USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 628 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 56 THR OG1 : rot -21:sc= 0.93 USER MOD Set 1.2: A 59 ASN : amide:sc= 1.36 K(o=2.3,f=-7.9!) USER MOD Single : A 42 THR OG1 : rot 170:sc= 0.371 USER MOD Single : A 44 GLN : amide:sc= -0.0448 X(o=-0.045,f=-0.21) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0.951 (180deg=0.919) USER MOD Single : A 53 MET CE :methyl -155:sc= -0.0148 (180deg=-0.0493) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.00575 K(o=0.0057,f=-0.82) USER MOD Single : A 65 SER OG : rot -24:sc= 0.44 USER MOD Single : A 67 THR OG1 : rot -84:sc= 1.01 USER MOD Single : A 68 ASN : amide:sc= 0.705 K(o=0.7,f=-1.1) USER MOD Single : A 69 ASN : amide:sc= -0.0885 K(o=-0.089,f=-1.3!) USER MOD Single : A 71 LYS NZ :NH3+ -121:sc= 0.943 (180deg=-0.212) USER MOD Single : A 74 THR OG1 : rot 100:sc= 0.293 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.95) USER MOD Single : A 90 LYS NZ :NH3+ -170:sc= 0.945 (180deg=0.866) USER MOD Single : A 91 GLN : amide:sc= -0.0479 X(o=-0.048,f=-0.14) USER MOD Single : A 95 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1.4!) USER MOD Single : A 96 GLN : amide:sc= 0.479 K(o=0.48,f=-3.4!) USER MOD Single : A 101 SER OG : rot 180:sc= 0.75 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.322 K(o=-0.32,f=-1.9!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N VAL A 38 -2.024 -9.529 -12.632 1.00 0.00 N ATOM 148 CA VAL A 38 -2.492 -8.567 -11.640 1.00 0.00 C ATOM 149 C VAL A 38 -2.842 -7.233 -12.290 1.00 0.00 C ATOM 150 O VAL A 38 -2.736 -7.078 -13.507 1.00 0.00 O ATOM 151 CB VAL A 38 -1.440 -8.332 -10.540 1.00 0.00 C ATOM 152 CG1 VAL A 38 -1.144 -9.629 -9.801 1.00 0.00 C ATOM 153 CG2 VAL A 38 -0.164 -7.758 -11.137 1.00 0.00 C ATOM 0 HA VAL A 38 -3.387 -8.993 -11.187 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.842 -7.612 -9.827 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.399 -9.445 -9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.059 -10.003 -9.342 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.762 -10.369 -10.504 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.568 -7.598 -10.346 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.241 -8.456 -11.870 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.385 -6.808 -11.624 1.00 0.00 H new ATOM 163 N ARG A 39 -3.258 -6.274 -11.471 1.00 0.00 N ATOM 164 CA ARG A 39 -3.610 -4.948 -11.964 1.00 0.00 C ATOM 165 C ARG A 39 -2.417 -4.001 -11.881 1.00 0.00 C ATOM 166 O ARG A 39 -1.555 -4.150 -11.017 1.00 0.00 O ATOM 167 CB ARG A 39 -4.830 -4.376 -11.255 1.00 0.00 C ATOM 168 CG ARG A 39 -6.061 -5.266 -11.281 1.00 0.00 C ATOM 169 CD ARG A 39 -6.583 -5.550 -12.642 1.00 0.00 C ATOM 170 NE ARG A 39 -6.972 -4.370 -13.397 1.00 0.00 N ATOM 171 CZ ARG A 39 -8.160 -3.745 -13.280 1.00 0.00 C ATOM 172 NH1 ARG A 39 -9.091 -4.203 -12.472 1.00 0.00 N ATOM 173 NH2 ARG A 39 -8.375 -2.670 -14.018 1.00 0.00 N ATOM 0 H ARG A 39 -3.360 -6.390 -10.463 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.882 -5.054 -13.014 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.567 -4.174 -10.217 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.082 -3.419 -11.712 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.822 -6.210 -10.792 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.849 -4.794 -10.694 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.821 -6.091 -13.204 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.445 -6.211 -12.556 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.299 -3.989 -14.062 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.920 -5.044 -11.921 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.985 -3.717 -12.396 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.651 -2.335 -14.654 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.265 -2.175 -13.952 1.00 0.00 H new ATOM 187 N GLU A 40 -2.375 -3.030 -12.789 1.00 0.00 N ATOM 188 CA GLU A 40 -1.180 -2.217 -12.981 1.00 0.00 C ATOM 189 C GLU A 40 -1.073 -1.144 -11.901 1.00 0.00 C ATOM 190 O GLU A 40 -1.927 -1.047 -11.019 1.00 0.00 O ATOM 191 CB GLU A 40 -1.186 -1.572 -14.369 1.00 0.00 C ATOM 192 CG GLU A 40 -2.244 -0.491 -14.554 1.00 0.00 C ATOM 193 CD GLU A 40 -2.216 0.064 -15.951 1.00 0.00 C ATOM 194 OE1 GLU A 40 -1.388 -0.358 -16.722 1.00 0.00 O ATOM 195 OE2 GLU A 40 -3.092 0.828 -16.282 1.00 0.00 O ATOM 0 H GLU A 40 -3.154 -2.788 -13.402 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.311 -2.871 -12.903 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.204 -1.139 -14.560 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.343 -2.349 -15.117 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.230 -0.904 -14.344 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.076 0.313 -13.837 1.00 0.00 H new ATOM 202 N LEU A 41 -0.016 -0.340 -11.976 1.00 0.00 N ATOM 203 CA LEU A 41 0.207 0.721 -11.003 1.00 0.00 C ATOM 204 C LEU A 41 -0.268 2.066 -11.546 1.00 0.00 C ATOM 205 O LEU A 41 0.540 2.913 -11.933 1.00 0.00 O ATOM 206 CB LEU A 41 1.692 0.790 -10.623 1.00 0.00 C ATOM 207 CG LEU A 41 2.148 -0.241 -9.584 1.00 0.00 C ATOM 208 CD1 LEU A 41 2.400 -1.584 -10.255 1.00 0.00 C ATOM 209 CD2 LEU A 41 3.407 0.260 -8.889 1.00 0.00 C ATOM 0 H LEU A 41 0.699 -0.404 -12.701 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.373 0.493 -10.109 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.288 0.660 -11.526 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.907 1.788 -10.240 1.00 0.00 H new ATOM 0 HG LEU A 41 1.365 -0.375 -8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.723 -2.309 -9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.481 -1.934 -10.726 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.176 -1.472 -11.012 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.731 -0.473 -8.150 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.196 0.405 -9.626 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.196 1.207 -8.392 1.00 0.00 H new ATOM 221 N THR A 42 -1.584 2.258 -11.569 1.00 0.00 N ATOM 222 CA THR A 42 -2.165 3.509 -12.043 1.00 0.00 C ATOM 223 C THR A 42 -1.917 4.641 -11.052 1.00 0.00 C ATOM 224 O THR A 42 -1.799 4.428 -9.847 1.00 0.00 O ATOM 225 CB THR A 42 -3.679 3.371 -12.284 1.00 0.00 C ATOM 226 OG1 THR A 42 -4.343 3.127 -11.037 1.00 0.00 O ATOM 227 CG2 THR A 42 -3.967 2.225 -13.241 1.00 0.00 C ATOM 0 H THR A 42 -2.267 1.564 -11.265 1.00 0.00 H new ATOM 0 HA THR A 42 -1.677 3.746 -12.988 1.00 0.00 H new ATOM 0 HB THR A 42 -4.047 4.298 -12.725 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.312 3.199 -11.163 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.043 2.144 -13.398 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.474 2.415 -14.194 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.591 1.294 -12.817 1.00 0.00 H new ATOM 235 N PRO A 43 -1.838 5.875 -11.573 1.00 0.00 N ATOM 236 CA PRO A 43 -1.712 7.076 -10.742 1.00 0.00 C ATOM 237 C PRO A 43 -2.880 7.240 -9.779 1.00 0.00 C ATOM 238 O PRO A 43 -2.739 7.837 -8.713 1.00 0.00 O ATOM 239 CB PRO A 43 -1.647 8.222 -11.757 1.00 0.00 C ATOM 240 CG PRO A 43 -2.275 7.664 -12.987 1.00 0.00 C ATOM 241 CD PRO A 43 -1.891 6.209 -13.008 1.00 0.00 C ATOM 0 HA PRO A 43 -0.835 7.037 -10.096 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.185 9.100 -11.400 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.618 8.531 -11.941 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.358 7.784 -12.964 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.916 8.178 -13.879 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.625 5.603 -13.539 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.931 6.049 -13.498 1.00 0.00 H new ATOM 249 N GLN A 44 -4.037 6.706 -10.161 1.00 0.00 N ATOM 250 CA GLN A 44 -5.196 6.681 -9.278 1.00 0.00 C ATOM 251 C GLN A 44 -4.968 5.732 -8.105 1.00 0.00 C ATOM 252 O GLN A 44 -5.194 6.092 -6.950 1.00 0.00 O ATOM 253 CB GLN A 44 -6.450 6.261 -10.050 1.00 0.00 C ATOM 254 CG GLN A 44 -7.723 6.265 -9.220 1.00 0.00 C ATOM 255 CD GLN A 44 -8.079 7.650 -8.716 1.00 0.00 C ATOM 256 OE1 GLN A 44 -8.035 8.629 -9.466 1.00 0.00 O ATOM 257 NE2 GLN A 44 -8.433 7.742 -7.439 1.00 0.00 N ATOM 0 H GLN A 44 -4.195 6.285 -11.077 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.340 7.688 -8.887 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.581 6.931 -10.900 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.296 5.260 -10.454 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.546 5.877 -9.820 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.602 5.592 -8.371 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.456 6.906 -6.855 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.682 8.648 -7.043 1.00 0.00 H new ATOM 266 N GLU A 45 -4.519 4.518 -8.411 1.00 0.00 N ATOM 267 CA GLU A 45 -4.333 3.493 -7.392 1.00 0.00 C ATOM 268 C GLU A 45 -3.202 3.871 -6.441 1.00 0.00 C ATOM 269 O GLU A 45 -3.212 3.500 -5.267 1.00 0.00 O ATOM 270 CB GLU A 45 -4.051 2.137 -8.038 1.00 0.00 C ATOM 271 CG GLU A 45 -5.282 1.439 -8.600 1.00 0.00 C ATOM 272 CD GLU A 45 -4.916 0.145 -9.272 1.00 0.00 C ATOM 273 OE1 GLU A 45 -3.752 -0.175 -9.311 1.00 0.00 O ATOM 274 OE2 GLU A 45 -5.808 -0.579 -9.648 1.00 0.00 O ATOM 0 H GLU A 45 -4.278 4.221 -9.357 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.255 3.419 -6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.328 2.275 -8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.585 1.486 -7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.992 1.246 -7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.780 2.094 -9.315 1.00 0.00 H new ATOM 281 N LEU A 46 -2.226 4.609 -6.957 1.00 0.00 N ATOM 282 CA LEU A 46 -1.060 4.997 -6.170 1.00 0.00 C ATOM 283 C LEU A 46 -1.369 6.214 -5.304 1.00 0.00 C ATOM 284 O LEU A 46 -1.006 6.260 -4.129 1.00 0.00 O ATOM 285 CB LEU A 46 0.133 5.283 -7.090 1.00 0.00 C ATOM 286 CG LEU A 46 0.699 4.059 -7.824 1.00 0.00 C ATOM 287 CD1 LEU A 46 1.826 4.484 -8.756 1.00 0.00 C ATOM 288 CD2 LEU A 46 1.195 3.041 -6.806 1.00 0.00 C ATOM 0 H LEU A 46 -2.218 4.951 -7.918 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.802 4.168 -5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.169 6.024 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.930 5.732 -6.497 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.086 3.600 -8.426 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.221 3.609 -9.272 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.444 5.195 -9.488 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.621 4.952 -8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.597 2.172 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.976 3.490 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.367 2.731 -6.168 1.00 0.00 H new ATOM 300 N GLU A 47 -2.041 7.199 -5.894 1.00 0.00 N ATOM 301 CA GLU A 47 -2.354 8.436 -5.191 1.00 0.00 C ATOM 302 C GLU A 47 -3.350 8.185 -4.064 1.00 0.00 C ATOM 303 O GLU A 47 -3.222 8.739 -2.971 1.00 0.00 O ATOM 304 CB GLU A 47 -2.910 9.480 -6.164 1.00 0.00 C ATOM 305 CG GLU A 47 -1.860 10.129 -7.056 1.00 0.00 C ATOM 306 CD GLU A 47 -0.824 10.854 -6.242 1.00 0.00 C ATOM 307 OE1 GLU A 47 -1.199 11.602 -5.370 1.00 0.00 O ATOM 308 OE2 GLU A 47 0.339 10.579 -6.415 1.00 0.00 O ATOM 0 H GLU A 47 -2.378 7.163 -6.856 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.431 8.818 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.663 9.007 -6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.416 10.259 -5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.377 9.366 -7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.342 10.827 -7.740 1.00 0.00 H new ATOM 315 N LEU A 48 -4.342 7.344 -4.336 1.00 0.00 N ATOM 316 CA LEU A 48 -5.377 7.038 -3.354 1.00 0.00 C ATOM 317 C LEU A 48 -4.801 6.244 -2.186 1.00 0.00 C ATOM 318 O LEU A 48 -5.335 6.274 -1.077 1.00 0.00 O ATOM 319 CB LEU A 48 -6.513 6.253 -4.009 1.00 0.00 C ATOM 320 CG LEU A 48 -6.295 4.745 -4.149 1.00 0.00 C ATOM 321 CD1 LEU A 48 -6.577 4.041 -2.832 1.00 0.00 C ATOM 322 CD2 LEU A 48 -7.169 4.180 -5.258 1.00 0.00 C ATOM 0 H LEU A 48 -4.452 6.862 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.770 7.980 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.422 6.416 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.689 6.668 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.252 4.571 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.417 2.969 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.907 4.425 -2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.610 4.223 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.000 3.106 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.218 4.365 -5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.916 4.663 -6.202 1.00 0.00 H new ATOM 334 N PHE A 49 -3.709 5.533 -2.442 1.00 0.00 N ATOM 335 CA PHE A 49 -3.031 4.771 -1.400 1.00 0.00 C ATOM 336 C PHE A 49 -2.305 5.700 -0.432 1.00 0.00 C ATOM 337 O PHE A 49 -2.511 5.636 0.781 1.00 0.00 O ATOM 338 CB PHE A 49 -2.045 3.778 -2.018 1.00 0.00 C ATOM 339 CG PHE A 49 -1.316 2.938 -1.008 1.00 0.00 C ATOM 340 CD1 PHE A 49 -1.857 1.742 -0.559 1.00 0.00 C ATOM 341 CD2 PHE A 49 -0.090 3.342 -0.504 1.00 0.00 C ATOM 342 CE1 PHE A 49 -1.188 0.969 0.371 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.582 2.571 0.424 1.00 0.00 C ATOM 344 CZ PHE A 49 0.032 1.383 0.863 1.00 0.00 C ATOM 0 H PHE A 49 -3.274 5.468 -3.362 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.785 4.216 -0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.585 3.122 -2.701 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.316 4.327 -2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.812 1.411 -0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.345 4.271 -0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.621 0.040 0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.538 2.897 0.806 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.556 0.780 1.590 1.00 0.00 H new ATOM 354 N LYS A 50 -1.454 6.564 -0.975 1.00 0.00 N ATOM 355 CA LYS A 50 -0.754 7.558 -0.171 1.00 0.00 C ATOM 356 C LYS A 50 -1.735 8.555 0.438 1.00 0.00 C ATOM 357 O LYS A 50 -1.455 9.167 1.468 1.00 0.00 O ATOM 358 CB LYS A 50 0.292 8.291 -1.013 1.00 0.00 C ATOM 359 CG LYS A 50 -0.285 9.086 -2.177 1.00 0.00 C ATOM 360 CD LYS A 50 0.805 9.835 -2.929 1.00 0.00 C ATOM 361 CE LYS A 50 1.661 8.887 -3.758 1.00 0.00 C ATOM 362 NZ LYS A 50 2.478 9.613 -4.766 1.00 0.00 N ATOM 0 H LYS A 50 -1.232 6.596 -1.970 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.246 7.037 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.851 8.968 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.003 7.563 -1.403 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.803 8.412 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.025 9.794 -1.805 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.352 10.582 -3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.436 10.371 -2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.318 8.321 -3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.018 8.166 -4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.120 8.945 -5.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.851 10.050 -5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.035 10.353 -4.293 1.00 0.00 H new ATOM 376 N ARG A 51 -2.886 8.713 -0.207 1.00 0.00 N ATOM 377 CA ARG A 51 -3.973 9.510 0.351 1.00 0.00 C ATOM 378 C ARG A 51 -4.691 8.747 1.460 1.00 0.00 C ATOM 379 O ARG A 51 -5.139 9.338 2.444 1.00 0.00 O ATOM 380 CB ARG A 51 -4.942 9.990 -0.718 1.00 0.00 C ATOM 381 CG ARG A 51 -6.004 10.963 -0.229 1.00 0.00 C ATOM 382 CD ARG A 51 -6.835 11.556 -1.308 1.00 0.00 C ATOM 383 NE ARG A 51 -7.873 12.460 -0.840 1.00 0.00 N ATOM 384 CZ ARG A 51 -7.654 13.714 -0.396 1.00 0.00 C ATOM 385 NH1 ARG A 51 -6.435 14.202 -0.322 1.00 0.00 N ATOM 386 NH2 ARG A 51 -8.695 14.432 -0.014 1.00 0.00 N ATOM 0 H ARG A 51 -3.090 8.300 -1.117 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.529 10.404 0.790 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.373 10.467 -1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.438 9.123 -1.154 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.657 10.446 0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.517 11.768 0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.184 12.095 -1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.301 10.750 -1.875 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.835 12.121 -0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.639 13.630 -0.603 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.286 15.153 0.016 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.633 14.034 -0.060 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.561 15.384 0.327 1.00 0.00 H new ATOM 400 N ALA A 52 -4.799 7.434 1.294 1.00 0.00 N ATOM 401 CA ALA A 52 -5.418 6.584 2.305 1.00 0.00 C ATOM 402 C ALA A 52 -4.542 6.484 3.549 1.00 0.00 C ATOM 403 O ALA A 52 -5.046 6.391 4.667 1.00 0.00 O ATOM 404 CB ALA A 52 -5.689 5.200 1.736 1.00 0.00 C ATOM 0 H ALA A 52 -4.466 6.935 0.469 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.366 7.038 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.151 4.576 2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.360 5.283 0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.750 4.747 1.417 1.00 0.00 H new ATOM 410 N MET A 53 -3.229 6.505 3.347 1.00 0.00 N ATOM 411 CA MET A 53 -2.284 6.365 4.449 1.00 0.00 C ATOM 412 C MET A 53 -1.880 7.731 4.994 1.00 0.00 C ATOM 413 O MET A 53 -1.377 7.840 6.111 1.00 0.00 O ATOM 414 CB MET A 53 -1.049 5.590 3.993 1.00 0.00 C ATOM 415 CG MET A 53 -1.341 4.187 3.480 1.00 0.00 C ATOM 416 SD MET A 53 -2.035 3.112 4.752 1.00 0.00 S ATOM 417 CE MET A 53 -2.243 1.590 3.832 1.00 0.00 C ATOM 0 H MET A 53 -2.795 6.618 2.431 1.00 0.00 H new ATOM 0 HA MET A 53 -2.772 5.809 5.249 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.551 6.155 3.205 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.350 5.521 4.827 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.036 4.248 2.643 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.421 3.745 3.099 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.030 0.992 4.292 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.518 1.822 2.803 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.308 1.029 3.841 1.00 0.00 H new ATOM 427 N GLY A 54 -2.104 8.773 4.197 1.00 0.00 N ATOM 428 CA GLY A 54 -1.746 10.115 4.614 1.00 0.00 C ATOM 429 C GLY A 54 -0.244 10.322 4.675 1.00 0.00 C ATOM 430 O GLY A 54 0.273 10.875 5.645 1.00 0.00 O ATOM 0 H GLY A 54 -2.527 8.710 3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.181 10.836 3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.177 10.315 5.595 1.00 0.00 H new ATOM 434 N ILE A 55 0.454 9.875 3.637 1.00 0.00 N ATOM 435 CA ILE A 55 1.912 9.845 3.656 1.00 0.00 C ATOM 436 C ILE A 55 2.493 11.248 3.526 1.00 0.00 C ATOM 437 O ILE A 55 2.182 11.977 2.584 1.00 0.00 O ATOM 438 CB ILE A 55 2.473 8.960 2.527 1.00 0.00 C ATOM 439 CG1 ILE A 55 2.017 7.510 2.710 1.00 0.00 C ATOM 440 CG2 ILE A 55 3.990 9.045 2.489 1.00 0.00 C ATOM 441 CD1 ILE A 55 2.398 6.602 1.563 1.00 0.00 C ATOM 0 H ILE A 55 0.035 9.529 2.774 1.00 0.00 H new ATOM 0 HA ILE A 55 2.206 9.421 4.616 1.00 0.00 H new ATOM 0 HB ILE A 55 2.086 9.324 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.448 7.117 3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.934 7.492 2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.370 8.414 1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.292 10.077 2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.397 8.705 3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.041 5.592 1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.945 6.970 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.482 6.589 1.454 1.00 0.00 H new ATOM 453 N THR A 56 3.342 11.621 4.479 1.00 0.00 N ATOM 454 CA THR A 56 3.944 12.948 4.489 1.00 0.00 C ATOM 455 C THR A 56 5.399 12.894 4.036 1.00 0.00 C ATOM 456 O THR A 56 6.049 11.849 4.075 1.00 0.00 O ATOM 457 CB THR A 56 3.875 13.589 5.887 1.00 0.00 C ATOM 458 OG1 THR A 56 4.696 12.847 6.798 1.00 0.00 O ATOM 459 CG2 THR A 56 2.442 13.602 6.397 1.00 0.00 C ATOM 0 H THR A 56 3.628 11.022 5.254 1.00 0.00 H new ATOM 0 HA THR A 56 3.371 13.559 3.792 1.00 0.00 H new ATOM 0 HB THR A 56 4.235 14.616 5.817 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.841 11.944 6.446 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.412 14.059 7.386 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.818 14.177 5.713 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.068 12.580 6.458 1.00 0.00 H new ATOM 467 N PRO A 57 5.927 14.048 3.598 1.00 0.00 N ATOM 468 CA PRO A 57 7.334 14.177 3.209 1.00 0.00 C ATOM 469 C PRO A 57 8.285 13.816 4.344 1.00 0.00 C ATOM 470 O PRO A 57 9.453 13.499 4.111 1.00 0.00 O ATOM 471 CB PRO A 57 7.470 15.647 2.799 1.00 0.00 C ATOM 472 CG PRO A 57 6.318 16.324 3.459 1.00 0.00 C ATOM 473 CD PRO A 57 5.195 15.322 3.429 1.00 0.00 C ATOM 0 HA PRO A 57 7.602 13.491 2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.420 16.066 3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.431 15.763 1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.563 16.609 4.482 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.044 17.237 2.931 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.475 15.490 4.230 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.642 15.355 2.491 1.00 0.00 H new ATOM 481 N HIS A 58 7.780 13.866 5.571 1.00 0.00 N ATOM 482 CA HIS A 58 8.553 13.440 6.734 1.00 0.00 C ATOM 483 C HIS A 58 8.799 11.935 6.702 1.00 0.00 C ATOM 484 O HIS A 58 9.924 11.476 6.890 1.00 0.00 O ATOM 485 CB HIS A 58 7.837 13.828 8.033 1.00 0.00 C ATOM 486 CG HIS A 58 8.547 13.372 9.270 1.00 0.00 C ATOM 487 ND1 HIS A 58 9.720 13.951 9.710 1.00 0.00 N ATOM 488 CD2 HIS A 58 8.253 12.394 10.159 1.00 0.00 C ATOM 489 CE1 HIS A 58 10.114 13.348 10.818 1.00 0.00 C ATOM 490 NE2 HIS A 58 9.243 12.400 11.111 1.00 0.00 N ATOM 0 H HIS A 58 6.840 14.197 5.787 1.00 0.00 H new ATOM 0 HA HIS A 58 9.516 13.949 6.700 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.726 14.912 8.067 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.832 13.405 8.024 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.400 11.733 10.126 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.999 13.590 11.388 1.00 0.00 H new ATOM 0 HE2 HIS A 58 9.297 11.774 11.914 1.00 0.00 H new ATOM 498 N ASN A 59 7.738 11.172 6.462 1.00 0.00 N ATOM 499 CA ASN A 59 7.832 9.716 6.441 1.00 0.00 C ATOM 500 C ASN A 59 7.625 9.178 5.028 1.00 0.00 C ATOM 501 O ASN A 59 7.249 8.021 4.841 1.00 0.00 O ATOM 502 CB ASN A 59 6.841 9.081 7.399 1.00 0.00 C ATOM 503 CG ASN A 59 5.404 9.343 7.044 1.00 0.00 C ATOM 504 OD1 ASN A 59 5.100 10.132 6.142 1.00 0.00 O ATOM 505 ND2 ASN A 59 4.518 8.748 7.802 1.00 0.00 N ATOM 0 H ASN A 59 6.803 11.537 6.279 1.00 0.00 H new ATOM 0 HA ASN A 59 8.836 9.449 6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.010 8.004 7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.031 9.455 8.405 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.524 8.927 7.661 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.822 8.105 8.533 1.00 0.00 H new ATOM 512 N TYR A 60 7.872 10.026 4.035 1.00 0.00 N ATOM 513 CA TYR A 60 7.786 9.615 2.638 1.00 0.00 C ATOM 514 C TYR A 60 8.832 8.551 2.319 1.00 0.00 C ATOM 515 O TYR A 60 8.522 7.522 1.718 1.00 0.00 O ATOM 516 CB TYR A 60 7.962 10.821 1.712 1.00 0.00 C ATOM 517 CG TYR A 60 7.838 10.486 0.242 1.00 0.00 C ATOM 518 CD1 TYR A 60 6.597 10.394 -0.366 1.00 0.00 C ATOM 519 CD2 TYR A 60 8.968 10.267 -0.533 1.00 0.00 C ATOM 520 CE1 TYR A 60 6.478 10.089 -1.708 1.00 0.00 C ATOM 521 CE2 TYR A 60 8.862 9.962 -1.877 1.00 0.00 C ATOM 522 CZ TYR A 60 7.615 9.874 -2.461 1.00 0.00 C ATOM 523 OH TYR A 60 7.504 9.572 -3.798 1.00 0.00 O ATOM 0 H TYR A 60 8.133 11.002 4.172 1.00 0.00 H new ATOM 0 HA TYR A 60 6.797 9.187 2.473 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.217 11.575 1.967 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.941 11.266 1.892 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.706 10.564 0.220 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.946 10.336 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.502 10.019 -2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.751 9.793 -2.467 1.00 0.00 H new ATOM 0 HH TYR A 60 8.398 9.452 -4.182 1.00 0.00 H new ATOM 533 N TRP A 61 10.070 8.806 2.727 1.00 0.00 N ATOM 534 CA TRP A 61 11.162 7.870 2.485 1.00 0.00 C ATOM 535 C TRP A 61 11.030 6.638 3.373 1.00 0.00 C ATOM 536 O TRP A 61 11.603 5.588 3.080 1.00 0.00 O ATOM 537 CB TRP A 61 12.511 8.549 2.722 1.00 0.00 C ATOM 538 CG TRP A 61 12.700 9.031 4.128 1.00 0.00 C ATOM 539 CD1 TRP A 61 12.389 10.265 4.616 1.00 0.00 C ATOM 540 CD2 TRP A 61 13.239 8.288 5.229 1.00 0.00 C ATOM 541 NE1 TRP A 61 12.703 10.340 5.951 1.00 0.00 N ATOM 542 CE2 TRP A 61 13.225 9.136 6.351 1.00 0.00 C ATOM 543 CE3 TRP A 61 13.734 6.986 5.373 1.00 0.00 C ATOM 544 CZ2 TRP A 61 13.686 8.731 7.595 1.00 0.00 C ATOM 545 CZ3 TRP A 61 14.192 6.580 6.620 1.00 0.00 C ATOM 546 CH2 TRP A 61 14.169 7.427 7.699 1.00 0.00 C ATOM 0 H TRP A 61 10.343 9.652 3.227 1.00 0.00 H new ATOM 0 HA TRP A 61 11.108 7.550 1.444 1.00 0.00 H new ATOM 0 HB2 TRP A 61 13.309 7.849 2.476 1.00 0.00 H new ATOM 0 HB3 TRP A 61 12.608 9.394 2.041 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.958 11.068 4.037 1.00 0.00 H new ATOM 0 HE1 TRP A 61 12.570 11.157 6.547 1.00 0.00 H new ATOM 0 HE3 TRP A 61 13.759 6.310 4.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.671 9.396 8.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.574 5.577 6.743 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.534 7.075 8.653 1.00 0.00 H new ATOM 557 N GLN A 62 10.274 6.773 4.458 1.00 0.00 N ATOM 558 CA GLN A 62 9.979 5.643 5.328 1.00 0.00 C ATOM 559 C GLN A 62 8.945 4.719 4.691 1.00 0.00 C ATOM 560 O GLN A 62 9.023 3.498 4.825 1.00 0.00 O ATOM 561 CB GLN A 62 9.470 6.130 6.688 1.00 0.00 C ATOM 562 CG GLN A 62 10.527 6.817 7.537 1.00 0.00 C ATOM 563 CD GLN A 62 10.000 7.218 8.903 1.00 0.00 C ATOM 564 OE1 GLN A 62 8.830 6.995 9.222 1.00 0.00 O ATOM 565 NE2 GLN A 62 10.864 7.816 9.715 1.00 0.00 N ATOM 0 H GLN A 62 9.855 7.654 4.755 1.00 0.00 H new ATOM 0 HA GLN A 62 10.903 5.084 5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.643 6.821 6.528 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.072 5.279 7.241 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.380 6.150 7.661 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.889 7.703 7.015 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.823 7.980 9.408 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.569 8.111 10.646 1.00 0.00 H new ATOM 574 N TRP A 63 7.979 5.311 3.999 1.00 0.00 N ATOM 575 CA TRP A 63 6.997 4.539 3.244 1.00 0.00 C ATOM 576 C TRP A 63 7.585 4.052 1.926 1.00 0.00 C ATOM 577 O TRP A 63 7.138 3.050 1.369 1.00 0.00 O ATOM 578 CB TRP A 63 5.750 5.385 2.979 1.00 0.00 C ATOM 579 CG TRP A 63 4.710 5.265 4.053 1.00 0.00 C ATOM 580 CD1 TRP A 63 4.532 6.105 5.115 1.00 0.00 C ATOM 581 CD2 TRP A 63 3.712 4.248 4.171 1.00 0.00 C ATOM 582 NE1 TRP A 63 3.480 5.669 5.886 1.00 0.00 N ATOM 583 CE2 TRP A 63 2.959 4.532 5.326 1.00 0.00 C ATOM 584 CE3 TRP A 63 3.377 3.124 3.408 1.00 0.00 C ATOM 585 CZ2 TRP A 63 1.897 3.733 5.738 1.00 0.00 C ATOM 586 CZ3 TRP A 63 2.321 2.332 3.818 1.00 0.00 C ATOM 587 CH2 TRP A 63 1.592 2.640 4.975 1.00 0.00 C ATOM 0 H TRP A 63 7.854 6.322 3.944 1.00 0.00 H new ATOM 0 HA TRP A 63 6.719 3.669 3.839 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.043 6.430 2.882 1.00 0.00 H new ATOM 0 HB3 TRP A 63 5.313 5.087 2.026 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.129 6.982 5.319 1.00 0.00 H new ATOM 0 HE1 TRP A 63 3.142 6.119 6.737 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.933 2.880 2.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.333 3.968 6.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.053 1.462 3.237 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.773 2.001 5.270 1.00 0.00 H new ATOM 598 N ALA A 64 8.592 4.764 1.432 1.00 0.00 N ATOM 599 CA ALA A 64 9.309 4.346 0.233 1.00 0.00 C ATOM 600 C ALA A 64 10.039 3.028 0.462 1.00 0.00 C ATOM 601 O ALA A 64 10.073 2.164 -0.415 1.00 0.00 O ATOM 602 CB ALA A 64 10.287 5.427 -0.200 1.00 0.00 C ATOM 0 H ALA A 64 8.930 5.634 1.844 1.00 0.00 H new ATOM 0 HA ALA A 64 8.580 4.193 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.815 5.102 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.742 6.346 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.006 5.609 0.599 1.00 0.00 H new ATOM 608 N SER A 65 10.625 2.879 1.646 1.00 0.00 N ATOM 609 CA SER A 65 11.292 1.637 2.018 1.00 0.00 C ATOM 610 C SER A 65 10.273 0.567 2.399 1.00 0.00 C ATOM 611 O SER A 65 10.539 -0.629 2.284 1.00 0.00 O ATOM 612 CB SER A 65 12.257 1.884 3.162 1.00 0.00 C ATOM 613 OG SER A 65 11.593 2.236 4.345 1.00 0.00 O ATOM 0 H SER A 65 10.651 3.603 2.364 1.00 0.00 H new ATOM 0 HA SER A 65 11.855 1.276 1.157 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.852 0.987 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.950 2.678 2.886 1.00 0.00 H new ATOM 0 HG SER A 65 10.719 2.622 4.127 1.00 0.00 H new ATOM 619 N ARG A 66 9.103 1.008 2.851 1.00 0.00 N ATOM 620 CA ARG A 66 8.016 0.092 3.179 1.00 0.00 C ATOM 621 C ARG A 66 7.417 -0.516 1.915 1.00 0.00 C ATOM 622 O ARG A 66 7.086 -1.700 1.877 1.00 0.00 O ATOM 623 CB ARG A 66 6.951 0.750 4.044 1.00 0.00 C ATOM 624 CG ARG A 66 5.738 -0.120 4.334 1.00 0.00 C ATOM 625 CD ARG A 66 6.045 -1.378 5.060 1.00 0.00 C ATOM 626 NE ARG A 66 6.522 -1.188 6.421 1.00 0.00 N ATOM 627 CZ ARG A 66 6.999 -2.173 7.208 1.00 0.00 C ATOM 628 NH1 ARG A 66 7.028 -3.418 6.792 1.00 0.00 N ATOM 629 NH2 ARG A 66 7.413 -1.854 8.423 1.00 0.00 N ATOM 0 H ARG A 66 8.884 1.993 2.998 1.00 0.00 H new ATOM 0 HA ARG A 66 8.441 -0.717 3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.403 1.045 4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.616 1.663 3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.023 0.458 4.920 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.251 -0.369 3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.147 -1.996 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.797 -1.932 4.499 1.00 0.00 H new ATOM 0 HE ARG A 66 6.494 -0.244 6.807 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.686 -3.652 5.860 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.392 -4.151 7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.366 -0.886 8.740 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.779 -2.576 9.043 1.00 0.00 H new ATOM 643 N THR A 67 7.280 0.306 0.878 1.00 0.00 N ATOM 644 CA THR A 67 6.519 -0.078 -0.304 1.00 0.00 C ATOM 645 C THR A 67 7.443 -0.414 -1.468 1.00 0.00 C ATOM 646 O THR A 67 7.001 -0.534 -2.609 1.00 0.00 O ATOM 647 CB THR A 67 5.549 1.037 -0.737 1.00 0.00 C ATOM 648 OG1 THR A 67 6.283 2.239 -1.001 1.00 0.00 O ATOM 649 CG2 THR A 67 4.521 1.304 0.353 1.00 0.00 C ATOM 0 H THR A 67 7.686 1.241 0.834 1.00 0.00 H new ATOM 0 HA THR A 67 5.943 -0.963 -0.034 1.00 0.00 H new ATOM 0 HB THR A 67 5.031 0.715 -1.640 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.426 2.726 -0.163 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.844 2.095 0.029 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.951 0.395 0.546 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.030 1.614 1.266 1.00 0.00 H new ATOM 657 N ASN A 68 8.730 -0.568 -1.171 1.00 0.00 N ATOM 658 CA ASN A 68 9.716 -0.905 -2.192 1.00 0.00 C ATOM 659 C ASN A 68 9.633 0.062 -3.370 1.00 0.00 C ATOM 660 O ASN A 68 9.381 -0.344 -4.502 1.00 0.00 O ATOM 661 CB ASN A 68 9.551 -2.336 -2.671 1.00 0.00 C ATOM 662 CG ASN A 68 10.714 -2.841 -3.479 1.00 0.00 C ATOM 663 OD1 ASN A 68 11.822 -2.294 -3.418 1.00 0.00 O ATOM 664 ND2 ASN A 68 10.449 -3.828 -4.296 1.00 0.00 N ATOM 0 H ASN A 68 9.114 -0.465 -0.232 1.00 0.00 H new ATOM 0 HA ASN A 68 10.702 -0.813 -1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.411 -2.985 -1.807 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.645 -2.406 -3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.173 -4.181 -4.922 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.518 -4.245 -4.307 1.00 0.00 H new ATOM 671 N ASN A 69 9.846 1.344 -3.091 1.00 0.00 N ATOM 672 CA ASN A 69 9.741 2.377 -4.114 1.00 0.00 C ATOM 673 C ASN A 69 8.301 2.518 -4.599 1.00 0.00 C ATOM 674 O ASN A 69 8.053 2.770 -5.778 1.00 0.00 O ATOM 675 CB ASN A 69 10.666 2.096 -5.285 1.00 0.00 C ATOM 676 CG ASN A 69 11.021 3.320 -6.081 1.00 0.00 C ATOM 677 OD1 ASN A 69 11.048 4.441 -5.558 1.00 0.00 O ATOM 678 ND2 ASN A 69 11.214 3.125 -7.361 1.00 0.00 N ATOM 0 H ASN A 69 10.092 1.692 -2.164 1.00 0.00 H new ATOM 0 HA ASN A 69 10.049 3.318 -3.659 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.582 1.638 -4.911 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.192 1.369 -5.945 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.397 3.918 -7.976 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.182 2.180 -7.744 1.00 0.00 H new ATOM 685 N PHE A 70 7.356 2.353 -3.680 1.00 0.00 N ATOM 686 CA PHE A 70 5.941 2.511 -4.000 1.00 0.00 C ATOM 687 C PHE A 70 5.550 1.629 -5.183 1.00 0.00 C ATOM 688 O PHE A 70 4.824 2.058 -6.080 1.00 0.00 O ATOM 689 CB PHE A 70 5.620 3.975 -4.305 1.00 0.00 C ATOM 690 CG PHE A 70 5.879 4.905 -3.154 1.00 0.00 C ATOM 691 CD1 PHE A 70 4.938 5.063 -2.147 1.00 0.00 C ATOM 692 CD2 PHE A 70 7.064 5.620 -3.074 1.00 0.00 C ATOM 693 CE1 PHE A 70 5.174 5.918 -1.088 1.00 0.00 C ATOM 694 CE2 PHE A 70 7.303 6.476 -2.015 1.00 0.00 C ATOM 695 CZ PHE A 70 6.358 6.625 -1.022 1.00 0.00 C ATOM 0 H PHE A 70 7.544 2.110 -2.707 1.00 0.00 H new ATOM 0 HA PHE A 70 5.361 2.199 -3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 70 6.214 4.297 -5.161 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.573 4.055 -4.596 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.011 4.511 -2.191 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.809 5.507 -3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.432 6.033 -0.312 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.230 7.028 -1.965 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.544 7.293 -0.194 1.00 0.00 H new ATOM 705 N LYS A 71 6.035 0.391 -5.176 1.00 0.00 N ATOM 706 CA LYS A 71 5.640 -0.591 -6.177 1.00 0.00 C ATOM 707 C LYS A 71 4.567 -1.525 -5.628 1.00 0.00 C ATOM 708 O LYS A 71 4.875 -2.552 -5.020 1.00 0.00 O ATOM 709 CB LYS A 71 6.852 -1.397 -6.645 1.00 0.00 C ATOM 710 CG LYS A 71 7.785 -0.643 -7.584 1.00 0.00 C ATOM 711 CD LYS A 71 7.048 -0.157 -8.824 1.00 0.00 C ATOM 712 CE LYS A 71 6.317 -1.297 -9.518 1.00 0.00 C ATOM 713 NZ LYS A 71 7.261 -2.301 -10.081 1.00 0.00 N ATOM 0 H LYS A 71 6.703 0.045 -4.487 1.00 0.00 H new ATOM 0 HA LYS A 71 5.225 -0.055 -7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.418 -1.719 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.501 -2.299 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.221 0.208 -7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.609 -1.292 -7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.334 0.618 -8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.757 0.297 -9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.649 -1.785 -8.808 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.695 -0.896 -10.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.113 -2.379 -11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.239 -2.001 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.091 -3.225 -9.635 1.00 0.00 H new ATOM 727 N LEU A 72 3.307 -1.164 -5.844 1.00 0.00 N ATOM 728 CA LEU A 72 2.189 -1.904 -5.269 1.00 0.00 C ATOM 729 C LEU A 72 1.386 -2.610 -6.358 1.00 0.00 C ATOM 730 O LEU A 72 1.023 -2.005 -7.368 1.00 0.00 O ATOM 731 CB LEU A 72 1.287 -0.960 -4.463 1.00 0.00 C ATOM 732 CG LEU A 72 1.970 -0.250 -3.288 1.00 0.00 C ATOM 733 CD1 LEU A 72 1.058 0.834 -2.732 1.00 0.00 C ATOM 734 CD2 LEU A 72 2.317 -1.267 -2.211 1.00 0.00 C ATOM 0 H LEU A 72 3.034 -0.363 -6.413 1.00 0.00 H new ATOM 0 HA LEU A 72 2.589 -2.664 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.883 -0.205 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.441 -1.531 -4.080 1.00 0.00 H new ATOM 0 HG LEU A 72 2.890 0.222 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.552 1.332 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.841 1.563 -3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.127 0.384 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.802 -0.762 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.406 -1.752 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.992 -2.017 -2.623 1.00 0.00 H new ATOM 746 N LEU A 73 1.109 -3.892 -6.143 1.00 0.00 N ATOM 747 CA LEU A 73 0.272 -4.657 -7.060 1.00 0.00 C ATOM 748 C LEU A 73 -1.025 -5.090 -6.381 1.00 0.00 C ATOM 749 O LEU A 73 -1.082 -5.226 -5.159 1.00 0.00 O ATOM 750 CB LEU A 73 1.036 -5.879 -7.583 1.00 0.00 C ATOM 751 CG LEU A 73 2.300 -5.562 -8.391 1.00 0.00 C ATOM 752 CD1 LEU A 73 3.103 -6.834 -8.628 1.00 0.00 C ATOM 753 CD2 LEU A 73 1.911 -4.916 -9.713 1.00 0.00 C ATOM 0 H LEU A 73 1.452 -4.423 -5.342 1.00 0.00 H new ATOM 0 HA LEU A 73 0.015 -4.016 -7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.314 -6.504 -6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.364 -6.468 -8.207 1.00 0.00 H new ATOM 0 HG LEU A 73 2.923 -4.866 -7.830 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.998 -6.597 -9.203 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.391 -7.267 -7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.495 -7.550 -9.181 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.810 -4.691 -10.287 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.280 -5.600 -10.281 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.364 -3.993 -9.520 1.00 0.00 H new ATOM 765 N THR A 74 -2.064 -5.304 -7.182 1.00 0.00 N ATOM 766 CA THR A 74 -3.378 -5.648 -6.655 1.00 0.00 C ATOM 767 C THR A 74 -4.228 -6.345 -7.710 1.00 0.00 C ATOM 768 O THR A 74 -4.071 -6.103 -8.907 1.00 0.00 O ATOM 769 CB THR A 74 -4.126 -4.402 -6.146 1.00 0.00 C ATOM 770 OG1 THR A 74 -5.334 -4.803 -5.488 1.00 0.00 O ATOM 771 CG2 THR A 74 -4.465 -3.474 -7.302 1.00 0.00 C ATOM 0 H THR A 74 -2.020 -5.245 -8.199 1.00 0.00 H new ATOM 0 HA THR A 74 -3.214 -6.327 -5.819 1.00 0.00 H new ATOM 0 HB THR A 74 -3.482 -3.871 -5.445 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.196 -4.796 -4.518 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.993 -2.599 -6.923 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.546 -3.158 -7.796 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.099 -3.999 -8.017 1.00 0.00 H new ATOM 779 N ASP A 75 -5.130 -7.209 -7.258 1.00 0.00 N ATOM 780 CA ASP A 75 -6.101 -7.838 -8.148 1.00 0.00 C ATOM 781 C ASP A 75 -7.303 -8.356 -7.365 1.00 0.00 C ATOM 782 O ASP A 75 -7.344 -9.522 -6.973 1.00 0.00 O ATOM 783 CB ASP A 75 -5.449 -8.979 -8.934 1.00 0.00 C ATOM 784 CG ASP A 75 -6.340 -9.592 -10.007 1.00 0.00 C ATOM 785 OD1 ASP A 75 -7.488 -9.222 -10.081 1.00 0.00 O ATOM 786 OD2 ASP A 75 -5.829 -10.303 -10.838 1.00 0.00 O ATOM 0 H ASP A 75 -5.210 -7.490 -6.281 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.451 -7.083 -8.852 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.539 -8.607 -9.404 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.151 -9.761 -8.236 1.00 0.00 H new ATOM 791 N GLY A 76 -8.277 -7.481 -7.138 1.00 0.00 N ATOM 792 CA GLY A 76 -9.498 -7.888 -6.466 1.00 0.00 C ATOM 793 C GLY A 76 -9.255 -8.319 -5.033 1.00 0.00 C ATOM 794 O GLY A 76 -10.038 -9.082 -4.469 1.00 0.00 O ATOM 0 H GLY A 76 -8.243 -6.498 -7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.209 -7.062 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.956 -8.710 -7.017 1.00 0.00 H new ATOM 798 N GLU A 77 -8.166 -7.833 -4.446 1.00 0.00 N ATOM 799 CA GLU A 77 -7.708 -8.328 -3.153 1.00 0.00 C ATOM 800 C GLU A 77 -6.886 -7.270 -2.425 1.00 0.00 C ATOM 801 O GLU A 77 -6.790 -6.128 -2.873 1.00 0.00 O ATOM 802 CB GLU A 77 -6.887 -9.608 -3.328 1.00 0.00 C ATOM 803 CG GLU A 77 -7.714 -10.847 -3.642 1.00 0.00 C ATOM 804 CD GLU A 77 -8.583 -11.234 -2.478 1.00 0.00 C ATOM 805 OE1 GLU A 77 -8.382 -10.704 -1.410 1.00 0.00 O ATOM 806 OE2 GLU A 77 -9.518 -11.972 -2.679 1.00 0.00 O ATOM 0 H GLU A 77 -7.584 -7.097 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.586 -8.555 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.165 -9.455 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.318 -9.788 -2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.337 -10.659 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.051 -11.675 -3.895 1.00 0.00 H new ATOM 813 N TRP A 78 -6.298 -7.659 -1.299 1.00 0.00 N ATOM 814 CA TRP A 78 -5.378 -6.786 -0.577 1.00 0.00 C ATOM 815 C TRP A 78 -4.230 -6.343 -1.476 1.00 0.00 C ATOM 816 O TRP A 78 -3.674 -7.141 -2.229 1.00 0.00 O ATOM 817 CB TRP A 78 -4.829 -7.500 0.659 1.00 0.00 C ATOM 818 CG TRP A 78 -3.920 -8.646 0.326 1.00 0.00 C ATOM 819 CD1 TRP A 78 -3.756 -9.236 -0.895 1.00 0.00 C ATOM 820 CD2 TRP A 78 -3.053 -9.341 1.228 1.00 0.00 C ATOM 821 NE1 TRP A 78 -2.840 -10.255 -0.806 1.00 0.00 N ATOM 822 CE2 TRP A 78 -2.391 -10.339 0.486 1.00 0.00 C ATOM 823 CE3 TRP A 78 -2.767 -9.215 2.592 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -1.467 -11.205 1.063 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -1.849 -10.076 3.161 1.00 0.00 C ATOM 826 CH2 TRP A 78 -1.207 -11.061 2.399 1.00 0.00 C ATOM 0 H TRP A 78 -6.441 -8.572 -0.866 1.00 0.00 H new ATOM 0 HA TRP A 78 -5.929 -5.900 -0.261 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.287 -6.782 1.274 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -5.662 -7.868 1.258 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -4.271 -8.944 -1.798 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -2.542 -10.853 -1.577 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.255 -8.459 3.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.972 -11.965 0.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -1.622 -9.988 4.213 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.494 -11.718 2.874 1.00 0.00 H new ATOM 837 N VAL A 79 -3.880 -5.063 -1.394 1.00 0.00 N ATOM 838 CA VAL A 79 -2.709 -4.544 -2.090 1.00 0.00 C ATOM 839 C VAL A 79 -1.421 -4.971 -1.394 1.00 0.00 C ATOM 840 O VAL A 79 -1.286 -4.834 -0.179 1.00 0.00 O ATOM 841 CB VAL A 79 -2.745 -3.007 -2.187 1.00 0.00 C ATOM 842 CG1 VAL A 79 -1.513 -2.492 -2.917 1.00 0.00 C ATOM 843 CG2 VAL A 79 -4.011 -2.548 -2.894 1.00 0.00 C ATOM 0 H VAL A 79 -4.391 -4.366 -0.852 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.730 -4.962 -3.096 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.746 -2.597 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.554 -1.404 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.617 -2.792 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.485 -2.910 -3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.020 -1.460 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.038 -2.967 -3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.883 -2.888 -2.336 1.00 0.00 H new ATOM 853 N TRP A 80 -0.480 -5.491 -2.174 1.00 0.00 N ATOM 854 CA TRP A 80 0.783 -5.971 -1.628 1.00 0.00 C ATOM 855 C TRP A 80 1.966 -5.330 -2.344 1.00 0.00 C ATOM 856 O TRP A 80 1.857 -4.925 -3.503 1.00 0.00 O ATOM 857 CB TRP A 80 0.867 -7.495 -1.734 1.00 0.00 C ATOM 858 CG TRP A 80 1.036 -7.988 -3.140 1.00 0.00 C ATOM 859 CD1 TRP A 80 2.212 -8.191 -3.798 1.00 0.00 C ATOM 860 CD2 TRP A 80 -0.005 -8.342 -4.059 1.00 0.00 C ATOM 861 NE1 TRP A 80 1.970 -8.647 -5.069 1.00 0.00 N ATOM 862 CE2 TRP A 80 0.614 -8.749 -5.254 1.00 0.00 C ATOM 863 CE3 TRP A 80 -1.403 -8.353 -3.986 1.00 0.00 C ATOM 864 CZ2 TRP A 80 -0.107 -9.161 -6.363 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -2.127 -8.766 -5.098 1.00 0.00 C ATOM 866 CH2 TRP A 80 -1.498 -9.159 -6.252 1.00 0.00 C ATOM 0 H TRP A 80 -0.568 -5.591 -3.185 1.00 0.00 H new ATOM 0 HA TRP A 80 0.824 -5.688 -0.576 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.703 -7.848 -1.131 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.038 -7.931 -1.311 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.192 -8.018 -3.379 1.00 0.00 H new ATOM 0 HE1 TRP A 80 2.682 -8.873 -5.763 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.909 -8.046 -3.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.386 -9.470 -7.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -3.206 -8.778 -5.053 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.094 -9.475 -7.095 1.00 0.00 H new ATOM 877 N VAL A 81 3.098 -5.241 -1.652 1.00 0.00 N ATOM 878 CA VAL A 81 4.309 -4.677 -2.235 1.00 0.00 C ATOM 879 C VAL A 81 4.984 -5.672 -3.170 1.00 0.00 C ATOM 880 O VAL A 81 5.289 -6.798 -2.779 1.00 0.00 O ATOM 881 CB VAL A 81 5.311 -4.247 -1.147 1.00 0.00 C ATOM 882 CG1 VAL A 81 6.589 -3.716 -1.781 1.00 0.00 C ATOM 883 CG2 VAL A 81 4.694 -3.195 -0.238 1.00 0.00 C ATOM 0 H VAL A 81 3.201 -5.553 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 81 4.005 -3.798 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 81 5.560 -5.121 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.286 -3.417 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.043 -4.496 -2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.354 -2.855 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.417 -2.904 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.417 -2.321 -0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.806 -3.605 0.242 1.00 0.00 H new ATOM 893 N GLU A 82 5.215 -5.249 -4.409 1.00 0.00 N ATOM 894 CA GLU A 82 5.916 -6.080 -5.382 1.00 0.00 C ATOM 895 C GLU A 82 7.335 -6.387 -4.914 1.00 0.00 C ATOM 896 O GLU A 82 8.061 -5.497 -4.473 1.00 0.00 O ATOM 897 CB GLU A 82 5.946 -5.395 -6.750 1.00 0.00 C ATOM 898 CG GLU A 82 6.632 -6.203 -7.843 1.00 0.00 C ATOM 899 CD GLU A 82 6.547 -5.507 -9.172 1.00 0.00 C ATOM 900 OE1 GLU A 82 5.928 -4.473 -9.241 1.00 0.00 O ATOM 901 OE2 GLU A 82 7.196 -5.947 -10.093 1.00 0.00 O ATOM 0 H GLU A 82 4.927 -4.337 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 82 5.374 -7.021 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.922 -5.184 -7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.454 -4.436 -6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.678 -6.361 -7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.169 -7.187 -7.915 1.00 0.00 H new ATOM 908 N GLY A 83 7.722 -7.654 -5.013 1.00 0.00 N ATOM 909 CA GLY A 83 9.036 -8.067 -4.553 1.00 0.00 C ATOM 910 C GLY A 83 8.973 -8.895 -3.287 1.00 0.00 C ATOM 911 O GLY A 83 9.988 -9.421 -2.828 1.00 0.00 O ATOM 0 H GLY A 83 7.150 -8.403 -5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.527 -8.644 -5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.650 -7.184 -4.376 1.00 0.00 H new ATOM 915 N TYR A 84 7.779 -9.012 -2.716 1.00 0.00 N ATOM 916 CA TYR A 84 7.589 -9.769 -1.486 1.00 0.00 C ATOM 917 C TYR A 84 6.448 -10.772 -1.632 1.00 0.00 C ATOM 918 O TYR A 84 5.466 -10.723 -0.893 1.00 0.00 O ATOM 919 CB TYR A 84 7.314 -8.825 -0.312 1.00 0.00 C ATOM 920 CG TYR A 84 8.424 -7.831 -0.052 1.00 0.00 C ATOM 921 CD1 TYR A 84 9.547 -8.194 0.677 1.00 0.00 C ATOM 922 CD2 TYR A 84 8.345 -6.533 -0.533 1.00 0.00 C ATOM 923 CE1 TYR A 84 10.563 -7.292 0.919 1.00 0.00 C ATOM 924 CE2 TYR A 84 9.356 -5.621 -0.298 1.00 0.00 C ATOM 925 CZ TYR A 84 10.465 -6.005 0.429 1.00 0.00 C ATOM 926 OH TYR A 84 11.474 -5.101 0.667 1.00 0.00 O ATOM 0 H TYR A 84 6.927 -8.591 -3.087 1.00 0.00 H new ATOM 0 HA TYR A 84 8.507 -10.321 -1.286 1.00 0.00 H new ATOM 0 HB2 TYR A 84 6.390 -8.280 -0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.152 -9.418 0.588 1.00 0.00 H new ATOM 0 HD1 TYR A 84 9.628 -9.200 1.062 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.478 -6.230 -1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.430 -7.591 1.489 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.279 -4.614 -0.681 1.00 0.00 H new ATOM 0 HH TYR A 84 11.248 -4.242 0.252 1.00 0.00 H new ATOM 936 N GLU A 85 6.590 -11.681 -2.591 1.00 0.00 N ATOM 937 CA GLU A 85 5.732 -12.859 -2.657 1.00 0.00 C ATOM 938 C GLU A 85 5.924 -13.742 -1.429 1.00 0.00 C ATOM 939 O GLU A 85 5.045 -14.527 -1.073 1.00 0.00 O ATOM 940 CB GLU A 85 6.013 -13.658 -3.933 1.00 0.00 C ATOM 941 CG GLU A 85 5.552 -12.979 -5.214 1.00 0.00 C ATOM 942 CD GLU A 85 5.952 -13.774 -6.427 1.00 0.00 C ATOM 943 OE1 GLU A 85 6.619 -14.766 -6.269 1.00 0.00 O ATOM 944 OE2 GLU A 85 5.496 -13.452 -7.499 1.00 0.00 O ATOM 0 H GLU A 85 7.289 -11.625 -3.332 1.00 0.00 H new ATOM 0 HA GLU A 85 4.696 -12.520 -2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.085 -13.846 -4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.524 -14.629 -3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.469 -12.860 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.982 -11.979 -5.274 1.00 0.00 H new ATOM 951 N GLU A 86 7.079 -13.608 -0.785 1.00 0.00 N ATOM 952 CA GLU A 86 7.342 -14.309 0.467 1.00 0.00 C ATOM 953 C GLU A 86 6.495 -13.735 1.598 1.00 0.00 C ATOM 954 O GLU A 86 6.415 -14.311 2.684 1.00 0.00 O ATOM 955 CB GLU A 86 8.827 -14.230 0.826 1.00 0.00 C ATOM 956 CG GLU A 86 9.394 -12.817 0.849 1.00 0.00 C ATOM 957 CD GLU A 86 10.053 -12.471 -0.456 1.00 0.00 C ATOM 958 OE1 GLU A 86 9.455 -12.701 -1.481 1.00 0.00 O ATOM 959 OE2 GLU A 86 11.104 -11.876 -0.429 1.00 0.00 O ATOM 0 H GLU A 86 7.847 -13.021 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 86 7.071 -15.356 0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.976 -14.684 1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.394 -14.824 0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.594 -12.105 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.117 -12.726 1.659 1.00 0.00 H new ATOM 966 N HIS A 87 5.862 -12.595 1.337 1.00 0.00 N ATOM 967 CA HIS A 87 5.005 -11.953 2.327 1.00 0.00 C ATOM 968 C HIS A 87 3.534 -12.103 1.951 1.00 0.00 C ATOM 969 O HIS A 87 2.654 -11.562 2.622 1.00 0.00 O ATOM 970 CB HIS A 87 5.363 -10.470 2.475 1.00 0.00 C ATOM 971 CG HIS A 87 6.702 -10.234 3.099 1.00 0.00 C ATOM 972 ND1 HIS A 87 7.173 -8.972 3.394 1.00 0.00 N ATOM 973 CD2 HIS A 87 7.672 -11.097 3.485 1.00 0.00 C ATOM 974 CE1 HIS A 87 8.375 -9.069 3.934 1.00 0.00 C ATOM 975 NE2 HIS A 87 8.700 -10.347 4.001 1.00 0.00 N ATOM 0 H HIS A 87 5.927 -12.098 0.449 1.00 0.00 H new ATOM 0 HA HIS A 87 5.170 -12.448 3.284 1.00 0.00 H new ATOM 0 HB2 HIS A 87 5.343 -10.000 1.492 1.00 0.00 H new ATOM 0 HB3 HIS A 87 4.599 -9.979 3.078 1.00 0.00 H new ATOM 0 HD2 HIS A 87 7.642 -12.173 3.402 1.00 0.00 H new ATOM 0 HE1 HIS A 87 8.988 -8.243 4.264 1.00 0.00 H new ATOM 0 HE2 HIS A 87 9.574 -10.717 4.376 1.00 0.00 H new ATOM 983 N ILE A 88 3.276 -12.837 0.874 1.00 0.00 N ATOM 984 CA ILE A 88 1.908 -13.127 0.457 1.00 0.00 C ATOM 985 C ILE A 88 1.390 -14.397 1.124 1.00 0.00 C ATOM 986 O ILE A 88 1.977 -15.469 0.980 1.00 0.00 O ATOM 987 CB ILE A 88 1.804 -13.277 -1.070 1.00 0.00 C ATOM 988 CG1 ILE A 88 2.138 -11.954 -1.762 1.00 0.00 C ATOM 989 CG2 ILE A 88 0.412 -13.750 -1.464 1.00 0.00 C ATOM 990 CD1 ILE A 88 2.143 -12.037 -3.272 1.00 0.00 C ATOM 0 H ILE A 88 3.995 -13.242 0.274 1.00 0.00 H new ATOM 0 HA ILE A 88 1.295 -12.281 0.769 1.00 0.00 H new ATOM 0 HB ILE A 88 2.527 -14.026 -1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.415 -11.200 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.117 -11.615 -1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.355 -13.851 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.210 -14.715 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.328 -13.023 -1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.388 -11.060 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.887 -12.766 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.158 -12.345 -3.623 1.00 0.00 H new ATOM 1002 N GLY A 89 0.283 -14.269 1.849 1.00 0.00 N ATOM 1003 CA GLY A 89 -0.247 -15.393 2.598 1.00 0.00 C ATOM 1004 C GLY A 89 0.179 -15.374 4.051 1.00 0.00 C ATOM 1005 O GLY A 89 -0.306 -16.167 4.860 1.00 0.00 O ATOM 0 H GLY A 89 -0.256 -13.407 1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.335 -15.382 2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.087 -16.323 2.137 1.00 0.00 H new ATOM 1009 N LYS A 90 1.090 -14.468 4.389 1.00 0.00 N ATOM 1010 CA LYS A 90 1.613 -14.374 5.746 1.00 0.00 C ATOM 1011 C LYS A 90 0.796 -13.390 6.576 1.00 0.00 C ATOM 1012 O LYS A 90 0.141 -12.500 6.034 1.00 0.00 O ATOM 1013 CB LYS A 90 3.084 -13.955 5.730 1.00 0.00 C ATOM 1014 CG LYS A 90 4.061 -15.098 5.483 1.00 0.00 C ATOM 1015 CD LYS A 90 3.924 -15.648 4.072 1.00 0.00 C ATOM 1016 CE LYS A 90 3.207 -16.989 4.066 1.00 0.00 C ATOM 1017 NZ LYS A 90 3.069 -17.542 2.691 1.00 0.00 N ATOM 0 H LYS A 90 1.482 -13.787 3.739 1.00 0.00 H new ATOM 0 HA LYS A 90 1.536 -15.360 6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.225 -13.199 4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.326 -13.486 6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.081 -14.748 5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.882 -15.895 6.205 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.375 -14.937 3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.912 -15.760 3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.756 -17.696 4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.219 -16.874 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.433 -18.364 2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.675 -16.814 2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.003 -17.835 2.339 1.00 0.00 H new ATOM 1031 N GLN A 91 0.839 -13.555 7.895 1.00 0.00 N ATOM 1032 CA GLN A 91 0.101 -12.682 8.799 1.00 0.00 C ATOM 1033 C GLN A 91 1.033 -11.675 9.465 1.00 0.00 C ATOM 1034 O GLN A 91 1.681 -11.981 10.467 1.00 0.00 O ATOM 1035 CB GLN A 91 -0.625 -13.503 9.867 1.00 0.00 C ATOM 1036 CG GLN A 91 -1.486 -12.678 10.809 1.00 0.00 C ATOM 1037 CD GLN A 91 -2.610 -11.961 10.087 1.00 0.00 C ATOM 1038 OE1 GLN A 91 -3.329 -12.559 9.281 1.00 0.00 O ATOM 1039 NE2 GLN A 91 -2.769 -10.673 10.368 1.00 0.00 N ATOM 0 H GLN A 91 1.377 -14.286 8.360 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.636 -12.137 8.209 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -1.254 -14.245 9.374 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.114 -14.050 10.453 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.907 -13.329 11.575 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.861 -11.946 11.320 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.152 -10.218 11.041 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.508 -10.139 9.911 1.00 0.00 H new ATOM 1048 N LEU A 92 1.099 -10.474 8.901 1.00 0.00 N ATOM 1049 CA LEU A 92 1.893 -9.397 9.483 1.00 0.00 C ATOM 1050 C LEU A 92 0.997 -8.292 10.028 1.00 0.00 C ATOM 1051 O LEU A 92 -0.064 -7.991 9.479 1.00 0.00 O ATOM 1052 CB LEU A 92 2.868 -8.832 8.441 1.00 0.00 C ATOM 1053 CG LEU A 92 3.901 -9.830 7.905 1.00 0.00 C ATOM 1054 CD1 LEU A 92 4.709 -9.193 6.783 1.00 0.00 C ATOM 1055 CD2 LEU A 92 4.813 -10.276 9.040 1.00 0.00 C ATOM 0 H LEU A 92 0.612 -10.221 8.041 1.00 0.00 H new ATOM 0 HA LEU A 92 2.467 -9.807 10.314 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.292 -8.443 7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.397 -7.988 8.882 1.00 0.00 H new ATOM 0 HG LEU A 92 3.388 -10.704 7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.440 -9.910 6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.040 -8.901 5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.226 -8.312 7.162 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.548 -10.986 8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.327 -9.409 9.456 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.218 -10.753 9.819 1.00 0.00 H new ATOM 1067 N PRO A 93 1.430 -7.667 11.133 1.00 0.00 N ATOM 1068 CA PRO A 93 0.727 -6.524 11.724 1.00 0.00 C ATOM 1069 C PRO A 93 0.799 -5.281 10.844 1.00 0.00 C ATOM 1070 O PRO A 93 1.726 -5.123 10.048 1.00 0.00 O ATOM 1071 CB PRO A 93 1.437 -6.311 13.066 1.00 0.00 C ATOM 1072 CG PRO A 93 2.815 -6.835 12.847 1.00 0.00 C ATOM 1073 CD PRO A 93 2.651 -8.010 11.919 1.00 0.00 C ATOM 0 HA PRO A 93 -0.341 -6.712 11.837 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.453 -5.257 13.344 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.933 -6.845 13.871 1.00 0.00 H new ATOM 0 HG2 PRO A 93 3.460 -6.074 12.408 1.00 0.00 H new ATOM 0 HG3 PRO A 93 3.275 -7.138 13.788 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.521 -8.136 11.274 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.525 -8.942 12.470 1.00 0.00 H new ATOM 1081 N LEU A 94 -0.186 -4.401 10.992 1.00 0.00 N ATOM 1082 CA LEU A 94 -0.313 -3.241 10.116 1.00 0.00 C ATOM 1083 C LEU A 94 0.974 -2.424 10.103 1.00 0.00 C ATOM 1084 O LEU A 94 1.316 -1.799 9.099 1.00 0.00 O ATOM 1085 CB LEU A 94 -1.496 -2.370 10.554 1.00 0.00 C ATOM 1086 CG LEU A 94 -2.882 -2.981 10.308 1.00 0.00 C ATOM 1087 CD1 LEU A 94 -3.957 -2.111 10.947 1.00 0.00 C ATOM 1088 CD2 LEU A 94 -3.120 -3.119 8.813 1.00 0.00 C ATOM 0 H LEU A 94 -0.908 -4.469 11.710 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.497 -3.598 9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.395 -2.155 11.618 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.438 -1.416 10.029 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.928 -3.971 10.763 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.937 -2.553 10.767 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.781 -2.044 12.021 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.924 -1.112 10.511 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.105 -3.553 8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.069 -2.136 8.344 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.357 -3.767 8.381 1.00 0.00 H new ATOM 1100 N ASN A 95 1.688 -2.435 11.225 1.00 0.00 N ATOM 1101 CA ASN A 95 2.937 -1.695 11.343 1.00 0.00 C ATOM 1102 C ASN A 95 4.027 -2.326 10.482 1.00 0.00 C ATOM 1103 O ASN A 95 4.802 -1.623 9.832 1.00 0.00 O ATOM 1104 CB ASN A 95 3.395 -1.603 12.788 1.00 0.00 C ATOM 1105 CG ASN A 95 2.574 -0.662 13.623 1.00 0.00 C ATOM 1106 OD1 ASN A 95 1.900 0.236 13.103 1.00 0.00 O ATOM 1107 ND2 ASN A 95 2.689 -0.809 14.919 1.00 0.00 N ATOM 0 H ASN A 95 1.421 -2.949 12.065 1.00 0.00 H new ATOM 0 HA ASN A 95 2.751 -0.683 10.983 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.360 -2.596 13.235 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.436 -1.280 12.810 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.210 -0.166 15.550 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.257 -1.567 15.298 1.00 0.00 H new ATOM 1114 N GLN A 96 4.079 -3.653 10.479 1.00 0.00 N ATOM 1115 CA GLN A 96 5.123 -4.377 9.763 1.00 0.00 C ATOM 1116 C GLN A 96 4.553 -5.080 8.535 1.00 0.00 C ATOM 1117 O GLN A 96 5.200 -5.945 7.947 1.00 0.00 O ATOM 1118 CB GLN A 96 5.795 -5.401 10.681 1.00 0.00 C ATOM 1119 CG GLN A 96 6.450 -4.796 11.912 1.00 0.00 C ATOM 1120 CD GLN A 96 7.428 -3.690 11.563 1.00 0.00 C ATOM 1121 OE1 GLN A 96 8.112 -3.748 10.538 1.00 0.00 O ATOM 1122 NE2 GLN A 96 7.503 -2.677 12.418 1.00 0.00 N ATOM 0 H GLN A 96 3.410 -4.250 10.965 1.00 0.00 H new ATOM 0 HA GLN A 96 5.868 -3.652 9.436 1.00 0.00 H new ATOM 0 HB2 GLN A 96 5.050 -6.130 11.000 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.549 -5.944 10.111 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.679 -4.400 12.573 1.00 0.00 H new ATOM 0 HG3 GLN A 96 6.972 -5.578 12.464 1.00 0.00 H new ATOM 0 HE21 GLN A 96 6.918 -2.671 13.254 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.146 -1.905 12.239 1.00 0.00 H new ATOM 1131 N ALA A 97 3.338 -4.701 8.152 1.00 0.00 N ATOM 1132 CA ALA A 97 2.695 -5.271 6.975 1.00 0.00 C ATOM 1133 C ALA A 97 3.230 -4.635 5.696 1.00 0.00 C ATOM 1134 O ALA A 97 3.378 -3.416 5.612 1.00 0.00 O ATOM 1135 CB ALA A 97 1.186 -5.097 7.061 1.00 0.00 C ATOM 0 H ALA A 97 2.779 -4.001 8.640 1.00 0.00 H new ATOM 0 HA ALA A 97 2.926 -6.336 6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.719 -5.527 6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.812 -5.603 7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 97 0.945 -4.036 7.119 1.00 0.00 H new ATOM 1141 N ARG A 98 3.519 -5.469 4.703 1.00 0.00 N ATOM 1142 CA ARG A 98 3.751 -4.990 3.345 1.00 0.00 C ATOM 1143 C ARG A 98 2.553 -5.293 2.450 1.00 0.00 C ATOM 1144 O ARG A 98 2.699 -5.463 1.239 1.00 0.00 O ATOM 1145 CB ARG A 98 5.043 -5.535 2.755 1.00 0.00 C ATOM 1146 CG ARG A 98 6.314 -5.021 3.414 1.00 0.00 C ATOM 1147 CD ARG A 98 7.567 -5.438 2.734 1.00 0.00 C ATOM 1148 NE ARG A 98 8.771 -5.270 3.533 1.00 0.00 N ATOM 1149 CZ ARG A 98 9.489 -4.134 3.604 1.00 0.00 C ATOM 1150 NH1 ARG A 98 9.155 -3.076 2.900 1.00 0.00 N ATOM 1151 NH2 ARG A 98 10.556 -4.117 4.385 1.00 0.00 N ATOM 0 H ARG A 98 3.598 -6.480 4.813 1.00 0.00 H new ATOM 0 HA ARG A 98 3.867 -3.908 3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.028 -6.623 2.827 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.075 -5.286 1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.277 -3.932 3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.341 -5.370 4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.479 -6.486 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.674 -4.865 1.813 1.00 0.00 H new ATOM 0 HE ARG A 98 9.094 -6.070 4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.340 -3.108 2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.711 -2.223 2.966 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.815 -4.950 4.913 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.120 -3.270 4.459 1.00 0.00 H new ATOM 1165 N ALA A 99 1.371 -5.361 3.053 1.00 0.00 N ATOM 1166 CA ALA A 99 0.140 -5.574 2.301 1.00 0.00 C ATOM 1167 C ALA A 99 -1.075 -5.106 3.095 1.00 0.00 C ATOM 1168 O ALA A 99 -1.190 -5.379 4.289 1.00 0.00 O ATOM 1169 CB ALA A 99 -0.003 -7.043 1.928 1.00 0.00 C ATOM 0 H ALA A 99 1.239 -5.272 4.061 1.00 0.00 H new ATOM 0 HA ALA A 99 0.194 -4.983 1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.926 -7.188 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.846 -7.347 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.031 -7.648 2.835 1.00 0.00 H new ATOM 1175 N TRP A 100 -1.977 -4.401 2.423 1.00 0.00 N ATOM 1176 CA TRP A 100 -3.180 -3.887 3.069 1.00 0.00 C ATOM 1177 C TRP A 100 -4.415 -4.161 2.219 1.00 0.00 C ATOM 1178 O TRP A 100 -4.364 -4.084 0.991 1.00 0.00 O ATOM 1179 CB TRP A 100 -3.043 -2.384 3.321 1.00 0.00 C ATOM 1180 CG TRP A 100 -1.809 -2.020 4.089 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -1.718 -1.784 5.431 1.00 0.00 C ATOM 1182 CD2 TRP A 100 -0.489 -1.850 3.559 1.00 0.00 C ATOM 1183 NE1 TRP A 100 -0.421 -1.476 5.767 1.00 0.00 N ATOM 1184 CE2 TRP A 100 0.351 -1.511 4.637 1.00 0.00 C ATOM 1185 CE3 TRP A 100 0.063 -1.953 2.280 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 1.713 -1.275 4.471 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 1.414 -1.718 2.118 1.00 0.00 C ATOM 1188 CH2 TRP A 100 2.227 -1.382 3.208 1.00 0.00 C ATOM 0 H TRP A 100 -1.899 -4.172 1.432 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.298 -4.401 4.023 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -3.034 -1.862 2.364 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.919 -2.033 3.867 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -2.543 -1.832 6.126 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -0.088 -1.257 6.706 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.556 -2.212 1.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 2.342 -1.016 5.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.852 -1.795 1.134 1.00 0.00 H new ATOM 0 HH2 TRP A 100 3.280 -1.204 3.048 1.00 0.00 H new ATOM 1199 N SER A 101 -5.523 -4.482 2.879 1.00 0.00 N ATOM 1200 CA SER A 101 -6.767 -4.794 2.182 1.00 0.00 C ATOM 1201 C SER A 101 -7.380 -3.533 1.581 1.00 0.00 C ATOM 1202 O SER A 101 -7.200 -2.432 2.101 1.00 0.00 O ATOM 1203 CB SER A 101 -7.745 -5.461 3.127 1.00 0.00 C ATOM 1204 OG SER A 101 -8.208 -4.581 4.114 1.00 0.00 O ATOM 0 H SER A 101 -5.586 -4.533 3.896 1.00 0.00 H new ATOM 0 HA SER A 101 -6.542 -5.484 1.369 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.592 -5.846 2.559 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.264 -6.316 3.601 1.00 0.00 H new ATOM 0 HG SER A 101 -8.837 -5.050 4.701 1.00 0.00 H new ATOM 1210 N TRP A 102 -8.107 -3.704 0.481 1.00 0.00 N ATOM 1211 CA TRP A 102 -8.881 -2.613 -0.100 1.00 0.00 C ATOM 1212 C TRP A 102 -9.908 -2.085 0.895 1.00 0.00 C ATOM 1213 O TRP A 102 -10.257 -0.906 0.872 1.00 0.00 O ATOM 1214 CB TRP A 102 -9.582 -3.082 -1.375 1.00 0.00 C ATOM 1215 CG TRP A 102 -8.745 -2.917 -2.609 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -8.364 -3.899 -3.479 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -8.183 -1.698 -3.107 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -7.601 -3.364 -4.487 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -7.475 -2.015 -4.282 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -8.210 -0.369 -2.674 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -6.803 -1.052 -5.028 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -7.541 0.585 -3.416 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -6.845 0.241 -4.582 1.00 0.00 C ATOM 0 H TRP A 102 -8.176 -4.587 -0.025 1.00 0.00 H new ATOM 0 HA TRP A 102 -8.194 -1.804 -0.348 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -9.853 -4.132 -1.267 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.510 -2.524 -1.497 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.625 -4.943 -3.387 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.194 -3.886 -5.263 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.744 -0.093 -1.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.267 -1.316 -5.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.555 1.615 -3.091 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.332 1.011 -5.139 1.00 0.00 H new ATOM 1234 N GLU A 103 -10.389 -2.966 1.768 1.00 0.00 N ATOM 1235 CA GLU A 103 -11.287 -2.563 2.842 1.00 0.00 C ATOM 1236 C GLU A 103 -10.597 -1.590 3.793 1.00 0.00 C ATOM 1237 O GLU A 103 -11.134 -0.528 4.110 1.00 0.00 O ATOM 1238 CB GLU A 103 -11.786 -3.789 3.612 1.00 0.00 C ATOM 1239 CG GLU A 103 -12.756 -4.667 2.835 1.00 0.00 C ATOM 1240 CD GLU A 103 -13.102 -5.912 3.603 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -12.553 -6.106 4.661 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -13.997 -6.611 3.190 1.00 0.00 O ATOM 0 H GLU A 103 -10.171 -3.962 1.751 1.00 0.00 H new ATOM 0 HA GLU A 103 -12.142 -2.057 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.927 -4.391 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.272 -3.454 4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.665 -4.106 2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.315 -4.940 1.876 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.402 -1.958 4.245 1.00 0.00 N ATOM 1250 CA PHE A 104 -8.617 -1.099 5.121 1.00 0.00 C ATOM 1251 C PHE A 104 -8.275 0.217 4.428 1.00 0.00 C ATOM 1252 O PHE A 104 -8.373 1.291 5.024 1.00 0.00 O ATOM 1253 CB PHE A 104 -7.338 -1.810 5.566 1.00 0.00 C ATOM 1254 CG PHE A 104 -6.456 -0.976 6.450 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -6.746 -0.821 7.796 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -5.334 -0.344 5.935 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -5.935 -0.053 8.610 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -4.521 0.423 6.746 1.00 0.00 C ATOM 1259 CZ PHE A 104 -4.822 0.569 8.085 1.00 0.00 C ATOM 0 H PHE A 104 -8.957 -2.847 4.018 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.218 -0.877 6.003 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.607 -2.724 6.096 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.773 -2.108 4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.616 -1.306 8.214 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.093 -0.453 4.888 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.173 0.060 9.657 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.650 0.909 6.332 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.187 1.169 8.720 1.00 0.00 H new ATOM 1269 N ILE A 105 -7.871 0.126 3.165 1.00 0.00 N ATOM 1270 CA ILE A 105 -7.510 1.307 2.391 1.00 0.00 C ATOM 1271 C ILE A 105 -8.676 2.286 2.303 1.00 0.00 C ATOM 1272 O ILE A 105 -8.517 3.483 2.543 1.00 0.00 O ATOM 1273 CB ILE A 105 -7.056 0.933 0.967 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -5.716 0.194 1.012 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -6.952 2.177 0.098 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.342 -0.471 -0.293 1.00 0.00 C ATOM 0 H ILE A 105 -7.786 -0.754 2.656 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.680 1.783 2.913 1.00 0.00 H new ATOM 0 HB ILE A 105 -7.801 0.270 0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.932 0.899 1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.755 -0.562 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.630 1.895 -0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -7.925 2.665 0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.226 2.864 0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.381 -0.974 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.105 -1.202 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.270 0.282 -1.078 1.00 0.00 H new ATOM 1288 N LYS A 106 -9.850 1.768 1.959 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.037 2.600 1.802 1.00 0.00 C ATOM 1290 C LYS A 106 -11.518 3.123 3.150 1.00 0.00 C ATOM 1291 O LYS A 106 -12.017 4.243 3.251 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.154 1.819 1.109 1.00 0.00 C ATOM 1293 CG LYS A 106 -11.914 1.557 -0.372 1.00 0.00 C ATOM 1294 CD LYS A 106 -12.936 0.579 -0.933 1.00 0.00 C ATOM 1295 CE LYS A 106 -14.318 1.209 -1.016 1.00 0.00 C ATOM 1296 NZ LYS A 106 -15.313 0.287 -1.630 1.00 0.00 N ATOM 0 H LYS A 106 -10.005 0.775 1.783 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.769 3.453 1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.283 0.864 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.089 2.369 1.221 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.966 2.496 -0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.910 1.159 -0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.623 0.252 -1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.976 -0.309 -0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.650 1.488 -0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.264 2.127 -1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.242 0.754 -1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.009 0.041 -2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.384 -0.578 -1.057 1.00 0.00 H new ATOM 1310 N ASN A 107 -11.362 2.304 4.186 1.00 0.00 N ATOM 1311 CA ASN A 107 -11.782 2.685 5.530 1.00 0.00 C ATOM 1312 C ASN A 107 -10.994 3.894 6.025 1.00 0.00 C ATOM 1313 O ASN A 107 -11.552 4.803 6.639 1.00 0.00 O ATOM 1314 CB ASN A 107 -11.642 1.530 6.506 1.00 0.00 C ATOM 1315 CG ASN A 107 -12.721 0.492 6.375 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -13.800 0.755 5.829 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -12.470 -0.659 6.943 1.00 0.00 N ATOM 0 H ASN A 107 -10.949 1.374 4.121 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.837 2.955 5.476 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.673 1.054 6.355 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.650 1.923 7.523 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -13.181 -1.390 6.949 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.563 -0.825 7.380 1.00 0.00 H new ATOM 1324 N ARG A 108 -9.693 3.897 5.749 1.00 0.00 N ATOM 1325 CA ARG A 108 -8.837 5.017 6.124 1.00 0.00 C ATOM 1326 C ARG A 108 -8.976 6.164 5.127 1.00 0.00 C ATOM 1327 O ARG A 108 -8.858 7.335 5.490 1.00 0.00 O ATOM 1328 CB ARG A 108 -7.383 4.598 6.297 1.00 0.00 C ATOM 1329 CG ARG A 108 -7.158 3.474 7.296 1.00 0.00 C ATOM 1330 CD ARG A 108 -7.258 3.889 8.718 1.00 0.00 C ATOM 1331 NE ARG A 108 -8.621 3.998 9.218 1.00 0.00 N ATOM 1332 CZ ARG A 108 -9.408 2.951 9.527 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -8.992 1.716 9.354 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -10.622 3.197 9.987 1.00 0.00 N ATOM 0 H ARG A 108 -9.210 3.138 5.268 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.175 5.373 7.097 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.991 4.288 5.328 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.804 5.466 6.612 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.887 2.686 7.108 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.171 3.043 7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.715 3.171 9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.762 4.852 8.839 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.007 4.934 9.343 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -8.059 1.540 8.980 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.602 0.934 9.594 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.939 4.160 10.099 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -11.242 2.424 10.230 1.00 0.00 H new ATOM 1348 N LEU A 109 -9.226 5.820 3.867 1.00 0.00 N ATOM 1349 CA LEU A 109 -9.342 6.818 2.811 1.00 0.00 C ATOM 1350 C LEU A 109 -10.596 7.667 2.997 1.00 0.00 C ATOM 1351 O LEU A 109 -10.577 8.879 2.779 1.00 0.00 O ATOM 1352 CB LEU A 109 -9.358 6.136 1.436 1.00 0.00 C ATOM 1353 CG LEU A 109 -9.519 7.082 0.241 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -8.421 8.136 0.257 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -9.478 6.280 -1.052 1.00 0.00 C ATOM 0 H LEU A 109 -9.352 4.858 3.553 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.476 7.477 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -8.430 5.577 1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.172 5.411 1.417 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.481 7.591 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.544 8.803 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.483 8.712 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -7.448 7.649 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.593 6.953 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.523 5.760 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.289 5.552 -1.054 1.00 0.00 H new ATOM 1367 N LYS A 110 -11.685 7.023 3.408 1.00 0.00 N ATOM 1368 CA LYS A 110 -12.927 7.729 3.698 1.00 0.00 C ATOM 1369 C LYS A 110 -12.744 8.696 4.863 1.00 0.00 C ATOM 1370 O LYS A 110 -13.393 9.740 4.922 1.00 0.00 O ATOM 1371 CB LYS A 110 -14.049 6.736 4.004 1.00 0.00 C ATOM 1372 CG LYS A 110 -14.600 6.011 2.783 1.00 0.00 C ATOM 1373 CD LYS A 110 -15.704 5.038 3.168 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.252 4.311 1.948 1.00 0.00 C ATOM 1375 NZ LYS A 110 -17.346 3.369 2.308 1.00 0.00 N ATOM 0 H LYS A 110 -11.731 6.014 3.547 1.00 0.00 H new ATOM 0 HA LYS A 110 -13.202 8.306 2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.679 5.996 4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -14.865 7.268 4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -14.986 6.739 2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -13.795 5.472 2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.318 4.312 3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.510 5.578 3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -16.623 5.040 1.227 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.446 3.762 1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.692 2.894 1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.986 2.658 2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.126 3.896 2.750 1.00 0.00 H new ATOM 1389 N GLU A 111 -11.855 8.342 5.787 1.00 0.00 N ATOM 1390 CA GLU A 111 -11.491 9.237 6.877 1.00 0.00 C ATOM 1391 C GLU A 111 -10.546 10.332 6.391 1.00 0.00 C ATOM 1392 O GLU A 111 -10.539 11.444 6.921 1.00 0.00 O ATOM 1393 CB GLU A 111 -10.846 8.453 8.022 1.00 0.00 C ATOM 1394 CG GLU A 111 -11.792 7.509 8.749 1.00 0.00 C ATOM 1395 CD GLU A 111 -11.041 6.565 9.646 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -9.835 6.614 9.650 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -11.673 5.874 10.410 1.00 0.00 O ATOM 0 H GLU A 111 -11.375 7.442 5.801 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.403 9.709 7.244 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.010 7.876 7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.433 9.159 8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.503 8.087 9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.371 6.940 8.022 1.00 0.00 H new ATOM 1404 N LEU A 112 -9.749 10.010 5.378 1.00 0.00 N ATOM 1405 CA LEU A 112 -8.751 10.940 4.863 1.00 0.00 C ATOM 1406 C LEU A 112 -9.191 11.527 3.526 1.00 0.00 C ATOM 1407 O LEU A 112 -8.373 11.751 2.635 1.00 0.00 O ATOM 1408 CB LEU A 112 -7.395 10.238 4.719 1.00 0.00 C ATOM 1409 CG LEU A 112 -6.476 10.333 5.945 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -7.187 9.783 7.174 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -5.190 9.566 5.677 1.00 0.00 C ATOM 0 H LEU A 112 -9.775 9.111 4.897 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.649 11.759 5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.571 9.185 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.874 10.662 3.861 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.228 11.377 6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.527 9.855 8.039 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.092 10.361 7.360 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.451 8.739 7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.538 9.634 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.425 8.520 5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.685 9.994 4.811 1.00 0.00 H new