USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 LYS NZ :NH3+ -114:sc= 0.068 (180deg=-0.0334) USER MOD Set 1.2: A 84 CYS SG : rot -71:sc= 0.123 USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= -0.739 USER MOD Set 2.2: A 73 HIS : no HE2:sc= -2.42 K(o=-3.2,f=-4.1!) USER MOD Single : A 14 HIS : no HD1:sc= -0.724 K(o=-0.72,f=-1.3) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 24 HIS : no HD1:sc= -0.45 X(o=-0.45,f=-0.13) USER MOD Single : A 26 MET CE :methyl -126:sc= -0.407 (180deg=-1.79) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00775 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.0379 K(o=-0.038,f=-1.4!) USER MOD Single : A 42 LYS NZ :NH3+ 172:sc=-0.00857 (180deg=-0.0905) USER MOD Single : A 44 TYR OH : rot 15:sc= -0.241 USER MOD Single : A 46 SER OG : rot 3:sc= 0.0781 USER MOD Single : A 49 THR OG1 : rot 100:sc= -0.345 USER MOD Single : A 63 LYS NZ :NH3+ -156:sc= 0.985 (180deg=0.103) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 83:sc= 0.415 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -138:sc= 0.453 (180deg=0.000824) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 -0.421 6.099 -4.601 1.00 0.00 N ATOM 98 CA VAL A 10 -1.205 5.487 -3.535 1.00 0.00 C ATOM 99 C VAL A 10 -1.812 4.164 -3.989 1.00 0.00 C ATOM 100 O VAL A 10 -2.539 4.111 -4.982 1.00 0.00 O ATOM 101 CB VAL A 10 -2.333 6.421 -3.060 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.108 6.970 -4.248 1.00 0.00 C ATOM 103 CG2 VAL A 10 -3.260 5.691 -2.099 1.00 0.00 C ATOM 0 HA VAL A 10 -0.522 5.304 -2.705 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.886 7.261 -2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.901 7.628 -3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.433 7.531 -4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.546 6.145 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.051 6.366 -1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.701 4.831 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.692 5.353 -1.232 1.00 0.00 H new ATOM 113 N LEU A 11 -1.510 3.098 -3.256 1.00 0.00 N ATOM 114 CA LEU A 11 -2.028 1.774 -3.582 1.00 0.00 C ATOM 115 C LEU A 11 -3.136 1.369 -2.616 1.00 0.00 C ATOM 116 O LEU A 11 -2.934 1.338 -1.402 1.00 0.00 O ATOM 117 CB LEU A 11 -0.900 0.741 -3.545 1.00 0.00 C ATOM 118 CG LEU A 11 -1.328 -0.714 -3.352 1.00 0.00 C ATOM 119 CD1 LEU A 11 -1.843 -1.296 -4.659 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.171 -1.544 -2.816 1.00 0.00 C ATOM 0 H LEU A 11 -0.909 3.125 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.446 1.812 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.338 0.813 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.217 1.008 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.137 -0.741 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.143 -2.332 -4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.701 -0.718 -5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.055 -1.256 -5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.494 -2.577 -2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.659 -1.510 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.152 -1.140 -1.857 1.00 0.00 H new ATOM 132 N ASP A 12 -4.305 1.056 -3.163 1.00 0.00 N ATOM 133 CA ASP A 12 -5.445 0.649 -2.350 1.00 0.00 C ATOM 134 C ASP A 12 -5.498 -0.869 -2.209 1.00 0.00 C ATOM 135 O ASP A 12 -5.724 -1.587 -3.185 1.00 0.00 O ATOM 136 CB ASP A 12 -6.748 1.162 -2.966 1.00 0.00 C ATOM 137 CG ASP A 12 -7.281 0.239 -4.045 1.00 0.00 C ATOM 138 OD1 ASP A 12 -6.838 0.366 -5.206 1.00 0.00 O ATOM 139 OD2 ASP A 12 -8.140 -0.609 -3.728 1.00 0.00 O ATOM 0 H ASP A 12 -4.488 1.076 -4.166 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.325 1.084 -1.358 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.498 1.272 -2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.581 2.153 -3.389 1.00 0.00 H new ATOM 144 N LEU A 13 -5.287 -1.353 -0.990 1.00 0.00 N ATOM 145 CA LEU A 13 -5.309 -2.787 -0.722 1.00 0.00 C ATOM 146 C LEU A 13 -6.706 -3.242 -0.311 1.00 0.00 C ATOM 147 O LEU A 13 -7.108 -4.374 -0.587 1.00 0.00 O ATOM 148 CB LEU A 13 -4.304 -3.136 0.377 1.00 0.00 C ATOM 149 CG LEU A 13 -2.827 -2.987 0.007 1.00 0.00 C ATOM 150 CD1 LEU A 13 -1.958 -3.032 1.254 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.412 -4.074 -0.975 1.00 0.00 C ATOM 0 H LEU A 13 -5.099 -0.774 -0.172 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.031 -3.307 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.507 -2.504 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.478 -4.166 0.687 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.687 -2.019 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.911 -2.925 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.239 -2.218 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.101 -3.985 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.359 -3.953 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.566 -5.053 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.014 -3.995 -1.881 1.00 0.00 H new ATOM 163 N HIS A 14 -7.443 -2.353 0.347 1.00 0.00 N ATOM 164 CA HIS A 14 -8.797 -2.663 0.793 1.00 0.00 C ATOM 165 C HIS A 14 -9.642 -3.190 -0.363 1.00 0.00 C ATOM 166 O HIS A 14 -9.795 -2.526 -1.387 1.00 0.00 O ATOM 167 CB HIS A 14 -9.455 -1.421 1.396 1.00 0.00 C ATOM 168 CG HIS A 14 -10.059 -0.508 0.375 1.00 0.00 C ATOM 169 ND1 HIS A 14 -9.310 0.182 -0.555 1.00 0.00 N ATOM 170 CD2 HIS A 14 -11.349 -0.174 0.139 1.00 0.00 C ATOM 171 CE1 HIS A 14 -10.113 0.903 -1.317 1.00 0.00 C ATOM 172 NE2 HIS A 14 -11.356 0.704 -0.917 1.00 0.00 N ATOM 0 H HIS A 14 -7.126 -1.413 0.583 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.733 -3.438 1.557 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.230 -1.734 2.095 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.711 -0.869 1.971 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.212 -0.531 0.680 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.806 1.546 -2.129 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.186 1.133 -1.326 1.00 0.00 H new ATOM 180 N GLY A 15 -10.189 -4.390 -0.191 1.00 0.00 N ATOM 181 CA GLY A 15 -11.011 -4.986 -1.227 1.00 0.00 C ATOM 182 C GLY A 15 -10.454 -6.306 -1.721 1.00 0.00 C ATOM 183 O GLY A 15 -11.208 -7.204 -2.102 1.00 0.00 O ATOM 0 H GLY A 15 -10.077 -4.960 0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.019 -5.142 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.093 -4.293 -2.065 1.00 0.00 H new ATOM 187 N LEU A 16 -9.131 -6.426 -1.718 1.00 0.00 N ATOM 188 CA LEU A 16 -8.473 -7.647 -2.172 1.00 0.00 C ATOM 189 C LEU A 16 -8.271 -8.619 -1.014 1.00 0.00 C ATOM 190 O LEU A 16 -8.517 -8.281 0.145 1.00 0.00 O ATOM 191 CB LEU A 16 -7.125 -7.314 -2.814 1.00 0.00 C ATOM 192 CG LEU A 16 -7.173 -6.830 -4.264 1.00 0.00 C ATOM 193 CD1 LEU A 16 -5.990 -5.923 -4.563 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.196 -8.013 -5.220 1.00 0.00 C ATOM 0 H LEU A 16 -8.493 -5.694 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.115 -8.123 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.638 -6.547 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.495 -8.202 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.089 -6.256 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.041 -5.588 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.018 -5.058 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.062 -6.472 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.230 -7.650 -6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.298 -8.614 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.077 -8.624 -5.022 1.00 0.00 H new ATOM 206 N HIS A 17 -7.820 -9.828 -1.334 1.00 0.00 N ATOM 207 CA HIS A 17 -7.582 -10.849 -0.320 1.00 0.00 C ATOM 208 C HIS A 17 -6.183 -10.710 0.273 1.00 0.00 C ATOM 209 O HIS A 17 -5.235 -10.351 -0.425 1.00 0.00 O ATOM 210 CB HIS A 17 -7.758 -12.244 -0.920 1.00 0.00 C ATOM 211 CG HIS A 17 -7.988 -13.312 0.105 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.133 -14.379 0.285 1.00 0.00 N ATOM 213 CD2 HIS A 17 -8.983 -13.472 1.009 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.593 -15.150 1.254 1.00 0.00 C ATOM 215 NE2 HIS A 17 -8.714 -14.622 1.711 1.00 0.00 N ATOM 0 H HIS A 17 -7.612 -10.124 -2.288 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.311 -10.710 0.478 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.600 -12.229 -1.613 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.871 -12.495 -1.502 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -9.830 -12.818 1.152 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.131 -16.058 1.612 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.287 -15.006 2.463 1.00 0.00 H new ATOM 223 N VAL A 18 -6.063 -10.995 1.566 1.00 0.00 N ATOM 224 CA VAL A 18 -4.780 -10.902 2.253 1.00 0.00 C ATOM 225 C VAL A 18 -3.636 -11.333 1.342 1.00 0.00 C ATOM 226 O VAL A 18 -2.652 -10.611 1.180 1.00 0.00 O ATOM 227 CB VAL A 18 -4.762 -11.769 3.526 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.351 -11.862 4.088 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.723 -11.210 4.564 1.00 0.00 C ATOM 0 H VAL A 18 -6.838 -11.292 2.159 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.645 -9.857 2.531 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.090 -12.775 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.357 -12.478 4.987 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.692 -12.311 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.991 -10.863 4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.698 -11.835 5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.427 -10.194 4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.734 -11.201 4.156 1.00 0.00 H new ATOM 239 N ASP A 19 -3.773 -12.513 0.748 1.00 0.00 N ATOM 240 CA ASP A 19 -2.751 -13.040 -0.150 1.00 0.00 C ATOM 241 C ASP A 19 -2.460 -12.056 -1.279 1.00 0.00 C ATOM 242 O ASP A 19 -1.307 -11.703 -1.524 1.00 0.00 O ATOM 243 CB ASP A 19 -3.195 -14.384 -0.729 1.00 0.00 C ATOM 244 CG ASP A 19 -2.773 -15.555 0.135 1.00 0.00 C ATOM 245 OD1 ASP A 19 -1.608 -15.572 0.584 1.00 0.00 O ATOM 246 OD2 ASP A 19 -3.607 -16.457 0.363 1.00 0.00 O ATOM 0 H ASP A 19 -4.581 -13.123 0.872 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.837 -13.186 0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.280 -14.389 -0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.774 -14.503 -1.727 1.00 0.00 H new ATOM 251 N GLU A 20 -3.512 -11.619 -1.963 1.00 0.00 N ATOM 252 CA GLU A 20 -3.368 -10.678 -3.067 1.00 0.00 C ATOM 253 C GLU A 20 -2.744 -9.370 -2.589 1.00 0.00 C ATOM 254 O GLU A 20 -1.699 -8.950 -3.085 1.00 0.00 O ATOM 255 CB GLU A 20 -4.728 -10.402 -3.712 1.00 0.00 C ATOM 256 CG GLU A 20 -5.068 -11.353 -4.846 1.00 0.00 C ATOM 257 CD GLU A 20 -4.589 -10.849 -6.194 1.00 0.00 C ATOM 258 OE1 GLU A 20 -3.426 -11.129 -6.552 1.00 0.00 O ATOM 259 OE2 GLU A 20 -5.377 -10.175 -6.890 1.00 0.00 O ATOM 0 H GLU A 20 -4.473 -11.902 -1.772 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.707 -11.126 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.503 -10.469 -2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.740 -9.380 -4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.619 -12.326 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.147 -11.501 -4.880 1.00 0.00 H new ATOM 266 N ALA A 21 -3.394 -8.730 -1.622 1.00 0.00 N ATOM 267 CA ALA A 21 -2.903 -7.471 -1.075 1.00 0.00 C ATOM 268 C ALA A 21 -1.404 -7.536 -0.807 1.00 0.00 C ATOM 269 O ALA A 21 -0.657 -6.629 -1.176 1.00 0.00 O ATOM 270 CB ALA A 21 -3.655 -7.121 0.201 1.00 0.00 C ATOM 0 H ALA A 21 -4.262 -9.063 -1.201 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.079 -6.689 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.278 -6.179 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.718 -7.023 -0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.508 -7.910 0.938 1.00 0.00 H new ATOM 276 N LEU A 22 -0.969 -8.614 -0.163 1.00 0.00 N ATOM 277 CA LEU A 22 0.443 -8.797 0.156 1.00 0.00 C ATOM 278 C LEU A 22 1.294 -8.770 -1.110 1.00 0.00 C ATOM 279 O LEU A 22 2.122 -7.878 -1.293 1.00 0.00 O ATOM 280 CB LEU A 22 0.651 -10.119 0.897 1.00 0.00 C ATOM 281 CG LEU A 22 0.535 -10.060 2.420 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.645 -11.454 3.018 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.601 -9.142 3.001 1.00 0.00 C ATOM 0 H LEU A 22 -1.574 -9.374 0.148 1.00 0.00 H new ATOM 0 HA LEU A 22 0.755 -7.974 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.077 -10.840 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.639 -10.504 0.642 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.444 -9.654 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.560 -11.392 4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.155 -12.082 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.609 -11.888 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.503 -9.112 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.589 -9.518 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.475 -8.137 2.598 1.00 0.00 H new ATOM 295 N GLU A 23 1.083 -9.753 -1.980 1.00 0.00 N ATOM 296 CA GLU A 23 1.831 -9.841 -3.229 1.00 0.00 C ATOM 297 C GLU A 23 1.893 -8.483 -3.922 1.00 0.00 C ATOM 298 O GLU A 23 2.944 -8.073 -4.416 1.00 0.00 O ATOM 299 CB GLU A 23 1.192 -10.873 -4.160 1.00 0.00 C ATOM 300 CG GLU A 23 1.291 -12.299 -3.647 1.00 0.00 C ATOM 301 CD GLU A 23 2.584 -12.978 -4.056 1.00 0.00 C ATOM 302 OE1 GLU A 23 3.082 -12.688 -5.164 1.00 0.00 O ATOM 303 OE2 GLU A 23 3.097 -13.800 -3.268 1.00 0.00 O ATOM 0 H GLU A 23 0.401 -10.499 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 23 2.848 -10.156 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.142 -10.619 -4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.670 -10.813 -5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.215 -12.296 -2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.447 -12.876 -4.024 1.00 0.00 H new ATOM 310 N HIS A 24 0.759 -7.789 -3.955 1.00 0.00 N ATOM 311 CA HIS A 24 0.684 -6.477 -4.587 1.00 0.00 C ATOM 312 C HIS A 24 1.634 -5.493 -3.913 1.00 0.00 C ATOM 313 O HIS A 24 2.347 -4.744 -4.582 1.00 0.00 O ATOM 314 CB HIS A 24 -0.747 -5.942 -4.531 1.00 0.00 C ATOM 315 CG HIS A 24 -1.584 -6.342 -5.707 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.220 -6.084 -7.012 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.772 -6.988 -5.770 1.00 0.00 C ATOM 318 CE1 HIS A 24 -2.149 -6.551 -7.826 1.00 0.00 C ATOM 319 NE2 HIS A 24 -3.102 -7.105 -7.097 1.00 0.00 N ATOM 0 H HIS A 24 -0.120 -8.114 -3.552 1.00 0.00 H new ATOM 0 HA HIS A 24 0.983 -6.586 -5.629 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.224 -6.299 -3.618 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.717 -4.854 -4.470 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.352 -7.345 -4.932 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.133 -6.490 -8.904 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.946 -7.548 -7.461 1.00 0.00 H new ATOM 327 N LEU A 25 1.641 -5.500 -2.584 1.00 0.00 N ATOM 328 CA LEU A 25 2.504 -4.608 -1.818 1.00 0.00 C ATOM 329 C LEU A 25 3.967 -4.800 -2.205 1.00 0.00 C ATOM 330 O LEU A 25 4.765 -3.866 -2.138 1.00 0.00 O ATOM 331 CB LEU A 25 2.324 -4.854 -0.320 1.00 0.00 C ATOM 332 CG LEU A 25 3.202 -4.015 0.609 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.501 -2.716 0.977 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.561 -4.803 1.860 1.00 0.00 C ATOM 0 H LEU A 25 1.058 -6.114 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 25 2.219 -3.581 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.280 -4.670 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.520 -5.907 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 25 4.124 -3.769 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.141 -2.132 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.296 -2.144 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.563 -2.940 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.186 -4.190 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.649 -5.080 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.105 -5.705 1.578 1.00 0.00 H new ATOM 346 N MET A 26 4.310 -6.018 -2.612 1.00 0.00 N ATOM 347 CA MET A 26 5.677 -6.332 -3.013 1.00 0.00 C ATOM 348 C MET A 26 5.931 -5.906 -4.456 1.00 0.00 C ATOM 349 O MET A 26 6.961 -5.306 -4.763 1.00 0.00 O ATOM 350 CB MET A 26 5.946 -7.830 -2.856 1.00 0.00 C ATOM 351 CG MET A 26 5.769 -8.333 -1.433 1.00 0.00 C ATOM 352 SD MET A 26 5.851 -10.130 -1.316 1.00 0.00 S ATOM 353 CE MET A 26 4.316 -10.484 -0.464 1.00 0.00 C ATOM 0 H MET A 26 3.661 -6.803 -2.673 1.00 0.00 H new ATOM 0 HA MET A 26 6.356 -5.779 -2.364 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.275 -8.382 -3.514 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.963 -8.045 -3.185 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.540 -7.896 -0.799 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.808 -7.991 -1.048 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.522 -11.081 0.425 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.839 -9.549 -0.171 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.651 -11.038 -1.127 1.00 0.00 H new ATOM 363 N ARG A 27 4.987 -6.221 -5.336 1.00 0.00 N ATOM 364 CA ARG A 27 5.110 -5.872 -6.747 1.00 0.00 C ATOM 365 C ARG A 27 5.113 -4.358 -6.934 1.00 0.00 C ATOM 366 O ARG A 27 5.802 -3.830 -7.807 1.00 0.00 O ATOM 367 CB ARG A 27 3.967 -6.494 -7.550 1.00 0.00 C ATOM 368 CG ARG A 27 4.261 -7.903 -8.038 1.00 0.00 C ATOM 369 CD ARG A 27 5.025 -7.889 -9.352 1.00 0.00 C ATOM 370 NE ARG A 27 4.156 -7.592 -10.488 1.00 0.00 N ATOM 371 CZ ARG A 27 4.599 -7.429 -11.729 1.00 0.00 C ATOM 372 NH1 ARG A 27 5.894 -7.536 -11.994 1.00 0.00 N ATOM 373 NH2 ARG A 27 3.746 -7.161 -12.710 1.00 0.00 N ATOM 0 H ARG A 27 4.128 -6.717 -5.098 1.00 0.00 H new ATOM 0 HA ARG A 27 6.058 -6.268 -7.112 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.069 -6.513 -6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.750 -5.859 -8.409 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.840 -8.437 -7.285 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.326 -8.448 -8.166 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.821 -7.146 -9.301 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.502 -8.857 -9.504 1.00 0.00 H new ATOM 0 HE ARG A 27 3.154 -7.505 -10.319 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.553 -7.744 -11.243 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.231 -7.410 -12.948 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.749 -7.080 -12.511 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.088 -7.036 -13.663 1.00 0.00 H new ATOM 387 N VAL A 28 4.336 -3.663 -6.109 1.00 0.00 N ATOM 388 CA VAL A 28 4.248 -2.210 -6.182 1.00 0.00 C ATOM 389 C VAL A 28 5.448 -1.552 -5.509 1.00 0.00 C ATOM 390 O VAL A 28 5.890 -0.477 -5.916 1.00 0.00 O ATOM 391 CB VAL A 28 2.956 -1.691 -5.524 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.733 -2.227 -6.253 1.00 0.00 C ATOM 393 CG2 VAL A 28 2.919 -2.071 -4.052 1.00 0.00 C ATOM 0 H VAL A 28 3.758 -4.084 -5.382 1.00 0.00 H new ATOM 0 HA VAL A 28 4.238 -1.947 -7.240 1.00 0.00 H new ATOM 0 HB VAL A 28 2.944 -0.603 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.830 -1.850 -5.774 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.756 -1.900 -7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.736 -3.316 -6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.999 -1.696 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.954 -3.156 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.777 -1.633 -3.542 1.00 0.00 H new ATOM 403 N LEU A 29 5.971 -2.204 -4.477 1.00 0.00 N ATOM 404 CA LEU A 29 7.121 -1.684 -3.746 1.00 0.00 C ATOM 405 C LEU A 29 8.333 -1.551 -4.662 1.00 0.00 C ATOM 406 O LEU A 29 9.144 -0.638 -4.506 1.00 0.00 O ATOM 407 CB LEU A 29 7.457 -2.598 -2.566 1.00 0.00 C ATOM 408 CG LEU A 29 6.775 -2.259 -1.240 1.00 0.00 C ATOM 409 CD1 LEU A 29 6.826 -3.449 -0.294 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.424 -1.040 -0.602 1.00 0.00 C ATOM 0 H LEU A 29 5.617 -3.094 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 29 6.863 -0.694 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.192 -3.620 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.536 -2.578 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 29 5.730 -2.025 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.336 -3.189 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.314 -4.297 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.865 -3.715 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.925 -0.814 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.478 -1.245 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.334 -0.186 -1.274 1.00 0.00 H new ATOM 422 N GLU A 30 8.449 -2.467 -5.619 1.00 0.00 N ATOM 423 CA GLU A 30 9.562 -2.450 -6.561 1.00 0.00 C ATOM 424 C GLU A 30 9.171 -1.740 -7.853 1.00 0.00 C ATOM 425 O GLU A 30 9.971 -1.013 -8.443 1.00 0.00 O ATOM 426 CB GLU A 30 10.020 -3.877 -6.869 1.00 0.00 C ATOM 427 CG GLU A 30 10.716 -4.558 -5.702 1.00 0.00 C ATOM 428 CD GLU A 30 12.177 -4.170 -5.586 1.00 0.00 C ATOM 429 OE1 GLU A 30 12.467 -3.130 -4.959 1.00 0.00 O ATOM 430 OE2 GLU A 30 13.030 -4.907 -6.123 1.00 0.00 O ATOM 0 H GLU A 30 7.786 -3.229 -5.762 1.00 0.00 H new ATOM 0 HA GLU A 30 10.385 -1.903 -6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.155 -4.472 -7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.697 -3.856 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.201 -4.300 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.639 -5.639 -5.819 1.00 0.00 H new ATOM 437 N LYS A 31 7.934 -1.956 -8.289 1.00 0.00 N ATOM 438 CA LYS A 31 7.434 -1.337 -9.511 1.00 0.00 C ATOM 439 C LYS A 31 7.274 0.169 -9.332 1.00 0.00 C ATOM 440 O LYS A 31 7.450 0.939 -10.277 1.00 0.00 O ATOM 441 CB LYS A 31 6.094 -1.959 -9.910 1.00 0.00 C ATOM 442 CG LYS A 31 5.521 -1.395 -11.198 1.00 0.00 C ATOM 443 CD LYS A 31 4.626 -2.403 -11.899 1.00 0.00 C ATOM 444 CE LYS A 31 5.428 -3.330 -12.799 1.00 0.00 C ATOM 445 NZ LYS A 31 4.586 -3.927 -13.872 1.00 0.00 N ATOM 0 H LYS A 31 7.259 -2.555 -7.814 1.00 0.00 H new ATOM 0 HA LYS A 31 8.161 -1.516 -10.303 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.221 -3.036 -10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.377 -1.803 -9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.951 -0.492 -10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.335 -1.105 -11.863 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.088 -2.992 -11.156 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.878 -1.876 -12.492 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.251 -2.776 -13.250 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.870 -4.126 -12.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.170 -4.552 -14.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.815 -4.477 -13.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.185 -3.169 -14.460 1.00 0.00 H new ATOM 459 N LYS A 32 6.942 0.584 -8.114 1.00 0.00 N ATOM 460 CA LYS A 32 6.761 1.999 -7.810 1.00 0.00 C ATOM 461 C LYS A 32 8.108 2.700 -7.661 1.00 0.00 C ATOM 462 O LYS A 32 8.369 3.711 -8.313 1.00 0.00 O ATOM 463 CB LYS A 32 5.944 2.165 -6.527 1.00 0.00 C ATOM 464 CG LYS A 32 4.525 1.634 -6.637 1.00 0.00 C ATOM 465 CD LYS A 32 3.615 2.618 -7.353 1.00 0.00 C ATOM 466 CE LYS A 32 2.167 2.152 -7.335 1.00 0.00 C ATOM 467 NZ LYS A 32 1.399 2.685 -8.494 1.00 0.00 N ATOM 0 H LYS A 32 6.793 -0.040 -7.321 1.00 0.00 H new ATOM 0 HA LYS A 32 6.222 2.457 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.454 1.650 -5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.908 3.222 -6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.531 0.686 -7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.132 1.433 -5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.690 3.596 -6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.947 2.738 -8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.136 1.063 -7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.694 2.473 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.417 2.345 -8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.407 3.725 -8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.835 2.358 -9.380 1.00 0.00 H new ATOM 481 N THR A 33 8.962 2.155 -6.801 1.00 0.00 N ATOM 482 CA THR A 33 10.282 2.727 -6.567 1.00 0.00 C ATOM 483 C THR A 33 11.024 2.952 -7.880 1.00 0.00 C ATOM 484 O THR A 33 11.880 3.831 -7.976 1.00 0.00 O ATOM 485 CB THR A 33 11.134 1.822 -5.658 1.00 0.00 C ATOM 486 OG1 THR A 33 12.422 2.411 -5.448 1.00 0.00 O ATOM 487 CG2 THR A 33 11.297 0.439 -6.271 1.00 0.00 C ATOM 0 H THR A 33 8.763 1.317 -6.254 1.00 0.00 H new ATOM 0 HA THR A 33 10.128 3.685 -6.071 1.00 0.00 H new ATOM 0 HB THR A 33 10.622 1.720 -4.701 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.957 1.830 -4.868 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.902 -0.182 -5.611 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.317 -0.019 -6.402 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.789 0.526 -7.240 1.00 0.00 H new ATOM 495 N GLU A 34 10.689 2.154 -8.888 1.00 0.00 N ATOM 496 CA GLU A 34 11.325 2.267 -10.195 1.00 0.00 C ATOM 497 C GLU A 34 11.246 3.699 -10.716 1.00 0.00 C ATOM 498 O GLU A 34 12.268 4.361 -10.897 1.00 0.00 O ATOM 499 CB GLU A 34 10.664 1.313 -11.193 1.00 0.00 C ATOM 500 CG GLU A 34 11.303 -0.064 -11.233 1.00 0.00 C ATOM 501 CD GLU A 34 10.418 -1.099 -11.902 1.00 0.00 C ATOM 502 OE1 GLU A 34 9.870 -0.799 -12.983 1.00 0.00 O ATOM 503 OE2 GLU A 34 10.274 -2.207 -11.344 1.00 0.00 O ATOM 0 H GLU A 34 9.981 1.422 -8.825 1.00 0.00 H new ATOM 0 HA GLU A 34 12.375 1.996 -10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.609 1.208 -10.938 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.709 1.754 -12.189 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.252 -0.005 -11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.527 -0.386 -10.216 1.00 0.00 H new ATOM 510 N GLU A 35 10.026 4.170 -10.955 1.00 0.00 N ATOM 511 CA GLU A 35 9.815 5.523 -11.456 1.00 0.00 C ATOM 512 C GLU A 35 10.367 6.558 -10.479 1.00 0.00 C ATOM 513 O GLU A 35 10.778 7.647 -10.877 1.00 0.00 O ATOM 514 CB GLU A 35 8.325 5.775 -11.696 1.00 0.00 C ATOM 515 CG GLU A 35 7.763 5.017 -12.886 1.00 0.00 C ATOM 516 CD GLU A 35 8.654 5.109 -14.110 1.00 0.00 C ATOM 517 OE1 GLU A 35 9.198 6.203 -14.367 1.00 0.00 O ATOM 518 OE2 GLU A 35 8.807 4.086 -14.810 1.00 0.00 O ATOM 0 H GLU A 35 9.170 3.635 -10.810 1.00 0.00 H new ATOM 0 HA GLU A 35 10.349 5.620 -12.401 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.769 5.494 -10.802 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.166 6.843 -11.848 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.631 3.969 -12.615 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.776 5.410 -13.129 1.00 0.00 H new ATOM 525 N PHE A 36 10.371 6.208 -9.197 1.00 0.00 N ATOM 526 CA PHE A 36 10.870 7.106 -8.161 1.00 0.00 C ATOM 527 C PHE A 36 12.332 7.464 -8.410 1.00 0.00 C ATOM 528 O PHE A 36 12.755 8.596 -8.176 1.00 0.00 O ATOM 529 CB PHE A 36 10.719 6.461 -6.782 1.00 0.00 C ATOM 530 CG PHE A 36 11.774 6.889 -5.802 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.921 8.223 -5.460 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.619 5.955 -5.223 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.891 8.620 -4.558 1.00 0.00 C ATOM 534 CE2 PHE A 36 13.590 6.346 -4.320 1.00 0.00 C ATOM 535 CZ PHE A 36 13.727 7.680 -3.988 1.00 0.00 C ATOM 0 H PHE A 36 10.035 5.310 -8.850 1.00 0.00 H new ATOM 0 HA PHE A 36 10.279 8.022 -8.193 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.737 6.710 -6.379 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.754 5.377 -6.891 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.270 8.962 -5.903 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.518 4.911 -5.480 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.995 9.664 -4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 36 14.241 5.609 -3.874 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.486 7.987 -3.284 1.00 0.00 H new ATOM 545 N LYS A 37 13.101 6.490 -8.887 1.00 0.00 N ATOM 546 CA LYS A 37 14.515 6.700 -9.169 1.00 0.00 C ATOM 547 C LYS A 37 14.721 7.160 -10.609 1.00 0.00 C ATOM 548 O LYS A 37 15.585 7.990 -10.887 1.00 0.00 O ATOM 549 CB LYS A 37 15.304 5.413 -8.916 1.00 0.00 C ATOM 550 CG LYS A 37 15.210 4.914 -7.485 1.00 0.00 C ATOM 551 CD LYS A 37 15.829 3.534 -7.334 1.00 0.00 C ATOM 552 CE LYS A 37 15.864 3.096 -5.878 1.00 0.00 C ATOM 553 NZ LYS A 37 16.421 1.723 -5.725 1.00 0.00 N ATOM 0 H LYS A 37 12.767 5.547 -9.086 1.00 0.00 H new ATOM 0 HA LYS A 37 14.880 7.480 -8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.940 4.636 -9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.351 5.584 -9.164 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.715 5.615 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.165 4.880 -7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.259 2.812 -7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.842 3.542 -7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.466 3.798 -5.302 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.856 3.127 -5.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.428 1.461 -4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.832 1.049 -6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.392 1.699 -6.096 1.00 0.00 H new ATOM 567 N GLN A 38 13.919 6.615 -11.519 1.00 0.00 N ATOM 568 CA GLN A 38 14.014 6.971 -12.930 1.00 0.00 C ATOM 569 C GLN A 38 13.647 8.436 -13.148 1.00 0.00 C ATOM 570 O GLN A 38 14.395 9.186 -13.773 1.00 0.00 O ATOM 571 CB GLN A 38 13.099 6.074 -13.766 1.00 0.00 C ATOM 572 CG GLN A 38 13.539 4.620 -13.800 1.00 0.00 C ATOM 573 CD GLN A 38 14.570 4.347 -14.877 1.00 0.00 C ATOM 574 OE1 GLN A 38 15.718 4.012 -14.583 1.00 0.00 O ATOM 575 NE2 GLN A 38 14.166 4.490 -16.134 1.00 0.00 N ATOM 0 H GLN A 38 13.198 5.927 -11.305 1.00 0.00 H new ATOM 0 HA GLN A 38 15.046 6.823 -13.248 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.086 6.129 -13.367 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.061 6.457 -14.786 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.952 4.347 -12.829 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.669 3.985 -13.966 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.205 4.769 -16.332 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.816 4.320 -16.901 1.00 0.00 H new ATOM 584 N ASN A 39 12.491 8.835 -12.628 1.00 0.00 N ATOM 585 CA ASN A 39 12.025 10.210 -12.767 1.00 0.00 C ATOM 586 C ASN A 39 12.350 11.023 -11.517 1.00 0.00 C ATOM 587 O ASN A 39 13.179 11.931 -11.553 1.00 0.00 O ATOM 588 CB ASN A 39 10.518 10.235 -13.028 1.00 0.00 C ATOM 589 CG ASN A 39 10.042 11.582 -13.539 1.00 0.00 C ATOM 590 OD1 ASN A 39 10.826 12.367 -14.073 1.00 0.00 O ATOM 591 ND2 ASN A 39 8.753 11.854 -13.377 1.00 0.00 N ATOM 0 H ASN A 39 11.860 8.226 -12.107 1.00 0.00 H new ATOM 0 HA ASN A 39 12.541 10.659 -13.615 1.00 0.00 H new ATOM 0 HB2 ASN A 39 10.265 9.463 -13.755 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.988 9.991 -12.107 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.375 12.744 -13.701 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.140 11.173 -12.929 1.00 0.00 H new ATOM 598 N GLY A 40 11.690 10.689 -10.412 1.00 0.00 N ATOM 599 CA GLY A 40 11.922 11.397 -9.167 1.00 0.00 C ATOM 600 C GLY A 40 10.632 11.792 -8.475 1.00 0.00 C ATOM 601 O GLY A 40 9.997 12.779 -8.847 1.00 0.00 O ATOM 0 H GLY A 40 10.999 9.941 -10.357 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.511 10.768 -8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.513 12.291 -9.366 1.00 0.00 H new ATOM 605 N GLY A 41 10.243 11.019 -7.466 1.00 0.00 N ATOM 606 CA GLY A 41 9.021 11.309 -6.739 1.00 0.00 C ATOM 607 C GLY A 41 9.204 11.211 -5.237 1.00 0.00 C ATOM 608 O GLY A 41 10.329 11.233 -4.738 1.00 0.00 O ATOM 0 H GLY A 41 10.752 10.198 -7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.678 12.311 -6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.241 10.615 -7.053 1.00 0.00 H new ATOM 612 N LYS A 42 8.094 11.104 -4.513 1.00 0.00 N ATOM 613 CA LYS A 42 8.136 11.002 -3.059 1.00 0.00 C ATOM 614 C LYS A 42 8.845 9.724 -2.623 1.00 0.00 C ATOM 615 O LYS A 42 8.613 8.642 -3.162 1.00 0.00 O ATOM 616 CB LYS A 42 6.717 11.033 -2.485 1.00 0.00 C ATOM 617 CG LYS A 42 5.984 12.337 -2.745 1.00 0.00 C ATOM 618 CD LYS A 42 4.483 12.177 -2.572 1.00 0.00 C ATOM 619 CE LYS A 42 3.761 13.509 -2.712 1.00 0.00 C ATOM 620 NZ LYS A 42 3.944 14.100 -4.066 1.00 0.00 N ATOM 0 H LYS A 42 7.155 11.086 -4.910 1.00 0.00 H new ATOM 0 HA LYS A 42 8.696 11.855 -2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.143 10.212 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.765 10.861 -1.410 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.350 13.104 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.200 12.681 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.103 11.476 -3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.272 11.749 -1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.698 13.368 -2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.133 14.204 -1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.331 14.934 -4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.937 14.384 -4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.693 13.396 -4.789 1.00 0.00 H new ATOM 634 N PRO A 43 9.728 9.849 -1.622 1.00 0.00 N ATOM 635 CA PRO A 43 10.487 8.714 -1.089 1.00 0.00 C ATOM 636 C PRO A 43 9.605 7.737 -0.319 1.00 0.00 C ATOM 637 O PRO A 43 10.086 6.732 0.204 1.00 0.00 O ATOM 638 CB PRO A 43 11.501 9.373 -0.150 1.00 0.00 C ATOM 639 CG PRO A 43 10.863 10.658 0.253 1.00 0.00 C ATOM 640 CD PRO A 43 10.054 11.109 -0.932 1.00 0.00 C ATOM 0 HA PRO A 43 10.943 8.121 -1.882 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.706 8.744 0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.453 9.544 -0.652 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.229 10.521 1.129 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.615 11.401 0.517 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.155 11.643 -0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.622 11.783 -1.573 1.00 0.00 H new ATOM 648 N TYR A 44 8.313 8.038 -0.256 1.00 0.00 N ATOM 649 CA TYR A 44 7.364 7.187 0.452 1.00 0.00 C ATOM 650 C TYR A 44 6.270 6.691 -0.489 1.00 0.00 C ATOM 651 O TYR A 44 6.242 7.044 -1.668 1.00 0.00 O ATOM 652 CB TYR A 44 6.739 7.947 1.623 1.00 0.00 C ATOM 653 CG TYR A 44 6.247 9.329 1.254 1.00 0.00 C ATOM 654 CD1 TYR A 44 7.112 10.416 1.243 1.00 0.00 C ATOM 655 CD2 TYR A 44 4.917 9.546 0.915 1.00 0.00 C ATOM 656 CE1 TYR A 44 6.667 11.680 0.908 1.00 0.00 C ATOM 657 CE2 TYR A 44 4.464 10.806 0.576 1.00 0.00 C ATOM 658 CZ TYR A 44 5.342 11.870 0.575 1.00 0.00 C ATOM 659 OH TYR A 44 4.895 13.127 0.238 1.00 0.00 O ATOM 0 H TYR A 44 7.899 8.865 -0.686 1.00 0.00 H new ATOM 0 HA TYR A 44 7.907 6.324 0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.905 7.367 2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.474 8.034 2.423 1.00 0.00 H new ATOM 0 HD1 TYR A 44 8.151 10.270 1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.226 8.716 0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.352 12.515 0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.428 10.957 0.313 1.00 0.00 H new ATOM 0 HH TYR A 44 5.662 13.708 0.053 1.00 0.00 H new ATOM 669 N LEU A 45 5.370 5.870 0.042 1.00 0.00 N ATOM 670 CA LEU A 45 4.272 5.325 -0.749 1.00 0.00 C ATOM 671 C LEU A 45 3.033 5.113 0.115 1.00 0.00 C ATOM 672 O LEU A 45 3.101 4.488 1.173 1.00 0.00 O ATOM 673 CB LEU A 45 4.690 4.003 -1.395 1.00 0.00 C ATOM 674 CG LEU A 45 3.738 3.441 -2.451 1.00 0.00 C ATOM 675 CD1 LEU A 45 4.109 3.957 -3.832 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.752 1.920 -2.426 1.00 0.00 C ATOM 0 H LEU A 45 5.379 5.567 1.016 1.00 0.00 H new ATOM 0 HA LEU A 45 4.028 6.043 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.669 4.140 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.808 3.258 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 45 2.728 3.779 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.421 3.547 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.046 5.045 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.126 3.650 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.069 1.537 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.761 1.562 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.437 1.569 -1.443 1.00 0.00 H new ATOM 688 N SER A 46 1.901 5.635 -0.346 1.00 0.00 N ATOM 689 CA SER A 46 0.646 5.504 0.385 1.00 0.00 C ATOM 690 C SER A 46 0.036 4.122 0.174 1.00 0.00 C ATOM 691 O SER A 46 0.049 3.587 -0.935 1.00 0.00 O ATOM 692 CB SER A 46 -0.343 6.583 -0.060 1.00 0.00 C ATOM 693 OG SER A 46 -1.338 6.801 0.925 1.00 0.00 O ATOM 0 H SER A 46 1.827 6.152 -1.222 1.00 0.00 H new ATOM 0 HA SER A 46 0.858 5.631 1.447 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.192 7.513 -0.253 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.814 6.285 -0.997 1.00 0.00 H new ATOM 0 HG SER A 46 -1.149 6.245 1.709 1.00 0.00 H new ATOM 699 N VAL A 47 -0.498 3.547 1.248 1.00 0.00 N ATOM 700 CA VAL A 47 -1.114 2.227 1.182 1.00 0.00 C ATOM 701 C VAL A 47 -2.337 2.146 2.089 1.00 0.00 C ATOM 702 O VAL A 47 -2.225 2.255 3.310 1.00 0.00 O ATOM 703 CB VAL A 47 -0.118 1.123 1.581 1.00 0.00 C ATOM 704 CG1 VAL A 47 -0.778 -0.245 1.505 1.00 0.00 C ATOM 705 CG2 VAL A 47 1.119 1.176 0.698 1.00 0.00 C ATOM 0 H VAL A 47 -0.516 3.975 2.174 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.421 2.072 0.148 1.00 0.00 H new ATOM 0 HB VAL A 47 0.192 1.294 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.059 -1.012 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.630 -0.276 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.119 -0.428 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.812 0.388 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.829 1.032 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.604 2.146 0.809 1.00 0.00 H new ATOM 715 N ILE A 48 -3.503 1.953 1.483 1.00 0.00 N ATOM 716 CA ILE A 48 -4.748 1.854 2.236 1.00 0.00 C ATOM 717 C ILE A 48 -5.177 0.401 2.402 1.00 0.00 C ATOM 718 O ILE A 48 -5.549 -0.263 1.434 1.00 0.00 O ATOM 719 CB ILE A 48 -5.883 2.638 1.552 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.518 4.120 1.447 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.185 2.461 2.318 1.00 0.00 C ATOM 722 CD1 ILE A 48 -4.685 4.453 0.228 1.00 0.00 C ATOM 0 H ILE A 48 -3.612 1.862 0.473 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.558 2.288 3.218 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.020 2.245 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.434 4.711 1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.971 4.415 2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.978 3.021 1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.450 1.404 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.061 2.831 3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.464 5.520 0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.752 3.890 0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.238 4.189 -0.674 1.00 0.00 H new ATOM 734 N THR A 49 -5.124 -0.089 3.637 1.00 0.00 N ATOM 735 CA THR A 49 -5.507 -1.464 3.931 1.00 0.00 C ATOM 736 C THR A 49 -7.017 -1.590 4.098 1.00 0.00 C ATOM 737 O THR A 49 -7.609 -2.608 3.742 1.00 0.00 O ATOM 738 CB THR A 49 -4.816 -1.980 5.207 1.00 0.00 C ATOM 739 OG1 THR A 49 -5.165 -1.152 6.322 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.304 -1.995 5.034 1.00 0.00 C ATOM 0 H THR A 49 -4.819 0.447 4.450 1.00 0.00 H new ATOM 0 HA THR A 49 -5.186 -2.069 3.083 1.00 0.00 H new ATOM 0 HB THR A 49 -5.156 -2.999 5.392 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.871 -1.587 6.844 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.837 -2.363 5.948 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.039 -2.648 4.203 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.951 -0.984 4.828 1.00 0.00 H new ATOM 885 N ARG A 61 -8.595 -8.125 7.470 1.00 0.00 N ATOM 886 CA ARG A 61 -7.370 -8.640 8.069 1.00 0.00 C ATOM 887 C ARG A 61 -6.185 -8.458 7.126 1.00 0.00 C ATOM 888 O ARG A 61 -5.305 -9.316 7.046 1.00 0.00 O ATOM 889 CB ARG A 61 -7.533 -10.120 8.421 1.00 0.00 C ATOM 890 CG ARG A 61 -6.423 -10.661 9.307 1.00 0.00 C ATOM 891 CD ARG A 61 -6.209 -12.150 9.084 1.00 0.00 C ATOM 892 NE ARG A 61 -7.262 -12.953 9.700 1.00 0.00 N ATOM 893 CZ ARG A 61 -7.351 -13.172 11.007 1.00 0.00 C ATOM 894 NH1 ARG A 61 -6.453 -12.651 11.832 1.00 0.00 N ATOM 895 NH2 ARG A 61 -8.339 -13.913 11.491 1.00 0.00 N ATOM 0 HA ARG A 61 -7.176 -8.075 8.981 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.490 -10.262 8.924 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.568 -10.702 7.500 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.497 -10.124 9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.670 -10.480 10.353 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.176 -12.355 8.014 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.243 -12.443 9.495 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.968 -13.369 9.093 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.692 -12.081 11.463 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.523 -12.820 12.835 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.031 -14.315 10.859 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.406 -14.080 12.495 1.00 0.00 H new ATOM 909 N ILE A 62 -6.170 -7.337 6.413 1.00 0.00 N ATOM 910 CA ILE A 62 -5.093 -7.043 5.476 1.00 0.00 C ATOM 911 C ILE A 62 -3.948 -6.309 6.166 1.00 0.00 C ATOM 912 O ILE A 62 -2.782 -6.678 6.022 1.00 0.00 O ATOM 913 CB ILE A 62 -5.593 -6.193 4.293 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.626 -6.973 3.477 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.425 -5.771 3.413 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.312 -6.140 2.417 1.00 0.00 C ATOM 0 H ILE A 62 -6.891 -6.618 6.466 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.733 -8.000 5.099 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.070 -5.295 4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.135 -7.821 3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.379 -7.379 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.794 -5.171 2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.721 -5.182 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.922 -6.657 3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.031 -6.757 1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.832 -5.306 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.568 -5.755 1.719 1.00 0.00 H new ATOM 928 N LYS A 63 -4.289 -5.269 6.920 1.00 0.00 N ATOM 929 CA LYS A 63 -3.291 -4.484 7.637 1.00 0.00 C ATOM 930 C LYS A 63 -2.384 -5.385 8.469 1.00 0.00 C ATOM 931 O LYS A 63 -1.162 -5.239 8.476 1.00 0.00 O ATOM 932 CB LYS A 63 -3.975 -3.456 8.541 1.00 0.00 C ATOM 933 CG LYS A 63 -3.181 -2.172 8.711 1.00 0.00 C ATOM 934 CD LYS A 63 -3.486 -1.500 10.040 1.00 0.00 C ATOM 935 CE LYS A 63 -2.459 -0.427 10.369 1.00 0.00 C ATOM 936 NZ LYS A 63 -2.800 0.299 11.625 1.00 0.00 N ATOM 0 H LYS A 63 -5.249 -4.950 7.050 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.679 -3.962 6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.954 -3.216 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.143 -3.902 9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.115 -2.391 8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.414 -1.488 7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.480 -1.055 10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.500 -2.248 10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.475 -0.885 10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.398 0.283 9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.356 1.240 11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.832 0.404 11.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.450 -0.239 12.443 1.00 0.00 H new ATOM 950 N PRO A 64 -2.995 -6.340 9.186 1.00 0.00 N ATOM 951 CA PRO A 64 -2.261 -7.285 10.032 1.00 0.00 C ATOM 952 C PRO A 64 -1.073 -7.911 9.308 1.00 0.00 C ATOM 953 O PRO A 64 0.054 -7.877 9.801 1.00 0.00 O ATOM 954 CB PRO A 64 -3.307 -8.352 10.364 1.00 0.00 C ATOM 955 CG PRO A 64 -4.615 -7.646 10.255 1.00 0.00 C ATOM 956 CD PRO A 64 -4.448 -6.572 9.224 1.00 0.00 C ATOM 0 HA PRO A 64 -1.835 -6.799 10.910 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.251 -9.191 9.670 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -3.157 -8.756 11.365 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.405 -8.339 9.965 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.903 -7.218 11.215 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.827 -6.888 8.252 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.990 -5.667 9.499 1.00 0.00 H new ATOM 964 N ALA A 65 -1.334 -8.482 8.137 1.00 0.00 N ATOM 965 CA ALA A 65 -0.286 -9.113 7.344 1.00 0.00 C ATOM 966 C ALA A 65 0.729 -8.084 6.859 1.00 0.00 C ATOM 967 O ALA A 65 1.936 -8.263 7.023 1.00 0.00 O ATOM 968 CB ALA A 65 -0.893 -9.856 6.164 1.00 0.00 C ATOM 0 H ALA A 65 -2.262 -8.521 7.716 1.00 0.00 H new ATOM 0 HA ALA A 65 0.236 -9.828 7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.099 -10.322 5.580 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.574 -10.624 6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.441 -9.154 5.535 1.00 0.00 H new ATOM 974 N VAL A 66 0.233 -7.007 6.259 1.00 0.00 N ATOM 975 CA VAL A 66 1.098 -5.949 5.749 1.00 0.00 C ATOM 976 C VAL A 66 2.092 -5.493 6.811 1.00 0.00 C ATOM 977 O VAL A 66 3.291 -5.394 6.551 1.00 0.00 O ATOM 978 CB VAL A 66 0.278 -4.735 5.272 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.187 -3.539 5.032 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.505 -5.082 4.015 1.00 0.00 C ATOM 0 H VAL A 66 -0.763 -6.844 6.114 1.00 0.00 H new ATOM 0 HA VAL A 66 1.642 -6.365 4.901 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.434 -4.469 6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.591 -2.691 4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.698 -3.279 5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.924 -3.790 4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.078 -4.213 3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.186 -5.375 3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.185 -5.907 4.226 1.00 0.00 H new ATOM 990 N ILE A 67 1.585 -5.215 8.008 1.00 0.00 N ATOM 991 CA ILE A 67 2.428 -4.770 9.110 1.00 0.00 C ATOM 992 C ILE A 67 3.494 -5.810 9.441 1.00 0.00 C ATOM 993 O ILE A 67 4.641 -5.469 9.731 1.00 0.00 O ATOM 994 CB ILE A 67 1.598 -4.483 10.374 1.00 0.00 C ATOM 995 CG1 ILE A 67 0.581 -3.372 10.101 1.00 0.00 C ATOM 996 CG2 ILE A 67 2.509 -4.101 11.531 1.00 0.00 C ATOM 997 CD1 ILE A 67 -0.489 -3.257 11.164 1.00 0.00 C ATOM 0 H ILE A 67 0.594 -5.290 8.239 1.00 0.00 H new ATOM 0 HA ILE A 67 2.911 -3.848 8.785 1.00 0.00 H new ATOM 0 HB ILE A 67 1.056 -5.388 10.648 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.107 -2.421 10.022 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.106 -3.554 9.137 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.907 -3.901 12.417 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.198 -4.920 11.737 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.076 -3.208 11.268 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.174 -2.450 10.905 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.041 -4.195 11.228 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.024 -3.043 12.127 1.00 0.00 H new ATOM 1009 N LYS A 68 3.108 -7.080 9.393 1.00 0.00 N ATOM 1010 CA LYS A 68 4.029 -8.172 9.685 1.00 0.00 C ATOM 1011 C LYS A 68 5.131 -8.249 8.633 1.00 0.00 C ATOM 1012 O LYS A 68 6.304 -8.436 8.960 1.00 0.00 O ATOM 1013 CB LYS A 68 3.274 -9.502 9.746 1.00 0.00 C ATOM 1014 CG LYS A 68 4.000 -10.578 10.535 1.00 0.00 C ATOM 1015 CD LYS A 68 3.640 -11.969 10.042 1.00 0.00 C ATOM 1016 CE LYS A 68 4.199 -13.047 10.958 1.00 0.00 C ATOM 1017 NZ LYS A 68 3.693 -14.400 10.596 1.00 0.00 N ATOM 0 H LYS A 68 2.162 -7.379 9.154 1.00 0.00 H new ATOM 0 HA LYS A 68 4.488 -7.978 10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.294 -9.334 10.193 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.104 -9.860 8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.076 -10.428 10.451 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.747 -10.489 11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.556 -12.066 9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.028 -12.110 9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.288 -13.040 10.905 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.929 -12.822 11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.097 -15.106 11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.656 -14.414 10.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.972 -14.625 9.620 1.00 0.00 H new ATOM 1031 N TYR A 69 4.748 -8.104 7.369 1.00 0.00 N ATOM 1032 CA TYR A 69 5.704 -8.158 6.270 1.00 0.00 C ATOM 1033 C TYR A 69 6.652 -6.963 6.313 1.00 0.00 C ATOM 1034 O TYR A 69 7.848 -7.095 6.046 1.00 0.00 O ATOM 1035 CB TYR A 69 4.969 -8.191 4.929 1.00 0.00 C ATOM 1036 CG TYR A 69 5.882 -8.033 3.734 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.409 -6.792 3.398 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.217 -9.124 2.941 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.243 -6.642 2.306 1.00 0.00 C ATOM 1040 CE2 TYR A 69 7.051 -8.984 1.849 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.561 -7.741 1.535 1.00 0.00 C ATOM 1042 OH TYR A 69 8.392 -7.596 0.448 1.00 0.00 O ATOM 0 H TYR A 69 3.782 -7.948 7.081 1.00 0.00 H new ATOM 0 HA TYR A 69 6.292 -9.069 6.378 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.431 -9.135 4.842 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.223 -7.396 4.913 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.163 -5.930 4.000 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.818 -10.098 3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.643 -5.670 2.058 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.303 -9.843 1.244 1.00 0.00 H new ATOM 0 HH TYR A 69 8.516 -8.465 0.013 1.00 0.00 H new ATOM 1052 N LEU A 70 6.111 -5.799 6.651 1.00 0.00 N ATOM 1053 CA LEU A 70 6.907 -4.579 6.731 1.00 0.00 C ATOM 1054 C LEU A 70 8.032 -4.728 7.751 1.00 0.00 C ATOM 1055 O LEU A 70 9.211 -4.700 7.398 1.00 0.00 O ATOM 1056 CB LEU A 70 6.020 -3.390 7.103 1.00 0.00 C ATOM 1057 CG LEU A 70 5.060 -2.903 6.018 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.132 -1.831 6.568 1.00 0.00 C ATOM 1059 CD2 LEU A 70 5.834 -2.376 4.818 1.00 0.00 C ATOM 0 H LEU A 70 5.124 -5.673 6.874 1.00 0.00 H new ATOM 0 HA LEU A 70 7.351 -4.400 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.436 -3.660 7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.663 -2.558 7.391 1.00 0.00 H new ATOM 0 HG LEU A 70 4.453 -3.747 5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.456 -1.496 5.781 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.552 -2.241 7.395 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.722 -0.986 6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.134 -2.034 4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.467 -1.545 5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.456 -3.172 4.408 1.00 0.00 H new ATOM 1071 N ILE A 71 7.658 -4.890 9.016 1.00 0.00 N ATOM 1072 CA ILE A 71 8.635 -5.047 10.086 1.00 0.00 C ATOM 1073 C ILE A 71 9.720 -6.046 9.697 1.00 0.00 C ATOM 1074 O ILE A 71 10.902 -5.828 9.963 1.00 0.00 O ATOM 1075 CB ILE A 71 7.968 -5.514 11.393 1.00 0.00 C ATOM 1076 CG1 ILE A 71 6.907 -4.506 11.838 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.013 -5.707 12.481 1.00 0.00 C ATOM 1078 CD1 ILE A 71 5.818 -5.113 12.695 1.00 0.00 C ATOM 0 H ILE A 71 6.686 -4.916 9.325 1.00 0.00 H new ATOM 0 HA ILE A 71 9.086 -4.068 10.248 1.00 0.00 H new ATOM 0 HB ILE A 71 7.479 -6.471 11.212 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.391 -3.703 12.394 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.454 -4.054 10.956 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.526 -6.037 13.399 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.735 -6.459 12.163 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.528 -4.764 12.663 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.101 -4.341 12.973 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.308 -5.896 12.134 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.259 -5.540 13.596 1.00 0.00 H new ATOM 1090 N SER A 72 9.310 -7.140 9.064 1.00 0.00 N ATOM 1091 CA SER A 72 10.247 -8.174 8.640 1.00 0.00 C ATOM 1092 C SER A 72 11.380 -7.574 7.813 1.00 0.00 C ATOM 1093 O SER A 72 12.557 -7.780 8.110 1.00 0.00 O ATOM 1094 CB SER A 72 9.521 -9.248 7.827 1.00 0.00 C ATOM 1095 OG SER A 72 8.780 -10.112 8.671 1.00 0.00 O ATOM 0 H SER A 72 8.335 -7.334 8.833 1.00 0.00 H new ATOM 0 HA SER A 72 10.674 -8.631 9.533 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.852 -8.775 7.108 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.246 -9.827 7.254 1.00 0.00 H new ATOM 0 HG SER A 72 7.912 -9.705 8.875 1.00 0.00 H new ATOM 1101 N HIS A 73 11.016 -6.830 6.773 1.00 0.00 N ATOM 1102 CA HIS A 73 12.001 -6.198 5.903 1.00 0.00 C ATOM 1103 C HIS A 73 12.481 -4.877 6.494 1.00 0.00 C ATOM 1104 O HIS A 73 13.100 -4.066 5.806 1.00 0.00 O ATOM 1105 CB HIS A 73 11.408 -5.963 4.513 1.00 0.00 C ATOM 1106 CG HIS A 73 11.255 -7.216 3.707 1.00 0.00 C ATOM 1107 ND1 HIS A 73 10.029 -7.719 3.324 1.00 0.00 N ATOM 1108 CD2 HIS A 73 12.181 -8.068 3.210 1.00 0.00 C ATOM 1109 CE1 HIS A 73 10.209 -8.827 2.628 1.00 0.00 C ATOM 1110 NE2 HIS A 73 11.506 -9.061 2.544 1.00 0.00 N ATOM 0 H HIS A 73 10.046 -6.650 6.513 1.00 0.00 H new ATOM 0 HA HIS A 73 12.856 -6.868 5.817 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.433 -5.488 4.619 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.045 -5.266 3.968 1.00 0.00 H new ATOM 0 HD1 HIS A 73 9.125 -7.301 3.544 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.252 -7.983 3.317 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.428 -9.438 2.200 1.00 0.00 H new ATOM 1118 N SER A 74 12.191 -4.667 7.774 1.00 0.00 N ATOM 1119 CA SER A 74 12.589 -3.441 8.457 1.00 0.00 C ATOM 1120 C SER A 74 12.120 -2.212 7.685 1.00 0.00 C ATOM 1121 O SER A 74 12.868 -1.249 7.514 1.00 0.00 O ATOM 1122 CB SER A 74 14.109 -3.399 8.631 1.00 0.00 C ATOM 1123 OG SER A 74 14.571 -4.530 9.349 1.00 0.00 O ATOM 0 H SER A 74 11.682 -5.330 8.359 1.00 0.00 H new ATOM 0 HA SER A 74 12.118 -3.433 9.440 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.589 -3.364 7.653 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.393 -2.488 9.159 1.00 0.00 H new ATOM 0 HG SER A 74 15.545 -4.481 9.445 1.00 0.00 H new ATOM 1129 N PHE A 75 10.875 -2.252 7.221 1.00 0.00 N ATOM 1130 CA PHE A 75 10.305 -1.142 6.466 1.00 0.00 C ATOM 1131 C PHE A 75 9.712 -0.094 7.403 1.00 0.00 C ATOM 1132 O PHE A 75 8.715 -0.345 8.081 1.00 0.00 O ATOM 1133 CB PHE A 75 9.228 -1.652 5.506 1.00 0.00 C ATOM 1134 CG PHE A 75 9.769 -2.084 4.173 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.478 -1.198 3.378 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.569 -3.376 3.715 1.00 0.00 C ATOM 1137 CE1 PHE A 75 10.976 -1.593 2.150 1.00 0.00 C ATOM 1138 CE2 PHE A 75 10.066 -3.777 2.489 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.771 -2.884 1.706 1.00 0.00 C ATOM 0 H PHE A 75 10.242 -3.041 7.355 1.00 0.00 H new ATOM 0 HA PHE A 75 11.105 -0.677 5.890 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.709 -2.492 5.968 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.489 -0.866 5.352 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.644 -0.187 3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.018 -4.078 4.323 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.525 -0.892 1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.903 -4.787 2.144 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.161 -3.195 0.748 1.00 0.00 H new ATOM 1149 N ARG A 76 10.333 1.080 7.436 1.00 0.00 N ATOM 1150 CA ARG A 76 9.869 2.166 8.291 1.00 0.00 C ATOM 1151 C ARG A 76 8.561 2.750 7.766 1.00 0.00 C ATOM 1152 O ARG A 76 8.423 3.017 6.572 1.00 0.00 O ATOM 1153 CB ARG A 76 10.931 3.264 8.379 1.00 0.00 C ATOM 1154 CG ARG A 76 10.851 4.088 9.654 1.00 0.00 C ATOM 1155 CD ARG A 76 12.208 4.659 10.034 1.00 0.00 C ATOM 1156 NE ARG A 76 12.548 5.836 9.241 1.00 0.00 N ATOM 1157 CZ ARG A 76 13.406 6.769 9.640 1.00 0.00 C ATOM 1158 NH1 ARG A 76 14.008 6.660 10.816 1.00 0.00 N ATOM 1159 NH2 ARG A 76 13.665 7.811 8.861 1.00 0.00 N ATOM 0 H ARG A 76 11.159 1.304 6.881 1.00 0.00 H new ATOM 0 HA ARG A 76 9.692 1.760 9.287 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.919 2.808 8.312 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.827 3.928 7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.138 4.901 9.519 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.476 3.467 10.467 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.207 4.923 11.092 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.974 3.896 9.896 1.00 0.00 H new ATOM 0 HE ARG A 76 12.103 5.949 8.330 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.813 5.859 11.416 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.666 7.377 11.120 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.205 7.897 7.955 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.324 8.526 9.169 1.00 0.00 H new ATOM 1173 N PHE A 77 7.603 2.946 8.666 1.00 0.00 N ATOM 1174 CA PHE A 77 6.305 3.497 8.293 1.00 0.00 C ATOM 1175 C PHE A 77 5.674 4.243 9.465 1.00 0.00 C ATOM 1176 O PHE A 77 5.981 3.970 10.626 1.00 0.00 O ATOM 1177 CB PHE A 77 5.370 2.382 7.821 1.00 0.00 C ATOM 1178 CG PHE A 77 5.086 1.351 8.876 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.115 0.612 9.437 1.00 0.00 C ATOM 1180 CD2 PHE A 77 3.789 1.121 9.307 1.00 0.00 C ATOM 1181 CE1 PHE A 77 5.857 -0.337 10.408 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.525 0.174 10.278 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.560 -0.557 10.829 1.00 0.00 C ATOM 0 H PHE A 77 7.701 2.732 9.658 1.00 0.00 H new ATOM 0 HA PHE A 77 6.459 4.202 7.476 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.429 2.823 7.492 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.812 1.891 6.954 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.131 0.780 9.112 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.976 1.688 8.879 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.669 -0.906 10.837 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.510 0.005 10.606 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.355 -1.299 11.587 1.00 0.00 H new ATOM 1193 N SER A 78 4.791 5.186 9.153 1.00 0.00 N ATOM 1194 CA SER A 78 4.120 5.975 10.179 1.00 0.00 C ATOM 1195 C SER A 78 2.615 6.018 9.932 1.00 0.00 C ATOM 1196 O SER A 78 2.162 5.997 8.789 1.00 0.00 O ATOM 1197 CB SER A 78 4.684 7.396 10.210 1.00 0.00 C ATOM 1198 OG SER A 78 5.895 7.448 10.945 1.00 0.00 O ATOM 0 H SER A 78 4.524 5.422 8.197 1.00 0.00 H new ATOM 0 HA SER A 78 4.299 5.500 11.144 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.858 7.744 9.192 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.954 8.071 10.657 1.00 0.00 H new ATOM 0 HG SER A 78 6.236 8.367 10.949 1.00 0.00 H new ATOM 1204 N GLU A 79 1.846 6.080 11.015 1.00 0.00 N ATOM 1205 CA GLU A 79 0.391 6.125 10.917 1.00 0.00 C ATOM 1206 C GLU A 79 -0.120 7.554 11.079 1.00 0.00 C ATOM 1207 O GLU A 79 -0.162 8.087 12.188 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.242 5.222 11.976 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.734 5.007 11.780 1.00 0.00 C ATOM 1210 CD GLU A 79 -2.266 3.839 12.588 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -2.632 4.050 13.764 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -2.317 2.716 12.046 1.00 0.00 O ATOM 0 H GLU A 79 2.206 6.100 11.969 1.00 0.00 H new ATOM 0 HA GLU A 79 0.107 5.765 9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.261 4.255 11.964 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.072 5.657 12.961 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.268 5.914 12.064 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.937 4.835 10.723 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.507 8.167 9.965 1.00 0.00 N ATOM 1220 CA ILE A 80 -1.016 9.533 9.984 1.00 0.00 C ATOM 1221 C ILE A 80 -2.541 9.551 9.990 1.00 0.00 C ATOM 1222 O ILE A 80 -3.160 10.464 10.537 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.509 10.339 8.773 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.674 9.527 7.487 1.00 0.00 C ATOM 1225 CG2 ILE A 80 0.946 10.735 8.973 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.420 10.329 6.229 1.00 0.00 C ATOM 0 H ILE A 80 -0.478 7.740 9.039 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.646 9.996 10.899 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.104 11.248 8.685 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.010 8.679 7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.685 9.120 7.451 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.290 11.304 8.109 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.036 11.347 9.870 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.555 9.838 9.083 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.555 9.690 5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.122 11.162 6.181 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.600 10.714 6.243 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.142 8.536 9.378 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.595 8.433 9.314 1.00 0.00 C ATOM 1240 C LYS A 81 -5.064 7.065 9.800 1.00 0.00 C ATOM 1241 O LYS A 81 -4.347 6.068 9.712 1.00 0.00 O ATOM 1242 CB LYS A 81 -5.081 8.672 7.883 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.387 9.831 7.190 1.00 0.00 C ATOM 1244 CD LYS A 81 -5.297 10.500 6.174 1.00 0.00 C ATOM 1245 CE LYS A 81 -5.279 9.767 4.841 1.00 0.00 C ATOM 1246 NZ LYS A 81 -4.039 10.054 4.067 1.00 0.00 N ATOM 0 H LYS A 81 -2.645 7.773 8.919 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.018 9.196 9.967 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.925 7.765 7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.155 8.860 7.900 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.070 10.563 7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.487 9.472 6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.316 10.529 6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.982 11.533 6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.358 8.694 5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.150 10.059 4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.283 10.581 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.391 10.622 4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.577 9.159 3.807 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.298 7.014 10.324 1.00 0.00 N ATOM 1261 CA PRO A 82 -6.891 5.773 10.832 1.00 0.00 C ATOM 1262 C PRO A 82 -7.218 4.787 9.716 1.00 0.00 C ATOM 1263 O PRO A 82 -7.773 3.717 9.962 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.174 6.249 11.519 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.519 7.526 10.834 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.208 8.163 10.461 1.00 0.00 C ATOM 0 HA PRO A 82 -6.211 5.237 11.493 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.974 5.516 11.416 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.018 6.402 12.587 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.129 7.342 9.950 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.097 8.177 11.490 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.285 8.727 9.532 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.866 8.857 11.228 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.869 5.155 8.487 1.00 0.00 N ATOM 1275 CA GLY A 83 -7.134 4.291 7.351 1.00 0.00 C ATOM 1276 C GLY A 83 -6.065 4.396 6.281 1.00 0.00 C ATOM 1277 O GLY A 83 -6.312 4.088 5.115 1.00 0.00 O ATOM 0 H GLY A 83 -6.408 6.035 8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.202 3.258 7.692 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.102 4.549 6.920 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.874 4.832 6.678 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.764 4.979 5.744 1.00 0.00 C ATOM 1283 C CYS A 84 -2.444 4.592 6.403 1.00 0.00 C ATOM 1284 O CYS A 84 -2.313 4.637 7.627 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.689 6.418 5.230 1.00 0.00 C ATOM 1286 SG CYS A 84 -2.916 6.582 3.604 1.00 0.00 S ATOM 0 H CYS A 84 -4.653 5.090 7.640 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.939 4.309 4.902 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.698 6.829 5.184 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.132 7.020 5.948 1.00 0.00 H new ATOM 0 HG CYS A 84 -1.641 6.351 3.705 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.469 4.212 5.585 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.159 3.815 6.088 1.00 0.00 C ATOM 1294 C LEU A 85 0.955 4.375 5.209 1.00 0.00 C ATOM 1295 O LEU A 85 1.038 4.063 4.020 1.00 0.00 O ATOM 1296 CB LEU A 85 -0.056 2.290 6.153 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.716 1.624 7.360 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.773 0.116 7.172 1.00 0.00 C ATOM 1299 CD2 LEU A 85 0.031 1.976 8.638 1.00 0.00 C ATOM 0 H LEU A 85 -1.561 4.170 4.570 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.044 4.224 7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.500 1.877 5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.999 2.016 6.144 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.736 1.998 7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.246 -0.341 8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.352 -0.118 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.238 -0.275 7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.453 1.493 9.487 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.062 1.631 8.564 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.020 3.057 8.780 1.00 0.00 H new ATOM 1311 N LYS A 86 1.810 5.201 5.801 1.00 0.00 N ATOM 1312 CA LYS A 86 2.922 5.803 5.073 1.00 0.00 C ATOM 1313 C LYS A 86 4.185 4.959 5.216 1.00 0.00 C ATOM 1314 O LYS A 86 4.672 4.735 6.324 1.00 0.00 O ATOM 1315 CB LYS A 86 3.183 7.222 5.582 1.00 0.00 C ATOM 1316 CG LYS A 86 3.772 8.146 4.531 1.00 0.00 C ATOM 1317 CD LYS A 86 4.086 9.517 5.106 1.00 0.00 C ATOM 1318 CE LYS A 86 4.271 10.554 4.009 1.00 0.00 C ATOM 1319 NZ LYS A 86 2.966 11.051 3.490 1.00 0.00 N ATOM 0 H LYS A 86 1.755 5.470 6.783 1.00 0.00 H new ATOM 0 HA LYS A 86 2.653 5.847 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.247 7.647 5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.862 7.174 6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.682 7.704 4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.071 8.250 3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.279 9.828 5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.991 9.460 5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.851 11.392 4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.845 10.119 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.011 11.128 2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.211 10.387 3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.763 11.986 3.898 1.00 0.00 H new ATOM 1333 N VAL A 87 4.712 4.495 4.087 1.00 0.00 N ATOM 1334 CA VAL A 87 5.920 3.679 4.086 1.00 0.00 C ATOM 1335 C VAL A 87 7.062 4.388 3.367 1.00 0.00 C ATOM 1336 O VAL A 87 6.850 5.066 2.362 1.00 0.00 O ATOM 1337 CB VAL A 87 5.674 2.314 3.416 1.00 0.00 C ATOM 1338 CG1 VAL A 87 6.919 1.444 3.504 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.481 1.616 4.051 1.00 0.00 C ATOM 0 H VAL A 87 4.321 4.671 3.161 1.00 0.00 H new ATOM 0 HA VAL A 87 6.195 3.519 5.129 1.00 0.00 H new ATOM 0 HB VAL A 87 5.450 2.481 2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.726 0.484 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.747 1.942 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.177 1.283 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.322 0.653 3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.674 1.460 5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.591 2.234 3.931 1.00 0.00 H new ATOM 1349 N MET A 88 8.273 4.226 3.888 1.00 0.00 N ATOM 1350 CA MET A 88 9.450 4.850 3.294 1.00 0.00 C ATOM 1351 C MET A 88 10.145 3.893 2.331 1.00 0.00 C ATOM 1352 O MET A 88 10.695 2.871 2.744 1.00 0.00 O ATOM 1353 CB MET A 88 10.426 5.291 4.386 1.00 0.00 C ATOM 1354 CG MET A 88 9.792 6.173 5.449 1.00 0.00 C ATOM 1355 SD MET A 88 10.963 7.333 6.180 1.00 0.00 S ATOM 1356 CE MET A 88 10.905 8.669 4.988 1.00 0.00 C ATOM 0 H MET A 88 8.466 3.668 4.720 1.00 0.00 H new ATOM 0 HA MET A 88 9.122 5.726 2.734 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.847 4.407 4.864 1.00 0.00 H new ATOM 0 HB3 MET A 88 11.254 5.830 3.925 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.964 6.728 5.008 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.372 5.544 6.234 1.00 0.00 H new ATOM 0 HE1 MET A 88 11.579 9.466 5.302 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.212 8.298 4.010 1.00 0.00 H new ATOM 0 HE3 MET A 88 9.888 9.057 4.926 1.00 0.00 H new ATOM 1366 N LEU A 89 10.115 4.229 1.046 1.00 0.00 N ATOM 1367 CA LEU A 89 10.742 3.399 0.023 1.00 0.00 C ATOM 1368 C LEU A 89 12.253 3.335 0.224 1.00 0.00 C ATOM 1369 O LEU A 89 12.914 4.363 0.374 1.00 0.00 O ATOM 1370 CB LEU A 89 10.424 3.944 -1.370 1.00 0.00 C ATOM 1371 CG LEU A 89 8.941 4.036 -1.733 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.770 4.545 -3.155 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.266 2.682 -1.564 1.00 0.00 C ATOM 0 H LEU A 89 9.663 5.070 0.688 1.00 0.00 H new ATOM 0 HA LEU A 89 10.339 2.390 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.861 4.939 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.919 3.312 -2.107 1.00 0.00 H new ATOM 0 HG LEU A 89 8.464 4.745 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.708 4.604 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.217 5.535 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.261 3.862 -3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.211 2.766 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.745 1.952 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.357 2.357 -0.528 1.00 0.00 H new