USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 537 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 39 GLN : amide:sc= -1.11 K(o=-4.6,f=-12!) USER MOD Set 1.2: A 89 MET CE :methyl 149:sc= -3.47! (180deg=-5.25!) USER MOD Set 2.1: A 28 SER OG : rot -28:sc= 1.01 USER MOD Set 2.2: A 66 MET CE :methyl 160:sc= -0.0774 (180deg=-0.748) USER MOD Set 3.1: A 20 ASN : amide:sc= 0.697 K(o=-0.76,f=-6.5!) USER MOD Set 3.2: A 21 ASN : amide:sc= -1.46 K(o=-0.76,f=-6.8) USER MOD Single : A 14 GLN : amide:sc= -1.26 X(o=-1.3,f=-0.81) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00886 USER MOD Single : A 41 THR OG1 : rot -73:sc= 0.488 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -12:sc= -2.99 USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= -0.0153 (180deg=-0.246) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.21) USER MOD Single : A 64 GLN : amide:sc= -0.0301 X(o=-0.03,f=0) USER MOD Single : A 86 MET CE :methyl -159:sc= -0.425 (180deg=-0.476) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.574 F(o=-2,f=-0.57) USER MOD Single : A 90 GLN : amide:sc= -1.01 K(o=-1,f=-3.9!) USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= -0.0168 (180deg=-0.137) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N VAL A 9 -6.460 13.246 -1.125 1.00 0.00 N ATOM 127 CA VAL A 9 -5.610 12.181 -0.612 1.00 0.00 C ATOM 128 C VAL A 9 -5.491 12.260 0.905 1.00 0.00 C ATOM 129 O VAL A 9 -5.700 13.316 1.501 1.00 0.00 O ATOM 130 CB VAL A 9 -4.200 12.235 -1.230 1.00 0.00 C ATOM 131 CG1 VAL A 9 -3.524 13.555 -0.897 1.00 0.00 C ATOM 132 CG2 VAL A 9 -3.358 11.061 -0.749 1.00 0.00 C ATOM 0 HA VAL A 9 -6.082 11.239 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.295 12.163 -2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.529 13.576 -1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.117 14.378 -1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.441 13.658 0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.366 11.117 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.269 11.098 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.836 10.126 -1.042 1.00 0.00 H new ATOM 142 N GLY A 10 -5.164 11.133 1.522 1.00 0.00 N ATOM 143 CA GLY A 10 -5.003 11.090 2.956 1.00 0.00 C ATOM 144 C GLY A 10 -3.573 10.791 3.351 1.00 0.00 C ATOM 145 O GLY A 10 -3.149 11.103 4.464 1.00 0.00 O ATOM 0 H GLY A 10 -5.007 10.243 1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.307 12.045 3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.662 10.329 3.373 1.00 0.00 H new ATOM 149 N TRP A 11 -2.820 10.192 2.428 1.00 0.00 N ATOM 150 CA TRP A 11 -1.429 9.868 2.677 1.00 0.00 C ATOM 151 C TRP A 11 -0.596 11.140 2.778 1.00 0.00 C ATOM 152 O TRP A 11 -0.219 11.737 1.769 1.00 0.00 O ATOM 153 CB TRP A 11 -0.885 8.962 1.567 1.00 0.00 C ATOM 154 CG TRP A 11 0.598 8.788 1.622 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.304 8.019 2.502 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.561 9.443 0.796 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.648 8.140 2.255 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.831 9.010 1.210 1.00 0.00 C ATOM 159 CE3 TRP A 11 1.466 10.344 -0.266 1.00 0.00 C ATOM 160 CZ2 TRP A 11 4.002 9.450 0.598 1.00 0.00 C ATOM 161 CZ3 TRP A 11 2.627 10.781 -0.874 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.881 10.333 -0.440 1.00 0.00 C ATOM 0 H TRP A 11 -3.157 9.924 1.503 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.363 9.334 3.625 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.362 7.984 1.639 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.159 9.380 0.599 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.869 7.406 3.278 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.390 7.661 2.765 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.502 10.693 -0.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.970 9.107 0.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.567 11.479 -1.696 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.771 10.692 -0.935 1.00 0.00 H new ATOM 173 N ASP A 12 -0.297 11.529 4.004 1.00 0.00 N ATOM 174 CA ASP A 12 0.505 12.721 4.260 1.00 0.00 C ATOM 175 C ASP A 12 1.999 12.398 4.172 1.00 0.00 C ATOM 176 O ASP A 12 2.482 11.495 4.853 1.00 0.00 O ATOM 177 CB ASP A 12 0.180 13.288 5.644 1.00 0.00 C ATOM 178 CG ASP A 12 0.309 14.797 5.697 1.00 0.00 C ATOM 179 OD1 ASP A 12 -0.675 15.491 5.365 1.00 0.00 O ATOM 180 OD2 ASP A 12 1.395 15.288 6.075 1.00 0.00 O ATOM 0 H ASP A 12 -0.597 11.037 4.845 1.00 0.00 H new ATOM 0 HA ASP A 12 0.263 13.465 3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.835 13.003 5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.848 12.843 6.382 1.00 0.00 H new ATOM 185 N PRO A 13 2.754 13.133 3.333 1.00 0.00 N ATOM 186 CA PRO A 13 4.198 12.912 3.167 1.00 0.00 C ATOM 187 C PRO A 13 4.965 13.080 4.476 1.00 0.00 C ATOM 188 O PRO A 13 5.613 14.102 4.701 1.00 0.00 O ATOM 189 CB PRO A 13 4.621 13.990 2.163 1.00 0.00 C ATOM 190 CG PRO A 13 3.364 14.376 1.461 1.00 0.00 C ATOM 191 CD PRO A 13 2.268 14.228 2.476 1.00 0.00 C ATOM 0 HA PRO A 13 4.413 11.896 2.835 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.070 14.845 2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.363 13.608 1.462 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.420 15.400 1.093 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.186 13.736 0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.116 15.147 3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.315 13.981 2.008 1.00 0.00 H new ATOM 199 N GLN A 14 4.890 12.069 5.336 1.00 0.00 N ATOM 200 CA GLN A 14 5.577 12.102 6.622 1.00 0.00 C ATOM 201 C GLN A 14 5.182 10.906 7.479 1.00 0.00 C ATOM 202 O GLN A 14 6.012 10.052 7.791 1.00 0.00 O ATOM 203 CB GLN A 14 5.255 13.401 7.365 1.00 0.00 C ATOM 204 CG GLN A 14 6.367 14.435 7.295 1.00 0.00 C ATOM 205 CD GLN A 14 5.853 15.825 6.980 1.00 0.00 C ATOM 206 OE1 GLN A 14 5.122 16.423 7.771 1.00 0.00 O ATOM 207 NE2 GLN A 14 6.234 16.349 5.822 1.00 0.00 N ATOM 0 H GLN A 14 4.359 11.215 5.165 1.00 0.00 H new ATOM 0 HA GLN A 14 6.649 12.055 6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.344 13.831 6.949 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.050 13.170 8.410 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.899 14.456 8.246 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.087 14.137 6.533 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.840 15.818 5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.920 17.283 5.557 1.00 0.00 H new ATOM 216 N ASN A 15 3.909 10.851 7.858 1.00 0.00 N ATOM 217 CA ASN A 15 3.401 9.757 8.676 1.00 0.00 C ATOM 218 C ASN A 15 3.404 8.449 7.892 1.00 0.00 C ATOM 219 O ASN A 15 3.938 7.439 8.351 1.00 0.00 O ATOM 220 CB ASN A 15 1.985 10.071 9.160 1.00 0.00 C ATOM 221 CG ASN A 15 1.967 10.627 10.570 1.00 0.00 C ATOM 222 OD1 ASN A 15 1.344 10.059 11.466 1.00 0.00 O ATOM 223 ND2 ASN A 15 2.654 11.746 10.771 1.00 0.00 N ATOM 0 H ASN A 15 3.211 11.552 7.611 1.00 0.00 H new ATOM 0 HA ASN A 15 4.056 9.645 9.540 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.523 10.790 8.483 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.381 9.164 9.122 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.680 12.169 11.699 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.156 12.182 9.998 1.00 0.00 H new ATOM 230 N GLY A 16 2.802 8.476 6.708 1.00 0.00 N ATOM 231 CA GLY A 16 2.749 7.289 5.876 1.00 0.00 C ATOM 232 C GLY A 16 1.475 6.492 6.078 1.00 0.00 C ATOM 233 O GLY A 16 0.493 6.687 5.361 1.00 0.00 O ATOM 0 H GLY A 16 2.350 9.299 6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.829 7.580 4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.608 6.656 6.097 1.00 0.00 H new ATOM 237 N PHE A 17 1.492 5.591 7.054 1.00 0.00 N ATOM 238 CA PHE A 17 0.335 4.750 7.341 1.00 0.00 C ATOM 239 C PHE A 17 -0.213 5.022 8.739 1.00 0.00 C ATOM 240 O PHE A 17 0.493 5.540 9.605 1.00 0.00 O ATOM 241 CB PHE A 17 0.712 3.273 7.214 1.00 0.00 C ATOM 242 CG PHE A 17 0.490 2.708 5.841 1.00 0.00 C ATOM 243 CD1 PHE A 17 1.432 2.890 4.841 1.00 0.00 C ATOM 244 CD2 PHE A 17 -0.658 1.987 5.552 1.00 0.00 C ATOM 245 CE1 PHE A 17 1.231 2.368 3.577 1.00 0.00 C ATOM 246 CE2 PHE A 17 -0.864 1.463 4.291 1.00 0.00 C ATOM 247 CZ PHE A 17 0.083 1.650 3.303 1.00 0.00 C ATOM 0 H PHE A 17 2.295 5.424 7.660 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.441 4.991 6.615 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.762 3.151 7.482 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.130 2.696 7.933 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.334 3.446 5.052 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.400 1.833 6.322 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.970 2.521 2.805 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.765 0.907 4.077 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.074 1.236 2.318 1.00 0.00 H new ATOM 257 N ASP A 18 -1.474 4.657 8.955 1.00 0.00 N ATOM 258 CA ASP A 18 -2.115 4.845 10.252 1.00 0.00 C ATOM 259 C ASP A 18 -2.626 3.516 10.798 1.00 0.00 C ATOM 260 O ASP A 18 -3.758 3.419 11.274 1.00 0.00 O ATOM 261 CB ASP A 18 -3.269 5.844 10.136 1.00 0.00 C ATOM 262 CG ASP A 18 -2.870 7.243 10.563 1.00 0.00 C ATOM 263 OD1 ASP A 18 -2.560 7.433 11.758 1.00 0.00 O ATOM 264 OD2 ASP A 18 -2.867 8.148 9.703 1.00 0.00 O ATOM 0 H ASP A 18 -2.072 4.229 8.248 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.373 5.242 10.945 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.622 5.869 9.105 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.103 5.504 10.750 1.00 0.00 H new ATOM 269 N VAL A 19 -1.781 2.493 10.729 1.00 0.00 N ATOM 270 CA VAL A 19 -2.142 1.162 11.203 1.00 0.00 C ATOM 271 C VAL A 19 -2.768 1.214 12.595 1.00 0.00 C ATOM 272 O VAL A 19 -3.540 0.332 12.969 1.00 0.00 O ATOM 273 CB VAL A 19 -0.918 0.227 11.237 1.00 0.00 C ATOM 274 CG1 VAL A 19 0.115 0.735 12.233 1.00 0.00 C ATOM 275 CG2 VAL A 19 -1.338 -1.196 11.569 1.00 0.00 C ATOM 0 H VAL A 19 -0.837 2.561 10.348 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.874 0.768 10.498 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.462 0.222 10.247 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.972 0.062 12.243 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.441 1.733 11.942 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.328 0.774 13.228 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.459 -1.840 11.588 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.822 -1.214 12.545 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.035 -1.556 10.812 1.00 0.00 H new ATOM 285 N ASN A 20 -2.431 2.250 13.356 1.00 0.00 N ATOM 286 CA ASN A 20 -2.960 2.405 14.707 1.00 0.00 C ATOM 287 C ASN A 20 -4.483 2.500 14.695 1.00 0.00 C ATOM 288 O ASN A 20 -5.146 2.106 15.654 1.00 0.00 O ATOM 289 CB ASN A 20 -2.365 3.650 15.370 1.00 0.00 C ATOM 290 CG ASN A 20 -2.374 4.856 14.451 1.00 0.00 C ATOM 291 OD1 ASN A 20 -1.705 4.869 13.418 1.00 0.00 O ATOM 292 ND2 ASN A 20 -3.131 5.880 14.826 1.00 0.00 N ATOM 0 H ASN A 20 -1.796 2.992 13.062 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.677 1.523 15.281 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.929 3.881 16.274 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.341 3.440 15.678 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.174 6.720 14.250 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.670 5.826 15.691 1.00 0.00 H new ATOM 299 N ASN A 21 -5.033 3.027 13.604 1.00 0.00 N ATOM 300 CA ASN A 21 -6.477 3.175 13.473 1.00 0.00 C ATOM 301 C ASN A 21 -6.908 3.067 12.013 1.00 0.00 C ATOM 302 O ASN A 21 -7.859 3.720 11.586 1.00 0.00 O ATOM 303 CB ASN A 21 -6.926 4.520 14.049 1.00 0.00 C ATOM 304 CG ASN A 21 -6.443 4.732 15.470 1.00 0.00 C ATOM 305 OD1 ASN A 21 -5.583 5.575 15.726 1.00 0.00 O ATOM 306 ND2 ASN A 21 -6.998 3.967 16.404 1.00 0.00 N ATOM 0 H ASN A 21 -4.500 3.358 12.800 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.951 2.369 14.033 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.552 5.326 13.417 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.014 4.577 14.026 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.715 4.066 17.379 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.707 3.281 16.146 1.00 0.00 H new ATOM 313 N LEU A 22 -6.200 2.238 11.253 1.00 0.00 N ATOM 314 CA LEU A 22 -6.508 2.044 9.840 1.00 0.00 C ATOM 315 C LEU A 22 -7.940 1.555 9.656 1.00 0.00 C ATOM 316 O LEU A 22 -8.430 0.732 10.429 1.00 0.00 O ATOM 317 CB LEU A 22 -5.530 1.045 9.217 1.00 0.00 C ATOM 318 CG LEU A 22 -4.779 1.558 7.987 1.00 0.00 C ATOM 319 CD1 LEU A 22 -3.838 0.491 7.452 1.00 0.00 C ATOM 320 CD2 LEU A 22 -5.758 1.999 6.910 1.00 0.00 C ATOM 0 H LEU A 22 -5.409 1.690 11.591 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.406 3.005 9.336 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.802 0.753 9.973 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.080 0.146 8.940 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.183 2.422 8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.313 0.874 6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.114 0.225 8.222 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.411 -0.393 7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.206 2.361 6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.381 1.154 6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.389 2.798 7.298 1.00 0.00 H new ATOM 332 N ASP A 23 -8.607 2.068 8.627 1.00 0.00 N ATOM 333 CA ASP A 23 -9.984 1.682 8.342 1.00 0.00 C ATOM 334 C ASP A 23 -10.096 0.171 8.148 1.00 0.00 C ATOM 335 O ASP A 23 -9.249 -0.442 7.499 1.00 0.00 O ATOM 336 CB ASP A 23 -10.487 2.405 7.092 1.00 0.00 C ATOM 337 CG ASP A 23 -11.981 2.661 7.132 1.00 0.00 C ATOM 338 OD1 ASP A 23 -12.410 3.553 7.894 1.00 0.00 O ATOM 339 OD2 ASP A 23 -12.721 1.970 6.402 1.00 0.00 O ATOM 0 H ASP A 23 -8.217 2.751 7.978 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.601 1.968 9.194 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.961 3.354 6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.247 1.810 6.211 1.00 0.00 H new ATOM 344 N PRO A 24 -11.148 -0.452 8.709 1.00 0.00 N ATOM 345 CA PRO A 24 -11.364 -1.897 8.585 1.00 0.00 C ATOM 346 C PRO A 24 -11.303 -2.366 7.135 1.00 0.00 C ATOM 347 O PRO A 24 -10.679 -3.380 6.825 1.00 0.00 O ATOM 348 CB PRO A 24 -12.770 -2.098 9.153 1.00 0.00 C ATOM 349 CG PRO A 24 -12.960 -0.960 10.095 1.00 0.00 C ATOM 350 CD PRO A 24 -12.211 0.200 9.498 1.00 0.00 C ATOM 0 HA PRO A 24 -10.596 -2.470 9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.522 -2.089 8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.857 -3.056 9.666 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.017 -0.723 10.213 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -12.576 -1.205 11.085 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.856 0.816 8.872 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.798 0.851 10.268 1.00 0.00 H new ATOM 358 N ASP A 25 -11.953 -1.617 6.251 1.00 0.00 N ATOM 359 CA ASP A 25 -11.968 -1.951 4.832 1.00 0.00 C ATOM 360 C ASP A 25 -10.549 -2.046 4.284 1.00 0.00 C ATOM 361 O ASP A 25 -10.145 -3.082 3.756 1.00 0.00 O ATOM 362 CB ASP A 25 -12.760 -0.902 4.050 1.00 0.00 C ATOM 363 CG ASP A 25 -14.188 -0.771 4.541 1.00 0.00 C ATOM 364 OD1 ASP A 25 -14.385 -0.257 5.661 1.00 0.00 O ATOM 365 OD2 ASP A 25 -15.109 -1.182 3.803 1.00 0.00 O ATOM 0 H ASP A 25 -12.476 -0.775 6.492 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.450 -2.922 4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.260 0.063 4.133 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.765 -1.168 2.993 1.00 0.00 H new ATOM 370 N LEU A 26 -9.796 -0.960 4.416 1.00 0.00 N ATOM 371 CA LEU A 26 -8.418 -0.927 3.943 1.00 0.00 C ATOM 372 C LEU A 26 -7.577 -1.973 4.667 1.00 0.00 C ATOM 373 O LEU A 26 -6.665 -2.563 4.087 1.00 0.00 O ATOM 374 CB LEU A 26 -7.817 0.464 4.153 1.00 0.00 C ATOM 375 CG LEU A 26 -7.238 1.113 2.893 1.00 0.00 C ATOM 376 CD1 LEU A 26 -6.360 0.124 2.142 1.00 0.00 C ATOM 377 CD2 LEU A 26 -8.354 1.628 1.999 1.00 0.00 C ATOM 0 H LEU A 26 -10.116 -0.092 4.846 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.417 -1.155 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.587 1.119 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.029 0.394 4.903 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.621 1.961 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.956 0.601 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.540 -0.196 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.954 -0.743 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.924 2.086 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.998 0.799 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.941 2.369 2.541 1.00 0.00 H new ATOM 389 N ARG A 27 -7.897 -2.204 5.937 1.00 0.00 N ATOM 390 CA ARG A 27 -7.180 -3.186 6.742 1.00 0.00 C ATOM 391 C ARG A 27 -7.220 -4.559 6.079 1.00 0.00 C ATOM 392 O ARG A 27 -6.199 -5.239 5.975 1.00 0.00 O ATOM 393 CB ARG A 27 -7.786 -3.266 8.145 1.00 0.00 C ATOM 394 CG ARG A 27 -6.779 -3.021 9.257 1.00 0.00 C ATOM 395 CD ARG A 27 -7.468 -2.725 10.581 1.00 0.00 C ATOM 396 NE ARG A 27 -6.521 -2.667 11.691 1.00 0.00 N ATOM 397 CZ ARG A 27 -6.798 -2.117 12.869 1.00 0.00 C ATOM 398 NH1 ARG A 27 -7.991 -1.583 13.090 1.00 0.00 N ATOM 399 NH2 ARG A 27 -5.883 -2.104 13.830 1.00 0.00 N ATOM 0 H ARG A 27 -8.649 -1.724 6.431 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.140 -2.869 6.822 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.590 -2.535 8.227 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.235 -4.250 8.283 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.138 -3.896 9.367 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.134 -2.185 8.987 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.000 -1.776 10.509 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.214 -3.494 10.781 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.595 -3.071 11.555 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.699 -1.594 12.355 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.201 -1.162 13.995 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.965 -2.517 13.666 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.098 -1.681 14.733 1.00 0.00 H new ATOM 413 N SER A 28 -8.404 -4.958 5.628 1.00 0.00 N ATOM 414 CA SER A 28 -8.576 -6.245 4.965 1.00 0.00 C ATOM 415 C SER A 28 -7.911 -6.236 3.593 1.00 0.00 C ATOM 416 O SER A 28 -7.275 -7.212 3.194 1.00 0.00 O ATOM 417 CB SER A 28 -10.064 -6.574 4.823 1.00 0.00 C ATOM 418 OG SER A 28 -10.741 -5.571 4.087 1.00 0.00 O ATOM 0 H SER A 28 -9.259 -4.408 5.710 1.00 0.00 H new ATOM 0 HA SER A 28 -8.100 -7.011 5.577 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.181 -7.536 4.324 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.514 -6.670 5.811 1.00 0.00 H new ATOM 0 HG SER A 28 -10.280 -4.714 4.202 1.00 0.00 H new ATOM 424 N LEU A 29 -8.058 -5.125 2.880 1.00 0.00 N ATOM 425 CA LEU A 29 -7.462 -4.980 1.557 1.00 0.00 C ATOM 426 C LEU A 29 -5.971 -5.298 1.594 1.00 0.00 C ATOM 427 O LEU A 29 -5.381 -5.670 0.579 1.00 0.00 O ATOM 428 CB LEU A 29 -7.682 -3.556 1.035 1.00 0.00 C ATOM 429 CG LEU A 29 -7.349 -3.342 -0.445 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.884 -4.490 -1.288 1.00 0.00 C ATOM 431 CD2 LEU A 29 -7.913 -2.016 -0.929 1.00 0.00 C ATOM 0 H LEU A 29 -8.585 -4.311 3.196 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.947 -5.687 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.725 -3.284 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.077 -2.871 1.629 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.265 -3.317 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.637 -4.318 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.433 -5.425 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.967 -4.550 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.668 -1.879 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.996 -2.014 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.480 -1.202 -0.347 1.00 0.00 H new ATOM 443 N PHE A 30 -5.369 -5.157 2.771 1.00 0.00 N ATOM 444 CA PHE A 30 -3.947 -5.433 2.940 1.00 0.00 C ATOM 445 C PHE A 30 -3.723 -6.864 3.415 1.00 0.00 C ATOM 446 O PHE A 30 -2.940 -7.609 2.827 1.00 0.00 O ATOM 447 CB PHE A 30 -3.331 -4.449 3.936 1.00 0.00 C ATOM 448 CG PHE A 30 -2.988 -3.122 3.326 1.00 0.00 C ATOM 449 CD1 PHE A 30 -2.039 -3.033 2.323 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.622 -1.965 3.749 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.721 -1.815 1.755 1.00 0.00 C ATOM 452 CE2 PHE A 30 -3.311 -0.743 3.185 1.00 0.00 C ATOM 453 CZ PHE A 30 -2.358 -0.667 2.186 1.00 0.00 C ATOM 0 H PHE A 30 -5.844 -4.853 3.621 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.461 -5.312 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.028 -4.293 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.429 -4.890 4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.541 -3.928 1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.368 -2.019 4.528 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.976 -1.760 0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.812 0.152 3.524 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.112 0.287 1.744 1.00 0.00 H new ATOM 463 N SER A 31 -4.418 -7.243 4.482 1.00 0.00 N ATOM 464 CA SER A 31 -4.300 -8.587 5.032 1.00 0.00 C ATOM 465 C SER A 31 -4.541 -9.640 3.955 1.00 0.00 C ATOM 466 O SER A 31 -4.063 -10.769 4.059 1.00 0.00 O ATOM 467 CB SER A 31 -5.291 -8.778 6.181 1.00 0.00 C ATOM 468 OG SER A 31 -5.615 -10.146 6.355 1.00 0.00 O ATOM 0 H SER A 31 -5.069 -6.638 4.983 1.00 0.00 H new ATOM 0 HA SER A 31 -3.286 -8.710 5.412 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.864 -8.382 7.103 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.199 -8.209 5.980 1.00 0.00 H new ATOM 0 HG SER A 31 -6.249 -10.240 7.097 1.00 0.00 H new ATOM 474 N ARG A 32 -5.284 -9.260 2.920 1.00 0.00 N ATOM 475 CA ARG A 32 -5.587 -10.171 1.823 1.00 0.00 C ATOM 476 C ARG A 32 -4.391 -10.316 0.887 1.00 0.00 C ATOM 477 O ARG A 32 -4.256 -11.322 0.189 1.00 0.00 O ATOM 478 CB ARG A 32 -6.802 -9.672 1.040 1.00 0.00 C ATOM 479 CG ARG A 32 -8.112 -9.817 1.797 1.00 0.00 C ATOM 480 CD ARG A 32 -9.250 -9.105 1.085 1.00 0.00 C ATOM 481 NE ARG A 32 -10.324 -8.735 2.002 1.00 0.00 N ATOM 482 CZ ARG A 32 -11.163 -9.611 2.544 1.00 0.00 C ATOM 483 NH1 ARG A 32 -11.055 -10.902 2.256 1.00 0.00 N ATOM 484 NH2 ARG A 32 -12.114 -9.199 3.371 1.00 0.00 N ATOM 0 H ARG A 32 -5.687 -8.328 2.819 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.812 -11.149 2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.654 -8.623 0.784 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.871 -10.222 0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.355 -10.874 1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.999 -9.410 2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.867 -8.210 0.595 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.648 -9.751 0.302 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.436 -7.749 2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.327 -11.223 1.618 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.700 -11.573 2.673 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.203 -8.207 3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.757 -9.874 3.786 1.00 0.00 H new ATOM 498 N ALA A 33 -3.525 -9.309 0.878 1.00 0.00 N ATOM 499 CA ALA A 33 -2.339 -9.329 0.031 1.00 0.00 C ATOM 500 C ALA A 33 -1.146 -9.928 0.769 1.00 0.00 C ATOM 501 O ALA A 33 -0.204 -10.423 0.149 1.00 0.00 O ATOM 502 CB ALA A 33 -2.013 -7.925 -0.452 1.00 0.00 C ATOM 0 H ALA A 33 -3.622 -8.469 1.448 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.550 -9.959 -0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.125 -7.954 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.853 -7.533 -1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.827 -7.279 0.406 1.00 0.00 H new ATOM 508 N GLY A 34 -1.193 -9.884 2.097 1.00 0.00 N ATOM 509 CA GLY A 34 -0.110 -10.429 2.896 1.00 0.00 C ATOM 510 C GLY A 34 0.887 -9.369 3.326 1.00 0.00 C ATOM 511 O GLY A 34 2.056 -9.418 2.946 1.00 0.00 O ATOM 0 H GLY A 34 -1.961 -9.481 2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.524 -10.914 3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.408 -11.199 2.323 1.00 0.00 H new ATOM 515 N ILE A 35 0.423 -8.413 4.124 1.00 0.00 N ATOM 516 CA ILE A 35 1.281 -7.338 4.609 1.00 0.00 C ATOM 517 C ILE A 35 1.237 -7.252 6.133 1.00 0.00 C ATOM 518 O ILE A 35 0.175 -7.378 6.741 1.00 0.00 O ATOM 519 CB ILE A 35 0.874 -5.978 4.007 1.00 0.00 C ATOM 520 CG1 ILE A 35 0.960 -6.030 2.479 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.754 -4.861 4.554 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.764 -4.685 1.813 1.00 0.00 C ATOM 0 H ILE A 35 -0.543 -8.361 4.449 1.00 0.00 H new ATOM 0 HA ILE A 35 2.298 -7.570 4.292 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.157 -5.768 4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.933 -6.429 2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.207 -6.724 2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.450 -3.910 4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.648 -4.812 5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.795 -5.061 4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.838 -4.800 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.220 -4.292 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.532 -3.993 2.158 1.00 0.00 H new ATOM 534 N SER A 36 2.400 -7.044 6.743 1.00 0.00 N ATOM 535 CA SER A 36 2.498 -6.950 8.194 1.00 0.00 C ATOM 536 C SER A 36 2.682 -5.502 8.639 1.00 0.00 C ATOM 537 O SER A 36 2.865 -4.607 7.814 1.00 0.00 O ATOM 538 CB SER A 36 3.664 -7.802 8.701 1.00 0.00 C ATOM 539 OG SER A 36 4.755 -7.763 7.798 1.00 0.00 O ATOM 0 H SER A 36 3.288 -6.937 6.253 1.00 0.00 H new ATOM 0 HA SER A 36 1.567 -7.324 8.620 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.984 -7.441 9.678 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.335 -8.833 8.834 1.00 0.00 H new ATOM 0 HG SER A 36 5.487 -8.314 8.146 1.00 0.00 H new ATOM 545 N GLU A 37 2.632 -5.281 9.950 1.00 0.00 N ATOM 546 CA GLU A 37 2.789 -3.943 10.506 1.00 0.00 C ATOM 547 C GLU A 37 4.152 -3.357 10.153 1.00 0.00 C ATOM 548 O GLU A 37 4.295 -2.144 9.997 1.00 0.00 O ATOM 549 CB GLU A 37 2.620 -3.980 12.028 1.00 0.00 C ATOM 550 CG GLU A 37 1.259 -3.496 12.502 1.00 0.00 C ATOM 551 CD GLU A 37 0.624 -4.439 13.506 1.00 0.00 C ATOM 552 OE1 GLU A 37 1.339 -4.907 14.416 1.00 0.00 O ATOM 553 OE2 GLU A 37 -0.590 -4.709 13.380 1.00 0.00 O ATOM 0 H GLU A 37 2.484 -6.012 10.646 1.00 0.00 H new ATOM 0 HA GLU A 37 2.018 -3.306 10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.775 -5.001 12.378 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.395 -3.365 12.486 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.365 -2.509 12.952 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.597 -3.386 11.643 1.00 0.00 H new ATOM 560 N ALA A 38 5.151 -4.225 10.035 1.00 0.00 N ATOM 561 CA ALA A 38 6.505 -3.789 9.708 1.00 0.00 C ATOM 562 C ALA A 38 6.523 -2.960 8.429 1.00 0.00 C ATOM 563 O ALA A 38 7.150 -1.904 8.373 1.00 0.00 O ATOM 564 CB ALA A 38 7.429 -4.990 9.576 1.00 0.00 C ATOM 0 H ALA A 38 5.050 -5.232 10.160 1.00 0.00 H new ATOM 0 HA ALA A 38 6.863 -3.158 10.522 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.435 -4.650 9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.450 -5.538 10.518 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.065 -5.644 8.783 1.00 0.00 H new ATOM 570 N GLN A 39 5.831 -3.446 7.403 1.00 0.00 N ATOM 571 CA GLN A 39 5.772 -2.751 6.123 1.00 0.00 C ATOM 572 C GLN A 39 4.947 -1.473 6.232 1.00 0.00 C ATOM 573 O GLN A 39 5.270 -0.458 5.615 1.00 0.00 O ATOM 574 CB GLN A 39 5.171 -3.665 5.051 1.00 0.00 C ATOM 575 CG GLN A 39 6.060 -4.844 4.689 1.00 0.00 C ATOM 576 CD GLN A 39 5.907 -5.266 3.241 1.00 0.00 C ATOM 577 OE1 GLN A 39 6.320 -4.552 2.327 1.00 0.00 O ATOM 578 NE2 GLN A 39 5.309 -6.432 3.025 1.00 0.00 N ATOM 0 H GLN A 39 5.303 -4.318 7.434 1.00 0.00 H new ATOM 0 HA GLN A 39 6.789 -2.483 5.839 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.210 -4.040 5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.976 -3.079 4.153 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.101 -4.582 4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.821 -5.687 5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.982 -6.991 3.813 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.176 -6.768 2.071 1.00 0.00 H new ATOM 587 N LEU A 40 3.878 -1.531 7.020 1.00 0.00 N ATOM 588 CA LEU A 40 2.999 -0.382 7.203 1.00 0.00 C ATOM 589 C LEU A 40 3.697 0.727 7.984 1.00 0.00 C ATOM 590 O LEU A 40 3.580 1.905 7.644 1.00 0.00 O ATOM 591 CB LEU A 40 1.722 -0.805 7.931 1.00 0.00 C ATOM 592 CG LEU A 40 0.942 -1.936 7.259 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.221 -2.375 8.134 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.448 -1.502 5.889 1.00 0.00 C ATOM 0 H LEU A 40 3.600 -2.362 7.542 1.00 0.00 H new ATOM 0 HA LEU A 40 2.741 0.004 6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.984 -1.115 8.943 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.069 0.063 8.022 1.00 0.00 H new ATOM 0 HG LEU A 40 1.612 -2.786 7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.764 -3.180 7.640 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.158 -2.728 9.093 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.892 -1.532 8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.105 -2.319 5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.206 -0.636 5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.300 -1.239 5.262 1.00 0.00 H new ATOM 606 N THR A 41 4.417 0.347 9.033 1.00 0.00 N ATOM 607 CA THR A 41 5.123 1.316 9.863 1.00 0.00 C ATOM 608 C THR A 41 6.361 1.852 9.150 1.00 0.00 C ATOM 609 O THR A 41 6.644 3.049 9.196 1.00 0.00 O ATOM 610 CB THR A 41 5.524 0.682 11.196 1.00 0.00 C ATOM 611 OG1 THR A 41 6.425 -0.392 10.990 1.00 0.00 O ATOM 612 CG2 THR A 41 4.347 0.152 11.985 1.00 0.00 C ATOM 0 H THR A 41 4.527 -0.623 9.329 1.00 0.00 H new ATOM 0 HA THR A 41 4.447 2.150 10.052 1.00 0.00 H new ATOM 0 HB THR A 41 5.991 1.484 11.768 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.940 -1.160 10.621 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.702 -0.284 12.919 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.659 0.968 12.204 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.831 -0.611 11.401 1.00 0.00 H new ATOM 620 N ASP A 42 7.094 0.962 8.489 1.00 0.00 N ATOM 621 CA ASP A 42 8.302 1.349 7.769 1.00 0.00 C ATOM 622 C ASP A 42 8.047 2.563 6.881 1.00 0.00 C ATOM 623 O ASP A 42 7.137 2.558 6.052 1.00 0.00 O ATOM 624 CB ASP A 42 8.812 0.184 6.918 1.00 0.00 C ATOM 625 CG ASP A 42 10.090 -0.418 7.468 1.00 0.00 C ATOM 626 OD1 ASP A 42 11.181 0.081 7.115 1.00 0.00 O ATOM 627 OD2 ASP A 42 10.003 -1.388 8.248 1.00 0.00 O ATOM 0 H ASP A 42 6.873 -0.032 8.437 1.00 0.00 H new ATOM 0 HA ASP A 42 9.060 1.613 8.507 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.044 -0.587 6.865 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.986 0.531 5.899 1.00 0.00 H new ATOM 632 N ALA A 43 8.856 3.601 7.060 1.00 0.00 N ATOM 633 CA ALA A 43 8.720 4.821 6.272 1.00 0.00 C ATOM 634 C ALA A 43 9.209 4.607 4.844 1.00 0.00 C ATOM 635 O ALA A 43 8.760 5.279 3.915 1.00 0.00 O ATOM 636 CB ALA A 43 9.483 5.962 6.928 1.00 0.00 C ATOM 0 H ALA A 43 9.613 3.622 7.744 1.00 0.00 H new ATOM 0 HA ALA A 43 7.663 5.083 6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.372 6.866 6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.085 6.138 7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.539 5.701 6.999 1.00 0.00 H new ATOM 642 N GLU A 44 10.131 3.665 4.676 1.00 0.00 N ATOM 643 CA GLU A 44 10.682 3.361 3.360 1.00 0.00 C ATOM 644 C GLU A 44 9.682 2.575 2.519 1.00 0.00 C ATOM 645 O GLU A 44 9.528 2.829 1.324 1.00 0.00 O ATOM 646 CB GLU A 44 11.983 2.568 3.502 1.00 0.00 C ATOM 647 CG GLU A 44 13.232 3.423 3.384 1.00 0.00 C ATOM 648 CD GLU A 44 13.824 3.400 1.988 1.00 0.00 C ATOM 649 OE1 GLU A 44 13.418 4.240 1.157 1.00 0.00 O ATOM 650 OE2 GLU A 44 14.693 2.541 1.726 1.00 0.00 O ATOM 0 H GLU A 44 10.512 3.099 5.434 1.00 0.00 H new ATOM 0 HA GLU A 44 10.891 4.303 2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.988 2.064 4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.011 1.792 2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.991 4.451 3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.978 3.071 4.097 1.00 0.00 H new ATOM 657 N THR A 45 9.006 1.622 3.149 1.00 0.00 N ATOM 658 CA THR A 45 8.020 0.801 2.457 1.00 0.00 C ATOM 659 C THR A 45 6.655 1.480 2.445 1.00 0.00 C ATOM 660 O THR A 45 5.829 1.218 1.570 1.00 0.00 O ATOM 661 CB THR A 45 7.913 -0.574 3.119 1.00 0.00 C ATOM 662 OG1 THR A 45 9.171 -0.982 3.631 1.00 0.00 O ATOM 663 CG2 THR A 45 7.425 -1.655 2.181 1.00 0.00 C ATOM 0 H THR A 45 9.122 1.399 4.137 1.00 0.00 H new ATOM 0 HA THR A 45 8.351 0.675 1.426 1.00 0.00 H new ATOM 0 HB THR A 45 7.181 -0.454 3.918 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.083 -1.863 4.052 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.373 -2.604 2.715 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.435 -1.393 1.808 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.115 -1.748 1.343 1.00 0.00 H new ATOM 671 N SER A 46 6.424 2.356 3.418 1.00 0.00 N ATOM 672 CA SER A 46 5.160 3.076 3.515 1.00 0.00 C ATOM 673 C SER A 46 4.794 3.713 2.179 1.00 0.00 C ATOM 674 O SER A 46 3.746 3.418 1.604 1.00 0.00 O ATOM 675 CB SER A 46 5.244 4.152 4.599 1.00 0.00 C ATOM 676 OG SER A 46 6.421 4.927 4.458 1.00 0.00 O ATOM 0 H SER A 46 7.096 2.584 4.150 1.00 0.00 H new ATOM 0 HA SER A 46 4.382 2.360 3.782 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.369 4.800 4.541 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.229 3.683 5.583 1.00 0.00 H new ATOM 0 HG SER A 46 7.025 4.492 3.820 1.00 0.00 H new ATOM 682 N LYS A 47 5.670 4.583 1.683 1.00 0.00 N ATOM 683 CA LYS A 47 5.444 5.252 0.409 1.00 0.00 C ATOM 684 C LYS A 47 5.449 4.246 -0.736 1.00 0.00 C ATOM 685 O LYS A 47 4.670 4.361 -1.682 1.00 0.00 O ATOM 686 CB LYS A 47 6.515 6.319 0.172 1.00 0.00 C ATOM 687 CG LYS A 47 6.219 7.227 -1.010 1.00 0.00 C ATOM 688 CD LYS A 47 7.299 8.282 -1.185 1.00 0.00 C ATOM 689 CE LYS A 47 8.139 8.018 -2.425 1.00 0.00 C ATOM 690 NZ LYS A 47 8.731 6.652 -2.415 1.00 0.00 N ATOM 0 H LYS A 47 6.542 4.840 2.145 1.00 0.00 H new ATOM 0 HA LYS A 47 4.466 5.733 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.615 6.928 1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.475 5.829 0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.141 6.630 -1.919 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.254 7.713 -0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.838 9.267 -1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.942 8.296 -0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.521 8.139 -3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.936 8.759 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.551 6.624 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.036 6.413 -1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.020 5.963 -2.735 1.00 0.00 H new ATOM 704 N LEU A 48 6.329 3.257 -0.640 1.00 0.00 N ATOM 705 CA LEU A 48 6.426 2.219 -1.659 1.00 0.00 C ATOM 706 C LEU A 48 5.088 1.509 -1.825 1.00 0.00 C ATOM 707 O LEU A 48 4.750 1.043 -2.913 1.00 0.00 O ATOM 708 CB LEU A 48 7.511 1.208 -1.280 1.00 0.00 C ATOM 709 CG LEU A 48 7.563 -0.054 -2.147 1.00 0.00 C ATOM 710 CD1 LEU A 48 8.519 0.142 -3.313 1.00 0.00 C ATOM 711 CD2 LEU A 48 7.973 -1.256 -1.312 1.00 0.00 C ATOM 0 H LEU A 48 6.986 3.152 0.133 1.00 0.00 H new ATOM 0 HA LEU A 48 6.693 2.688 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.480 1.704 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.360 0.910 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 48 6.567 -0.240 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.544 -0.764 -3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.180 0.978 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.519 0.352 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.005 -2.144 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.959 -1.081 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.249 -1.406 -0.511 1.00 0.00 H new ATOM 723 N ILE A 49 4.335 1.424 -0.734 1.00 0.00 N ATOM 724 CA ILE A 49 3.038 0.762 -0.752 1.00 0.00 C ATOM 725 C ILE A 49 1.925 1.730 -1.133 1.00 0.00 C ATOM 726 O ILE A 49 0.859 1.310 -1.583 1.00 0.00 O ATOM 727 CB ILE A 49 2.706 0.132 0.615 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.803 -0.850 1.022 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.355 -0.568 0.567 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.922 -1.040 2.518 1.00 0.00 C ATOM 0 H ILE A 49 4.601 1.806 0.174 1.00 0.00 H new ATOM 0 HA ILE A 49 3.102 -0.026 -1.503 1.00 0.00 H new ATOM 0 HB ILE A 49 2.653 0.925 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.606 -1.816 0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.758 -0.497 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.138 -1.007 1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.580 0.155 0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.379 -1.354 -0.188 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.721 -1.750 2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.151 -0.084 2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.981 -1.423 2.912 1.00 0.00 H new ATOM 742 N TYR A 50 2.164 3.025 -0.944 1.00 0.00 N ATOM 743 CA TYR A 50 1.144 4.019 -1.251 1.00 0.00 C ATOM 744 C TYR A 50 0.784 3.986 -2.735 1.00 0.00 C ATOM 745 O TYR A 50 -0.301 4.416 -3.126 1.00 0.00 O ATOM 746 CB TYR A 50 1.572 5.431 -0.760 1.00 0.00 C ATOM 747 CG TYR A 50 1.641 6.515 -1.826 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.627 6.490 -2.803 1.00 0.00 C ATOM 749 CD2 TYR A 50 0.723 7.562 -1.845 1.00 0.00 C ATOM 750 CE1 TYR A 50 2.697 7.474 -3.772 1.00 0.00 C ATOM 751 CE2 TYR A 50 0.788 8.548 -2.811 1.00 0.00 C ATOM 752 CZ TYR A 50 1.776 8.499 -3.771 1.00 0.00 C ATOM 753 OH TYR A 50 1.842 9.480 -4.734 1.00 0.00 O ATOM 0 H TYR A 50 3.040 3.405 -0.586 1.00 0.00 H new ATOM 0 HA TYR A 50 0.235 3.768 -0.704 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.873 5.753 0.012 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.552 5.349 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.351 5.689 -2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.051 7.604 -1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.470 7.439 -4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.068 9.353 -2.814 1.00 0.00 H new ATOM 0 HH TYR A 50 1.120 10.127 -4.592 1.00 0.00 H new ATOM 763 N ASP A 51 1.671 3.429 -3.549 1.00 0.00 N ATOM 764 CA ASP A 51 1.400 3.288 -4.971 1.00 0.00 C ATOM 765 C ASP A 51 0.129 2.468 -5.199 1.00 0.00 C ATOM 766 O ASP A 51 -0.460 2.511 -6.280 1.00 0.00 O ATOM 767 CB ASP A 51 2.585 2.621 -5.673 1.00 0.00 C ATOM 768 CG ASP A 51 3.245 3.532 -6.688 1.00 0.00 C ATOM 769 OD1 ASP A 51 2.569 4.455 -7.185 1.00 0.00 O ATOM 770 OD2 ASP A 51 4.439 3.321 -6.986 1.00 0.00 O ATOM 0 H ASP A 51 2.578 3.070 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 51 1.252 4.283 -5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.321 2.318 -4.928 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.244 1.713 -6.171 1.00 0.00 H new ATOM 775 N PHE A 52 -0.299 1.727 -4.173 1.00 0.00 N ATOM 776 CA PHE A 52 -1.485 0.884 -4.284 1.00 0.00 C ATOM 777 C PHE A 52 -2.767 1.652 -3.957 1.00 0.00 C ATOM 778 O PHE A 52 -3.647 1.777 -4.809 1.00 0.00 O ATOM 779 CB PHE A 52 -1.356 -0.337 -3.372 1.00 0.00 C ATOM 780 CG PHE A 52 -2.524 -1.275 -3.471 1.00 0.00 C ATOM 781 CD1 PHE A 52 -2.649 -2.130 -4.555 1.00 0.00 C ATOM 782 CD2 PHE A 52 -3.505 -1.291 -2.494 1.00 0.00 C ATOM 783 CE1 PHE A 52 -3.725 -2.989 -4.657 1.00 0.00 C ATOM 784 CE2 PHE A 52 -4.584 -2.149 -2.590 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.694 -3.000 -3.672 1.00 0.00 C ATOM 0 H PHE A 52 0.158 1.696 -3.262 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.554 0.555 -5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.443 -0.876 -3.624 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.254 -0.002 -2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.896 -2.124 -5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.426 -0.625 -1.647 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.809 -3.652 -5.506 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.341 -2.154 -1.819 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.536 -3.673 -3.748 1.00 0.00 H new ATOM 795 N ILE A 53 -2.889 2.159 -2.725 1.00 0.00 N ATOM 796 CA ILE A 53 -4.088 2.911 -2.348 1.00 0.00 C ATOM 797 C ILE A 53 -4.234 4.163 -3.217 1.00 0.00 C ATOM 798 O ILE A 53 -5.324 4.723 -3.334 1.00 0.00 O ATOM 799 CB ILE A 53 -4.187 3.249 -0.828 1.00 0.00 C ATOM 800 CG1 ILE A 53 -3.598 2.116 0.016 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.644 3.479 -0.452 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.712 2.357 1.504 1.00 0.00 C ATOM 0 H ILE A 53 -2.190 2.065 -1.988 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.930 2.246 -2.538 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.615 4.155 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.106 1.184 -0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.548 1.986 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.713 3.715 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.044 4.309 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.220 2.578 -0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.276 1.516 2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.180 3.272 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.763 2.457 1.777 1.00 0.00 H new ATOM 814 N GLU A 54 -3.138 4.571 -3.861 1.00 0.00 N ATOM 815 CA GLU A 54 -3.156 5.723 -4.758 1.00 0.00 C ATOM 816 C GLU A 54 -3.639 5.317 -6.150 1.00 0.00 C ATOM 817 O GLU A 54 -4.207 6.127 -6.882 1.00 0.00 O ATOM 818 CB GLU A 54 -1.756 6.342 -4.852 1.00 0.00 C ATOM 819 CG GLU A 54 -1.625 7.404 -5.934 1.00 0.00 C ATOM 820 CD GLU A 54 -1.250 6.819 -7.282 1.00 0.00 C ATOM 821 OE1 GLU A 54 -0.133 6.274 -7.403 1.00 0.00 O ATOM 822 OE2 GLU A 54 -2.075 6.906 -8.215 1.00 0.00 O ATOM 0 H GLU A 54 -2.228 4.119 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.847 6.462 -4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.499 6.784 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.031 5.551 -5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.568 7.943 -6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.870 8.131 -5.635 1.00 0.00 H new ATOM 829 N ASP A 55 -3.390 4.062 -6.513 1.00 0.00 N ATOM 830 CA ASP A 55 -3.767 3.550 -7.828 1.00 0.00 C ATOM 831 C ASP A 55 -5.278 3.378 -7.952 1.00 0.00 C ATOM 832 O ASP A 55 -5.885 3.830 -8.922 1.00 0.00 O ATOM 833 CB ASP A 55 -3.073 2.212 -8.090 1.00 0.00 C ATOM 834 CG ASP A 55 -1.857 2.356 -8.985 1.00 0.00 C ATOM 835 OD1 ASP A 55 -1.178 3.400 -8.899 1.00 0.00 O ATOM 836 OD2 ASP A 55 -1.585 1.424 -9.770 1.00 0.00 O ATOM 0 H ASP A 55 -2.927 3.379 -5.913 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.447 4.281 -8.571 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.771 1.770 -7.140 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.781 1.523 -8.551 1.00 0.00 H new ATOM 841 N GLN A 56 -5.879 2.711 -6.973 1.00 0.00 N ATOM 842 CA GLN A 56 -7.317 2.463 -6.987 1.00 0.00 C ATOM 843 C GLN A 56 -8.103 3.764 -7.120 1.00 0.00 C ATOM 844 O GLN A 56 -9.266 3.756 -7.522 1.00 0.00 O ATOM 845 CB GLN A 56 -7.740 1.727 -5.714 1.00 0.00 C ATOM 846 CG GLN A 56 -7.725 0.213 -5.854 1.00 0.00 C ATOM 847 CD GLN A 56 -6.321 -0.359 -5.810 1.00 0.00 C ATOM 848 OE1 GLN A 56 -5.832 -0.909 -6.797 1.00 0.00 O ATOM 849 NE2 GLN A 56 -5.667 -0.231 -4.663 1.00 0.00 N ATOM 0 H GLN A 56 -5.394 2.332 -6.160 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.540 1.841 -7.854 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.075 2.015 -4.900 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -8.744 2.048 -5.435 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.319 -0.229 -5.054 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.199 -0.067 -6.795 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.112 0.232 -3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.719 -0.596 -4.573 1.00 0.00 H new ATOM 858 N GLY A 57 -7.464 4.881 -6.787 1.00 0.00 N ATOM 859 CA GLY A 57 -8.127 6.167 -6.874 1.00 0.00 C ATOM 860 C GLY A 57 -8.240 6.845 -5.525 1.00 0.00 C ATOM 861 O GLY A 57 -8.311 8.071 -5.442 1.00 0.00 O ATOM 0 H GLY A 57 -6.499 4.917 -6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.576 6.812 -7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.123 6.032 -7.296 1.00 0.00 H new ATOM 865 N GLY A 58 -8.255 6.044 -4.464 1.00 0.00 N ATOM 866 CA GLY A 58 -8.351 6.592 -3.126 1.00 0.00 C ATOM 867 C GLY A 58 -8.761 5.557 -2.100 1.00 0.00 C ATOM 868 O GLY A 58 -9.591 4.695 -2.371 1.00 0.00 O ATOM 0 H GLY A 58 -8.202 5.026 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.389 7.018 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.074 7.408 -3.123 1.00 0.00 H new ATOM 872 N LEU A 59 -8.178 5.655 -0.915 1.00 0.00 N ATOM 873 CA LEU A 59 -8.462 4.728 0.173 1.00 0.00 C ATOM 874 C LEU A 59 -9.962 4.642 0.450 1.00 0.00 C ATOM 875 O LEU A 59 -10.549 3.561 0.405 1.00 0.00 O ATOM 876 CB LEU A 59 -7.710 5.223 1.409 1.00 0.00 C ATOM 877 CG LEU A 59 -8.347 4.935 2.773 1.00 0.00 C ATOM 878 CD1 LEU A 59 -7.273 4.743 3.831 1.00 0.00 C ATOM 879 CD2 LEU A 59 -9.284 6.070 3.155 1.00 0.00 C ATOM 0 H LEU A 59 -7.497 6.377 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.134 3.724 -0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.714 4.780 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.580 6.301 1.317 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.925 4.013 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.743 4.539 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.635 3.904 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.670 5.648 3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.734 5.860 4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.722 7.003 3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.068 6.163 2.404 1.00 0.00 H new ATOM 891 N GLU A 60 -10.580 5.790 0.706 1.00 0.00 N ATOM 892 CA GLU A 60 -12.018 5.839 0.929 1.00 0.00 C ATOM 893 C GLU A 60 -12.716 5.640 -0.401 1.00 0.00 C ATOM 894 O GLU A 60 -13.744 4.970 -0.495 1.00 0.00 O ATOM 895 CB GLU A 60 -12.425 7.176 1.553 1.00 0.00 C ATOM 896 CG GLU A 60 -12.086 8.379 0.690 1.00 0.00 C ATOM 897 CD GLU A 60 -11.872 9.640 1.505 1.00 0.00 C ATOM 898 OE1 GLU A 60 -11.322 9.537 2.622 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.253 10.728 1.027 1.00 0.00 O ATOM 0 H GLU A 60 -10.110 6.693 0.764 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.309 5.050 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.498 7.167 1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.931 7.282 2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.185 8.166 0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.891 8.546 -0.026 1.00 0.00 H new ATOM 906 N ALA A 61 -12.094 6.187 -1.434 1.00 0.00 N ATOM 907 CA ALA A 61 -12.568 6.041 -2.793 1.00 0.00 C ATOM 908 C ALA A 61 -12.648 4.562 -3.180 1.00 0.00 C ATOM 909 O ALA A 61 -13.378 4.189 -4.099 1.00 0.00 O ATOM 910 CB ALA A 61 -11.636 6.805 -3.718 1.00 0.00 C ATOM 0 H ALA A 61 -11.245 6.745 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.574 6.451 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.981 6.704 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.630 7.859 -3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.627 6.401 -3.632 1.00 0.00 H new ATOM 916 N VAL A 62 -11.909 3.723 -2.451 1.00 0.00 N ATOM 917 CA VAL A 62 -11.903 2.284 -2.689 1.00 0.00 C ATOM 918 C VAL A 62 -13.086 1.620 -1.985 1.00 0.00 C ATOM 919 O VAL A 62 -13.796 0.806 -2.574 1.00 0.00 O ATOM 920 CB VAL A 62 -10.578 1.645 -2.196 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.646 0.121 -2.201 1.00 0.00 C ATOM 922 CG2 VAL A 62 -9.410 2.127 -3.042 1.00 0.00 C ATOM 0 H VAL A 62 -11.304 4.022 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.990 2.124 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.425 1.963 -1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.698 -0.287 -1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.450 -0.209 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.838 -0.231 -3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.488 1.670 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.574 1.846 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.330 3.212 -2.968 1.00 0.00 H new ATOM 932 N ARG A 63 -13.285 1.974 -0.718 1.00 0.00 N ATOM 933 CA ARG A 63 -14.371 1.410 0.079 1.00 0.00 C ATOM 934 C ARG A 63 -15.684 1.405 -0.699 1.00 0.00 C ATOM 935 O ARG A 63 -16.460 0.453 -0.621 1.00 0.00 O ATOM 936 CB ARG A 63 -14.538 2.201 1.377 1.00 0.00 C ATOM 937 CG ARG A 63 -13.377 2.030 2.344 1.00 0.00 C ATOM 938 CD ARG A 63 -13.322 3.164 3.357 1.00 0.00 C ATOM 939 NE ARG A 63 -14.358 3.037 4.378 1.00 0.00 N ATOM 940 CZ ARG A 63 -14.783 4.051 5.126 1.00 0.00 C ATOM 941 NH1 ARG A 63 -14.263 5.260 4.965 1.00 0.00 N ATOM 942 NH2 ARG A 63 -15.729 3.856 6.036 1.00 0.00 N ATOM 0 H ARG A 63 -12.707 2.651 -0.220 1.00 0.00 H new ATOM 0 HA ARG A 63 -14.112 0.378 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.648 3.259 1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -15.459 1.888 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -13.475 1.079 2.867 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.441 1.993 1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.342 3.176 3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.437 4.117 2.841 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.779 2.120 4.526 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.536 5.413 4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.590 6.037 5.540 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -16.131 2.927 6.163 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -16.054 4.635 6.609 1.00 0.00 H new ATOM 956 N GLN A 64 -15.924 2.472 -1.453 1.00 0.00 N ATOM 957 CA GLN A 64 -17.139 2.582 -2.250 1.00 0.00 C ATOM 958 C GLN A 64 -17.320 1.348 -3.126 1.00 0.00 C ATOM 959 O GLN A 64 -18.437 0.866 -3.316 1.00 0.00 O ATOM 960 CB GLN A 64 -17.090 3.840 -3.119 1.00 0.00 C ATOM 961 CG GLN A 64 -17.409 5.116 -2.355 1.00 0.00 C ATOM 962 CD GLN A 64 -16.914 6.362 -3.063 1.00 0.00 C ATOM 963 OE1 GLN A 64 -17.263 6.615 -4.216 1.00 0.00 O ATOM 964 NE2 GLN A 64 -16.099 7.150 -2.371 1.00 0.00 N ATOM 0 H GLN A 64 -15.295 3.271 -1.529 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.989 2.653 -1.572 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -16.098 3.929 -3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.797 3.732 -3.942 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -18.487 5.189 -2.212 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.959 5.063 -1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.836 6.901 -1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.736 8.005 -2.793 1.00 0.00 H new ATOM 973 N GLU A 65 -16.212 0.840 -3.655 1.00 0.00 N ATOM 974 CA GLU A 65 -16.241 -0.346 -4.503 1.00 0.00 C ATOM 975 C GLU A 65 -16.203 -1.618 -3.661 1.00 0.00 C ATOM 976 O GLU A 65 -17.080 -2.473 -3.771 1.00 0.00 O ATOM 977 CB GLU A 65 -15.059 -0.328 -5.476 1.00 0.00 C ATOM 978 CG GLU A 65 -14.921 -1.605 -6.290 1.00 0.00 C ATOM 979 CD GLU A 65 -15.169 -1.383 -7.769 1.00 0.00 C ATOM 980 OE1 GLU A 65 -16.335 -1.498 -8.200 1.00 0.00 O ATOM 981 OE2 GLU A 65 -14.196 -1.091 -8.497 1.00 0.00 O ATOM 0 H GLU A 65 -15.281 1.232 -3.511 1.00 0.00 H new ATOM 0 HA GLU A 65 -17.172 -0.336 -5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -15.172 0.516 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -14.139 -0.164 -4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.920 -2.014 -6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -15.624 -2.348 -5.915 1.00 0.00 H new ATOM 988 N MET A 66 -15.179 -1.733 -2.822 1.00 0.00 N ATOM 989 CA MET A 66 -15.016 -2.902 -1.965 1.00 0.00 C ATOM 990 C MET A 66 -16.309 -3.231 -1.225 1.00 0.00 C ATOM 991 O MET A 66 -16.614 -4.397 -0.976 1.00 0.00 O ATOM 992 CB MET A 66 -13.887 -2.665 -0.960 1.00 0.00 C ATOM 993 CG MET A 66 -12.698 -3.592 -1.150 1.00 0.00 C ATOM 994 SD MET A 66 -12.980 -5.236 -0.466 1.00 0.00 S ATOM 995 CE MET A 66 -11.367 -5.597 0.222 1.00 0.00 C ATOM 0 H MET A 66 -14.448 -1.029 -2.717 1.00 0.00 H new ATOM 0 HA MET A 66 -14.762 -3.751 -2.600 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.549 -1.632 -1.043 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.278 -2.792 0.049 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.477 -3.679 -2.214 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.820 -3.152 -0.677 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.458 -6.386 0.969 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.698 -5.926 -0.573 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.962 -4.700 0.690 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.621 -6.049 -6.833 1.00 0.00 N ATOM 1182 CA LEU A 81 -7.905 -5.052 -6.036 1.00 0.00 C ATOM 1183 C LEU A 81 -6.708 -5.667 -5.330 1.00 0.00 C ATOM 1184 O LEU A 81 -5.583 -5.184 -5.450 1.00 0.00 O ATOM 1185 CB LEU A 81 -8.793 -4.401 -4.968 1.00 0.00 C ATOM 1186 CG LEU A 81 -10.300 -4.519 -5.152 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -10.991 -3.562 -4.203 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.689 -4.239 -6.592 1.00 0.00 C ATOM 0 HA LEU A 81 -7.582 -4.290 -6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.535 -4.836 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.540 -3.342 -4.918 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.616 -5.537 -4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.071 -3.641 -4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.726 -3.813 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.674 -2.542 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.770 -4.329 -6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.380 -3.230 -6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.197 -4.957 -7.248 1.00 0.00 H new ATOM 1200 N VAL A 82 -6.984 -6.670 -4.508 1.00 0.00 N ATOM 1201 CA VAL A 82 -5.964 -7.288 -3.695 1.00 0.00 C ATOM 1202 C VAL A 82 -4.804 -7.789 -4.546 1.00 0.00 C ATOM 1203 O VAL A 82 -3.638 -7.596 -4.202 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.537 -8.454 -2.867 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.566 -8.860 -1.768 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -7.893 -8.079 -2.279 1.00 0.00 C ATOM 0 H VAL A 82 -7.915 -7.070 -4.391 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.594 -6.522 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.677 -9.308 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.989 -9.685 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.623 -9.175 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.389 -8.012 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.281 -8.915 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.781 -7.209 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.587 -7.845 -3.086 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.133 -8.428 -5.665 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.108 -8.940 -6.556 1.00 0.00 C ATOM 1218 C GLY A 83 -3.150 -7.859 -7.014 1.00 0.00 C ATOM 1219 O GLY A 83 -1.946 -8.094 -7.124 1.00 0.00 O ATOM 0 H GLY A 83 -6.091 -8.600 -5.970 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.549 -9.726 -6.049 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.581 -9.395 -7.426 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.685 -6.671 -7.277 1.00 0.00 N ATOM 1224 CA ALA A 84 -2.868 -5.548 -7.717 1.00 0.00 C ATOM 1225 C ALA A 84 -1.752 -5.263 -6.716 1.00 0.00 C ATOM 1226 O ALA A 84 -0.626 -4.946 -7.099 1.00 0.00 O ATOM 1227 CB ALA A 84 -3.732 -4.313 -7.915 1.00 0.00 C ATOM 0 H ALA A 84 -4.680 -6.462 -7.193 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.410 -5.811 -8.670 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.108 -3.482 -8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.492 -4.517 -8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.216 -4.053 -6.974 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.074 -5.384 -5.433 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.102 -5.143 -4.375 1.00 0.00 C ATOM 1235 C LEU A 85 -0.065 -6.260 -4.324 1.00 0.00 C ATOM 1236 O LEU A 85 1.131 -6.004 -4.179 1.00 0.00 O ATOM 1237 CB LEU A 85 -1.808 -5.024 -3.024 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.162 -4.048 -2.043 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.103 -3.748 -0.888 1.00 0.00 C ATOM 1240 CD2 LEU A 85 0.152 -4.610 -1.532 1.00 0.00 C ATOM 0 H LEU A 85 -3.002 -5.648 -5.101 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.589 -4.206 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.839 -4.714 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.844 -6.010 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.959 -3.113 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.624 -3.051 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.022 -3.305 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.339 -4.673 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.602 -3.905 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.030 -5.557 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.829 -4.772 -2.371 1.00 0.00 H new ATOM 1252 N MET A 86 -0.529 -7.500 -4.443 1.00 0.00 N ATOM 1253 CA MET A 86 0.360 -8.655 -4.416 1.00 0.00 C ATOM 1254 C MET A 86 1.513 -8.472 -5.396 1.00 0.00 C ATOM 1255 O MET A 86 2.612 -8.987 -5.185 1.00 0.00 O ATOM 1256 CB MET A 86 -0.415 -9.930 -4.754 1.00 0.00 C ATOM 1257 CG MET A 86 -1.490 -10.273 -3.737 1.00 0.00 C ATOM 1258 SD MET A 86 -2.092 -11.964 -3.909 1.00 0.00 S ATOM 1259 CE MET A 86 -3.682 -11.841 -3.094 1.00 0.00 C ATOM 0 H MET A 86 -1.516 -7.730 -4.559 1.00 0.00 H new ATOM 0 HA MET A 86 0.770 -8.745 -3.410 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.877 -9.816 -5.735 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.285 -10.763 -4.826 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.092 -10.133 -2.732 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.325 -9.581 -3.848 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.010 -12.833 -2.785 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.593 -11.199 -2.218 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.412 -11.416 -3.783 1.00 0.00 H new ATOM 1269 N HIS A 87 1.256 -7.727 -6.466 1.00 0.00 N ATOM 1270 CA HIS A 87 2.272 -7.461 -7.476 1.00 0.00 C ATOM 1271 C HIS A 87 3.235 -6.375 -7.004 1.00 0.00 C ATOM 1272 O HIS A 87 4.377 -6.302 -7.461 1.00 0.00 O ATOM 1273 CB HIS A 87 1.613 -7.037 -8.791 1.00 0.00 C ATOM 1274 CG HIS A 87 0.714 -8.082 -9.374 1.00 0.00 C ATOM 1275 ND1 HIS A 87 0.015 -9.080 -8.782 1.00 0.00 N flip ATOM 1276 CD2 HIS A 87 0.452 -8.181 -10.724 1.00 0.00 C flip ATOM 1277 CE1 HIS A 87 -0.650 -9.754 -9.775 1.00 0.00 C flip ATOM 1278 NE2 HIS A 87 -0.370 -9.194 -10.937 1.00 0.00 N flip ATOM 0 H HIS A 87 0.351 -7.296 -6.656 1.00 0.00 H new ATOM 0 HA HIS A 87 2.838 -8.378 -7.639 1.00 0.00 H new ATOM 0 HB2 HIS A 87 1.037 -6.127 -8.622 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.390 -6.793 -9.515 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.855 -7.533 -11.488 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -1.298 -10.606 -9.629 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.727 -9.492 -11.845 1.00 0.00 H new ATOM 1287 N VAL A 88 2.766 -5.536 -6.086 1.00 0.00 N ATOM 1288 CA VAL A 88 3.578 -4.450 -5.553 1.00 0.00 C ATOM 1289 C VAL A 88 4.458 -4.932 -4.402 1.00 0.00 C ATOM 1290 O VAL A 88 5.567 -4.437 -4.206 1.00 0.00 O ATOM 1291 CB VAL A 88 2.697 -3.287 -5.058 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.555 -2.128 -4.579 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.742 -2.839 -6.154 1.00 0.00 C ATOM 0 H VAL A 88 1.825 -5.588 -5.695 1.00 0.00 H new ATOM 0 HA VAL A 88 4.212 -4.099 -6.367 1.00 0.00 H new ATOM 0 HB VAL A 88 2.105 -3.639 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.912 -1.318 -4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.191 -2.461 -3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.178 -1.773 -5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.127 -2.017 -5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.313 -2.506 -7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.100 -3.672 -6.440 1.00 0.00 H new ATOM 1303 N MET A 89 3.953 -5.899 -3.641 1.00 0.00 N ATOM 1304 CA MET A 89 4.677 -6.443 -2.511 1.00 0.00 C ATOM 1305 C MET A 89 5.694 -7.478 -2.965 1.00 0.00 C ATOM 1306 O MET A 89 6.751 -7.634 -2.355 1.00 0.00 O ATOM 1307 CB MET A 89 3.688 -7.067 -1.525 1.00 0.00 C ATOM 1308 CG MET A 89 3.367 -6.182 -0.332 1.00 0.00 C ATOM 1309 SD MET A 89 3.143 -4.443 -0.761 1.00 0.00 S ATOM 1310 CE MET A 89 4.734 -3.774 -0.284 1.00 0.00 C ATOM 0 H MET A 89 3.037 -6.321 -3.794 1.00 0.00 H new ATOM 0 HA MET A 89 5.218 -5.635 -2.019 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.763 -7.300 -2.052 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.096 -8.012 -1.165 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.460 -6.549 0.148 1.00 0.00 H new ATOM 0 HG3 MET A 89 4.171 -6.266 0.399 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.984 -2.933 -0.931 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.691 -3.436 0.751 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.497 -4.546 -0.382 1.00 0.00 H new ATOM 1320 N GLN A 90 5.372 -8.177 -4.045 1.00 0.00 N ATOM 1321 CA GLN A 90 6.268 -9.185 -4.585 1.00 0.00 C ATOM 1322 C GLN A 90 7.548 -8.541 -5.112 1.00 0.00 C ATOM 1323 O GLN A 90 8.594 -9.185 -5.188 1.00 0.00 O ATOM 1324 CB GLN A 90 5.581 -9.978 -5.689 1.00 0.00 C ATOM 1325 CG GLN A 90 5.354 -9.165 -6.941 1.00 0.00 C ATOM 1326 CD GLN A 90 4.997 -10.019 -8.140 1.00 0.00 C ATOM 1327 OE1 GLN A 90 3.823 -10.208 -8.457 1.00 0.00 O ATOM 1328 NE2 GLN A 90 6.014 -10.543 -8.816 1.00 0.00 N ATOM 0 H GLN A 90 4.500 -8.064 -4.561 1.00 0.00 H new ATOM 0 HA GLN A 90 6.532 -9.871 -3.780 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.186 -10.851 -5.933 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.623 -10.347 -5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.554 -8.446 -6.762 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.254 -8.592 -7.164 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.972 -10.360 -8.518 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.836 -11.128 -9.633 1.00 0.00 H new ATOM 1337 N LYS A 91 7.453 -7.263 -5.472 1.00 0.00 N ATOM 1338 CA LYS A 91 8.598 -6.526 -5.993 1.00 0.00 C ATOM 1339 C LYS A 91 9.701 -6.414 -4.947 1.00 0.00 C ATOM 1340 O LYS A 91 10.834 -6.835 -5.179 1.00 0.00 O ATOM 1341 CB LYS A 91 8.161 -5.128 -6.438 1.00 0.00 C ATOM 1342 CG LYS A 91 9.201 -4.403 -7.276 1.00 0.00 C ATOM 1343 CD LYS A 91 9.251 -4.946 -8.694 1.00 0.00 C ATOM 1344 CE LYS A 91 9.322 -3.826 -9.718 1.00 0.00 C ATOM 1345 NZ LYS A 91 8.055 -3.046 -9.776 1.00 0.00 N ATOM 0 H LYS A 91 6.593 -6.717 -5.412 1.00 0.00 H new ATOM 0 HA LYS A 91 8.993 -7.073 -6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.238 -5.211 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.936 -4.529 -5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.971 -3.338 -7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.181 -4.507 -6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.118 -5.597 -8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.368 -5.557 -8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.148 -3.159 -9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.535 -4.246 -10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.011 -2.521 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.245 -3.695 -9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.023 -2.377 -8.981 1.00 0.00 H new ATOM 1359 N ARG A 92 9.365 -5.835 -3.798 1.00 0.00 N ATOM 1360 CA ARG A 92 10.329 -5.659 -2.719 1.00 0.00 C ATOM 1361 C ARG A 92 10.857 -7.004 -2.231 1.00 0.00 C ATOM 1362 O ARG A 92 11.993 -7.103 -1.767 1.00 0.00 O ATOM 1363 CB ARG A 92 9.689 -4.897 -1.557 1.00 0.00 C ATOM 1364 CG ARG A 92 10.660 -4.573 -0.432 1.00 0.00 C ATOM 1365 CD ARG A 92 11.944 -3.960 -0.964 1.00 0.00 C ATOM 1366 NE ARG A 92 11.687 -2.792 -1.802 1.00 0.00 N ATOM 1367 CZ ARG A 92 12.628 -1.929 -2.171 1.00 0.00 C ATOM 1368 NH1 ARG A 92 13.882 -2.104 -1.779 1.00 0.00 N ATOM 1369 NH2 ARG A 92 12.314 -0.891 -2.934 1.00 0.00 N ATOM 0 H ARG A 92 8.432 -5.480 -3.591 1.00 0.00 H new ATOM 0 HA ARG A 92 11.168 -5.082 -3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.261 -3.968 -1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.866 -5.488 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.189 -3.883 0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.892 -5.482 0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.582 -3.673 -0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 92 12.490 -4.707 -1.540 1.00 0.00 H new ATOM 0 HE ARG A 92 10.732 -2.629 -2.122 1.00 0.00 H new ATOM 0 HH11 ARG A 92 14.126 -2.902 -1.193 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.603 -1.440 -2.063 1.00 0.00 H new ATOM 0 HH21 ARG A 92 11.350 -0.755 -3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 92 13.037 -0.229 -3.217 1.00 0.00 H new ATOM 1383 N SER A 93 10.028 -8.034 -2.338 1.00 0.00 N ATOM 1384 CA SER A 93 10.411 -9.373 -1.905 1.00 0.00 C ATOM 1385 C SER A 93 11.539 -9.924 -2.770 1.00 0.00 C ATOM 1386 O SER A 93 12.331 -10.752 -2.321 1.00 0.00 O ATOM 1387 CB SER A 93 9.204 -10.313 -1.961 1.00 0.00 C ATOM 1388 OG SER A 93 9.323 -11.353 -1.006 1.00 0.00 O ATOM 0 H SER A 93 9.085 -7.969 -2.721 1.00 0.00 H new ATOM 0 HA SER A 93 10.766 -9.308 -0.877 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.290 -9.748 -1.776 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.118 -10.740 -2.960 1.00 0.00 H new ATOM 0 HG SER A 93 8.539 -11.939 -1.061 1.00 0.00 H new