HB VAL A 78 4.887 3.293 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.514 2.913 2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.570 1.724 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.642 1.260 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.131 3.870 4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.308 2.259 5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.659 3.416 5.632 1.00 0.00 H new ATOM 1260 N LYS A 79 6.709 1.146 1.973 1.00 0.00 N ATOM 1261 CA LYS A 79 7.153 0.555 0.713 1.00 0.00 C ATOM 1262 C LYS A 79 7.399 -0.945 0.859 1.00 0.00 C ATOM 1263 O LYS A 79 6.842 -1.755 0.116 1.00 0.00 O ATOM 1264 CB LYS A 79 8.432 1.241 0.229 1.00 0.00 C ATOM 1265 CG LYS A 79 9.084 0.546 -0.955 1.00 0.00 C ATOM 1266 CD LYS A 79 10.378 1.227 -1.360 1.00 0.00 C ATOM 1267 CE LYS A 79 11.177 0.368 -2.323 1.00 0.00 C ATOM 1268 NZ LYS A 79 12.414 1.050 -2.779 1.00 0.00 N ATOM 0 H LYS A 79 7.253 1.955 2.273 1.00 0.00 H new ATOM 0 HA LYS A 79 6.361 0.703 -0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.201 2.270 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.145 1.284 1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.284 -0.495 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.395 0.542 -1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.156 2.187 -1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.976 1.434 -0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.439 -0.573 -1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.560 0.121 -3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.931 0.430 -3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.164 1.935 -3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.016 1.263 -1.958 1.00 0.00 H new ATOM 1282 N ASP A 80 8.216 -1.312 1.838 1.00 0.00 N ATOM 1283 CA ASP A 80 8.577 -2.712 2.036 1.00 0.00 C ATOM 1284 C ASP A 80 7.420 -3.480 2.665 1.00 0.00 C ATOM 1285 O ASP A 80 7.152 -4.626 2.305 1.00 0.00 O ATOM 1286 CB ASP A 80 9.831 -2.828 2.905 1.00 0.00 C ATOM 1287 CG ASP A 80 10.402 -4.235 2.909 1.00 0.00 C ATOM 1288 OD1 ASP A 80 11.017 -4.630 1.894 1.00 0.00 O ATOM 1289 OD2 ASP A 80 10.266 -4.945 3.926 1.00 0.00 O ATOM 0 H ASP A 80 8.639 -0.666 2.504 1.00 0.00 H new ATOM 0 HA ASP A 80 8.792 -3.150 1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.588 -2.132 2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.591 -2.533 3.926 1.00 0.00 H new ATOM 1294 N ASN A 81 6.715 -2.823 3.582 1.00 0.00 N ATOM 1295 CA ASN A 81 5.573 -3.435 4.259 1.00 0.00 C ATOM 1296 C ASN A 81 4.450 -3.743 3.274 1.00 0.00 C ATOM 1297 O ASN A 81 3.709 -4.706 3.454 1.00 0.00 O ATOM 1298 CB ASN A 81 5.037 -2.534 5.379 1.00 0.00 C ATOM 1299 CG ASN A 81 5.917 -2.537 6.615 1.00 0.00 C ATOM 1300 OD1 ASN A 81 6.584 -3.524 6.914 1.00 0.00 O ATOM 1301 ND2 ASN A 81 5.918 -1.432 7.349 1.00 0.00 N ATOM 0 H ASN A 81 6.914 -1.866 3.874 1.00 0.00 H new ATOM 0 HA ASN A 81 5.926 -4.368 4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.948 -1.514 5.006 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.034 -2.862 5.653 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.486 -1.382 8.195 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.350 -0.632 7.068 1.00 0.00 H new ATOM 1308 N PHE A 82 4.327 -2.923 2.237 1.00 0.00 N ATOM 1309 CA PHE A 82 3.303 -3.124 1.221 1.00 0.00 C ATOM 1310 C PHE A 82 3.555 -4.427 0.470 1.00 0.00 C ATOM 1311 O PHE A 82 2.676 -5.286 0.393 1.00 0.00 O ATOM 1312 CB PHE A 82 3.269 -1.944 0.244 1.00 0.00 C ATOM 1313 CG PHE A 82 2.166 -2.035 -0.773 1.00 0.00 C ATOM 1314 CD1 PHE A 82 0.855 -1.756 -0.417 1.00 0.00 C ATOM 1315 CD2 PHE A 82 2.438 -2.401 -2.083 1.00 0.00 C ATOM 1316 CE1 PHE A 82 -0.162 -1.839 -1.348 1.00 0.00 C ATOM 1317 CE2 PHE A 82 1.424 -2.485 -3.017 1.00 0.00 C ATOM 1318 CZ PHE A 82 0.123 -2.205 -2.651 1.00 0.00 C ATOM 0 H PHE A 82 4.925 -2.112 2.078 1.00 0.00 H new ATOM 0 HA PHE A 82 2.334 -3.185 1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 82 3.155 -1.019 0.809 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.226 -1.885 -0.275 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.627 -1.471 0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.454 -2.623 -2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.179 -1.618 -1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.649 -2.770 -4.034 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.671 -2.272 -3.380 1.00 0.00 H new ATOM 1328 N LEU A 83 4.760 -4.572 -0.074 1.00 0.00 N ATOM 1329 CA LEU A 83 5.147 -5.796 -0.763 1.00 0.00 C ATOM 1330 C LEU A 83 5.032 -6.992 0.167 1.00 0.00 C ATOM 1331 O LEU A 83 4.546 -8.053 -0.228 1.00 0.00 O ATOM 1332 CB LEU A 83 6.577 -5.680 -1.286 1.00 0.00 C ATOM 1333 CG LEU A 83 6.733 -4.960 -2.627 1.00 0.00 C ATOM 1334 CD1 LEU A 83 5.971 -5.697 -3.716 1.00 0.00 C ATOM 1335 CD2 LEU A 83 6.270 -3.514 -2.539 1.00 0.00 C ATOM 0 H LEU A 83 5.485 -3.855 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 83 4.471 -5.942 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.176 -5.157 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.992 -6.683 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 83 7.793 -4.954 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.092 -5.172 -4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.360 -6.711 -3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.913 -5.737 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.395 -3.032 -3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.219 -3.485 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.864 -2.986 -1.793 1.00 0.00 H new ATOM 1347 N GLU A 84 5.478 -6.806 1.403 1.00 0.00 N ATOM 1348 CA GLU A 84 5.380 -7.838 2.421 1.00 0.00 C ATOM 1349 C GLU A 84 3.924 -8.266 2.597 1.00 0.00 C ATOM 1350 O GLU A 84 3.605 -9.451 2.534 1.00 0.00 O ATOM 1351 CB GLU A 84 5.938 -7.312 3.746 1.00 0.00 C ATOM 1352 CG GLU A 84 6.185 -8.393 4.786 1.00 0.00 C ATOM 1353 CD GLU A 84 7.303 -9.330 4.391 1.00 0.00 C ATOM 1354 OE1 GLU A 84 8.483 -8.935 4.512 1.00 0.00 O ATOM 1355 OE2 GLU A 84 7.015 -10.469 3.972 1.00 0.00 O ATOM 0 H GLU A 84 5.914 -5.942 1.724 1.00 0.00 H new ATOM 0 HA GLU A 84 5.963 -8.704 2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.874 -6.788 3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.242 -6.580 4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.427 -7.926 5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.270 -8.966 4.934 1.00 0.00 H new ATOM 1362 N LEU A 85 3.047 -7.283 2.795 1.00 0.00 N ATOM 1363 CA LEU A 85 1.621 -7.525 2.983 1.00 0.00 C ATOM 1364 C LEU A 85 1.045 -8.293 1.794 1.00 0.00 C ATOM 1365 O LEU A 85 0.355 -9.297 1.968 1.00 0.00 O ATOM 1366 CB LEU A 85 0.896 -6.183 3.169 1.00 0.00 C ATOM 1367 CG LEU A 85 -0.535 -6.250 3.721 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -0.928 -4.908 4.317 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -1.531 -6.643 2.637 1.00 0.00 C ATOM 0 H LEU A 85 3.307 -6.297 2.829 1.00 0.00 H new ATOM 0 HA LEU A 85 1.475 -8.134 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.492 -5.563 3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.867 -5.674 2.205 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.558 -7.015 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.945 -4.966 4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.244 -4.655 5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.878 -4.139 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.534 -6.681 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.504 -5.906 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.268 -7.623 2.239 1.00 0.00 H new ATOM 1381 N VAL A 86 1.352 -7.817 0.593 1.00 0.00 N ATOM 1382 CA VAL A 86 0.873 -8.446 -0.635 1.00 0.00 C ATOM 1383 C VAL A 86 1.314 -9.906 -0.718 1.00 0.00 C ATOM 1384 O VAL A 86 0.516 -10.785 -1.033 1.00 0.00 O ATOM 1385 CB VAL A 86 1.372 -7.689 -1.888 1.00 0.00 C ATOM 1386 CG1 VAL A 86 0.990 -8.429 -3.163 1.00 0.00 C ATOM 1387 CG2 VAL A 86 0.820 -6.273 -1.910 1.00 0.00 C ATOM 0 H VAL A 86 1.934 -6.993 0.442 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.216 -8.405 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 86 2.460 -7.638 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.353 -7.874 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.438 -9.423 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.095 -8.520 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.182 -5.755 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.269 -6.307 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.151 -5.739 -1.019 1.00 0.00 H new ATOM 1397 N LEU A 87 2.580 -10.159 -0.418 1.00 0.00 N ATOM 1398 CA LEU A 87 3.130 -11.508 -0.497 1.00 0.00 C ATOM 1399 C LEU A 87 2.546 -12.413 0.587 1.00 0.00 C ATOM 1400 O LEU A 87 2.151 -13.551 0.320 1.00 0.00 O ATOM 1401 CB LEU A 87 4.654 -11.460 -0.365 1.00 0.00 C ATOM 1402 CG LEU A 87 5.366 -12.809 -0.500 1.00 0.00 C ATOM 1403 CD1 LEU A 87 5.193 -13.375 -1.903 1.00 0.00 C ATOM 1404 CD2 LEU A 87 6.839 -12.667 -0.155 1.00 0.00 C ATOM 0 H LEU A 87 3.247 -9.449 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 87 2.860 -11.924 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.047 -10.783 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.905 -11.031 0.605 1.00 0.00 H new ATOM 0 HG LEU A 87 4.913 -13.508 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.707 -14.333 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.132 -13.516 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.615 -12.681 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.331 -13.634 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.304 -11.951 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.940 -12.314 0.871 1.00 0.00 H new ATOM 1416 N GLN A 88 2.473 -11.905 1.809 1.00 0.00 N ATOM 1417 CA GLN A 88 2.070 -12.726 2.942 1.00 0.00 C ATOM 1418 C GLN A 88 0.554 -12.834 3.058 1.00 0.00 C ATOM 1419 O GLN A 88 0.046 -13.475 3.979 1.00 0.00 O ATOM 1420 CB GLN A 88 2.669 -12.189 4.242 1.00 0.00 C ATOM 1421 CG GLN A 88 2.089 -10.863 4.706 1.00 0.00 C ATOM 1422 CD GLN A 88 2.911 -10.247 5.815 1.00 0.00 C ATOM 1423 OE1 GLN A 88 3.560 -10.956 6.579 1.00 0.00 O ATOM 1424 NE2 GLN A 88 2.889 -8.928 5.912 1.00 0.00 N ATOM 0 H GLN A 88 2.686 -10.935 2.041 1.00 0.00 H new ATOM 0 HA GLN A 88 2.457 -13.729 2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.521 -12.930 5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.745 -12.074 4.110 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.040 -10.173 3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.067 -11.015 5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.336 -8.378 5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.425 -8.461 6.643 1.00 0.00 H new ATOM 1433 N SER A 89 -0.167 -12.237 2.120 1.00 0.00 N ATOM 1434 CA SER A 89 -1.617 -12.357 2.096 1.00 0.00 C ATOM 1435 C SER A 89 -2.005 -13.796 1.763 1.00 0.00 C ATOM 1436 O SER A 89 -3.055 -14.287 2.182 1.00 0.00 O ATOM 1437 CB SER A 89 -2.220 -11.394 1.069 1.00 0.00 C ATOM 1438 OG SER A 89 -1.826 -11.741 -0.245 1.00 0.00 O ATOM 0 H SER A 89 0.226 -11.668 1.370 1.00 0.00 H new ATOM 0 HA SER A 89 -2.010 -12.097 3.079 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.307 -11.412 1.143 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.902 -10.375 1.290 1.00 0.00 H new ATOM 0 HG SER A 89 -0.960 -11.328 -0.447 1.00 0.00 H new ATOM 1444 N TYR A 90 -1.126 -14.471 1.025 1.00 0.00 N ATOM 1445 CA TYR A 90 -1.355 -15.853 0.629 1.00 0.00 C ATOM 1446 C TYR A 90 -0.784 -16.828 1.655 1.00 0.00 C ATOM 1447 O TYR A 90 -1.450 -17.786 2.045 1.00 0.00 O ATOM 1448 CB TYR A 90 -0.716 -16.136 -0.734 1.00 0.00 C ATOM 1449 CG TYR A 90 -1.315 -15.353 -1.884 1.00 0.00 C ATOM 1450 CD1 TYR A 90 -2.510 -15.752 -2.474 1.00 0.00 C ATOM 1451 CD2 TYR A 90 -0.676 -14.227 -2.392 1.00 0.00 C ATOM 1452 CE1 TYR A 90 -3.048 -15.055 -3.539 1.00 0.00 C ATOM 1453 CE2 TYR A 90 -1.211 -13.521 -3.454 1.00 0.00 C ATOM 1454 CZ TYR A 90 -2.396 -13.940 -4.024 1.00 0.00 C ATOM 1455 OH TYR A 90 -2.922 -13.247 -5.094 1.00 0.00 O ATOM 0 H TYR A 90 -0.246 -14.079 0.690 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.434 -15.996 0.567 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.349 -15.913 -0.675 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.807 -17.201 -0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.026 -16.621 -2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.253 -13.899 -1.950 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.974 -15.381 -3.989 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.704 -12.647 -3.835 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.341 -12.488 -5.309 1.00 0.00 H new ATOM 1465 N VAL A 91 0.450 -16.579 2.088 1.00 0.00 N ATOM 1466 CA VAL A 91 1.174 -17.538 2.922 1.00 0.00 C ATOM 1467 C VAL A 91 0.963 -17.308 4.419 1.00 0.00 C ATOM 1468 O VAL A 91 0.946 -18.262 5.189 1.00 0.00 O ATOM 1469 CB VAL A 91 2.689 -17.532 2.613 1.00 0.00 C ATOM 1470 CG1 VAL A 91 2.945 -18.021 1.199 1.00 0.00 C ATOM 1471 CG2 VAL A 91 3.288 -16.145 2.805 1.00 0.00 C ATOM 0 H VAL A 91 0.968 -15.726 1.877 1.00 0.00 H new ATOM 0 HA VAL A 91 0.756 -18.513 2.671 1.00 0.00 H new ATOM 0 HB VAL A 91 3.174 -18.210 3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.016 -18.010 0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.566 -19.037 1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.437 -17.367 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.354 -16.175 2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.795 -15.440 2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.144 -15.826 3.837 1.00 0.00 H new ATOM 1481 N HIS A 92 0.801 -16.043 4.819 1.00 0.00 N ATOM 1482 CA HIS A 92 0.635 -15.669 6.233 1.00 0.00 C ATOM 1483 C HIS A 92 1.840 -16.116 7.064 1.00 0.00 C ATOM 1484 O HIS A 92 1.850 -17.218 7.610 1.00 0.00 O ATOM 1485 CB HIS A 92 -0.645 -16.275 6.831 1.00 0.00 C ATOM 1486 CG HIS A 92 -1.868 -16.110 5.978 1.00 0.00 C ATOM 1487 ND1 HIS A 92 -2.768 -17.126 5.756 1.00 0.00 N ATOM 1488 CD2 HIS A 92 -2.328 -15.045 5.281 1.00 0.00 C ATOM 1489 CE1 HIS A 92 -3.729 -16.695 4.963 1.00 0.00 C ATOM 1490 NE2 HIS A 92 -3.487 -15.434 4.656 1.00 0.00 N ATOM 0 H HIS A 92 0.781 -15.250 4.177 1.00 0.00 H new ATOM 0 HA HIS A 92 0.557 -14.582 6.266 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.481 -17.338 7.007 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -0.830 -15.816 7.802 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -1.868 -14.069 5.226 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -4.573 -17.276 4.622 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.065 -14.847 4.055 1.00 0.00 H new ATOM 1499 N HIS A 93 2.863 -15.270 7.155 1.00 0.00 N ATOM 1500 CA HIS A 93 4.061 -15.635 7.910 1.00 0.00 C ATOM 1501 C HIS A 93 4.216 -14.768 9.156 1.00 0.00 C ATOM 1502 O HIS A 93 5.232 -14.833 9.843 1.00 0.00 O ATOM 1503 CB HIS A 93 5.332 -15.554 7.040 1.00 0.00 C ATOM 1504 CG HIS A 93 5.787 -14.163 6.683 1.00 0.00 C ATOM 1505 ND1 HIS A 93 6.515 -13.357 7.538 1.00 0.00 N ATOM 1506 CD2 HIS A 93 5.639 -13.453 5.542 1.00 0.00 C ATOM 1507 CE1 HIS A 93 6.791 -12.217 6.935 1.00 0.00 C ATOM 1508 NE2 HIS A 93 6.273 -12.249 5.724 1.00 0.00 N ATOM 0 H HIS A 93 2.889 -14.345 6.725 1.00 0.00 H new ATOM 0 HA HIS A 93 3.934 -16.671 8.224 1.00 0.00 H new ATOM 0 HB2 HIS A 93 6.143 -16.059 7.565 1.00 0.00 H new ATOM 0 HB3 HIS A 93 5.156 -16.108 6.118 1.00 0.00 H new ATOM 0 HD2 HIS A 93 5.118 -13.774 4.652 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.348 -11.396 7.362 1.00 0.00 H new ATOM 0 HE2 HIS A 93 6.333 -11.501 5.034 1.00 0.00 H new ATOM 1517 N ILE A 94 3.207 -13.970 9.450 1.00 0.00 N ATOM 1518 CA ILE A 94 3.241 -13.103 10.619 1.00 0.00 C ATOM 1519 C ILE A 94 2.164 -13.498 11.615 1.00 0.00 C ATOM 1520 O ILE A 94 1.442 -14.472 11.403 1.00 0.00 O ATOM 1521 CB ILE A 94 3.079 -11.610 10.242 1.00 0.00 C ATOM 1522 CG1 ILE A 94 2.028 -11.411 9.139 1.00 0.00 C ATOM 1523 CG2 ILE A 94 4.415 -11.023 9.812 1.00 0.00 C ATOM 1524 CD1 ILE A 94 0.605 -11.726 9.549 1.00 0.00 C ATOM 0 H ILE A 94 2.352 -13.902 8.897 1.00 0.00 H new ATOM 0 HA ILE A 94 4.222 -13.230 11.077 1.00 0.00 H new ATOM 0 HB ILE A 94 2.729 -11.084 11.130 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.072 -10.377 8.798 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.293 -12.038 8.288 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.284 -9.973 9.550 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.129 -11.106 10.631 1.00 0.00 H new ATOM 0 HG23 ILE A 94 4.790 -11.569 8.946 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.063 -11.556 8.705 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.538 -12.769 9.860 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.314 -11.081 10.378 1.00 0.00 H new ATOM 1536 N HIS A 95 2.065 -12.747 12.698 1.00 0.00 N ATOM 1537 CA HIS A 95 1.016 -12.969 13.680 1.00 0.00 C ATOM 1538 C HIS A 95 -0.118 -11.975 13.461 1.00 0.00 C ATOM 1539 O HIS A 95 0.123 -10.828 13.075 1.00 0.00 O ATOM 1540 CB HIS A 95 1.574 -12.860 15.103 1.00 0.00 C ATOM 1541 CG HIS A 95 2.652 -13.862 15.395 1.00 0.00 C ATOM 1542 ND1 HIS A 95 2.394 -15.190 15.651 1.00 0.00 N ATOM 1543 CD2 HIS A 95 3.999 -13.726 15.451 1.00 0.00 C ATOM 1544 CE1 HIS A 95 3.531 -15.828 15.851 1.00 0.00 C ATOM 1545 NE2 HIS A 95 4.520 -14.964 15.735 1.00 0.00 N ATOM 0 H HIS A 95 2.698 -11.978 12.920 1.00 0.00 H new ATOM 0 HA HIS A 95 0.623 -13.978 13.554 1.00 0.00 H new ATOM 0 HB2 HIS A 95 1.970 -11.856 15.255 1.00 0.00 H new ATOM 0 HB3 HIS A 95 0.761 -12.993 15.816 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.558 -12.814 15.300 1.00 0.00 H new ATOM 0 HE1 HIS A 95 3.634 -16.880 16.072 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.511 -15.180 15.839 1.00 0.00 H new ATOM 1554 N LYS A 96 -1.347 -12.417 13.714 1.00 0.00 N ATOM 1555 CA LYS A 96 -2.543 -11.626 13.413 1.00 0.00 C ATOM 1556 C LYS A 96 -2.505 -10.240 14.061 1.00 0.00 C ATOM 1557 O LYS A 96 -3.013 -9.270 13.498 1.00 0.00 O ATOM 1558 CB LYS A 96 -3.805 -12.380 13.850 1.00 0.00 C ATOM 1559 CG LYS A 96 -3.855 -12.703 15.336 1.00 0.00 C ATOM 1560 CD LYS A 96 -5.119 -13.468 15.702 1.00 0.00 C ATOM 1561 CE LYS A 96 -6.373 -12.653 15.426 1.00 0.00 C ATOM 1562 NZ LYS A 96 -7.600 -13.360 15.877 1.00 0.00 N ATOM 0 H LYS A 96 -1.544 -13.327 14.131 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.565 -11.477 12.333 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.679 -11.784 13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.873 -13.310 13.285 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.980 -13.293 15.610 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.809 -11.778 15.911 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.158 -14.398 15.135 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.087 -13.739 16.757 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.300 -11.691 15.933 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.444 -12.446 14.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.434 -12.773 15.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.683 -14.267 15.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.543 -13.535 16.901 1.00 0.00 H new ATOM 1576 N LYS A 97 -1.894 -10.148 15.235 1.00 0.00 N ATOM 1577 CA LYS A 97 -1.810 -8.882 15.951 1.00 0.00 C ATOM 1578 C LYS A 97 -0.915 -7.889 15.223 1.00 0.00 C ATOM 1579 O LYS A 97 -1.212 -6.696 15.173 1.00 0.00 O ATOM 1580 CB LYS A 97 -1.299 -9.107 17.376 1.00 0.00 C ATOM 1581 CG LYS A 97 -2.349 -9.680 18.312 1.00 0.00 C ATOM 1582 CD LYS A 97 -3.506 -8.710 18.485 1.00 0.00 C ATOM 1583 CE LYS A 97 -4.583 -9.273 19.392 1.00 0.00 C ATOM 1584 NZ LYS A 97 -5.701 -8.312 19.575 1.00 0.00 N ATOM 0 H LYS A 97 -1.450 -10.933 15.711 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.814 -8.460 15.996 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.444 -9.782 17.345 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.942 -8.159 17.780 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.718 -10.626 17.916 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.900 -9.894 19.282 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.135 -7.773 18.900 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.936 -8.480 17.510 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.966 -10.202 18.970 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.151 -9.518 20.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.419 -8.730 20.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.339 -7.435 20.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.129 -8.097 18.652 1.00 0.00 H new ATOM 1598 N ARG A 98 0.160 -8.389 14.630 1.00 0.00 N ATOM 1599 CA ARG A 98 1.135 -7.526 13.980 1.00 0.00 C ATOM 1600 C ARG A 98 0.634 -7.092 12.610 1.00 0.00 C ATOM 1601 O ARG A 98 0.927 -5.988 12.159 1.00 0.00 O ATOM 1602 CB ARG A 98 2.482 -8.240 13.844 1.00 0.00 C ATOM 1603 CG ARG A 98 3.669 -7.292 13.751 1.00 0.00 C ATOM 1604 CD ARG A 98 4.066 -6.747 15.123 1.00 0.00 C ATOM 1605 NE ARG A 98 2.963 -6.059 15.799 1.00 0.00 N ATOM 1606 CZ ARG A 98 2.664 -6.214 17.090 1.00 0.00 C ATOM 1607 NH1 ARG A 98 3.374 -7.038 17.852 1.00 0.00 N ATOM 1608 NH2 ARG A 98 1.647 -5.552 17.621 1.00 0.00 N ATOM 0 H ARG A 98 0.378 -9.384 14.586 1.00 0.00 H new ATOM 0 HA ARG A 98 1.271 -6.640 14.600 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.622 -8.900 14.700 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.461 -8.871 12.955 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.517 -7.813 13.307 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.422 -6.463 13.088 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.414 -7.569 15.749 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.902 -6.058 15.007 1.00 0.00 H new ATOM 0 HE ARG A 98 2.388 -5.422 15.248 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.155 -7.558 17.451 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.139 -7.151 18.838 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.091 -4.922 17.043 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.420 -5.672 18.608 1.00 0.00 H new ATOM 1622 N PHE A 99 -0.139 -7.957 11.957 1.00 0.00 N ATOM 1623 CA PHE A 99 -0.685 -7.644 10.641 1.00 0.00 C ATOM 1624 C PHE A 99 -1.611 -6.433 10.731 1.00 0.00 C ATOM 1625 O PHE A 99 -1.684 -5.616 9.808 1.00 0.00 O ATOM 1626 CB PHE A 99 -1.441 -8.845 10.068 1.00 0.00 C ATOM 1627 CG PHE A 99 -1.747 -8.719 8.598 1.00 0.00 C ATOM 1628 CD1 PHE A 99 -0.834 -9.155 7.651 1.00 0.00 C ATOM 1629 CD2 PHE A 99 -2.943 -8.171 8.166 1.00 0.00 C ATOM 1630 CE1 PHE A 99 -1.106 -9.046 6.302 1.00 0.00 C ATOM 1631 CE2 PHE A 99 -3.220 -8.058 6.816 1.00 0.00 C ATOM 1632 CZ PHE A 99 -2.300 -8.498 5.883 1.00 0.00 C ATOM 0 H PHE A 99 -0.400 -8.875 12.316 1.00 0.00 H new ATOM 0 HA PHE A 99 0.143 -7.409 9.972 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.851 -9.747 10.232 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.375 -8.971 10.616 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.103 -9.586 7.973 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.667 -7.828 8.891 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.384 -9.390 5.576 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.155 -7.626 6.491 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.516 -8.413 4.828 1.00 0.00 H new ATOM 1642 N LYS A 100 -2.304 -6.323 11.860 1.00 0.00 N ATOM 1643 CA LYS A 100 -3.176 -5.188 12.123 1.00 0.00 C ATOM 1644 C LYS A 100 -2.348 -3.903 12.111 1.00 0.00 C ATOM 1645 O LYS A 100 -2.671 -2.950 11.403 1.00 0.00 O ATOM 1646 CB LYS A 100 -3.868 -5.365 13.483 1.00 0.00 C ATOM 1647 CG LYS A 100 -5.288 -4.808 13.559 1.00 0.00 C ATOM 1648 CD LYS A 100 -5.360 -3.348 13.146 1.00 0.00 C ATOM 1649 CE LYS A 100 -6.697 -2.720 13.510 1.00 0.00 C ATOM 1650 NZ LYS A 100 -7.856 -3.492 12.981 1.00 0.00 N ATOM 0 H LYS A 100 -2.277 -7.013 12.611 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.942 -5.127 11.350 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.897 -6.428 13.724 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.262 -4.881 14.249 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.941 -5.397 12.916 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.663 -4.914 14.577 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.555 -2.794 13.629 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.202 -3.267 12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.777 -2.649 14.595 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.734 -1.703 13.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.732 -2.954 13.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.728 -3.655 11.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.918 -4.406 13.473 1.00 0.00 H new ATOM 1664 N ASP A 101 -1.260 -3.914 12.875 1.00 0.00 N ATOM 1665 CA ASP A 101 -0.352 -2.782 12.964 1.00 0.00 C ATOM 1666 C ASP A 101 0.235 -2.440 11.602 1.00 0.00 C ATOM 1667 O ASP A 101 0.342 -1.267 11.242 1.00 0.00 O ATOM 1668 CB ASP A 101 0.774 -3.112 13.942 1.00 0.00 C ATOM 1669 CG ASP A 101 0.350 -3.028 15.393 1.00 0.00 C ATOM 1670 OD1 ASP A 101 0.168 -1.908 15.907 1.00 0.00 O ATOM 1671 OD2 ASP A 101 0.210 -4.089 16.030 1.00 0.00 O ATOM 0 H ASP A 101 -0.985 -4.711 13.450 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.912 -1.917 13.319 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.142 -4.117 13.736 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.605 -2.427 13.773 1.00 0.00 H new ATOM 1676 N ILE A 102 0.616 -3.468 10.847 1.00 0.00 N ATOM 1677 CA ILE A 102 1.143 -3.277 9.498 1.00 0.00 C ATOM 1678 C ILE A 102 0.124 -2.539 8.635 1.00 0.00 C ATOM 1679 O ILE A 102 0.440 -1.514 8.030 1.00 0.00 O ATOM 1680 CB ILE A 102 1.504 -4.623 8.827 1.00 0.00 C ATOM 1681 CG1 ILE A 102 2.602 -5.334 9.620 1.00 0.00 C ATOM 1682 CG2 ILE A 102 1.948 -4.400 7.385 1.00 0.00 C ATOM 1683 CD1 ILE A 102 2.966 -6.698 9.075 1.00 0.00 C ATOM 0 H ILE A 102 0.570 -4.442 11.147 1.00 0.00 H new ATOM 0 HA ILE A 102 2.054 -2.685 9.585 1.00 0.00 H new ATOM 0 HB ILE A 102 0.616 -5.255 8.819 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.494 -4.707 9.629 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.277 -5.442 10.655 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.198 -5.358 6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.140 -3.931 6.824 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.824 -3.752 7.370 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.751 -7.138 9.690 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.087 -7.343 9.092 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.323 -6.597 8.050 1.00 0.00 H new ATOM 1695 N THR A 103 -1.101 -3.049 8.618 1.00 0.00 N ATOM 1696 CA THR A 103 -2.179 -2.439 7.853 1.00 0.00 C ATOM 1697 C THR A 103 -2.405 -0.996 8.296 1.00 0.00 C ATOM 1698 O THR A 103 -2.482 -0.088 7.470 1.00 0.00 O ATOM 1699 CB THR A 103 -3.490 -3.234 8.014 1.00 0.00 C ATOM 1700 OG1 THR A 103 -3.258 -4.616 7.711 1.00 0.00 O ATOM 1701 CG2 THR A 103 -4.574 -2.684 7.098 1.00 0.00 C ATOM 0 H THR A 103 -1.373 -3.889 9.129 1.00 0.00 H new ATOM 0 HA THR A 103 -1.885 -2.451 6.804 1.00 0.00 H new ATOM 0 HB THR A 103 -3.827 -3.136 9.046 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.804 -5.045 8.466 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.489 -3.261 7.230 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.765 -1.640 7.346 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.245 -2.756 6.061 1.00 0.00 H new ATOM 1709 N GLU A 104 -2.481 -0.796 9.605 1.00 0.00 N ATOM 1710 CA GLU A 104 -2.702 0.523 10.183 1.00 0.00 C ATOM 1711 C GLU A 104 -1.597 1.503 9.802 1.00 0.00 C ATOM 1712 O GLU A 104 -1.871 2.662 9.488 1.00 0.00 O ATOM 1713 CB GLU A 104 -2.805 0.408 11.707 1.00 0.00 C ATOM 1714 CG GLU A 104 -4.161 -0.077 12.188 1.00 0.00 C ATOM 1715 CD GLU A 104 -5.291 0.835 11.752 1.00 0.00 C ATOM 1716 OE1 GLU A 104 -5.778 0.690 10.612 1.00 0.00 O ATOM 1717 OE2 GLU A 104 -5.700 1.707 12.548 1.00 0.00 O ATOM 0 H GLU A 104 -2.391 -1.542 10.295 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.637 0.913 9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.036 -0.276 12.065 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.598 1.381 12.152 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.341 -1.082 11.805 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.154 -0.147 13.276 1.00 0.00 H new ATOM 1724 N SER A 105 -0.356 1.038 9.823 1.00 0.00 N ATOM 1725 CA SER A 105 0.780 1.881 9.480 1.00 0.00 C ATOM 1726 C SER A 105 0.763 2.244 7.993 1.00 0.00 C ATOM 1727 O SER A 105 1.055 3.382 7.617 1.00 0.00 O ATOM 1728 CB SER A 105 2.088 1.173 9.842 1.00 0.00 C ATOM 1729 OG SER A 105 2.104 0.794 11.210 1.00 0.00 O ATOM 0 H SER A 105 -0.110 0.080 10.074 1.00 0.00 H new ATOM 0 HA SER A 105 0.708 2.805 10.053 1.00 0.00 H new ATOM 0 HB2 SER A 105 2.212 0.290 9.216 1.00 0.00 H new ATOM 0 HB3 SER A 105 2.931 1.832 9.634 1.00 0.00 H new ATOM 0 HG SER A 105 1.479 0.053 11.351 1.00 0.00 H new ATOM 1735 N VAL A 106 0.416 1.274 7.151 1.00 0.00 N ATOM 1736 CA VAL A 106 0.313 1.510 5.717 1.00 0.00 C ATOM 1737 C VAL A 106 -0.841 2.464 5.419 1.00 0.00 C ATOM 1738 O VAL A 106 -0.666 3.467 4.725 1.00 0.00 O ATOM 1739 CB VAL A 106 0.116 0.189 4.933 1.00 0.00 C ATOM 1740 CG1 VAL A 106 -0.088 0.458 3.450 1.00 0.00 C ATOM 1741 CG2 VAL A 106 1.305 -0.743 5.141 1.00 0.00 C ATOM 0 H VAL A 106 0.202 0.319 7.438 1.00 0.00 H new ATOM 0 HA VAL A 106 1.251 1.960 5.391 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.780 -0.297 5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.224 -0.487 2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.972 1.081 3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.785 0.974 3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.147 -1.665 4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.215 -0.257 4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.405 -0.974 6.201 1.00 0.00 H new ATOM 1751 N LEU A 107 -2.012 2.159 5.973 1.00 0.00 N ATOM 1752 CA LEU A 107 -3.202 2.977 5.767 1.00 0.00 C ATOM 1753 C LEU A 107 -2.985 4.406 6.244 1.00 0.00 C ATOM 1754 O LEU A 107 -3.338 5.353 5.545 1.00 0.00 O ATOM 1755 CB LEU A 107 -4.412 2.373 6.484 1.00 0.00 C ATOM 1756 CG LEU A 107 -5.013 1.127 5.829 1.00 0.00 C ATOM 1757 CD1 LEU A 107 -6.160 0.589 6.670 1.00 0.00 C ATOM 1758 CD2 LEU A 107 -5.485 1.445 4.418 1.00 0.00 C ATOM 0 H LEU A 107 -2.161 1.346 6.571 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.397 2.996 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.120 2.121 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.188 3.135 6.554 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.242 0.359 5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.577 -0.297 6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.792 0.327 7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.934 1.351 6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.910 0.549 3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.244 2.227 4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.640 1.787 3.820 1.00 0.00 H new ATOM 1770 N TYR A 108 -2.399 4.555 7.428 1.00 0.00 N ATOM 1771 CA TYR A 108 -2.148 5.873 8.007 1.00 0.00 C ATOM 1772 C TYR A 108 -1.321 6.726 7.045 1.00 0.00 C ATOM 1773 O TYR A 108 -1.599 7.907 6.842 1.00 0.00 O ATOM 1774 CB TYR A 108 -1.416 5.726 9.343 1.00 0.00 C ATOM 1775 CG TYR A 108 -1.639 6.870 10.302 1.00 0.00 C ATOM 1776 CD1 TYR A 108 -2.797 6.937 11.065 1.00 0.00 C ATOM 1777 CD2 TYR A 108 -0.693 7.875 10.455 1.00 0.00 C ATOM 1778 CE1 TYR A 108 -3.008 7.972 11.952 1.00 0.00 C ATOM 1779 CE2 TYR A 108 -0.894 8.914 11.343 1.00 0.00 C ATOM 1780 CZ TYR A 108 -2.054 8.958 12.088 1.00 0.00 C ATOM 1781 OH TYR A 108 -2.262 9.989 12.978 1.00 0.00 O ATOM 0 H TYR A 108 -2.087 3.776 8.008 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.103 6.369 8.179 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.737 4.800 9.820 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.347 5.632 9.150 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.546 6.165 10.962 1.00 0.00 H new ATOM 0 HD2 TYR A 108 0.215 7.844 9.870 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.915 8.010 12.537 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.148 9.687 11.453 1.00 0.00 H new ATOM 0 HH TYR A 108 -1.496 10.600 12.956 1.00 0.00 H new ATOM 1791 N THR A 109 -0.320 6.103 6.438 1.00 0.00 N ATOM 1792 CA THR A 109 0.536 6.778 5.476 1.00 0.00 C ATOM 1793 C THR A 109 -0.225 7.079 4.182 1.00 0.00 C ATOM 1794 O THR A 109 -0.164 8.193 3.659 1.00 0.00 O ATOM 1795 CB THR A 109 1.779 5.920 5.166 1.00 0.00 C ATOM 1796 OG1 THR A 109 2.508 5.670 6.375 1.00 0.00 O ATOM 1797 CG2 THR A 109 2.685 6.602 4.152 1.00 0.00 C ATOM 0 H THR A 109 -0.081 5.124 6.597 1.00 0.00 H new ATOM 0 HA THR A 109 0.856 7.722 5.917 1.00 0.00 H new ATOM 0 HB THR A 109 1.441 4.977 4.737 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.095 4.924 6.858 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.552 5.971 3.956 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.136 6.763 3.224 1.00 0.00 H new ATOM 0 HG23 THR A 109 3.017 7.561 4.548 1.00 0.00 H new ATOM 1805 N LEU A 110 -0.957 6.085 3.682 1.00 0.00 N ATOM 1806 CA LEU A 110 -1.720 6.234 2.445 1.00 0.00 C ATOM 1807 C LEU A 110 -2.761 7.343 2.569 1.00 0.00 C ATOM 1808 O LEU A 110 -2.944 8.143 1.649 1.00 0.00 O ATOM 1809 CB LEU A 110 -2.411 4.918 2.080 1.00 0.00 C ATOM 1810 CG LEU A 110 -1.478 3.756 1.737 1.00 0.00 C ATOM 1811 CD1 LEU A 110 -2.284 2.492 1.480 1.00 0.00 C ATOM 1812 CD2 LEU A 110 -0.618 4.095 0.529 1.00 0.00 C ATOM 0 H LEU A 110 -1.038 5.166 4.116 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.019 6.503 1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.045 4.618 2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.068 5.097 1.229 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.817 3.582 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.608 1.672 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.856 2.238 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.966 2.659 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.038 3.255 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.259 4.296 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.016 4.977 0.747 1.00 0.00 H new ATOM 1824 N HIS A 111 -3.433 7.393 3.715 1.00 0.00 N ATOM 1825 CA HIS A 111 -4.458 8.404 3.962 1.00 0.00 C ATOM 1826 C HIS A 111 -3.834 9.793 3.961 1.00 0.00 C ATOM 1827 O HIS A 111 -4.432 10.753 3.477 1.00 0.00 O ATOM 1828 CB HIS A 111 -5.167 8.165 5.302 1.00 0.00 C ATOM 1829 CG HIS A 111 -5.906 6.859 5.402 1.00 0.00 C ATOM 1830 ND1 HIS A 111 -6.313 6.327 6.603 1.00 0.00 N ATOM 1831 CD2 HIS A 111 -6.312 5.979 4.450 1.00 0.00 C ATOM 1832 CE1 HIS A 111 -6.935 5.182 6.394 1.00 0.00 C ATOM 1833 NE2 HIS A 111 -6.950 4.948 5.098 1.00 0.00 N ATOM 0 H HIS A 111 -3.287 6.745 4.489 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.196 8.331 3.163 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.427 8.209 6.101 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.871 8.979 5.474 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -6.162 6.072 3.385 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -7.359 4.545 7.156 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.368 4.133 4.648 1.00 0.00 H new ATOM 1842 N ALA A 112 -2.620 9.879 4.490 1.00 0.00 N ATOM 1843 CA ALA A 112 -1.907 11.147 4.581 1.00 0.00 C ATOM 1844 C ALA A 112 -1.534 11.676 3.200 1.00 0.00 C ATOM 1845 O ALA A 112 -1.760 12.846 2.893 1.00 0.00 O ATOM 1846 CB ALA A 112 -0.660 10.987 5.436 1.00 0.00 C ATOM 0 H ALA A 112 -2.106 9.081 4.864 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.572 11.873 5.049 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -0.136 11.941 5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.945 10.665 6.438 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.005 10.241 4.987 1.00 0.00 H new ATOM 1852 N VAL A 113 -0.969 10.807 2.369 1.00 0.00 N ATOM 1853 CA VAL A 113 -0.576 11.184 1.016 1.00 0.00 C ATOM 1854 C VAL A 113 -1.805 11.587 0.206 1.00 0.00 C ATOM 1855 O VAL A 113 -1.798 12.597 -0.497 1.00 0.00 O ATOM 1856 CB VAL A 113 0.163 10.033 0.300 1.00 0.00 C ATOM 1857 CG1 VAL A 113 0.548 10.430 -1.119 1.00 0.00 C ATOM 1858 CG2 VAL A 113 1.393 9.619 1.093 1.00 0.00 C ATOM 0 H VAL A 113 -0.773 9.835 2.609 1.00 0.00 H new ATOM 0 HA VAL A 113 0.106 12.031 1.093 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.514 9.181 0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.067 9.601 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.351 10.673 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.204 11.300 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.903 8.807 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.068 10.470 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.090 9.284 2.085 1.00 0.00 H new ATOM 1868 N LYS A 114 -2.864 10.793 0.341 1.00 0.00 N ATOM 1869 CA LYS A 114 -4.144 11.077 -0.297 1.00 0.00 C ATOM 1870 C LYS A 114 -4.618 12.477 0.075 1.00 0.00 C ATOM 1871 O LYS A 114 -5.056 13.252 -0.778 1.00 0.00 O ATOM 1872 CB LYS A 114 -5.177 10.021 0.147 1.00 0.00 C ATOM 1873 CG LYS A 114 -6.589 10.191 -0.421 1.00 0.00 C ATOM 1874 CD LYS A 114 -7.402 11.252 0.323 1.00 0.00 C ATOM 1875 CE LYS A 114 -7.535 10.933 1.807 1.00 0.00 C ATOM 1876 NZ LYS A 114 -8.236 12.016 2.549 1.00 0.00 N ATOM 0 H LYS A 114 -2.858 9.937 0.895 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.029 11.033 -1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.807 9.036 -0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.239 10.036 1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.522 10.463 -1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.113 9.237 -0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.925 12.225 0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.394 11.326 -0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.081 9.998 1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.544 10.782 2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.748 11.608 3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.540 12.708 2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.911 12.490 1.916 1.00 0.00 H new ATOM 1890 N ASP A 115 -4.509 12.797 1.357 1.00 0.00 N ATOM 1891 CA ASP A 115 -5.069 14.032 1.885 1.00 0.00 C ATOM 1892 C ASP A 115 -4.316 15.251 1.373 1.00 0.00 C ATOM 1893 O ASP A 115 -4.932 16.244 1.006 1.00 0.00 O ATOM 1894 CB ASP A 115 -5.066 14.015 3.412 1.00 0.00 C ATOM 1895 CG ASP A 115 -6.186 14.853 3.988 1.00 0.00 C ATOM 1896 OD1 ASP A 115 -7.347 14.393 3.943 1.00 0.00 O ATOM 1897 OD2 ASP A 115 -5.921 15.969 4.485 1.00 0.00 O ATOM 0 H ASP A 115 -4.037 12.217 2.051 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.099 14.100 1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.163 12.988 3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.109 14.388 3.777 1.00 0.00 H new ATOM 1902 N GLU A 116 -2.988 15.165 1.332 1.00 0.00 N ATOM 1903 CA GLU A 116 -2.158 16.256 0.837 1.00 0.00 C ATOM 1904 C GLU A 116 -2.469 16.550 -0.632 1.00 0.00 C ATOM 1905 O GLU A 116 -2.560 17.709 -1.039 1.00 0.00 O ATOM 1906 CB GLU A 116 -0.683 15.899 1.012 1.00 0.00 C ATOM 1907 CG GLU A 116 0.283 16.985 0.570 1.00 0.00 C ATOM 1908 CD GLU A 116 0.101 18.295 1.317 1.00 0.00 C ATOM 1909 OE1 GLU A 116 0.053 18.274 2.562 1.00 0.00 O ATOM 1910 OE2 GLU A 116 0.007 19.355 0.660 1.00 0.00 O ATOM 0 H GLU A 116 -2.463 14.345 1.638 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.377 17.155 1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.499 15.672 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.472 14.991 0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 116 1.304 16.633 0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 116 0.154 17.163 -0.498 1.00 0.00 H new ATOM 1917 N ILE A 117 -2.656 15.497 -1.422 1.00 0.00 N ATOM 1918 CA ILE A 117 -2.998 15.657 -2.830 1.00 0.00 C ATOM 1919 C ILE A 117 -4.343 16.373 -2.981 1.00 0.00 C ATOM 1920 O ILE A 117 -4.482 17.303 -3.782 1.00 0.00 O ATOM 1921 CB ILE A 117 -3.051 14.291 -3.559 1.00 0.00 C ATOM 1922 CG1 ILE A 117 -1.686 13.597 -3.491 1.00 0.00 C ATOM 1923 CG2 ILE A 117 -3.484 14.470 -5.010 1.00 0.00 C ATOM 1924 CD1 ILE A 117 -1.670 12.218 -4.121 1.00 0.00 C ATOM 0 H ILE A 117 -2.577 14.528 -1.112 1.00 0.00 H new ATOM 0 HA ILE A 117 -2.215 16.262 -3.288 1.00 0.00 H new ATOM 0 HB ILE A 117 -3.787 13.663 -3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -0.945 14.223 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -1.383 13.513 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -3.514 13.498 -5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -4.475 14.924 -5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -2.773 15.116 -5.525 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -0.671 11.790 -4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -2.386 11.575 -3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -1.941 12.296 -5.174 1.00 0.00 H new ATOM 1936 N ALA A 118 -5.323 15.949 -2.188 1.00 0.00 N ATOM 1937 CA ALA A 118 -6.648 16.560 -2.203 1.00 0.00 C ATOM 1938 C ALA A 118 -6.612 17.943 -1.554 1.00 0.00 C ATOM 1939 O ALA A 118 -7.493 18.775 -1.778 1.00 0.00 O ATOM 1940 CB ALA A 118 -7.650 15.660 -1.495 1.00 0.00 C ATOM 0 H ALA A 118 -5.223 15.181 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 118 -6.962 16.681 -3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.635 16.127 -1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.696 14.697 -2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.338 15.511 -0.461 1.00 0.00 H new ATOM 1946 N ARG A 119 -5.585 18.173 -0.747 1.00 0.00 N ATOM 1947 CA ARG A 119 -5.386 19.454 -0.080 1.00 0.00 C ATOM 1948 C ARG A 119 -4.804 20.466 -1.062 1.00 0.00 C ATOM 1949 O ARG A 119 -4.998 21.672 -0.924 1.00 0.00 O ATOM 1950 CB ARG A 119 -4.462 19.268 1.133 1.00 0.00 C ATOM 1951 CG ARG A 119 -4.305 20.503 2.006 1.00 0.00 C ATOM 1952 CD ARG A 119 -5.638 20.959 2.580 1.00 0.00 C ATOM 1953 NE ARG A 119 -5.459 21.716 3.816 1.00 0.00 N ATOM 1954 CZ ARG A 119 -6.062 22.873 4.089 1.00 0.00 C ATOM 1955 NH1 ARG A 119 -6.870 23.441 3.201 1.00 0.00 N ATOM 1956 NH2 ARG A 119 -5.846 23.469 5.253 1.00 0.00 N ATOM 0 H ARG A 119 -4.868 17.479 -0.536 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.344 19.835 0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.848 18.453 1.745 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.477 18.962 0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.613 20.288 2.820 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.866 21.310 1.419 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -6.159 21.575 1.847 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -6.268 20.091 2.772 1.00 0.00 H new ATOM 0 HE ARG A 119 -4.828 21.332 4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -7.034 22.992 2.300 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.326 24.326 3.420 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -5.220 23.042 5.936 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -6.306 24.354 5.466 1.00 0.00 H new ATOM 1970 N GLU A 120 -4.091 19.969 -2.060 1.00 0.00 N ATOM 1971 CA GLU A 120 -3.588 20.820 -3.125 1.00 0.00 C ATOM 1972 C GLU A 120 -4.678 21.041 -4.170 1.00 0.00 C ATOM 1973 O GLU A 120 -4.919 22.173 -4.596 1.00 0.00 O ATOM 1974 CB GLU A 120 -2.358 20.201 -3.772 1.00 0.00 C ATOM 1975 CG GLU A 120 -1.719 21.092 -4.822 1.00 0.00 C ATOM 1976 CD GLU A 120 -0.760 20.336 -5.713 1.00 0.00 C ATOM 1977 OE1 GLU A 120 -1.229 19.486 -6.490 1.00 0.00 O ATOM 1978 OE2 GLU A 120 0.457 20.599 -5.656 1.00 0.00 O ATOM 0 H GLU A 120 -3.848 18.983 -2.154 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.302 21.781 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.623 19.978 -2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.636 19.252 -4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.499 21.545 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.188 21.906 -4.329 1.00 0.00 H new