USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 506 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 33 GLN :FLIP amide:sc= 0.334 F(o=-0.0037,f=0.73) USER MOD Set 1.2: A 36 GLN : amide:sc= 0.393 K(o=0.73,f=-0.34) USER MOD Single : A 17 ASN : amide:sc= -0.0814 X(o=-0.081,f=-0.053) USER MOD Single : A 23 CYS SG : rot 54:sc= -7.46! USER MOD Single : A 24 HIS : no HD1:sc= -0.614 K(o=-0.61,f=-1.6) USER MOD Single : A 25 GLN : amide:sc= -0.696 X(o=-0.7,f=-0.93!) USER MOD Single : A 28 HIS : no HD1:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0874 USER MOD Single : A 37 ASN : amide:sc= -0.0125 X(o=-0.013,f=-0.048) USER MOD Single : A 39 MET CE :methyl 161:sc= -1.09 (180deg=-2.04) USER MOD Single : A 41 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=-0.017) USER MOD Single : A 45 GLN : amide:sc= -0.0338 X(o=-0.034,f=-0.4) USER MOD Single : A 46 GLN : amide:sc= -0.194 K(o=-0.19,f=-2.8!) USER MOD Single : A 52 ASN : amide:sc= -0.256 K(o=-0.26,f=-2.2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -173:sc= -1.86 (180deg=-2.02) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 12 -4.087 -0.590 8.293 1.00 0.00 N ATOM 115 CA PRO A 12 -3.761 -1.651 7.355 1.00 0.00 C ATOM 116 C PRO A 12 -4.998 -2.084 6.565 1.00 0.00 C ATOM 117 O PRO A 12 -5.025 -1.976 5.340 1.00 0.00 O ATOM 118 CB PRO A 12 -3.181 -2.766 8.209 1.00 0.00 C ATOM 119 CG PRO A 12 -3.631 -2.478 9.632 1.00 0.00 C ATOM 120 CD PRO A 12 -4.155 -1.052 9.676 1.00 0.00 C ATOM 0 HA PRO A 12 -3.046 -1.336 6.595 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.539 -3.740 7.876 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.093 -2.786 8.140 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.408 -3.180 9.936 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.801 -2.601 10.327 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.176 -1.017 10.056 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.549 -0.427 10.333 1.00 0.00 H new ATOM 128 N VAL A 13 -5.991 -2.564 7.299 1.00 0.00 N ATOM 129 CA VAL A 13 -7.228 -3.013 6.682 1.00 0.00 C ATOM 130 C VAL A 13 -7.667 -1.994 5.629 1.00 0.00 C ATOM 131 O VAL A 13 -7.859 -2.342 4.465 1.00 0.00 O ATOM 132 CB VAL A 13 -8.289 -3.259 7.756 1.00 0.00 C ATOM 133 CG1 VAL A 13 -8.433 -2.042 8.673 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.632 -3.632 7.125 1.00 0.00 C ATOM 0 H VAL A 13 -5.964 -2.652 8.315 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.077 -3.964 6.170 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.960 -4.101 8.365 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.193 -2.243 9.428 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.480 -1.841 9.163 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.728 -1.174 8.083 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.368 -3.802 7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.969 -2.820 6.481 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.516 -4.540 6.534 1.00 0.00 H new ATOM 144 N GLU A 14 -7.815 -0.755 6.076 1.00 0.00 N ATOM 145 CA GLU A 14 -8.228 0.317 5.187 1.00 0.00 C ATOM 146 C GLU A 14 -7.471 0.228 3.860 1.00 0.00 C ATOM 147 O GLU A 14 -8.082 0.151 2.796 1.00 0.00 O ATOM 148 CB GLU A 14 -8.025 1.683 5.844 1.00 0.00 C ATOM 149 CG GLU A 14 -9.368 2.335 6.181 1.00 0.00 C ATOM 150 CD GLU A 14 -9.696 3.456 5.192 1.00 0.00 C ATOM 151 OE1 GLU A 14 -9.022 4.505 5.280 1.00 0.00 O ATOM 152 OE2 GLU A 14 -10.614 3.239 4.372 1.00 0.00 O ATOM 0 H GLU A 14 -7.656 -0.470 7.042 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.293 0.204 4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.434 1.569 6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.460 2.332 5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.157 1.583 6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.338 2.736 7.194 1.00 0.00 H new ATOM 159 N ILE A 15 -6.150 0.243 3.968 1.00 0.00 N ATOM 160 CA ILE A 15 -5.303 0.165 2.790 1.00 0.00 C ATOM 161 C ILE A 15 -5.790 -0.972 1.890 1.00 0.00 C ATOM 162 O ILE A 15 -6.077 -0.758 0.714 1.00 0.00 O ATOM 163 CB ILE A 15 -3.832 0.041 3.195 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.365 1.288 3.949 1.00 0.00 C ATOM 165 CG2 ILE A 15 -2.952 -0.258 1.980 1.00 0.00 C ATOM 166 CD1 ILE A 15 -2.136 0.981 4.808 1.00 0.00 C ATOM 0 H ILE A 15 -5.646 0.308 4.853 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.374 1.084 2.209 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.735 -0.803 3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.128 2.080 3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.172 1.659 4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.912 -0.341 2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.269 -1.196 1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.047 0.550 1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.824 1.884 5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.384 0.206 5.534 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.323 0.634 4.170 1.00 0.00 H new ATOM 178 N GLU A 16 -5.869 -2.157 2.478 1.00 0.00 N ATOM 179 CA GLU A 16 -6.317 -3.328 1.744 1.00 0.00 C ATOM 180 C GLU A 16 -7.643 -3.037 1.038 1.00 0.00 C ATOM 181 O GLU A 16 -7.724 -3.097 -0.188 1.00 0.00 O ATOM 182 CB GLU A 16 -6.443 -4.540 2.670 1.00 0.00 C ATOM 183 CG GLU A 16 -5.112 -4.841 3.363 1.00 0.00 C ATOM 184 CD GLU A 16 -4.757 -6.325 3.248 1.00 0.00 C ATOM 185 OE1 GLU A 16 -5.447 -7.127 3.913 1.00 0.00 O ATOM 186 OE2 GLU A 16 -3.804 -6.623 2.496 1.00 0.00 O ATOM 0 H GLU A 16 -5.630 -2.331 3.454 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.570 -3.566 0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.213 -4.352 3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.763 -5.409 2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.321 -4.239 2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.173 -4.558 4.414 1.00 0.00 H new ATOM 193 N ASN A 17 -8.649 -2.729 1.843 1.00 0.00 N ATOM 194 CA ASN A 17 -9.968 -2.428 1.310 1.00 0.00 C ATOM 195 C ASN A 17 -9.821 -1.585 0.042 1.00 0.00 C ATOM 196 O ASN A 17 -10.448 -1.874 -0.976 1.00 0.00 O ATOM 197 CB ASN A 17 -10.799 -1.629 2.316 1.00 0.00 C ATOM 198 CG ASN A 17 -11.839 -2.520 2.998 1.00 0.00 C ATOM 199 OD1 ASN A 17 -12.721 -3.081 2.369 1.00 0.00 O ATOM 200 ND2 ASN A 17 -11.687 -2.617 4.315 1.00 0.00 N ATOM 0 H ASN A 17 -8.578 -2.681 2.859 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.469 -3.372 1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.143 -1.189 3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.299 -0.805 1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.331 -3.188 4.862 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.926 -2.120 4.779 1.00 0.00 H new ATOM 207 N ARG A 18 -8.989 -0.559 0.145 1.00 0.00 N ATOM 208 CA ARG A 18 -8.752 0.329 -0.981 1.00 0.00 C ATOM 209 C ARG A 18 -8.387 -0.481 -2.227 1.00 0.00 C ATOM 210 O ARG A 18 -8.979 -0.293 -3.288 1.00 0.00 O ATOM 211 CB ARG A 18 -7.625 1.317 -0.675 1.00 0.00 C ATOM 212 CG ARG A 18 -8.127 2.760 -0.747 1.00 0.00 C ATOM 213 CD ARG A 18 -8.798 3.041 -2.093 1.00 0.00 C ATOM 214 NE ARG A 18 -8.700 4.482 -2.417 1.00 0.00 N ATOM 215 CZ ARG A 18 -9.379 5.443 -1.777 1.00 0.00 C ATOM 216 NH1 ARG A 18 -10.209 5.124 -0.774 1.00 0.00 N ATOM 217 NH2 ARG A 18 -9.228 6.724 -2.139 1.00 0.00 N ATOM 0 H ARG A 18 -8.470 -0.323 0.991 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.670 0.888 -1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.221 1.118 0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.810 1.176 -1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.835 2.943 0.061 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.293 3.447 -0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.322 2.451 -2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.845 2.738 -2.057 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.077 4.761 -3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.324 4.149 -0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.726 5.856 -0.287 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.596 6.967 -2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.745 7.456 -1.652 1.00 0.00 H new ATOM 231 N ILE A 19 -7.414 -1.364 -2.056 1.00 0.00 N ATOM 232 CA ILE A 19 -6.964 -2.203 -3.154 1.00 0.00 C ATOM 233 C ILE A 19 -8.149 -3.001 -3.700 1.00 0.00 C ATOM 234 O ILE A 19 -8.323 -3.109 -4.912 1.00 0.00 O ATOM 235 CB ILE A 19 -5.786 -3.074 -2.714 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.530 -2.228 -2.495 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.545 -4.212 -3.707 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.635 -2.844 -1.416 1.00 0.00 C ATOM 0 H ILE A 19 -6.925 -1.517 -1.174 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.589 -1.590 -3.973 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.037 -3.530 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.975 -2.146 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.814 -1.217 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.702 -4.816 -3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.437 -4.836 -3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.324 -3.796 -4.690 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.749 -2.223 -1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.185 -2.902 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.333 -3.845 -1.722 1.00 0.00 H new ATOM 250 N ILE A 20 -8.934 -3.539 -2.778 1.00 0.00 N ATOM 251 CA ILE A 20 -10.098 -4.324 -3.152 1.00 0.00 C ATOM 252 C ILE A 20 -10.965 -3.515 -4.118 1.00 0.00 C ATOM 253 O ILE A 20 -11.178 -3.925 -5.258 1.00 0.00 O ATOM 254 CB ILE A 20 -10.847 -4.799 -1.905 1.00 0.00 C ATOM 255 CG1 ILE A 20 -9.900 -5.507 -0.933 1.00 0.00 C ATOM 256 CG2 ILE A 20 -12.041 -5.677 -2.284 1.00 0.00 C ATOM 257 CD1 ILE A 20 -8.952 -6.448 -1.678 1.00 0.00 C ATOM 0 H ILE A 20 -8.787 -3.447 -1.773 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.794 -5.229 -3.678 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.242 -3.924 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.322 -4.767 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.479 -6.072 -0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.556 -6.001 -1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.729 -5.106 -2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.690 -6.550 -2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.290 -6.938 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.532 -7.201 -2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.357 -5.876 -2.390 1.00 0.00 H new ATOM 269 N GLU A 21 -11.441 -2.380 -3.628 1.00 0.00 N ATOM 270 CA GLU A 21 -12.279 -1.510 -4.435 1.00 0.00 C ATOM 271 C GLU A 21 -11.663 -1.316 -5.822 1.00 0.00 C ATOM 272 O GLU A 21 -12.380 -1.242 -6.818 1.00 0.00 O ATOM 273 CB GLU A 21 -12.501 -0.165 -3.740 1.00 0.00 C ATOM 274 CG GLU A 21 -13.835 -0.148 -2.992 1.00 0.00 C ATOM 275 CD GLU A 21 -14.542 1.199 -3.161 1.00 0.00 C ATOM 276 OE1 GLU A 21 -14.834 1.544 -4.326 1.00 0.00 O ATOM 277 OE2 GLU A 21 -14.773 1.853 -2.121 1.00 0.00 O ATOM 0 H GLU A 21 -11.262 -2.043 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.253 -1.985 -4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.686 0.026 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.484 0.637 -4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.475 -0.948 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.665 -0.343 -1.933 1.00 0.00 H new ATOM 284 N LEU A 22 -10.341 -1.238 -5.841 1.00 0.00 N ATOM 285 CA LEU A 22 -9.620 -1.054 -7.089 1.00 0.00 C ATOM 286 C LEU A 22 -9.647 -2.359 -7.886 1.00 0.00 C ATOM 287 O LEU A 22 -10.098 -2.383 -9.031 1.00 0.00 O ATOM 288 CB LEU A 22 -8.210 -0.526 -6.821 1.00 0.00 C ATOM 289 CG LEU A 22 -7.992 0.967 -7.076 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.240 1.617 -5.913 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.288 1.198 -8.415 1.00 0.00 C ATOM 0 H LEU A 22 -9.750 -1.299 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.108 -0.296 -7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.956 -0.738 -5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.510 -1.086 -7.441 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.968 1.449 -7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.098 2.678 -6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.817 1.500 -4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.268 1.137 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.145 2.267 -8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.318 0.700 -8.407 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.898 0.792 -9.222 1.00 0.00 H new ATOM 303 N CYS A 23 -9.160 -3.414 -7.250 1.00 0.00 N ATOM 304 CA CYS A 23 -9.122 -4.720 -7.885 1.00 0.00 C ATOM 305 C CYS A 23 -10.502 -5.004 -8.481 1.00 0.00 C ATOM 306 O CYS A 23 -10.619 -5.732 -9.466 1.00 0.00 O ATOM 307 CB CYS A 23 -8.687 -5.813 -6.907 1.00 0.00 C ATOM 308 SG CYS A 23 -7.055 -5.398 -6.190 1.00 0.00 S ATOM 0 H CYS A 23 -8.788 -3.391 -6.301 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.377 -4.719 -8.680 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.426 -5.917 -6.113 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.634 -6.773 -7.421 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.102 -4.211 -5.663 1.00 0.00 H new ATOM 314 N HIS A 24 -11.513 -4.415 -7.860 1.00 0.00 N ATOM 315 CA HIS A 24 -12.880 -4.595 -8.316 1.00 0.00 C ATOM 316 C HIS A 24 -13.171 -3.624 -9.462 1.00 0.00 C ATOM 317 O HIS A 24 -13.750 -4.010 -10.477 1.00 0.00 O ATOM 318 CB HIS A 24 -13.865 -4.453 -7.154 1.00 0.00 C ATOM 319 CG HIS A 24 -14.490 -5.755 -6.715 1.00 0.00 C ATOM 320 ND1 HIS A 24 -14.735 -6.801 -7.588 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.915 -6.171 -5.488 1.00 0.00 C ATOM 322 CE1 HIS A 24 -15.285 -7.795 -6.907 1.00 0.00 C ATOM 323 NE2 HIS A 24 -15.396 -7.403 -5.605 1.00 0.00 N ATOM 0 H HIS A 24 -11.412 -3.812 -7.044 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.007 -5.607 -8.702 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.347 -4.006 -6.305 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -14.656 -3.762 -7.445 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.868 -5.596 -4.575 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.592 -8.748 -7.311 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -15.784 -7.964 -4.847 1.00 0.00 H new ATOM 331 N GLN A 25 -12.756 -2.381 -9.262 1.00 0.00 N ATOM 332 CA GLN A 25 -12.965 -1.352 -10.265 1.00 0.00 C ATOM 333 C GLN A 25 -12.340 -1.774 -11.597 1.00 0.00 C ATOM 334 O GLN A 25 -12.813 -1.379 -12.661 1.00 0.00 O ATOM 335 CB GLN A 25 -12.403 -0.008 -9.797 1.00 0.00 C ATOM 336 CG GLN A 25 -13.509 0.879 -9.223 1.00 0.00 C ATOM 337 CD GLN A 25 -14.642 1.066 -10.234 1.00 0.00 C ATOM 338 OE1 GLN A 25 -15.659 0.393 -10.197 1.00 0.00 O ATOM 339 NE2 GLN A 25 -14.411 2.016 -11.135 1.00 0.00 N ATOM 0 H GLN A 25 -12.276 -2.064 -8.420 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.038 -1.228 -10.412 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.636 -0.174 -9.041 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.922 0.500 -10.633 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.902 0.432 -8.310 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.096 1.850 -8.950 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.538 2.542 -11.109 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -15.107 2.219 -11.852 1.00 0.00 H new ATOM 348 N PHE A 26 -11.287 -2.570 -11.493 1.00 0.00 N ATOM 349 CA PHE A 26 -10.592 -3.050 -12.676 1.00 0.00 C ATOM 350 C PHE A 26 -10.641 -4.577 -12.759 1.00 0.00 C ATOM 351 O PHE A 26 -9.964 -5.266 -11.997 1.00 0.00 O ATOM 352 CB PHE A 26 -9.134 -2.605 -12.550 1.00 0.00 C ATOM 353 CG PHE A 26 -8.945 -1.086 -12.554 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.178 -0.370 -11.421 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.544 -0.454 -13.689 1.00 0.00 C ATOM 356 CE1 PHE A 26 -9.002 1.040 -11.425 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.369 0.956 -13.692 1.00 0.00 C ATOM 358 CZ PHE A 26 -8.601 1.672 -12.560 1.00 0.00 C ATOM 0 H PHE A 26 -10.898 -2.895 -10.608 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.064 -2.649 -13.573 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.720 -3.010 -11.627 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.561 -3.034 -13.372 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.496 -0.873 -10.520 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.359 -1.023 -14.588 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.187 1.610 -10.526 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.052 1.459 -14.594 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.467 2.744 -12.562 1.00 0.00 H new ATOM 368 N PRO A 27 -11.471 -5.074 -13.715 1.00 0.00 N ATOM 369 CA PRO A 27 -11.617 -6.507 -13.908 1.00 0.00 C ATOM 370 C PRO A 27 -10.393 -7.093 -14.615 1.00 0.00 C ATOM 371 O PRO A 27 -10.253 -8.311 -14.714 1.00 0.00 O ATOM 372 CB PRO A 27 -12.899 -6.668 -14.708 1.00 0.00 C ATOM 373 CG PRO A 27 -13.175 -5.309 -15.330 1.00 0.00 C ATOM 374 CD PRO A 27 -12.288 -4.289 -14.635 1.00 0.00 C ATOM 0 HA PRO A 27 -11.679 -7.054 -12.967 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.787 -7.433 -15.476 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.724 -6.979 -14.066 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.967 -5.330 -16.400 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.226 -5.043 -15.215 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.669 -3.749 -15.352 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.881 -3.546 -14.102 1.00 0.00 H new ATOM 382 N HIS A 28 -9.539 -6.198 -15.089 1.00 0.00 N ATOM 383 CA HIS A 28 -8.332 -6.611 -15.784 1.00 0.00 C ATOM 384 C HIS A 28 -7.146 -6.580 -14.818 1.00 0.00 C ATOM 385 O HIS A 28 -6.277 -7.449 -14.867 1.00 0.00 O ATOM 386 CB HIS A 28 -8.103 -5.754 -17.031 1.00 0.00 C ATOM 387 CG HIS A 28 -9.301 -5.668 -17.946 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.413 -6.413 -19.107 1.00 0.00 N ATOM 389 CD2 HIS A 28 -10.438 -4.920 -17.857 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.568 -6.117 -19.685 1.00 0.00 C ATOM 391 NE2 HIS A 28 -11.202 -5.191 -18.909 1.00 0.00 N ATOM 0 H HIS A 28 -9.659 -5.189 -15.005 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.444 -7.637 -16.134 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.823 -4.747 -16.721 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.261 -6.162 -17.590 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.677 -4.225 -17.065 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.942 -6.535 -20.608 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -12.113 -4.775 -19.105 1.00 0.00 H new ATOM 399 N GLY A 29 -7.149 -5.570 -13.961 1.00 0.00 N ATOM 400 CA GLY A 29 -6.085 -5.414 -12.984 1.00 0.00 C ATOM 401 C GLY A 29 -5.645 -3.952 -12.881 1.00 0.00 C ATOM 402 O GLY A 29 -6.245 -3.074 -13.499 1.00 0.00 O ATOM 0 H GLY A 29 -7.872 -4.851 -13.923 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.427 -5.764 -12.010 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.234 -6.035 -13.265 1.00 0.00 H new ATOM 406 N ILE A 30 -4.600 -3.736 -12.096 1.00 0.00 N ATOM 407 CA ILE A 30 -4.072 -2.396 -11.904 1.00 0.00 C ATOM 408 C ILE A 30 -2.545 -2.457 -11.847 1.00 0.00 C ATOM 409 O ILE A 30 -1.964 -3.541 -11.830 1.00 0.00 O ATOM 410 CB ILE A 30 -4.708 -1.740 -10.676 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.225 -2.407 -9.387 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.234 -1.738 -10.784 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.064 -1.957 -8.189 1.00 0.00 C ATOM 0 H ILE A 30 -4.104 -4.467 -11.585 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.334 -1.759 -12.749 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.387 -0.699 -10.640 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.284 -3.491 -9.490 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.177 -2.159 -9.216 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.661 -1.266 -9.899 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.535 -1.182 -11.672 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.595 -2.764 -10.858 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.700 -2.446 -7.285 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.984 -0.876 -8.074 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.107 -2.228 -8.353 1.00 0.00 H new ATOM 425 N THR A 31 -1.938 -1.279 -11.819 1.00 0.00 N ATOM 426 CA THR A 31 -0.489 -1.185 -11.764 1.00 0.00 C ATOM 427 C THR A 31 -0.055 -0.312 -10.585 1.00 0.00 C ATOM 428 O THR A 31 -0.764 0.619 -10.205 1.00 0.00 O ATOM 429 CB THR A 31 0.003 -0.668 -13.117 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.597 0.619 -13.236 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.576 -1.459 -14.292 1.00 0.00 C ATOM 0 H THR A 31 -2.423 -0.382 -11.833 1.00 0.00 H new ATOM 0 HA THR A 31 -0.036 -2.161 -11.589 1.00 0.00 H new ATOM 0 HB THR A 31 1.092 -0.715 -13.149 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.329 1.027 -14.086 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.195 -1.051 -15.228 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.283 -2.505 -14.206 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.663 -1.385 -14.280 1.00 0.00 H new ATOM 439 N ASP A 32 1.106 -0.643 -10.040 1.00 0.00 N ATOM 440 CA ASP A 32 1.642 0.100 -8.913 1.00 0.00 C ATOM 441 C ASP A 32 1.393 1.594 -9.127 1.00 0.00 C ATOM 442 O ASP A 32 1.121 2.325 -8.175 1.00 0.00 O ATOM 443 CB ASP A 32 3.151 -0.113 -8.780 1.00 0.00 C ATOM 444 CG ASP A 32 4.008 0.707 -9.747 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.878 0.464 -10.966 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.774 1.558 -9.244 1.00 0.00 O ATOM 0 H ASP A 32 1.691 -1.416 -10.358 1.00 0.00 H new ATOM 0 HA ASP A 32 1.146 -0.255 -8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.448 0.129 -7.760 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.368 -1.170 -8.933 1.00 0.00 H new ATOM 451 N GLN A 33 1.496 2.005 -10.383 1.00 0.00 N ATOM 452 CA GLN A 33 1.285 3.399 -10.734 1.00 0.00 C ATOM 453 C GLN A 33 -0.123 3.841 -10.331 1.00 0.00 C ATOM 454 O GLN A 33 -0.286 4.809 -9.591 1.00 0.00 O ATOM 455 CB GLN A 33 1.527 3.630 -12.227 1.00 0.00 C ATOM 456 CG GLN A 33 2.857 4.349 -12.462 1.00 0.00 C ATOM 457 CD GLN A 33 2.726 5.848 -12.187 1.00 0.00 C ATOM 458 OE1 GLN A 33 2.373 6.564 -13.251 1.00 0.00 O flip ATOM 459 NE2 GLN A 33 2.933 6.323 -11.083 1.00 0.00 N flip ATOM 0 H GLN A 33 1.723 1.397 -11.170 1.00 0.00 H new ATOM 0 HA GLN A 33 2.005 4.005 -10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.529 2.674 -12.751 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.711 4.221 -12.644 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.624 3.923 -11.815 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.183 4.191 -13.490 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.201 5.716 -10.309 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.838 7.328 -10.934 1.00 0.00 H new ATOM 468 N VAL A 34 -1.106 3.109 -10.837 1.00 0.00 N ATOM 469 CA VAL A 34 -2.495 3.414 -10.539 1.00 0.00 C ATOM 470 C VAL A 34 -2.646 3.670 -9.038 1.00 0.00 C ATOM 471 O VAL A 34 -2.922 4.794 -8.622 1.00 0.00 O ATOM 472 CB VAL A 34 -3.398 2.288 -11.048 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.786 2.369 -10.410 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.494 2.310 -12.574 1.00 0.00 C ATOM 0 H VAL A 34 -0.968 2.306 -11.451 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.807 4.322 -11.056 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.949 1.339 -10.755 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.408 1.558 -10.788 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.694 2.281 -9.327 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.246 3.325 -10.659 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.141 1.500 -12.910 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.909 3.264 -12.899 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.500 2.182 -13.003 1.00 0.00 H new ATOM 484 N ILE A 35 -2.459 2.609 -8.268 1.00 0.00 N ATOM 485 CA ILE A 35 -2.571 2.704 -6.822 1.00 0.00 C ATOM 486 C ILE A 35 -1.789 3.925 -6.334 1.00 0.00 C ATOM 487 O ILE A 35 -2.092 4.480 -5.279 1.00 0.00 O ATOM 488 CB ILE A 35 -2.138 1.393 -6.163 1.00 0.00 C ATOM 489 CG1 ILE A 35 -3.048 0.239 -6.589 1.00 0.00 C ATOM 490 CG2 ILE A 35 -2.072 1.540 -4.642 1.00 0.00 C ATOM 491 CD1 ILE A 35 -2.274 -1.080 -6.635 1.00 0.00 C ATOM 0 H ILE A 35 -2.231 1.678 -8.618 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.611 2.852 -6.530 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.132 1.153 -6.507 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.881 0.152 -5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.474 0.450 -7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.762 0.594 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.352 2.316 -4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.055 1.815 -4.260 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.943 -1.884 -6.940 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.456 -0.997 -7.351 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.870 -1.300 -5.647 1.00 0.00 H new ATOM 503 N GLN A 36 -0.798 4.308 -7.125 1.00 0.00 N ATOM 504 CA GLN A 36 0.030 5.454 -6.787 1.00 0.00 C ATOM 505 C GLN A 36 -0.767 6.750 -6.945 1.00 0.00 C ATOM 506 O GLN A 36 -0.822 7.565 -6.025 1.00 0.00 O ATOM 507 CB GLN A 36 1.300 5.484 -7.640 1.00 0.00 C ATOM 508 CG GLN A 36 2.515 5.883 -6.801 1.00 0.00 C ATOM 509 CD GLN A 36 3.776 5.959 -7.664 1.00 0.00 C ATOM 510 OE1 GLN A 36 4.016 5.137 -8.533 1.00 0.00 O ATOM 511 NE2 GLN A 36 4.566 6.991 -7.378 1.00 0.00 N ATOM 0 H GLN A 36 -0.549 3.845 -7.999 1.00 0.00 H new ATOM 0 HA GLN A 36 0.334 5.362 -5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.467 4.503 -8.084 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.174 6.189 -8.462 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.334 6.849 -6.329 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.662 5.159 -5.999 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.306 7.643 -6.638 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.432 7.130 -7.899 1.00 0.00 H new ATOM 520 N ASN A 37 -1.366 6.900 -8.117 1.00 0.00 N ATOM 521 CA ASN A 37 -2.157 8.084 -8.407 1.00 0.00 C ATOM 522 C ASN A 37 -3.458 8.032 -7.602 1.00 0.00 C ATOM 523 O ASN A 37 -4.096 9.059 -7.379 1.00 0.00 O ATOM 524 CB ASN A 37 -2.522 8.153 -9.891 1.00 0.00 C ATOM 525 CG ASN A 37 -1.953 9.417 -10.537 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.151 10.527 -10.071 1.00 0.00 O ATOM 527 ND2 ASN A 37 -1.237 9.188 -11.635 1.00 0.00 N ATOM 0 H ASN A 37 -1.320 6.221 -8.877 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.564 8.959 -8.141 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.137 7.272 -10.405 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.606 8.139 -10.004 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.815 9.967 -12.140 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.110 8.233 -11.971 1.00 0.00 H new ATOM 534 N GLU A 38 -3.812 6.824 -7.188 1.00 0.00 N ATOM 535 CA GLU A 38 -5.024 6.624 -6.413 1.00 0.00 C ATOM 536 C GLU A 38 -4.747 6.850 -4.925 1.00 0.00 C ATOM 537 O GLU A 38 -5.475 7.583 -4.258 1.00 0.00 O ATOM 538 CB GLU A 38 -5.608 5.231 -6.656 1.00 0.00 C ATOM 539 CG GLU A 38 -5.978 5.042 -8.129 1.00 0.00 C ATOM 540 CD GLU A 38 -7.263 5.798 -8.472 1.00 0.00 C ATOM 541 OE1 GLU A 38 -8.241 5.630 -7.712 1.00 0.00 O ATOM 542 OE2 GLU A 38 -7.239 6.526 -9.488 1.00 0.00 O ATOM 0 H GLU A 38 -3.280 5.974 -7.375 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.764 7.354 -6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.884 4.472 -6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.492 5.090 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.164 5.396 -8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.108 3.981 -8.342 1.00 0.00 H new ATOM 549 N MET A 39 -3.691 6.206 -4.448 1.00 0.00 N ATOM 550 CA MET A 39 -3.308 6.327 -3.052 1.00 0.00 C ATOM 551 C MET A 39 -1.812 6.617 -2.917 1.00 0.00 C ATOM 552 O MET A 39 -1.053 5.775 -2.441 1.00 0.00 O ATOM 553 CB MET A 39 -3.645 5.029 -2.315 1.00 0.00 C ATOM 554 CG MET A 39 -5.093 4.610 -2.579 1.00 0.00 C ATOM 555 SD MET A 39 -5.138 2.949 -3.232 1.00 0.00 S ATOM 556 CE MET A 39 -4.433 2.056 -1.858 1.00 0.00 C ATOM 0 H MET A 39 -3.089 5.599 -5.004 1.00 0.00 H new ATOM 0 HA MET A 39 -3.861 7.158 -2.614 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.969 4.237 -2.637 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.491 5.164 -1.244 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.670 4.662 -1.655 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.557 5.300 -3.284 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.688 0.999 -1.942 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.349 2.170 -1.868 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.831 2.452 -0.924 1.00 0.00 H new ATOM 566 N PRO A 40 -1.423 7.845 -3.356 1.00 0.00 N ATOM 567 CA PRO A 40 -0.031 8.256 -3.288 1.00 0.00 C ATOM 568 C PRO A 40 0.369 8.604 -1.853 1.00 0.00 C ATOM 569 O PRO A 40 1.528 8.918 -1.587 1.00 0.00 O ATOM 570 CB PRO A 40 0.076 9.438 -4.238 1.00 0.00 C ATOM 571 CG PRO A 40 -1.345 9.936 -4.446 1.00 0.00 C ATOM 572 CD PRO A 40 -2.294 8.868 -3.925 1.00 0.00 C ATOM 0 HA PRO A 40 0.657 7.463 -3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.707 10.221 -3.817 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.527 9.139 -5.184 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.501 10.876 -3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.531 10.130 -5.502 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.972 9.273 -3.174 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.911 8.462 -4.726 1.00 0.00 H new ATOM 580 N HIS A 41 -0.613 8.538 -0.966 1.00 0.00 N ATOM 581 CA HIS A 41 -0.378 8.842 0.435 1.00 0.00 C ATOM 582 C HIS A 41 -0.046 7.554 1.191 1.00 0.00 C ATOM 583 O HIS A 41 -0.055 7.532 2.421 1.00 0.00 O ATOM 584 CB HIS A 41 -1.569 9.592 1.035 1.00 0.00 C ATOM 585 CG HIS A 41 -2.852 8.796 1.048 1.00 0.00 C ATOM 586 ND1 HIS A 41 -3.832 8.937 0.081 1.00 0.00 N ATOM 587 CD2 HIS A 41 -3.305 7.849 1.920 1.00 0.00 C ATOM 588 CE1 HIS A 41 -4.825 8.109 0.368 1.00 0.00 C ATOM 589 NE2 HIS A 41 -4.497 7.436 1.508 1.00 0.00 N ATOM 0 H HIS A 41 -1.573 8.278 -1.191 1.00 0.00 H new ATOM 0 HA HIS A 41 0.480 9.508 0.528 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -1.324 9.884 2.056 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -1.729 10.510 0.470 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -2.782 7.496 2.797 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.735 7.988 -0.201 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -5.073 6.731 1.968 1.00 0.00 H new ATOM 597 N ILE A 42 0.240 6.513 0.424 1.00 0.00 N ATOM 598 CA ILE A 42 0.575 5.224 1.005 1.00 0.00 C ATOM 599 C ILE A 42 2.095 5.053 1.015 1.00 0.00 C ATOM 600 O ILE A 42 2.795 5.637 0.189 1.00 0.00 O ATOM 601 CB ILE A 42 -0.166 4.099 0.279 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.666 4.391 0.201 1.00 0.00 C ATOM 603 CG2 ILE A 42 0.121 2.744 0.929 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.365 4.021 1.510 1.00 0.00 C ATOM 0 H ILE A 42 0.247 6.536 -0.596 1.00 0.00 H new ATOM 0 HA ILE A 42 0.242 5.176 2.042 1.00 0.00 H new ATOM 0 HB ILE A 42 0.206 4.050 -0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.824 5.448 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.107 3.829 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.418 1.962 0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.191 2.540 0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.205 2.763 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.430 4.238 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.226 2.958 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.938 4.602 2.327 1.00 0.00 H new ATOM 616 N GLU A 43 2.562 4.249 1.960 1.00 0.00 N ATOM 617 CA GLU A 43 3.987 3.994 2.088 1.00 0.00 C ATOM 618 C GLU A 43 4.419 2.893 1.117 1.00 0.00 C ATOM 619 O GLU A 43 3.605 2.064 0.712 1.00 0.00 O ATOM 620 CB GLU A 43 4.351 3.629 3.528 1.00 0.00 C ATOM 621 CG GLU A 43 4.328 4.865 4.430 1.00 0.00 C ATOM 622 CD GLU A 43 5.673 5.055 5.134 1.00 0.00 C ATOM 623 OE1 GLU A 43 6.688 4.622 4.546 1.00 0.00 O ATOM 624 OE2 GLU A 43 5.656 5.630 6.244 1.00 0.00 O ATOM 0 H GLU A 43 1.979 3.766 2.644 1.00 0.00 H new ATOM 0 HA GLU A 43 4.524 4.907 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.650 2.885 3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.342 3.175 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.096 5.749 3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.536 4.763 5.172 1.00 0.00 H new ATOM 631 N ALA A 44 5.697 2.920 0.772 1.00 0.00 N ATOM 632 CA ALA A 44 6.247 1.935 -0.143 1.00 0.00 C ATOM 633 C ALA A 44 6.090 0.539 0.463 1.00 0.00 C ATOM 634 O ALA A 44 5.948 -0.445 -0.262 1.00 0.00 O ATOM 635 CB ALA A 44 7.706 2.278 -0.448 1.00 0.00 C ATOM 0 H ALA A 44 6.369 3.609 1.110 1.00 0.00 H new ATOM 0 HA ALA A 44 5.706 1.947 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.118 1.538 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.760 3.266 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.282 2.274 0.477 1.00 0.00 H new ATOM 641 N GLN A 45 6.121 0.496 1.787 1.00 0.00 N ATOM 642 CA GLN A 45 5.984 -0.763 2.499 1.00 0.00 C ATOM 643 C GLN A 45 4.507 -1.080 2.737 1.00 0.00 C ATOM 644 O GLN A 45 4.072 -2.214 2.538 1.00 0.00 O ATOM 645 CB GLN A 45 6.758 -0.733 3.818 1.00 0.00 C ATOM 646 CG GLN A 45 8.107 -1.441 3.679 1.00 0.00 C ATOM 647 CD GLN A 45 9.100 -0.940 4.730 1.00 0.00 C ATOM 648 OE1 GLN A 45 9.266 0.249 4.948 1.00 0.00 O ATOM 649 NE2 GLN A 45 9.750 -1.911 5.366 1.00 0.00 N ATOM 0 H GLN A 45 6.239 1.313 2.385 1.00 0.00 H new ATOM 0 HA GLN A 45 6.410 -1.555 1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.916 0.300 4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.170 -1.214 4.600 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.970 -2.517 3.787 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.511 -1.269 2.681 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.563 -2.887 5.134 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.435 -1.680 6.085 1.00 0.00 H new ATOM 658 N GLN A 46 3.775 -0.059 3.158 1.00 0.00 N ATOM 659 CA GLN A 46 2.355 -0.215 3.425 1.00 0.00 C ATOM 660 C GLN A 46 1.627 -0.687 2.165 1.00 0.00 C ATOM 661 O GLN A 46 0.719 -1.513 2.241 1.00 0.00 O ATOM 662 CB GLN A 46 1.750 1.087 3.953 1.00 0.00 C ATOM 663 CG GLN A 46 2.338 1.451 5.318 1.00 0.00 C ATOM 664 CD GLN A 46 1.607 0.717 6.443 1.00 0.00 C ATOM 665 OE1 GLN A 46 1.498 -0.498 6.460 1.00 0.00 O ATOM 666 NE2 GLN A 46 1.112 1.521 7.381 1.00 0.00 N ATOM 0 H GLN A 46 4.139 0.880 3.321 1.00 0.00 H new ATOM 0 HA GLN A 46 2.232 -0.974 4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.939 1.894 3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.668 0.982 4.035 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.398 1.196 5.341 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.265 2.527 5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.239 2.530 7.306 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.606 1.128 8.175 1.00 0.00 H new ATOM 675 N ARG A 47 2.052 -0.141 1.035 1.00 0.00 N ATOM 676 CA ARG A 47 1.452 -0.495 -0.240 1.00 0.00 C ATOM 677 C ARG A 47 1.711 -1.969 -0.557 1.00 0.00 C ATOM 678 O ARG A 47 0.804 -2.686 -0.977 1.00 0.00 O ATOM 679 CB ARG A 47 2.012 0.369 -1.372 1.00 0.00 C ATOM 680 CG ARG A 47 0.960 1.358 -1.878 1.00 0.00 C ATOM 681 CD ARG A 47 1.159 1.658 -3.365 1.00 0.00 C ATOM 682 NE ARG A 47 1.880 2.939 -3.531 1.00 0.00 N ATOM 683 CZ ARG A 47 3.213 3.064 -3.480 1.00 0.00 C ATOM 684 NH1 ARG A 47 3.979 1.985 -3.267 1.00 0.00 N ATOM 685 NH2 ARG A 47 3.781 4.267 -3.641 1.00 0.00 N ATOM 0 H ARG A 47 2.805 0.544 0.976 1.00 0.00 H new ATOM 0 HA ARG A 47 0.379 -0.319 -0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.888 0.913 -1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.341 -0.269 -2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.037 0.948 -1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.021 2.284 -1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.721 0.851 -3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.193 1.707 -3.867 1.00 0.00 H new ATOM 0 HE ARG A 47 1.327 3.780 -3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.547 1.069 -3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.994 2.080 -3.228 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.198 5.089 -3.803 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.796 4.361 -3.602 1.00 0.00 H new ATOM 699 N ALA A 48 2.953 -2.378 -0.344 1.00 0.00 N ATOM 700 CA ALA A 48 3.343 -3.753 -0.602 1.00 0.00 C ATOM 701 C ALA A 48 2.688 -4.668 0.435 1.00 0.00 C ATOM 702 O ALA A 48 2.133 -5.709 0.087 1.00 0.00 O ATOM 703 CB ALA A 48 4.869 -3.862 -0.593 1.00 0.00 C ATOM 0 H ALA A 48 3.703 -1.781 0.005 1.00 0.00 H new ATOM 0 HA ALA A 48 2.999 -4.070 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.161 -4.894 -0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.284 -3.216 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.250 -3.554 0.381 1.00 0.00 H new ATOM 709 N VAL A 49 2.773 -4.245 1.688 1.00 0.00 N ATOM 710 CA VAL A 49 2.195 -5.013 2.778 1.00 0.00 C ATOM 711 C VAL A 49 0.792 -5.478 2.381 1.00 0.00 C ATOM 712 O VAL A 49 0.562 -6.670 2.185 1.00 0.00 O ATOM 713 CB VAL A 49 2.209 -4.186 4.065 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.122 -4.659 5.032 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.587 -4.226 4.728 1.00 0.00 C ATOM 0 H VAL A 49 3.233 -3.380 1.973 1.00 0.00 H new ATOM 0 HA VAL A 49 2.790 -5.905 2.974 1.00 0.00 H new ATOM 0 HB VAL A 49 1.995 -3.151 3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.154 -4.055 5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.145 -4.555 4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.292 -5.705 5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.569 -3.630 5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.843 -5.257 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.332 -3.820 4.044 1.00 0.00 H new ATOM 725 N ALA A 50 -0.108 -4.512 2.273 1.00 0.00 N ATOM 726 CA ALA A 50 -1.482 -4.807 1.903 1.00 0.00 C ATOM 727 C ALA A 50 -1.489 -5.769 0.714 1.00 0.00 C ATOM 728 O ALA A 50 -2.199 -6.773 0.728 1.00 0.00 O ATOM 729 CB ALA A 50 -2.221 -3.502 1.602 1.00 0.00 C ATOM 0 H ALA A 50 0.087 -3.524 2.435 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.005 -5.295 2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.252 -3.723 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.212 -2.866 2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.727 -2.985 0.779 1.00 0.00 H new ATOM 735 N ILE A 51 -0.691 -5.428 -0.287 1.00 0.00 N ATOM 736 CA ILE A 51 -0.597 -6.250 -1.482 1.00 0.00 C ATOM 737 C ILE A 51 -0.252 -7.686 -1.083 1.00 0.00 C ATOM 738 O ILE A 51 -1.032 -8.606 -1.325 1.00 0.00 O ATOM 739 CB ILE A 51 0.388 -5.635 -2.479 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.237 -4.439 -3.201 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.906 -6.689 -3.459 1.00 0.00 C ATOM 742 CD1 ILE A 51 0.840 -3.561 -3.840 1.00 0.00 C ATOM 0 H ILE A 51 -0.104 -4.594 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.557 -6.284 -1.997 1.00 0.00 H new ATOM 0 HB ILE A 51 1.248 -5.262 -1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.926 -4.792 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.821 -3.848 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.604 -6.226 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.415 -7.480 -2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.069 -7.114 -4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.369 -2.718 -4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.513 -3.190 -3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.407 -4.148 -4.563 1.00 0.00 H new ATOM 754 N ASN A 52 0.917 -7.833 -0.478 1.00 0.00 N ATOM 755 CA ASN A 52 1.375 -9.142 -0.042 1.00 0.00 C ATOM 756 C ASN A 52 0.239 -9.857 0.691 1.00 0.00 C ATOM 757 O ASN A 52 -0.031 -11.029 0.433 1.00 0.00 O ATOM 758 CB ASN A 52 2.557 -9.019 0.921 1.00 0.00 C ATOM 759 CG ASN A 52 3.650 -10.034 0.581 1.00 0.00 C ATOM 760 OD1 ASN A 52 3.467 -10.936 -0.220 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.793 -9.838 1.232 1.00 0.00 N ATOM 0 H ASN A 52 1.561 -7.068 -0.279 1.00 0.00 H new ATOM 0 HA ASN A 52 1.686 -9.702 -0.924 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.966 -8.010 0.873 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.215 -9.177 1.944 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.584 -10.463 1.074 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.879 -9.063 1.889 1.00 0.00 H new ATOM 768 N ARG A 53 -0.397 -9.121 1.592 1.00 0.00 N ATOM 769 CA ARG A 53 -1.498 -9.670 2.365 1.00 0.00 C ATOM 770 C ARG A 53 -2.587 -10.203 1.432 1.00 0.00 C ATOM 771 O ARG A 53 -2.902 -11.392 1.455 1.00 0.00 O ATOM 772 CB ARG A 53 -2.102 -8.613 3.291 1.00 0.00 C ATOM 773 CG ARG A 53 -1.669 -8.842 4.740 1.00 0.00 C ATOM 774 CD ARG A 53 -0.572 -7.857 5.148 1.00 0.00 C ATOM 775 NE ARG A 53 0.760 -8.460 4.920 1.00 0.00 N ATOM 776 CZ ARG A 53 1.289 -9.423 5.687 1.00 0.00 C ATOM 777 NH1 ARG A 53 0.603 -9.898 6.735 1.00 0.00 N ATOM 778 NH2 ARG A 53 2.505 -9.912 5.405 1.00 0.00 N ATOM 0 H ARG A 53 -0.170 -8.149 1.803 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.103 -10.485 2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.790 -7.620 2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.189 -8.644 3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.528 -8.730 5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.307 -9.863 4.858 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.667 -6.936 4.573 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.684 -7.590 6.199 1.00 0.00 H new ATOM 0 HE ARG A 53 1.309 -8.122 4.130 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.322 -9.527 6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.006 -10.631 7.319 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.027 -9.551 4.607 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.908 -10.645 5.989 1.00 0.00 H new ATOM 792 N LEU A 54 -3.133 -9.298 0.633 1.00 0.00 N ATOM 793 CA LEU A 54 -4.180 -9.662 -0.306 1.00 0.00 C ATOM 794 C LEU A 54 -3.699 -10.828 -1.172 1.00 0.00 C ATOM 795 O LEU A 54 -4.443 -11.779 -1.407 1.00 0.00 O ATOM 796 CB LEU A 54 -4.626 -8.441 -1.112 1.00 0.00 C ATOM 797 CG LEU A 54 -5.169 -7.263 -0.300 1.00 0.00 C ATOM 798 CD1 LEU A 54 -5.776 -6.199 -1.216 1.00 0.00 C ATOM 799 CD2 LEU A 54 -6.163 -7.741 0.761 1.00 0.00 C ATOM 0 H LEU A 54 -2.870 -8.313 0.617 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.067 -10.004 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.779 -8.090 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.396 -8.757 -1.816 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.336 -6.797 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.154 -5.373 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.012 -5.829 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.595 -6.636 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.534 -6.885 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.998 -8.246 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.666 -8.434 1.440 1.00 0.00 H new ATOM 811 N LEU A 55 -2.459 -10.717 -1.624 1.00 0.00 N ATOM 812 CA LEU A 55 -1.870 -11.750 -2.459 1.00 0.00 C ATOM 813 C LEU A 55 -2.068 -13.113 -1.792 1.00 0.00 C ATOM 814 O LEU A 55 -2.578 -14.044 -2.413 1.00 0.00 O ATOM 815 CB LEU A 55 -0.408 -11.422 -2.766 1.00 0.00 C ATOM 816 CG LEU A 55 -0.170 -10.271 -3.746 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.323 -9.968 -3.884 1.00 0.00 C ATOM 818 CD2 LEU A 55 -0.824 -10.558 -5.098 1.00 0.00 C ATOM 0 H LEU A 55 -1.845 -9.927 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.373 -11.791 -3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.095 -11.185 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.068 -12.317 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.644 -9.376 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.464 -9.146 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.729 -9.688 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.841 -10.853 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.640 -9.724 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.401 -11.469 -5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.898 -10.685 -4.963 1.00 0.00 H new ATOM 830 N SER A 56 -1.653 -13.187 -0.535 1.00 0.00 N ATOM 831 CA SER A 56 -1.779 -14.420 0.223 1.00 0.00 C ATOM 832 C SER A 56 -3.247 -14.675 0.568 1.00 0.00 C ATOM 833 O SER A 56 -3.801 -15.714 0.211 1.00 0.00 O ATOM 834 CB SER A 56 -0.934 -14.371 1.497 1.00 0.00 C ATOM 835 OG SER A 56 -0.576 -15.674 1.951 1.00 0.00 O ATOM 0 H SER A 56 -1.229 -12.413 -0.023 1.00 0.00 H new ATOM 0 HA SER A 56 -1.411 -15.240 -0.393 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.030 -13.791 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.488 -13.854 2.280 1.00 0.00 H new ATOM 0 HG SER A 56 -0.036 -15.600 2.765 1.00 0.00 H new ATOM 841 N MET A 57 -3.836 -13.710 1.259 1.00 0.00 N ATOM 842 CA MET A 57 -5.229 -13.817 1.657 1.00 0.00 C ATOM 843 C MET A 57 -6.076 -14.414 0.531 1.00 0.00 C ATOM 844 O MET A 57 -7.090 -15.062 0.789 1.00 0.00 O ATOM 845 CB MET A 57 -5.765 -12.430 2.018 1.00 0.00 C ATOM 846 CG MET A 57 -5.058 -11.875 3.257 1.00 0.00 C ATOM 847 SD MET A 57 -6.259 -11.447 4.505 1.00 0.00 S ATOM 848 CE MET A 57 -5.986 -9.686 4.607 1.00 0.00 C ATOM 0 H MET A 57 -3.373 -12.850 1.553 1.00 0.00 H new ATOM 0 HA MET A 57 -5.291 -14.477 2.522 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.621 -11.751 1.178 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.838 -12.487 2.202 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.361 -12.615 3.650 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.472 -10.996 2.988 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.569 -9.275 5.431 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.927 -9.491 4.779 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.295 -9.215 3.674 1.00 0.00 H new ATOM 858 N GLY A 58 -5.630 -14.175 -0.693 1.00 0.00 N ATOM 859 CA GLY A 58 -6.334 -14.681 -1.859 1.00 0.00 C ATOM 860 C GLY A 58 -7.398 -13.688 -2.330 1.00 0.00 C ATOM 861 O GLY A 58 -8.322 -14.059 -3.053 1.00 0.00 O ATOM 0 H GLY A 58 -4.789 -13.637 -0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.624 -14.868 -2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.803 -15.635 -1.620 1.00 0.00 H new ATOM 865 N GLN A 59 -7.233 -12.445 -1.902 1.00 0.00 N ATOM 866 CA GLN A 59 -8.168 -11.396 -2.271 1.00 0.00 C ATOM 867 C GLN A 59 -7.653 -10.630 -3.491 1.00 0.00 C ATOM 868 O GLN A 59 -8.430 -10.005 -4.210 1.00 0.00 O ATOM 869 CB GLN A 59 -8.422 -10.449 -1.097 1.00 0.00 C ATOM 870 CG GLN A 59 -8.958 -11.212 0.117 1.00 0.00 C ATOM 871 CD GLN A 59 -10.429 -10.876 0.369 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.318 -11.269 -0.368 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.635 -10.128 1.450 1.00 0.00 N ATOM 0 H GLN A 59 -6.465 -12.141 -1.303 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.119 -11.861 -2.533 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.497 -9.938 -0.830 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.137 -9.681 -1.393 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.849 -12.284 -0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.368 -10.961 0.998 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.845 -9.833 2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.583 -9.850 1.705 1.00 0.00 H new ATOM 882 N LEU A 60 -6.344 -10.705 -3.687 1.00 0.00 N ATOM 883 CA LEU A 60 -5.715 -10.027 -4.808 1.00 0.00 C ATOM 884 C LEU A 60 -5.040 -11.061 -5.710 1.00 0.00 C ATOM 885 O LEU A 60 -4.593 -12.105 -5.238 1.00 0.00 O ATOM 886 CB LEU A 60 -4.768 -8.934 -4.309 1.00 0.00 C ATOM 887 CG LEU A 60 -3.953 -8.211 -5.384 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.869 -7.591 -6.441 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.017 -7.175 -4.758 1.00 0.00 C ATOM 0 H LEU A 60 -5.702 -11.225 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.464 -9.516 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.354 -8.193 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.076 -9.379 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.327 -8.946 -5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.265 -7.083 -7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.458 -8.375 -6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.537 -6.872 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.450 -6.676 -5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.604 -6.438 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.329 -7.672 -4.074 1.00 0.00 H new ATOM 901 N ASP A 61 -4.988 -10.735 -6.994 1.00 0.00 N ATOM 902 CA ASP A 61 -4.375 -11.622 -7.967 1.00 0.00 C ATOM 903 C ASP A 61 -3.227 -10.891 -8.666 1.00 0.00 C ATOM 904 O ASP A 61 -3.439 -9.858 -9.300 1.00 0.00 O ATOM 905 CB ASP A 61 -5.383 -12.050 -9.035 1.00 0.00 C ATOM 906 CG ASP A 61 -5.675 -13.551 -9.085 1.00 0.00 C ATOM 907 OD1 ASP A 61 -4.965 -14.291 -8.371 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.602 -13.924 -9.837 1.00 0.00 O ATOM 0 H ASP A 61 -5.361 -9.869 -7.382 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.014 -12.504 -7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.319 -11.519 -8.863 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.012 -11.735 -10.010 1.00 0.00 H new ATOM 913 N LEU A 62 -2.037 -11.455 -8.528 1.00 0.00 N ATOM 914 CA LEU A 62 -0.855 -10.870 -9.139 1.00 0.00 C ATOM 915 C LEU A 62 -0.696 -11.416 -10.559 1.00 0.00 C ATOM 916 O LEU A 62 -0.560 -12.623 -10.752 1.00 0.00 O ATOM 917 CB LEU A 62 0.372 -11.093 -8.253 1.00 0.00 C ATOM 918 CG LEU A 62 1.379 -9.942 -8.200 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.684 -10.385 -7.534 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.617 -9.356 -9.593 1.00 0.00 C ATOM 0 H LEU A 62 -1.865 -12.312 -8.002 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.966 -9.789 -9.224 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.030 -11.298 -7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.890 -11.987 -8.602 1.00 0.00 H new ATOM 0 HG LEU A 62 0.957 -9.148 -7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.382 -9.548 -7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.479 -10.717 -6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.122 -11.206 -8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.337 -8.540 -9.526 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.008 -10.131 -10.252 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.677 -8.979 -9.994 1.00 0.00 H new ATOM 932 N LEU A 63 -0.719 -10.501 -11.517 1.00 0.00 N ATOM 933 CA LEU A 63 -0.579 -10.876 -12.913 1.00 0.00 C ATOM 934 C LEU A 63 0.675 -10.218 -13.491 1.00 0.00 C ATOM 935 O LEU A 63 0.693 -9.012 -13.732 1.00 0.00 O ATOM 936 CB LEU A 63 -1.858 -10.547 -13.687 1.00 0.00 C ATOM 937 CG LEU A 63 -2.535 -11.723 -14.395 1.00 0.00 C ATOM 938 CD1 LEU A 63 -4.057 -11.628 -14.282 1.00 0.00 C ATOM 939 CD2 LEU A 63 -2.073 -11.826 -15.850 1.00 0.00 C ATOM 0 H LEU A 63 -0.833 -9.501 -11.353 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.445 -11.954 -13.006 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.574 -10.104 -12.995 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.623 -9.787 -14.432 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.232 -12.643 -13.895 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.513 -12.476 -14.793 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.345 -11.640 -13.231 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.399 -10.700 -14.741 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.569 -12.670 -16.330 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.327 -10.907 -16.378 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.994 -11.975 -15.879 1.00 0.00 H new ATOM 951 N ARG A 64 1.695 -11.039 -13.696 1.00 0.00 N ATOM 952 CA ARG A 64 2.951 -10.552 -14.240 1.00 0.00 C ATOM 953 C ARG A 64 2.814 -10.297 -15.743 1.00 0.00 C ATOM 954 O ARG A 64 2.762 -11.238 -16.533 1.00 0.00 O ATOM 955 CB ARG A 64 4.081 -11.554 -14.000 1.00 0.00 C ATOM 956 CG ARG A 64 4.757 -11.305 -12.651 1.00 0.00 C ATOM 957 CD ARG A 64 5.306 -12.608 -12.064 1.00 0.00 C ATOM 958 NE ARG A 64 6.296 -12.309 -11.005 1.00 0.00 N ATOM 959 CZ ARG A 64 7.132 -13.215 -10.482 1.00 0.00 C ATOM 960 NH1 ARG A 64 7.104 -14.482 -10.915 1.00 0.00 N ATOM 961 NH2 ARG A 64 7.998 -12.853 -9.524 1.00 0.00 N ATOM 0 H ARG A 64 1.677 -12.039 -13.495 1.00 0.00 H new ATOM 0 HA ARG A 64 3.194 -9.620 -13.730 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.684 -12.569 -14.030 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.817 -11.476 -14.800 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.568 -10.587 -12.774 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.042 -10.863 -11.958 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.491 -13.203 -11.653 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.771 -13.203 -12.850 1.00 0.00 H new ATOM 0 HE ARG A 64 6.344 -11.353 -10.652 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.446 -14.757 -11.644 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.741 -15.171 -10.516 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.020 -11.888 -9.194 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.635 -13.543 -9.125 1.00 0.00 H new ATOM 975 N SER A 65 2.761 -9.020 -16.091 1.00 0.00 N ATOM 976 CA SER A 65 2.632 -8.629 -17.485 1.00 0.00 C ATOM 977 C SER A 65 3.424 -7.346 -17.745 1.00 0.00 C ATOM 978 O SER A 65 3.354 -6.400 -16.961 1.00 0.00 O ATOM 979 CB SER A 65 1.164 -8.434 -17.869 1.00 0.00 C ATOM 980 OG SER A 65 0.680 -9.495 -18.687 1.00 0.00 O ATOM 0 H SER A 65 2.805 -8.243 -15.432 1.00 0.00 H new ATOM 0 HA SER A 65 3.038 -9.430 -18.103 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.559 -8.368 -16.965 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.050 -7.488 -18.398 1.00 0.00 H new ATOM 0 HG SER A 65 -0.261 -9.334 -18.909 1.00 0.00 H new ATOM 1021 N LEU A 69 4.329 -5.477 -12.461 1.00 0.00 N ATOM 1022 CA LEU A 69 3.317 -6.508 -12.300 1.00 0.00 C ATOM 1023 C LEU A 69 1.934 -5.855 -12.243 1.00 0.00 C ATOM 1024 O LEU A 69 1.823 -4.644 -12.057 1.00 0.00 O ATOM 1025 CB LEU A 69 3.633 -7.385 -11.087 1.00 0.00 C ATOM 1026 CG LEU A 69 5.116 -7.656 -10.824 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.295 -8.739 -9.758 1.00 0.00 C ATOM 1028 CD2 LEU A 69 5.848 -8.003 -12.122 1.00 0.00 C ATOM 0 HA LEU A 69 3.318 -7.180 -13.159 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.208 -6.913 -10.201 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.126 -8.342 -11.213 1.00 0.00 H new ATOM 0 HG LEU A 69 5.566 -6.743 -10.434 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.358 -8.912 -9.590 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.829 -8.414 -8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.826 -9.663 -10.096 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.900 -8.191 -11.907 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.403 -8.895 -12.564 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.763 -7.171 -12.821 1.00 0.00 H new ATOM 1040 N LEU A 70 0.915 -6.685 -12.407 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.455 -6.204 -12.376 1.00 0.00 C ATOM 1042 C LEU A 70 -1.210 -6.900 -11.242 1.00 0.00 C ATOM 1043 O LEU A 70 -0.908 -8.041 -10.899 1.00 0.00 O ATOM 1044 CB LEU A 70 -1.113 -6.372 -13.747 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.622 -6.125 -13.802 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -3.003 -5.335 -15.055 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.397 -7.440 -13.695 1.00 0.00 C ATOM 0 H LEU A 70 1.011 -7.689 -12.562 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.479 -5.135 -12.166 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.628 -5.691 -14.447 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.918 -7.385 -14.100 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.900 -5.517 -12.941 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.081 -5.173 -15.069 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.492 -4.372 -15.048 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.708 -5.896 -15.942 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.467 -7.236 -13.737 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.120 -8.094 -14.522 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.157 -7.928 -12.750 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.178 -6.182 -10.691 1.00 0.00 N ATOM 1060 CA TYR A 71 -2.979 -6.716 -9.602 1.00 0.00 C ATOM 1061 C TYR A 71 -4.473 -6.603 -9.914 1.00 0.00 C ATOM 1062 O TYR A 71 -4.989 -5.504 -10.108 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.659 -5.853 -8.380 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.169 -5.551 -8.205 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.258 -6.586 -8.145 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.736 -4.245 -8.106 1.00 0.00 C ATOM 1067 CE1 TYR A 71 1.144 -6.302 -7.980 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.666 -3.961 -7.940 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.537 -5.003 -7.886 1.00 0.00 C ATOM 1070 OH TYR A 71 2.861 -4.735 -7.729 1.00 0.00 O ATOM 0 H TYR A 71 -2.426 -5.235 -10.978 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.753 -7.770 -9.440 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.203 -4.912 -8.460 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.025 -6.358 -7.486 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.597 -7.609 -8.222 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.449 -3.435 -8.153 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.867 -7.102 -7.932 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.017 -2.943 -7.860 1.00 0.00 H new ATOM 0 HH TYR A 71 2.995 -3.766 -7.678 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.125 -7.756 -9.952 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.549 -7.801 -10.237 1.00 0.00 C ATOM 1082 C ARG A 72 -7.288 -8.561 -9.133 1.00 0.00 C ATOM 1083 O ARG A 72 -6.662 -9.112 -8.229 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.821 -8.477 -11.582 1.00 0.00 C ATOM 1085 CG ARG A 72 -7.180 -9.952 -11.392 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.188 -10.692 -12.731 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.713 -12.063 -12.549 1.00 0.00 N ATOM 1088 CZ ARG A 72 -7.482 -13.075 -13.396 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -6.734 -12.875 -14.490 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -7.999 -14.286 -13.150 1.00 0.00 N ATOM 0 H ARG A 72 -4.693 -8.666 -9.790 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.911 -6.774 -10.280 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.636 -7.964 -12.093 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.941 -8.392 -12.220 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.463 -10.420 -10.718 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.160 -10.034 -10.922 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.802 -10.151 -13.451 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.178 -10.732 -13.140 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.287 -12.250 -11.727 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.341 -11.953 -14.677 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.558 -13.645 -15.135 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.569 -14.438 -12.318 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.823 -15.056 -13.795 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.608 -8.565 -9.244 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.438 -9.249 -8.266 1.00 0.00 C ATOM 1106 C ILE A 73 -9.280 -10.761 -8.437 1.00 0.00 C ATOM 1107 O ILE A 73 -9.474 -11.289 -9.531 1.00 0.00 O ATOM 1108 CB ILE A 73 -10.887 -8.767 -8.364 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.282 -7.961 -7.125 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -11.839 -9.940 -8.612 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -10.959 -8.732 -5.843 1.00 0.00 C ATOM 0 H ILE A 73 -9.123 -8.106 -9.995 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.113 -9.007 -7.254 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.968 -8.099 -9.222 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.753 -7.008 -7.123 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.348 -7.735 -7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.862 -9.570 -8.678 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.571 -10.435 -9.546 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.762 -10.651 -7.790 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.250 -8.137 -4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.508 -9.674 -5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.889 -8.936 -5.801 1.00 0.00 H new ATOM 1123 N LYS A 74 -8.928 -11.415 -7.340 1.00 0.00 N ATOM 1124 CA LYS A 74 -8.741 -12.856 -7.355 1.00 0.00 C ATOM 1125 C LYS A 74 -10.075 -13.535 -7.668 1.00 0.00 C ATOM 1126 O LYS A 74 -11.125 -13.094 -7.204 1.00 0.00 O ATOM 1127 CB LYS A 74 -8.104 -13.327 -6.046 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.317 -14.622 -6.254 1.00 0.00 C ATOM 1129 CD LYS A 74 -6.089 -14.671 -5.342 1.00 0.00 C ATOM 1130 CE LYS A 74 -5.767 -16.110 -4.933 1.00 0.00 C ATOM 1131 NZ LYS A 74 -4.304 -16.336 -4.944 1.00 0.00 N ATOM 0 H LYS A 74 -8.767 -10.974 -6.435 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.044 -13.142 -8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.441 -12.552 -5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.879 -13.485 -5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.960 -15.479 -6.051 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.004 -14.698 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.232 -14.235 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.268 -14.068 -4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.164 -16.309 -3.938 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.254 -16.806 -5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.102 -17.317 -4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.934 -16.166 -5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.847 -15.684 -4.275 1.00 0.00 H new