USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=11 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 -17:sc= 0.444 USER MOD Set 1.2: A 59 ASN : amide:sc= 0.384 K(o=0.83,f=-3.6!) USER MOD Single : A 42 THR OG1 : rot 138:sc= -0.106 USER MOD Single : A 44 GLN : amide:sc= -0.0369 X(o=-0.037,f=-0.29) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 164:sc= -0.0091 (180deg=-0.495) 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= 0.0231 K(o=0.023,f=-1.1) USER MOD Single : A 65 SER OG : rot -30:sc= 0.994 USER MOD Single : A 67 THR OG1 : rot -106:sc= 1.39 USER MOD Single : A 68 ASN : amide:sc= 0.666 K(o=0.67,f=-2) USER MOD Single : A 69 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.3!) USER MOD Single : A 71 LYS NZ :NH3+ -125:sc= 0.0126 (180deg=-0.177) USER MOD Single : A 74 THR OG1 : rot 138:sc= 1.12 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= 1.16 (180deg=-0.402) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 95 ASN : amide:sc= -0.0178 K(o=-0.018,f=-1.2!) USER MOD Single : A 96 GLN : amide:sc= -0.0547 X(o=-0.055,f=-0.19) USER MOD Single : A 101 SER OG : rot 180:sc= 0.65 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0915 K(o=-0.091,f=-1.6!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N VAL A 38 -1.729 -8.895 -12.825 1.00 0.00 N ATOM 148 CA VAL A 38 -2.336 -8.050 -11.804 1.00 0.00 C ATOM 149 C VAL A 38 -2.716 -6.689 -12.373 1.00 0.00 C ATOM 150 O VAL A 38 -2.554 -6.435 -13.567 1.00 0.00 O ATOM 151 CB VAL A 38 -1.391 -7.849 -10.603 1.00 0.00 C ATOM 152 CG1 VAL A 38 -1.107 -9.178 -9.921 1.00 0.00 C ATOM 153 CG2 VAL A 38 -0.093 -7.192 -11.050 1.00 0.00 C ATOM 0 HA VAL A 38 -3.236 -8.562 -11.464 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.881 -7.191 -9.886 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.438 -9.017 -9.075 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.042 -9.612 -9.567 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.637 -9.858 -10.631 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.562 -7.058 -10.189 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.401 -7.826 -11.786 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.311 -6.221 -11.495 1.00 0.00 H new ATOM 163 N ARG A 39 -3.224 -5.814 -11.510 1.00 0.00 N ATOM 164 CA ARG A 39 -3.453 -4.421 -11.878 1.00 0.00 C ATOM 165 C ARG A 39 -2.222 -3.570 -11.579 1.00 0.00 C ATOM 166 O ARG A 39 -1.531 -3.791 -10.587 1.00 0.00 O ATOM 167 CB ARG A 39 -4.701 -3.850 -11.222 1.00 0.00 C ATOM 168 CG ARG A 39 -5.968 -4.659 -11.447 1.00 0.00 C ATOM 169 CD ARG A 39 -6.337 -4.835 -12.876 1.00 0.00 C ATOM 170 NE ARG A 39 -6.549 -3.593 -13.601 1.00 0.00 N ATOM 171 CZ ARG A 39 -7.693 -2.883 -13.585 1.00 0.00 C ATOM 172 NH1 ARG A 39 -8.743 -3.307 -12.917 1.00 0.00 N ATOM 173 NH2 ARG A 39 -7.743 -1.761 -14.281 1.00 0.00 N ATOM 0 H ARG A 39 -3.485 -6.045 -10.551 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.628 -4.394 -12.954 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.525 -3.768 -10.149 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.861 -2.839 -11.597 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.843 -5.642 -10.993 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.793 -4.171 -10.928 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.551 -5.402 -13.374 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.246 -5.434 -12.932 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.776 -3.234 -14.162 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.698 -4.186 -12.401 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.602 -2.757 -12.915 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.928 -1.453 -14.812 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.596 -1.202 -14.287 1.00 0.00 H new ATOM 187 N GLU A 40 -1.957 -2.599 -12.447 1.00 0.00 N ATOM 188 CA GLU A 40 -0.632 -1.994 -12.532 1.00 0.00 C ATOM 189 C GLU A 40 -0.598 -0.655 -11.800 1.00 0.00 C ATOM 190 O GLU A 40 -1.635 -0.131 -11.392 1.00 0.00 O ATOM 191 CB GLU A 40 -0.221 -1.807 -13.994 1.00 0.00 C ATOM 192 CG GLU A 40 -1.084 -0.824 -14.771 1.00 0.00 C ATOM 193 CD GLU A 40 -0.591 -0.660 -16.181 1.00 0.00 C ATOM 194 OE1 GLU A 40 0.466 -0.103 -16.361 1.00 0.00 O ATOM 195 OE2 GLU A 40 -1.214 -1.187 -17.072 1.00 0.00 O ATOM 0 H GLU A 40 -2.640 -2.215 -13.100 1.00 0.00 H new ATOM 0 HA GLU A 40 0.078 -2.667 -12.051 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.814 -1.467 -14.027 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.254 -2.775 -14.494 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.116 -1.174 -14.783 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.081 0.143 -14.268 1.00 0.00 H new ATOM 202 N LEU A 41 0.601 -0.106 -11.640 1.00 0.00 N ATOM 203 CA LEU A 41 0.768 1.191 -10.993 1.00 0.00 C ATOM 204 C LEU A 41 0.385 2.325 -11.938 1.00 0.00 C ATOM 205 O LEU A 41 1.249 2.968 -12.537 1.00 0.00 O ATOM 206 CB LEU A 41 2.215 1.362 -10.510 1.00 0.00 C ATOM 207 CG LEU A 41 2.530 0.719 -9.154 1.00 0.00 C ATOM 208 CD1 LEU A 41 1.397 0.989 -8.172 1.00 0.00 C ATOM 209 CD2 LEU A 41 2.742 -0.777 -9.335 1.00 0.00 C ATOM 0 H LEU A 41 1.472 -0.538 -11.949 1.00 0.00 H new ATOM 0 HA LEU A 41 0.103 1.230 -10.130 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.884 0.938 -11.259 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.438 2.427 -10.450 1.00 0.00 H new ATOM 0 HG LEU A 41 3.443 1.155 -8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.630 0.528 -7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.279 2.064 -8.039 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.470 0.568 -8.561 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.966 -1.232 -8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.838 -1.225 -9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.574 -0.947 -10.018 1.00 0.00 H new ATOM 221 N THR A 42 -0.915 2.566 -12.068 1.00 0.00 N ATOM 222 CA THR A 42 -1.408 3.773 -12.719 1.00 0.00 C ATOM 223 C THR A 42 -1.344 4.970 -11.780 1.00 0.00 C ATOM 224 O THR A 42 -1.302 4.829 -10.557 1.00 0.00 O ATOM 225 CB THR A 42 -2.855 3.597 -13.214 1.00 0.00 C ATOM 226 OG1 THR A 42 -3.720 3.363 -12.095 1.00 0.00 O ATOM 227 CG2 THR A 42 -2.951 2.424 -14.178 1.00 0.00 C ATOM 0 H THR A 42 -1.647 1.940 -11.731 1.00 0.00 H new ATOM 0 HA THR A 42 -0.761 3.954 -13.577 1.00 0.00 H new ATOM 0 HB THR A 42 -3.158 4.506 -13.733 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.547 3.876 -12.208 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.981 2.315 -14.517 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.304 2.604 -15.036 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.637 1.511 -13.672 1.00 0.00 H new ATOM 235 N PRO A 43 -1.337 6.180 -12.359 1.00 0.00 N ATOM 236 CA PRO A 43 -1.378 7.427 -11.590 1.00 0.00 C ATOM 237 C PRO A 43 -2.652 7.554 -10.761 1.00 0.00 C ATOM 238 O PRO A 43 -2.670 8.238 -9.737 1.00 0.00 O ATOM 239 CB PRO A 43 -1.282 8.523 -12.656 1.00 0.00 C ATOM 240 CG PRO A 43 -1.753 7.864 -13.908 1.00 0.00 C ATOM 241 CD PRO A 43 -1.287 6.436 -13.809 1.00 0.00 C ATOM 0 HA PRO A 43 -0.573 7.483 -10.858 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.903 9.381 -12.401 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.260 8.889 -12.759 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.838 7.918 -13.996 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.337 8.353 -14.789 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.937 5.758 -14.363 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.281 6.310 -14.208 1.00 0.00 H new ATOM 249 N GLN A 44 -3.713 6.892 -11.209 1.00 0.00 N ATOM 250 CA GLN A 44 -4.988 6.926 -10.502 1.00 0.00 C ATOM 251 C GLN A 44 -4.984 5.955 -9.327 1.00 0.00 C ATOM 252 O GLN A 44 -5.453 6.284 -8.237 1.00 0.00 O ATOM 253 CB GLN A 44 -6.138 6.586 -11.453 1.00 0.00 C ATOM 254 CG GLN A 44 -7.517 6.701 -10.828 1.00 0.00 C ATOM 255 CD GLN A 44 -7.850 8.123 -10.417 1.00 0.00 C ATOM 256 OE1 GLN A 44 -7.579 9.076 -11.154 1.00 0.00 O ATOM 257 NE2 GLN A 44 -8.439 8.275 -9.236 1.00 0.00 N ATOM 0 H GLN A 44 -3.716 6.326 -12.057 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.132 7.936 -10.118 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.087 7.247 -12.318 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.002 5.569 -11.821 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.265 6.346 -11.537 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.572 6.051 -9.955 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.644 7.459 -8.660 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.686 9.208 -8.906 1.00 0.00 H new ATOM 266 N GLU A 45 -4.455 4.757 -9.556 1.00 0.00 N ATOM 267 CA GLU A 45 -4.473 3.709 -8.543 1.00 0.00 C ATOM 268 C GLU A 45 -3.418 3.968 -7.471 1.00 0.00 C ATOM 269 O GLU A 45 -3.579 3.570 -6.317 1.00 0.00 O ATOM 270 CB GLU A 45 -4.249 2.339 -9.186 1.00 0.00 C ATOM 271 CG GLU A 45 -5.403 1.854 -10.052 1.00 0.00 C ATOM 272 CD GLU A 45 -6.678 1.759 -9.261 1.00 0.00 C ATOM 273 OE1 GLU A 45 -6.674 1.115 -8.239 1.00 0.00 O ATOM 274 OE2 GLU A 45 -7.624 2.420 -9.615 1.00 0.00 O ATOM 0 H GLU A 45 -4.009 4.489 -10.433 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.453 3.717 -8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.346 2.381 -9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.069 1.607 -8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.543 2.536 -10.890 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.160 0.878 -10.472 1.00 0.00 H new ATOM 281 N LEU A 46 -2.338 4.637 -7.862 1.00 0.00 N ATOM 282 CA LEU A 46 -1.237 4.915 -6.946 1.00 0.00 C ATOM 283 C LEU A 46 -1.575 6.083 -6.027 1.00 0.00 C ATOM 284 O LEU A 46 -1.484 5.969 -4.806 1.00 0.00 O ATOM 285 CB LEU A 46 0.048 5.206 -7.733 1.00 0.00 C ATOM 286 CG LEU A 46 1.273 5.552 -6.877 1.00 0.00 C ATOM 287 CD1 LEU A 46 1.592 4.402 -5.931 1.00 0.00 C ATOM 288 CD2 LEU A 46 2.458 5.851 -7.783 1.00 0.00 C ATOM 0 H LEU A 46 -2.202 4.997 -8.807 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.077 4.033 -6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.286 4.335 -8.344 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.143 6.033 -8.417 1.00 0.00 H new ATOM 0 HG LEU A 46 1.059 6.436 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.463 4.658 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.739 4.221 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.803 3.503 -6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.328 6.097 -7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.678 4.976 -8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.218 6.695 -8.430 1.00 0.00 H new ATOM 300 N GLU A 47 -1.968 7.204 -6.623 1.00 0.00 N ATOM 301 CA GLU A 47 -2.145 8.444 -5.876 1.00 0.00 C ATOM 302 C GLU A 47 -3.182 8.269 -4.770 1.00 0.00 C ATOM 303 O GLU A 47 -3.039 8.820 -3.676 1.00 0.00 O ATOM 304 CB GLU A 47 -2.558 9.582 -6.812 1.00 0.00 C ATOM 305 CG GLU A 47 -1.451 10.065 -7.738 1.00 0.00 C ATOM 306 CD GLU A 47 -1.954 11.117 -8.689 1.00 0.00 C ATOM 307 OE1 GLU A 47 -3.129 11.399 -8.665 1.00 0.00 O ATOM 308 OE2 GLU A 47 -1.149 11.720 -9.357 1.00 0.00 O ATOM 0 H GLU A 47 -2.170 7.279 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.190 8.699 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.403 9.251 -7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.906 10.423 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.630 10.469 -7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.052 9.222 -8.302 1.00 0.00 H new ATOM 315 N LEU A 48 -4.225 7.501 -5.062 1.00 0.00 N ATOM 316 CA LEU A 48 -5.326 7.316 -4.122 1.00 0.00 C ATOM 317 C LEU A 48 -4.863 6.558 -2.881 1.00 0.00 C ATOM 318 O LEU A 48 -5.439 6.702 -1.802 1.00 0.00 O ATOM 319 CB LEU A 48 -6.476 6.565 -4.793 1.00 0.00 C ATOM 320 CG LEU A 48 -6.371 5.040 -4.796 1.00 0.00 C ATOM 321 CD1 LEU A 48 -6.791 4.473 -3.450 1.00 0.00 C ATOM 322 CD2 LEU A 48 -7.218 4.449 -5.913 1.00 0.00 C ATOM 0 H LEU A 48 -4.332 6.996 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.675 8.301 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.405 6.844 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.552 6.906 -5.826 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.331 4.768 -4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.710 3.386 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.142 4.870 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.823 4.755 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.131 3.363 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.261 4.731 -5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.870 4.829 -6.873 1.00 0.00 H new ATOM 334 N PHE A 49 -3.820 5.751 -3.043 1.00 0.00 N ATOM 335 CA PHE A 49 -3.251 5.006 -1.928 1.00 0.00 C ATOM 336 C PHE A 49 -2.561 5.945 -0.942 1.00 0.00 C ATOM 337 O PHE A 49 -2.897 5.975 0.242 1.00 0.00 O ATOM 338 CB PHE A 49 -2.261 3.954 -2.436 1.00 0.00 C ATOM 339 CG PHE A 49 -1.583 3.181 -1.341 1.00 0.00 C ATOM 340 CD1 PHE A 49 -2.186 2.064 -0.784 1.00 0.00 C ATOM 341 CD2 PHE A 49 -0.339 3.569 -0.867 1.00 0.00 C ATOM 342 CE1 PHE A 49 -1.562 1.352 0.222 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.288 2.860 0.140 1.00 0.00 C ATOM 344 CZ PHE A 49 -0.326 1.749 0.685 1.00 0.00 C ATOM 0 H PHE A 49 -3.352 5.597 -3.936 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.065 4.500 -1.409 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.788 3.257 -3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.502 4.446 -3.044 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.155 1.747 -1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.146 4.436 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.043 0.483 0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.256 3.174 0.500 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.161 1.193 1.472 1.00 0.00 H new ATOM 354 N LYS A 50 -1.594 6.710 -1.437 1.00 0.00 N ATOM 355 CA LYS A 50 -0.869 7.662 -0.607 1.00 0.00 C ATOM 356 C LYS A 50 -1.800 8.753 -0.090 1.00 0.00 C ATOM 357 O LYS A 50 -1.564 9.333 0.970 1.00 0.00 O ATOM 358 CB LYS A 50 0.290 8.283 -1.390 1.00 0.00 C ATOM 359 CG LYS A 50 -0.140 9.179 -2.544 1.00 0.00 C ATOM 360 CD LYS A 50 1.064 9.790 -3.248 1.00 0.00 C ATOM 361 CE LYS A 50 0.633 10.749 -4.348 1.00 0.00 C ATOM 362 NZ LYS A 50 1.800 11.329 -5.068 1.00 0.00 N ATOM 0 H LYS A 50 -1.294 6.688 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.464 7.123 0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.906 8.865 -0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.918 7.483 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.726 8.600 -3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.787 9.973 -2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.682 10.319 -2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.680 8.998 -3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.007 10.224 -5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.037 11.553 -3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.464 11.977 -5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.397 11.852 -4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.355 10.564 -5.502 1.00 0.00 H new ATOM 376 N ARG A 51 -2.859 9.028 -0.844 1.00 0.00 N ATOM 377 CA ARG A 51 -3.892 9.959 -0.405 1.00 0.00 C ATOM 378 C ARG A 51 -4.639 9.410 0.808 1.00 0.00 C ATOM 379 O ARG A 51 -4.862 10.124 1.785 1.00 0.00 O ATOM 380 CB ARG A 51 -4.847 10.334 -1.528 1.00 0.00 C ATOM 381 CG ARG A 51 -5.862 11.407 -1.174 1.00 0.00 C ATOM 382 CD ARG A 51 -6.786 11.766 -2.280 1.00 0.00 C ATOM 383 NE ARG A 51 -6.141 12.373 -3.432 1.00 0.00 N ATOM 384 CZ ARG A 51 -5.794 13.672 -3.517 1.00 0.00 C ATOM 385 NH1 ARG A 51 -6.061 14.511 -2.541 1.00 0.00 N ATOM 386 NH2 ARG A 51 -5.198 14.088 -4.622 1.00 0.00 N ATOM 0 H ARG A 51 -3.025 8.619 -1.763 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.391 10.880 -0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.263 10.675 -2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.382 9.439 -1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.450 11.067 -0.322 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.329 12.303 -0.856 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.310 10.867 -2.605 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.540 12.454 -1.898 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.937 11.774 -4.232 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.538 14.182 -1.702 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.791 15.491 -2.623 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.013 13.431 -5.380 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.923 15.066 -4.716 1.00 0.00 H new ATOM 400 N ALA A 52 -5.021 8.141 0.735 1.00 0.00 N ATOM 401 CA ALA A 52 -5.742 7.496 1.826 1.00 0.00 C ATOM 402 C ALA A 52 -4.826 7.248 3.019 1.00 0.00 C ATOM 403 O ALA A 52 -5.213 7.464 4.167 1.00 0.00 O ATOM 404 CB ALA A 52 -6.360 6.189 1.351 1.00 0.00 C ATOM 0 H ALA A 52 -4.844 7.538 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.539 8.166 2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.895 5.719 2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.055 6.390 0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.573 5.521 1.001 1.00 0.00 H new ATOM 410 N MET A 53 -3.610 6.794 2.740 1.00 0.00 N ATOM 411 CA MET A 53 -2.670 6.428 3.793 1.00 0.00 C ATOM 412 C MET A 53 -2.221 7.660 4.573 1.00 0.00 C ATOM 413 O MET A 53 -1.821 7.561 5.732 1.00 0.00 O ATOM 414 CB MET A 53 -1.461 5.707 3.199 1.00 0.00 C ATOM 415 CG MET A 53 -0.515 5.109 4.230 1.00 0.00 C ATOM 416 SD MET A 53 -1.300 3.839 5.241 1.00 0.00 S ATOM 417 CE MET A 53 -1.449 2.507 4.054 1.00 0.00 C ATOM 0 H MET A 53 -3.251 6.670 1.793 1.00 0.00 H new ATOM 0 HA MET A 53 -3.177 5.753 4.483 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.814 4.911 2.544 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.905 6.408 2.577 1.00 0.00 H new ATOM 0 HG2 MET A 53 0.347 4.680 3.720 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.141 5.902 4.877 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.646 1.572 4.579 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.271 2.720 3.370 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.521 2.417 3.490 1.00 0.00 H new ATOM 427 N GLY A 54 -2.289 8.821 3.929 1.00 0.00 N ATOM 428 CA GLY A 54 -1.858 10.051 4.566 1.00 0.00 C ATOM 429 C GLY A 54 -0.352 10.227 4.526 1.00 0.00 C ATOM 430 O GLY A 54 0.249 10.699 5.492 1.00 0.00 O ATOM 0 H GLY A 54 -2.635 8.931 2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.333 10.898 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.194 10.057 5.603 1.00 0.00 H new ATOM 434 N ILE A 55 0.257 9.845 3.409 1.00 0.00 N ATOM 435 CA ILE A 55 1.710 9.856 3.291 1.00 0.00 C ATOM 436 C ILE A 55 2.266 11.266 3.467 1.00 0.00 C ATOM 437 O ILE A 55 1.768 12.220 2.868 1.00 0.00 O ATOM 438 CB ILE A 55 2.171 9.298 1.932 1.00 0.00 C ATOM 439 CG1 ILE A 55 1.753 7.832 1.788 1.00 0.00 C ATOM 440 CG2 ILE A 55 3.678 9.442 1.781 1.00 0.00 C ATOM 441 CD1 ILE A 55 2.408 6.909 2.790 1.00 0.00 C ATOM 0 H ILE A 55 -0.232 9.524 2.573 1.00 0.00 H new ATOM 0 HA ILE A 55 2.095 9.215 4.084 1.00 0.00 H new ATOM 0 HB ILE A 55 1.691 9.873 1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.671 7.760 1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.996 7.492 0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.987 9.043 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.951 10.496 1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.178 8.891 2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.062 5.889 2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.490 6.950 2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.144 7.222 3.800 1.00 0.00 H new ATOM 453 N THR A 56 3.301 11.388 4.290 1.00 0.00 N ATOM 454 CA THR A 56 3.944 12.676 4.524 1.00 0.00 C ATOM 455 C THR A 56 5.431 12.615 4.203 1.00 0.00 C ATOM 456 O THR A 56 6.054 11.552 4.225 1.00 0.00 O ATOM 457 CB THR A 56 3.761 13.142 5.980 1.00 0.00 C ATOM 458 OG1 THR A 56 4.428 12.232 6.864 1.00 0.00 O ATOM 459 CG2 THR A 56 2.284 13.200 6.340 1.00 0.00 C ATOM 0 H THR A 56 3.713 10.611 4.806 1.00 0.00 H new ATOM 0 HA THR A 56 3.462 13.393 3.860 1.00 0.00 H new ATOM 0 HB THR A 56 4.190 14.139 6.082 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.606 11.391 6.394 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.174 13.531 7.373 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.775 13.901 5.678 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.843 12.210 6.228 1.00 0.00 H new ATOM 467 N PRO A 57 6.020 13.782 3.895 1.00 0.00 N ATOM 468 CA PRO A 57 7.452 13.893 3.601 1.00 0.00 C ATOM 469 C PRO A 57 8.318 13.601 4.821 1.00 0.00 C ATOM 470 O PRO A 57 9.523 13.376 4.700 1.00 0.00 O ATOM 471 CB PRO A 57 7.618 15.338 3.118 1.00 0.00 C ATOM 472 CG PRO A 57 6.483 16.072 3.749 1.00 0.00 C ATOM 473 CD PRO A 57 5.336 15.097 3.764 1.00 0.00 C ATOM 0 HA PRO A 57 7.777 13.163 2.860 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.579 15.752 3.425 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.577 15.401 2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.737 16.396 4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.230 16.968 3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.657 15.284 4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.744 15.155 2.851 1.00 0.00 H new ATOM 481 N HIS A 58 7.697 13.605 5.997 1.00 0.00 N ATOM 482 CA HIS A 58 8.402 13.285 7.234 1.00 0.00 C ATOM 483 C HIS A 58 8.853 11.829 7.240 1.00 0.00 C ATOM 484 O HIS A 58 10.005 11.527 7.548 1.00 0.00 O ATOM 485 CB HIS A 58 7.517 13.568 8.452 1.00 0.00 C ATOM 486 CG HIS A 58 8.161 13.221 9.758 1.00 0.00 C ATOM 487 ND1 HIS A 58 9.184 13.967 10.303 1.00 0.00 N ATOM 488 CD2 HIS A 58 7.930 12.207 10.625 1.00 0.00 C ATOM 489 CE1 HIS A 58 9.553 13.426 11.453 1.00 0.00 C ATOM 490 NE2 HIS A 58 8.808 12.358 11.668 1.00 0.00 N ATOM 0 H HIS A 58 6.709 13.826 6.119 1.00 0.00 H new ATOM 0 HA HIS A 58 9.285 13.921 7.290 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.250 14.625 8.458 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.589 13.005 8.354 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.193 11.426 10.516 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.331 13.795 12.104 1.00 0.00 H new ATOM 0 HE2 HIS A 58 8.874 11.744 12.479 1.00 0.00 H new ATOM 498 N ASN A 59 7.936 10.928 6.903 1.00 0.00 N ATOM 499 CA ASN A 59 8.241 9.502 6.866 1.00 0.00 C ATOM 500 C ASN A 59 8.135 8.961 5.444 1.00 0.00 C ATOM 501 O ASN A 59 7.879 7.773 5.239 1.00 0.00 O ATOM 502 CB ASN A 59 7.338 8.715 7.799 1.00 0.00 C ATOM 503 CG ASN A 59 5.879 8.816 7.455 1.00 0.00 C ATOM 504 OD1 ASN A 59 5.480 9.572 6.561 1.00 0.00 O ATOM 505 ND2 ASN A 59 5.070 8.120 8.214 1.00 0.00 N ATOM 0 H ASN A 59 6.975 11.160 6.651 1.00 0.00 H new ATOM 0 HA ASN A 59 9.268 9.379 7.210 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.635 7.666 7.779 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.487 9.069 8.819 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.061 8.188 8.081 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.449 7.510 8.938 1.00 0.00 H new ATOM 512 N TYR A 60 8.336 9.837 4.466 1.00 0.00 N ATOM 513 CA TYR A 60 8.228 9.455 3.063 1.00 0.00 C ATOM 514 C TYR A 60 9.286 8.418 2.700 1.00 0.00 C ATOM 515 O TYR A 60 8.990 7.412 2.053 1.00 0.00 O ATOM 516 CB TYR A 60 8.361 10.684 2.162 1.00 0.00 C ATOM 517 CG TYR A 60 8.298 10.369 0.683 1.00 0.00 C ATOM 518 CD1 TYR A 60 7.083 10.137 0.055 1.00 0.00 C ATOM 519 CD2 TYR A 60 9.455 10.306 -0.080 1.00 0.00 C ATOM 520 CE1 TYR A 60 7.020 9.848 -1.295 1.00 0.00 C ATOM 521 CE2 TYR A 60 9.403 10.019 -1.429 1.00 0.00 C ATOM 522 CZ TYR A 60 8.185 9.791 -2.034 1.00 0.00 C ATOM 523 OH TYR A 60 8.127 9.505 -3.379 1.00 0.00 O ATOM 0 H TYR A 60 8.575 10.817 4.619 1.00 0.00 H new ATOM 0 HA TYR A 60 7.245 9.011 2.907 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.568 11.390 2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.307 11.180 2.378 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.171 10.183 0.631 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.411 10.484 0.389 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.066 9.668 -1.769 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.313 9.973 -2.009 1.00 0.00 H new ATOM 0 HH TYR A 60 9.033 9.504 -3.753 1.00 0.00 H new ATOM 533 N TRP A 61 10.522 8.669 3.118 1.00 0.00 N ATOM 534 CA TRP A 61 11.633 7.778 2.804 1.00 0.00 C ATOM 535 C TRP A 61 11.450 6.421 3.476 1.00 0.00 C ATOM 536 O TRP A 61 11.854 5.392 2.935 1.00 0.00 O ATOM 537 CB TRP A 61 12.959 8.405 3.235 1.00 0.00 C ATOM 538 CG TRP A 61 13.116 8.511 4.722 1.00 0.00 C ATOM 539 CD1 TRP A 61 12.741 9.558 5.508 1.00 0.00 C ATOM 540 CD2 TRP A 61 13.689 7.533 5.600 1.00 0.00 C ATOM 541 NE1 TRP A 61 13.044 9.296 6.822 1.00 0.00 N ATOM 542 CE2 TRP A 61 13.626 8.056 6.903 1.00 0.00 C ATOM 543 CE3 TRP A 61 14.247 6.263 5.407 1.00 0.00 C ATOM 544 CZ2 TRP A 61 14.100 7.362 8.006 1.00 0.00 C ATOM 545 CZ3 TRP A 61 14.720 5.567 6.512 1.00 0.00 C ATOM 546 CH2 TRP A 61 14.649 6.101 7.774 1.00 0.00 C ATOM 0 H TRP A 61 10.780 9.483 3.676 1.00 0.00 H new ATOM 0 HA TRP A 61 11.650 7.627 1.725 1.00 0.00 H new ATOM 0 HB2 TRP A 61 13.780 7.812 2.833 1.00 0.00 H new ATOM 0 HB3 TRP A 61 13.040 9.400 2.797 1.00 0.00 H new ATOM 0 HD1 TRP A 61 12.273 10.463 5.150 1.00 0.00 H new ATOM 0 HE1 TRP A 61 12.866 9.921 7.608 1.00 0.00 H new ATOM 0 HE3 TRP A 61 14.308 5.833 4.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 14.046 7.779 9.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 15.152 4.587 6.375 1.00 0.00 H new ATOM 0 HH2 TRP A 61 15.028 5.530 8.609 1.00 0.00 H new ATOM 557 N GLN A 62 10.841 6.428 4.657 1.00 0.00 N ATOM 558 CA GLN A 62 10.502 5.190 5.348 1.00 0.00 C ATOM 559 C GLN A 62 9.487 4.379 4.551 1.00 0.00 C ATOM 560 O GLN A 62 9.657 3.177 4.350 1.00 0.00 O ATOM 561 CB GLN A 62 9.949 5.487 6.745 1.00 0.00 C ATOM 562 CG GLN A 62 10.987 5.996 7.731 1.00 0.00 C ATOM 563 CD GLN A 62 10.386 6.329 9.084 1.00 0.00 C ATOM 564 OE1 GLN A 62 9.171 6.235 9.279 1.00 0.00 O ATOM 565 NE2 GLN A 62 11.234 6.725 10.025 1.00 0.00 N ATOM 0 H GLN A 62 10.572 7.277 5.155 1.00 0.00 H new ATOM 0 HA GLN A 62 11.415 4.603 5.445 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.153 6.227 6.659 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.498 4.579 7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.764 5.242 7.857 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.468 6.884 7.322 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.231 6.788 9.819 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.889 6.966 10.954 1.00 0.00 H new ATOM 574 N TRP A 63 8.430 5.045 4.100 1.00 0.00 N ATOM 575 CA TRP A 63 7.419 4.400 3.270 1.00 0.00 C ATOM 576 C TRP A 63 8.005 3.978 1.928 1.00 0.00 C ATOM 577 O TRP A 63 7.675 2.914 1.403 1.00 0.00 O ATOM 578 CB TRP A 63 6.227 5.336 3.052 1.00 0.00 C ATOM 579 CG TRP A 63 5.234 5.311 4.174 1.00 0.00 C ATOM 580 CD1 TRP A 63 5.072 6.258 5.142 1.00 0.00 C ATOM 581 CD2 TRP A 63 4.266 4.291 4.445 1.00 0.00 C ATOM 582 NE1 TRP A 63 4.065 5.891 5.999 1.00 0.00 N ATOM 583 CE2 TRP A 63 3.552 4.685 5.591 1.00 0.00 C ATOM 584 CE3 TRP A 63 3.935 3.079 3.827 1.00 0.00 C ATOM 585 CZ2 TRP A 63 2.534 3.918 6.133 1.00 0.00 C ATOM 586 CZ3 TRP A 63 2.911 2.310 4.370 1.00 0.00 C ATOM 587 CH2 TRP A 63 2.230 2.719 5.489 1.00 0.00 C ATOM 0 H TRP A 63 8.251 6.030 4.295 1.00 0.00 H new ATOM 0 HA TRP A 63 7.075 3.507 3.792 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.594 6.355 2.925 1.00 0.00 H new ATOM 0 HB3 TRP A 63 5.723 5.060 2.125 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.652 7.165 5.222 1.00 0.00 H new ATOM 0 HE1 TRP A 63 3.749 6.427 6.807 1.00 0.00 H new ATOM 0 HE3 TRP A 63 4.464 2.748 2.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.999 4.235 7.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.647 1.373 3.902 1.00 0.00 H new ATOM 0 HH2 TRP A 63 1.439 2.097 5.881 1.00 0.00 H new ATOM 598 N ALA A 64 8.877 4.816 1.377 1.00 0.00 N ATOM 599 CA ALA A 64 9.477 4.548 0.075 1.00 0.00 C ATOM 600 C ALA A 64 10.332 3.286 0.115 1.00 0.00 C ATOM 601 O ALA A 64 10.452 2.575 -0.883 1.00 0.00 O ATOM 602 CB ALA A 64 10.311 5.738 -0.376 1.00 0.00 C ATOM 0 H ALA A 64 9.184 5.686 1.812 1.00 0.00 H new ATOM 0 HA ALA A 64 8.673 4.389 -0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.753 5.525 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.675 6.620 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.103 5.923 0.350 1.00 0.00 H new ATOM 608 N SER A 65 10.922 3.012 1.274 1.00 0.00 N ATOM 609 CA SER A 65 11.858 1.902 1.411 1.00 0.00 C ATOM 610 C SER A 65 11.112 0.583 1.593 1.00 0.00 C ATOM 611 O SER A 65 11.573 -0.470 1.151 1.00 0.00 O ATOM 612 CB SER A 65 12.796 2.147 2.577 1.00 0.00 C ATOM 613 OG SER A 65 12.118 2.156 3.803 1.00 0.00 O ATOM 0 H SER A 65 10.769 3.543 2.131 1.00 0.00 H new ATOM 0 HA SER A 65 12.447 1.835 0.497 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.564 1.374 2.593 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.306 3.100 2.438 1.00 0.00 H new ATOM 0 HG SER A 65 11.202 2.477 3.668 1.00 0.00 H new ATOM 619 N ARG A 66 9.958 0.649 2.250 1.00 0.00 N ATOM 620 CA ARG A 66 9.200 -0.550 2.582 1.00 0.00 C ATOM 621 C ARG A 66 8.227 -0.907 1.464 1.00 0.00 C ATOM 622 O ARG A 66 7.898 -2.076 1.261 1.00 0.00 O ATOM 623 CB ARG A 66 8.490 -0.428 3.924 1.00 0.00 C ATOM 624 CG ARG A 66 7.301 0.521 3.934 1.00 0.00 C ATOM 625 CD ARG A 66 6.421 0.386 5.121 1.00 0.00 C ATOM 626 NE ARG A 66 7.084 0.621 6.394 1.00 0.00 N ATOM 627 CZ ARG A 66 7.154 1.816 7.010 1.00 0.00 C ATOM 628 NH1 ARG A 66 6.639 2.894 6.461 1.00 0.00 N ATOM 629 NH2 ARG A 66 7.778 1.884 8.173 1.00 0.00 N ATOM 0 H ARG A 66 9.529 1.520 2.562 1.00 0.00 H new ATOM 0 HA ARG A 66 9.914 -1.368 2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.150 -1.417 4.230 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.210 -0.093 4.671 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.669 1.546 3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.708 0.351 3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.591 1.086 5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.993 -0.617 5.128 1.00 0.00 H new ATOM 0 HE ARG A 66 7.527 -0.175 6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.177 2.833 5.554 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.701 3.791 6.942 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.191 1.045 8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.847 2.776 8.663 1.00 0.00 H new ATOM 643 N THR A 67 7.768 0.108 0.738 1.00 0.00 N ATOM 644 CA THR A 67 6.763 -0.086 -0.300 1.00 0.00 C ATOM 645 C THR A 67 7.414 -0.369 -1.649 1.00 0.00 C ATOM 646 O THR A 67 6.751 -0.343 -2.685 1.00 0.00 O ATOM 647 CB THR A 67 5.842 1.140 -0.432 1.00 0.00 C ATOM 648 OG1 THR A 67 6.627 2.298 -0.746 1.00 0.00 O ATOM 649 CG2 THR A 67 5.087 1.382 0.867 1.00 0.00 C ATOM 0 H THR A 67 8.077 1.074 0.850 1.00 0.00 H new ATOM 0 HA THR A 67 6.164 -0.946 -0.001 1.00 0.00 H new ATOM 0 HB THR A 67 5.123 0.952 -1.229 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.698 2.870 0.047 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.441 2.253 0.755 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.480 0.508 1.104 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.798 1.559 1.674 1.00 0.00 H new ATOM 657 N ASN A 68 8.715 -0.638 -1.630 1.00 0.00 N ATOM 658 CA ASN A 68 9.467 -0.863 -2.859 1.00 0.00 C ATOM 659 C ASN A 68 9.214 0.256 -3.863 1.00 0.00 C ATOM 660 O ASN A 68 8.673 0.020 -4.944 1.00 0.00 O ATOM 661 CB ASN A 68 9.140 -2.211 -3.473 1.00 0.00 C ATOM 662 CG ASN A 68 10.110 -2.643 -4.538 1.00 0.00 C ATOM 663 OD1 ASN A 68 10.955 -1.862 -4.989 1.00 0.00 O ATOM 664 ND2 ASN A 68 9.941 -3.856 -4.998 1.00 0.00 N ATOM 0 H ASN A 68 9.271 -0.706 -0.777 1.00 0.00 H new ATOM 0 HA ASN A 68 10.525 -0.863 -2.599 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.121 -2.964 -2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.138 -2.172 -3.901 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.522 -4.196 -5.764 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.229 -4.461 -4.590 1.00 0.00 H new ATOM 671 N ASN A 69 9.608 1.471 -3.501 1.00 0.00 N ATOM 672 CA ASN A 69 9.406 2.630 -4.364 1.00 0.00 C ATOM 673 C ASN A 69 7.923 2.842 -4.653 1.00 0.00 C ATOM 674 O ASN A 69 7.544 3.245 -5.753 1.00 0.00 O ATOM 675 CB ASN A 69 10.183 2.498 -5.661 1.00 0.00 C ATOM 676 CG ASN A 69 10.411 3.806 -6.365 1.00 0.00 C ATOM 677 OD1 ASN A 69 10.487 4.868 -5.737 1.00 0.00 O ATOM 678 ND2 ASN A 69 10.438 3.747 -7.673 1.00 0.00 N ATOM 0 H ASN A 69 10.069 1.680 -2.616 1.00 0.00 H new ATOM 0 HA ASN A 69 9.784 3.503 -3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.148 2.036 -5.451 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.646 1.825 -6.329 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.525 4.603 -8.220 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.372 2.845 -8.144 1.00 0.00 H new ATOM 685 N PHE A 70 7.087 2.569 -3.657 1.00 0.00 N ATOM 686 CA PHE A 70 5.643 2.704 -3.810 1.00 0.00 C ATOM 687 C PHE A 70 5.149 1.907 -5.014 1.00 0.00 C ATOM 688 O PHE A 70 4.246 2.339 -5.731 1.00 0.00 O ATOM 689 CB PHE A 70 5.255 4.177 -3.953 1.00 0.00 C ATOM 690 CG PHE A 70 5.556 5.004 -2.735 1.00 0.00 C ATOM 691 CD1 PHE A 70 4.655 5.070 -1.684 1.00 0.00 C ATOM 692 CD2 PHE A 70 6.741 5.717 -2.640 1.00 0.00 C ATOM 693 CE1 PHE A 70 4.928 5.831 -0.565 1.00 0.00 C ATOM 694 CE2 PHE A 70 7.019 6.478 -1.520 1.00 0.00 C ATOM 695 CZ PHE A 70 6.113 6.535 -0.482 1.00 0.00 C ATOM 0 H PHE A 70 7.385 2.253 -2.734 1.00 0.00 H new ATOM 0 HA PHE A 70 5.168 2.303 -2.915 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.782 4.601 -4.808 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.189 4.243 -4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.728 4.519 -1.741 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.455 5.678 -3.450 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.215 5.876 0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.946 7.028 -1.458 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.330 7.129 0.394 1.00 0.00 H new ATOM 705 N LYS A 71 5.748 0.741 -5.232 1.00 0.00 N ATOM 706 CA LYS A 71 5.290 -0.173 -6.272 1.00 0.00 C ATOM 707 C LYS A 71 4.349 -1.225 -5.695 1.00 0.00 C ATOM 708 O LYS A 71 4.786 -2.284 -5.244 1.00 0.00 O ATOM 709 CB LYS A 71 6.479 -0.846 -6.958 1.00 0.00 C ATOM 710 CG LYS A 71 7.353 0.098 -7.773 1.00 0.00 C ATOM 711 CD LYS A 71 6.622 0.599 -9.009 1.00 0.00 C ATOM 712 CE LYS A 71 6.337 -0.535 -9.983 1.00 0.00 C ATOM 713 NZ LYS A 71 7.590 -1.106 -10.553 1.00 0.00 N ATOM 0 H LYS A 71 6.553 0.406 -4.702 1.00 0.00 H new ATOM 0 HA LYS A 71 4.742 0.408 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.095 -1.328 -6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.107 -1.633 -7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.651 0.945 -7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.267 -0.416 -8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.685 1.071 -8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.222 1.363 -9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.779 -1.320 -9.473 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.704 -0.169 -10.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.544 -1.076 -11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.405 -0.549 -10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.696 -2.092 -10.239 1.00 0.00 H new ATOM 727 N LEU A 72 3.054 -0.928 -5.712 1.00 0.00 N ATOM 728 CA LEU A 72 2.055 -1.826 -5.143 1.00 0.00 C ATOM 729 C LEU A 72 1.234 -2.493 -6.243 1.00 0.00 C ATOM 730 O LEU A 72 0.834 -1.847 -7.212 1.00 0.00 O ATOM 731 CB LEU A 72 1.139 -1.062 -4.179 1.00 0.00 C ATOM 732 CG LEU A 72 1.863 -0.181 -3.152 1.00 0.00 C ATOM 733 CD1 LEU A 72 0.848 0.587 -2.317 1.00 0.00 C ATOM 734 CD2 LEU A 72 2.742 -1.051 -2.268 1.00 0.00 C ATOM 0 H LEU A 72 2.671 -0.072 -6.114 1.00 0.00 H new ATOM 0 HA LEU A 72 2.574 -2.606 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.466 -0.434 -4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.519 -1.782 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 72 2.494 0.541 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.371 1.210 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.244 1.219 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.201 -0.117 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.256 -0.426 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.124 -1.782 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.477 -1.570 -2.884 1.00 0.00 H new ATOM 746 N LEU A 73 0.983 -3.787 -6.084 1.00 0.00 N ATOM 747 CA LEU A 73 0.235 -4.549 -7.078 1.00 0.00 C ATOM 748 C LEU A 73 -0.920 -5.305 -6.428 1.00 0.00 C ATOM 749 O LEU A 73 -0.854 -5.675 -5.255 1.00 0.00 O ATOM 750 CB LEU A 73 1.166 -5.522 -7.813 1.00 0.00 C ATOM 751 CG LEU A 73 2.305 -4.865 -8.602 1.00 0.00 C ATOM 752 CD1 LEU A 73 3.310 -5.920 -9.043 1.00 0.00 C ATOM 753 CD2 LEU A 73 1.733 -4.129 -9.805 1.00 0.00 C ATOM 0 H LEU A 73 1.286 -4.331 -5.276 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.183 -3.849 -7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.599 -6.207 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.569 -6.123 -8.499 1.00 0.00 H new ATOM 0 HG LEU A 73 2.821 -4.147 -7.965 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.115 -5.444 -9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.723 -6.418 -8.166 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.812 -6.654 -9.677 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.543 -3.662 -10.365 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.208 -4.835 -10.448 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.038 -3.361 -9.465 1.00 0.00 H new ATOM 765 N THR A 74 -1.979 -5.534 -7.199 1.00 0.00 N ATOM 766 CA THR A 74 -3.026 -6.467 -6.802 1.00 0.00 C ATOM 767 C THR A 74 -4.128 -6.538 -7.854 1.00 0.00 C ATOM 768 O THR A 74 -4.200 -5.694 -8.749 1.00 0.00 O ATOM 769 CB THR A 74 -3.648 -6.076 -5.448 1.00 0.00 C ATOM 770 OG1 THR A 74 -4.532 -7.115 -5.008 1.00 0.00 O ATOM 771 CG2 THR A 74 -4.424 -4.774 -5.575 1.00 0.00 C ATOM 0 H THR A 74 -2.134 -5.086 -8.102 1.00 0.00 H new ATOM 0 HA THR A 74 -2.555 -7.445 -6.706 1.00 0.00 H new ATOM 0 HB THR A 74 -2.847 -5.940 -4.722 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.405 -7.268 -4.048 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.857 -4.513 -4.609 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.751 -3.980 -5.898 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.221 -4.895 -6.309 1.00 0.00 H new ATOM 779 N ASP A 75 -4.982 -7.548 -7.741 1.00 0.00 N ATOM 780 CA ASP A 75 -6.117 -7.694 -8.646 1.00 0.00 C ATOM 781 C ASP A 75 -7.318 -8.293 -7.920 1.00 0.00 C ATOM 782 O ASP A 75 -7.340 -9.486 -7.620 1.00 0.00 O ATOM 783 CB ASP A 75 -5.739 -8.563 -9.849 1.00 0.00 C ATOM 784 CG ASP A 75 -6.838 -8.704 -10.892 1.00 0.00 C ATOM 785 OD1 ASP A 75 -7.930 -8.245 -10.644 1.00 0.00 O ATOM 786 OD2 ASP A 75 -6.543 -9.127 -11.984 1.00 0.00 O ATOM 0 H ASP A 75 -4.911 -8.278 -7.032 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.391 -6.702 -9.004 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.855 -8.138 -10.325 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.463 -9.556 -9.493 1.00 0.00 H new ATOM 791 N GLY A 76 -8.311 -7.457 -7.639 1.00 0.00 N ATOM 792 CA GLY A 76 -9.507 -7.925 -6.965 1.00 0.00 C ATOM 793 C GLY A 76 -9.219 -8.454 -5.573 1.00 0.00 C ATOM 794 O GLY A 76 -10.004 -9.220 -5.019 1.00 0.00 O ATOM 0 H GLY A 76 -8.309 -6.463 -7.866 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.226 -7.108 -6.898 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.972 -8.711 -7.560 1.00 0.00 H new ATOM 798 N GLU A 77 -8.086 -8.042 -5.009 1.00 0.00 N ATOM 799 CA GLU A 77 -7.648 -8.555 -3.717 1.00 0.00 C ATOM 800 C GLU A 77 -7.044 -7.440 -2.866 1.00 0.00 C ATOM 801 O GLU A 77 -7.007 -6.281 -3.279 1.00 0.00 O ATOM 802 CB GLU A 77 -6.633 -9.686 -3.903 1.00 0.00 C ATOM 803 CG GLU A 77 -7.197 -10.932 -4.570 1.00 0.00 C ATOM 804 CD GLU A 77 -6.141 -11.990 -4.733 1.00 0.00 C ATOM 805 OE1 GLU A 77 -5.040 -11.778 -4.284 1.00 0.00 O ATOM 806 OE2 GLU A 77 -6.462 -13.055 -5.206 1.00 0.00 O ATOM 0 H GLU A 77 -7.457 -7.356 -5.427 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.521 -8.950 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.799 -9.315 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.231 -9.961 -2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.020 -11.326 -3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.607 -10.671 -5.546 1.00 0.00 H new ATOM 813 N TRP A 78 -6.574 -7.802 -1.678 1.00 0.00 N ATOM 814 CA TRP A 78 -5.781 -6.888 -0.862 1.00 0.00 C ATOM 815 C TRP A 78 -4.515 -6.460 -1.595 1.00 0.00 C ATOM 816 O TRP A 78 -3.956 -7.221 -2.386 1.00 0.00 O ATOM 817 CB TRP A 78 -5.415 -7.548 0.469 1.00 0.00 C ATOM 818 CG TRP A 78 -4.295 -8.536 0.354 1.00 0.00 C ATOM 819 CD1 TRP A 78 -3.974 -9.289 -0.740 1.00 0.00 C ATOM 820 CD2 TRP A 78 -3.347 -8.881 1.372 1.00 0.00 C ATOM 821 NE1 TRP A 78 -2.884 -10.079 -0.463 1.00 0.00 N ATOM 822 CE2 TRP A 78 -2.481 -9.848 0.825 1.00 0.00 C ATOM 823 CE3 TRP A 78 -3.146 -8.465 2.691 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -1.432 -10.403 1.552 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -2.105 -9.017 3.412 1.00 0.00 C ATOM 826 CH2 TRP A 78 -1.259 -9.977 2.841 1.00 0.00 C ATOM 0 H TRP A 78 -6.727 -8.719 -1.259 1.00 0.00 H new ATOM 0 HA TRP A 78 -6.383 -6.000 -0.668 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.136 -6.775 1.185 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.294 -8.052 0.870 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -4.499 -9.267 -1.683 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -2.446 -10.732 -1.112 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.793 -7.725 3.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.778 -11.143 1.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -1.941 -8.704 4.432 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.454 -10.389 3.430 1.00 0.00 H new ATOM 837 N VAL A 79 -4.065 -5.238 -1.329 1.00 0.00 N ATOM 838 CA VAL A 79 -2.852 -4.717 -1.947 1.00 0.00 C ATOM 839 C VAL A 79 -1.607 -5.259 -1.253 1.00 0.00 C ATOM 840 O VAL A 79 -1.552 -5.335 -0.026 1.00 0.00 O ATOM 841 CB VAL A 79 -2.817 -3.178 -1.917 1.00 0.00 C ATOM 842 CG1 VAL A 79 -1.496 -2.663 -2.464 1.00 0.00 C ATOM 843 CG2 VAL A 79 -3.981 -2.604 -2.711 1.00 0.00 C ATOM 0 H VAL A 79 -4.523 -4.590 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.860 -5.048 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.911 -2.852 -0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.490 -1.573 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.676 -3.047 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.373 -2.999 -3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.941 -1.515 -2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.916 -2.940 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.921 -2.945 -2.277 1.00 0.00 H new ATOM 853 N TRP A 80 -0.611 -5.632 -2.046 1.00 0.00 N ATOM 854 CA TRP A 80 0.692 -6.014 -1.509 1.00 0.00 C ATOM 855 C TRP A 80 1.817 -5.295 -2.247 1.00 0.00 C ATOM 856 O TRP A 80 1.626 -4.800 -3.359 1.00 0.00 O ATOM 857 CB TRP A 80 0.886 -7.529 -1.603 1.00 0.00 C ATOM 858 CG TRP A 80 1.047 -8.027 -3.007 1.00 0.00 C ATOM 859 CD1 TRP A 80 2.203 -8.083 -3.724 1.00 0.00 C ATOM 860 CD2 TRP A 80 0.017 -8.539 -3.862 1.00 0.00 C ATOM 861 NE1 TRP A 80 1.961 -8.597 -4.974 1.00 0.00 N ATOM 862 CE2 TRP A 80 0.625 -8.886 -5.082 1.00 0.00 C ATOM 863 CE3 TRP A 80 -1.360 -8.738 -3.711 1.00 0.00 C ATOM 864 CZ2 TRP A 80 -0.092 -9.417 -6.144 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -2.078 -9.271 -4.776 1.00 0.00 C ATOM 866 CH2 TRP A 80 -1.462 -9.602 -5.956 1.00 0.00 C ATOM 0 H TRP A 80 -0.679 -5.679 -3.063 1.00 0.00 H new ATOM 0 HA TRP A 80 0.724 -5.719 -0.460 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.765 -7.811 -1.023 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.030 -8.026 -1.146 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.171 -7.769 -3.362 1.00 0.00 H new ATOM 0 HE1 TRP A 80 2.660 -8.740 -5.703 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.855 -8.483 -2.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.389 -9.676 -7.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -3.142 -9.427 -4.672 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.052 -10.016 -6.760 1.00 0.00 H new ATOM 877 N VAL A 81 2.988 -5.241 -1.622 1.00 0.00 N ATOM 878 CA VAL A 81 4.150 -4.600 -2.231 1.00 0.00 C ATOM 879 C VAL A 81 4.843 -5.538 -3.213 1.00 0.00 C ATOM 880 O VAL A 81 5.118 -6.694 -2.894 1.00 0.00 O ATOM 881 CB VAL A 81 5.164 -4.145 -1.165 1.00 0.00 C ATOM 882 CG1 VAL A 81 6.351 -3.455 -1.823 1.00 0.00 C ATOM 883 CG2 VAL A 81 4.502 -3.217 -0.160 1.00 0.00 C ATOM 0 H VAL A 81 3.159 -5.632 -0.696 1.00 0.00 H new ATOM 0 HA VAL A 81 3.784 -3.725 -2.768 1.00 0.00 H new ATOM 0 HB VAL A 81 5.525 -5.026 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.059 -3.139 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.841 -4.148 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.004 -2.583 -2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.234 -2.906 0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.114 -2.339 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.682 -3.740 0.333 1.00 0.00 H new ATOM 893 N GLU A 82 5.121 -5.031 -4.409 1.00 0.00 N ATOM 894 CA GLU A 82 5.796 -5.819 -5.434 1.00 0.00 C ATOM 895 C GLU A 82 7.082 -6.434 -4.889 1.00 0.00 C ATOM 896 O GLU A 82 7.873 -5.760 -4.229 1.00 0.00 O ATOM 897 CB GLU A 82 6.100 -4.957 -6.662 1.00 0.00 C ATOM 898 CG GLU A 82 6.783 -5.703 -7.800 1.00 0.00 C ATOM 899 CD GLU A 82 7.026 -4.799 -8.976 1.00 0.00 C ATOM 900 OE1 GLU A 82 6.643 -3.655 -8.912 1.00 0.00 O ATOM 901 OE2 GLU A 82 7.698 -5.216 -9.891 1.00 0.00 O ATOM 0 H GLU A 82 4.890 -4.079 -4.693 1.00 0.00 H new ATOM 0 HA GLU A 82 5.128 -6.628 -5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.167 -4.530 -7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.733 -4.124 -6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.731 -6.113 -7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.165 -6.546 -8.108 1.00 0.00 H new ATOM 908 N GLY A 83 7.284 -7.717 -5.170 1.00 0.00 N ATOM 909 CA GLY A 83 8.502 -8.386 -4.752 1.00 0.00 C ATOM 910 C GLY A 83 8.399 -8.952 -3.350 1.00 0.00 C ATOM 911 O GLY A 83 9.338 -9.574 -2.853 1.00 0.00 O ATOM 0 H GLY A 83 6.626 -8.306 -5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.729 -9.192 -5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.333 -7.682 -4.797 1.00 0.00 H new ATOM 915 N TYR A 84 7.256 -8.735 -2.708 1.00 0.00 N ATOM 916 CA TYR A 84 7.016 -9.268 -1.373 1.00 0.00 C ATOM 917 C TYR A 84 5.762 -10.136 -1.350 1.00 0.00 C ATOM 918 O TYR A 84 5.064 -10.210 -0.338 1.00 0.00 O ATOM 919 CB TYR A 84 6.890 -8.131 -0.357 1.00 0.00 C ATOM 920 CG TYR A 84 8.149 -7.308 -0.198 1.00 0.00 C ATOM 921 CD1 TYR A 84 9.198 -7.760 0.588 1.00 0.00 C ATOM 922 CD2 TYR A 84 8.284 -6.082 -0.831 1.00 0.00 C ATOM 923 CE1 TYR A 84 10.351 -7.014 0.737 1.00 0.00 C ATOM 924 CE2 TYR A 84 9.432 -5.327 -0.689 1.00 0.00 C ATOM 925 CZ TYR A 84 10.463 -5.796 0.097 1.00 0.00 C ATOM 926 OH TYR A 84 11.609 -5.048 0.244 1.00 0.00 O ATOM 0 H TYR A 84 6.481 -8.193 -3.091 1.00 0.00 H new ATOM 0 HA TYR A 84 7.868 -9.890 -1.100 1.00 0.00 H new ATOM 0 HB2 TYR A 84 6.075 -7.474 -0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 84 6.618 -8.551 0.611 1.00 0.00 H new ATOM 0 HD1 TYR A 84 9.112 -8.711 1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.477 -5.711 -1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.160 -7.382 1.351 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.521 -4.375 -1.191 1.00 0.00 H new ATOM 0 HH TYR A 84 11.527 -4.219 -0.272 1.00 0.00 H new ATOM 936 N GLU A 85 5.484 -10.793 -2.472 1.00 0.00 N ATOM 937 CA GLU A 85 4.518 -11.885 -2.497 1.00 0.00 C ATOM 938 C GLU A 85 4.927 -12.997 -1.535 1.00 0.00 C ATOM 939 O GLU A 85 4.097 -13.798 -1.107 1.00 0.00 O ATOM 940 CB GLU A 85 4.372 -12.441 -3.915 1.00 0.00 C ATOM 941 CG GLU A 85 3.689 -11.495 -4.894 1.00 0.00 C ATOM 942 CD GLU A 85 4.656 -10.479 -5.435 1.00 0.00 C ATOM 943 OE1 GLU A 85 5.806 -10.528 -5.072 1.00 0.00 O ATOM 944 OE2 GLU A 85 4.271 -9.723 -6.296 1.00 0.00 O ATOM 0 H GLU A 85 5.913 -10.588 -3.374 1.00 0.00 H new ATOM 0 HA GLU A 85 3.555 -11.489 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.362 -12.689 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.805 -13.371 -3.871 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.260 -12.067 -5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.864 -10.986 -4.396 1.00 0.00 H new ATOM 951 N GLU A 86 6.214 -13.038 -1.201 1.00 0.00 N ATOM 952 CA GLU A 86 6.687 -13.855 -0.091 1.00 0.00 C ATOM 953 C GLU A 86 5.980 -13.474 1.207 1.00 0.00 C ATOM 954 O GLU A 86 5.779 -14.313 2.085 1.00 0.00 O ATOM 955 CB GLU A 86 8.203 -13.712 0.072 1.00 0.00 C ATOM 956 CG GLU A 86 8.807 -14.614 1.139 1.00 0.00 C ATOM 957 CD GLU A 86 10.305 -14.487 1.176 1.00 0.00 C ATOM 958 OE1 GLU A 86 10.838 -13.735 0.396 1.00 0.00 O ATOM 959 OE2 GLU A 86 10.908 -15.055 2.057 1.00 0.00 O ATOM 0 H GLU A 86 6.946 -12.516 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 86 6.454 -14.896 -0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.681 -13.929 -0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.434 -12.675 0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.394 -14.355 2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.532 -15.650 0.941 1.00 0.00 H new ATOM 966 N HIS A 87 5.603 -12.204 1.318 1.00 0.00 N ATOM 967 CA HIS A 87 4.919 -11.712 2.508 1.00 0.00 C ATOM 968 C HIS A 87 3.405 -11.739 2.315 1.00 0.00 C ATOM 969 O HIS A 87 2.696 -10.838 2.761 1.00 0.00 O ATOM 970 CB HIS A 87 5.380 -10.292 2.851 1.00 0.00 C ATOM 971 CG HIS A 87 6.805 -10.216 3.304 1.00 0.00 C ATOM 972 ND1 HIS A 87 7.508 -9.030 3.351 1.00 0.00 N ATOM 973 CD2 HIS A 87 7.658 -11.176 3.731 1.00 0.00 C ATOM 974 CE1 HIS A 87 8.733 -9.265 3.787 1.00 0.00 C ATOM 975 NE2 HIS A 87 8.848 -10.560 4.024 1.00 0.00 N ATOM 0 H HIS A 87 5.760 -11.498 0.599 1.00 0.00 H new ATOM 0 HA HIS A 87 5.175 -12.372 3.337 1.00 0.00 H new ATOM 0 HB2 HIS A 87 5.252 -9.656 1.975 1.00 0.00 H new ATOM 0 HB3 HIS A 87 4.737 -9.890 3.634 1.00 0.00 H new ATOM 0 HD2 HIS A 87 7.442 -12.230 3.824 1.00 0.00 H new ATOM 0 HE1 HIS A 87 9.508 -8.525 3.926 1.00 0.00 H new ATOM 0 HE2 HIS A 87 9.687 -11.026 4.369 1.00 0.00 H new ATOM 983 N ILE A 88 2.917 -12.781 1.647 1.00 0.00 N ATOM 984 CA ILE A 88 1.484 -13.037 1.576 1.00 0.00 C ATOM 985 C ILE A 88 1.094 -14.223 2.450 1.00 0.00 C ATOM 986 O ILE A 88 1.677 -15.301 2.351 1.00 0.00 O ATOM 987 CB ILE A 88 1.031 -13.307 0.129 1.00 0.00 C ATOM 988 CG1 ILE A 88 1.234 -12.059 -0.734 1.00 0.00 C ATOM 989 CG2 ILE A 88 -0.425 -13.746 0.101 1.00 0.00 C ATOM 990 CD1 ILE A 88 0.992 -12.291 -2.209 1.00 0.00 C ATOM 0 H ILE A 88 3.493 -13.460 1.149 1.00 0.00 H new ATOM 0 HA ILE A 88 0.984 -12.140 1.942 1.00 0.00 H new ATOM 0 HB ILE A 88 1.640 -14.113 -0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.564 -11.274 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.252 -11.694 -0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.729 -13.933 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.541 -14.659 0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.050 -12.961 0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.155 -11.362 -2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.680 -13.053 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.034 -12.626 -2.361 1.00 0.00 H new ATOM 1002 N GLY A 89 0.099 -14.016 3.309 1.00 0.00 N ATOM 1003 CA GLY A 89 -0.397 -15.095 4.144 1.00 0.00 C ATOM 1004 C GLY A 89 0.493 -15.354 5.344 1.00 0.00 C ATOM 1005 O GLY A 89 0.529 -16.468 5.868 1.00 0.00 O ATOM 0 H GLY A 89 -0.372 -13.121 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.403 -14.852 4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.474 -16.005 3.549 1.00 0.00 H new ATOM 1009 N LYS A 90 1.212 -14.326 5.778 1.00 0.00 N ATOM 1010 CA LYS A 90 2.078 -14.437 6.945 1.00 0.00 C ATOM 1011 C LYS A 90 1.346 -14.001 8.210 1.00 0.00 C ATOM 1012 O LYS A 90 0.254 -13.439 8.142 1.00 0.00 O ATOM 1013 CB LYS A 90 3.347 -13.603 6.755 1.00 0.00 C ATOM 1014 CG LYS A 90 3.165 -12.113 7.018 1.00 0.00 C ATOM 1015 CD LYS A 90 2.422 -11.436 5.875 1.00 0.00 C ATOM 1016 CE LYS A 90 2.407 -9.924 6.043 1.00 0.00 C ATOM 1017 NZ LYS A 90 1.786 -9.240 4.877 1.00 0.00 N ATOM 0 H LYS A 90 1.212 -13.405 5.339 1.00 0.00 H new ATOM 0 HA LYS A 90 2.361 -15.484 7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.122 -13.985 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.707 -13.738 5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.614 -11.970 7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.140 -11.643 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.895 -11.694 4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.399 -11.809 5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.859 -9.665 6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.427 -9.564 6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.214 -8.300 4.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.945 -9.804 4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.764 -9.137 5.039 1.00 0.00 H new ATOM 1031 N GLN A 91 1.956 -14.262 9.362 1.00 0.00 N ATOM 1032 CA GLN A 91 1.298 -14.038 10.643 1.00 0.00 C ATOM 1033 C GLN A 91 1.789 -12.746 11.288 1.00 0.00 C ATOM 1034 O GLN A 91 1.918 -12.660 12.511 1.00 0.00 O ATOM 1035 CB GLN A 91 1.544 -15.216 11.589 1.00 0.00 C ATOM 1036 CG GLN A 91 3.002 -15.416 11.967 1.00 0.00 C ATOM 1037 CD GLN A 91 3.204 -16.610 12.881 1.00 0.00 C ATOM 1038 OE1 GLN A 91 2.239 -17.210 13.365 1.00 0.00 O ATOM 1039 NE2 GLN A 91 4.460 -16.959 13.128 1.00 0.00 N ATOM 0 H GLN A 91 2.905 -14.629 9.434 1.00 0.00 H new ATOM 0 HA GLN A 91 0.227 -13.951 10.457 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.962 -15.065 12.498 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.173 -16.128 11.120 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.594 -15.551 11.062 1.00 0.00 H new ATOM 0 HG3 GLN A 91 3.373 -14.518 12.460 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.227 -16.435 12.707 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.658 -17.751 13.739 1.00 0.00 H new ATOM 1048 N LEU A 92 2.062 -11.744 10.460 1.00 0.00 N ATOM 1049 CA LEU A 92 2.564 -10.463 10.949 1.00 0.00 C ATOM 1050 C LEU A 92 1.441 -9.433 11.027 1.00 0.00 C ATOM 1051 O LEU A 92 0.448 -9.504 10.302 1.00 0.00 O ATOM 1052 CB LEU A 92 3.679 -9.949 10.037 1.00 0.00 C ATOM 1053 CG LEU A 92 4.851 -10.905 9.805 1.00 0.00 C ATOM 1054 CD1 LEU A 92 5.855 -10.293 8.841 1.00 0.00 C ATOM 1055 CD2 LEU A 92 5.522 -11.256 11.124 1.00 0.00 C ATOM 0 H LEU A 92 1.945 -11.793 9.448 1.00 0.00 H new ATOM 0 HA LEU A 92 2.964 -10.615 11.952 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.243 -9.699 9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.069 -9.023 10.460 1.00 0.00 H new ATOM 0 HG LEU A 92 4.464 -11.823 9.362 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.682 -10.987 8.688 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.368 -10.093 7.887 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.236 -9.360 9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.353 -11.937 10.940 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.895 -10.347 11.596 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.799 -11.736 11.783 1.00 0.00 H new ATOM 1067 N PRO A 93 1.600 -8.451 11.927 1.00 0.00 N ATOM 1068 CA PRO A 93 0.654 -7.338 12.059 1.00 0.00 C ATOM 1069 C PRO A 93 0.720 -6.379 10.875 1.00 0.00 C ATOM 1070 O PRO A 93 1.599 -6.491 10.019 1.00 0.00 O ATOM 1071 CB PRO A 93 1.111 -6.637 13.341 1.00 0.00 C ATOM 1072 CG PRO A 93 2.562 -6.955 13.451 1.00 0.00 C ATOM 1073 CD PRO A 93 2.724 -8.345 12.899 1.00 0.00 C ATOM 0 HA PRO A 93 -0.380 -7.682 12.089 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.945 -5.561 13.285 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.560 -7.000 14.208 1.00 0.00 H new ATOM 0 HG2 PRO A 93 3.162 -6.239 12.889 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.895 -6.905 14.488 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.691 -8.477 12.414 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.654 -9.101 13.681 1.00 0.00 H new ATOM 1081 N LEU A 94 -0.215 -5.437 10.832 1.00 0.00 N ATOM 1082 CA LEU A 94 -0.295 -4.490 9.724 1.00 0.00 C ATOM 1083 C LEU A 94 0.913 -3.560 9.716 1.00 0.00 C ATOM 1084 O LEU A 94 1.346 -3.098 8.661 1.00 0.00 O ATOM 1085 CB LEU A 94 -1.594 -3.679 9.813 1.00 0.00 C ATOM 1086 CG LEU A 94 -2.880 -4.476 9.558 1.00 0.00 C ATOM 1087 CD1 LEU A 94 -4.098 -3.603 9.832 1.00 0.00 C ATOM 1088 CD2 LEU A 94 -2.890 -4.982 8.123 1.00 0.00 C ATOM 0 H LEU A 94 -0.928 -5.308 11.550 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.295 -5.053 8.791 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.655 -3.228 10.804 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.543 -2.862 9.094 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.916 -5.333 10.231 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.006 -4.177 9.648 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.082 -3.272 10.870 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.079 -2.734 9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.804 -5.548 7.943 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.847 -4.135 7.438 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.026 -5.626 7.958 1.00 0.00 H new ATOM 1100 N ASN A 95 1.457 -3.292 10.898 1.00 0.00 N ATOM 1101 CA ASN A 95 2.645 -2.455 11.022 1.00 0.00 C ATOM 1102 C ASN A 95 3.866 -3.152 10.429 1.00 0.00 C ATOM 1103 O ASN A 95 4.681 -2.527 9.751 1.00 0.00 O ATOM 1104 CB ASN A 95 2.908 -2.071 12.466 1.00 0.00 C ATOM 1105 CG ASN A 95 1.942 -1.054 13.008 1.00 0.00 C ATOM 1106 OD1 ASN A 95 1.294 -0.321 12.253 1.00 0.00 O ATOM 1107 ND2 ASN A 95 1.902 -0.949 14.311 1.00 0.00 N ATOM 0 H ASN A 95 1.094 -3.642 11.784 1.00 0.00 H new ATOM 0 HA ASN A 95 2.458 -1.540 10.460 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.863 -2.967 13.085 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.921 -1.677 12.549 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.316 -0.237 14.748 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.456 -1.579 14.891 1.00 0.00 H new ATOM 1114 N GLN A 96 3.984 -4.451 10.689 1.00 0.00 N ATOM 1115 CA GLN A 96 5.114 -5.228 10.195 1.00 0.00 C ATOM 1116 C GLN A 96 4.750 -5.959 8.906 1.00 0.00 C ATOM 1117 O GLN A 96 5.418 -6.914 8.514 1.00 0.00 O ATOM 1118 CB GLN A 96 5.573 -6.238 11.251 1.00 0.00 C ATOM 1119 CG GLN A 96 5.998 -5.611 12.568 1.00 0.00 C ATOM 1120 CD GLN A 96 7.192 -4.688 12.411 1.00 0.00 C ATOM 1121 OE1 GLN A 96 8.179 -5.033 11.755 1.00 0.00 O ATOM 1122 NE2 GLN A 96 7.111 -3.508 13.016 1.00 0.00 N ATOM 0 H GLN A 96 3.311 -4.986 11.238 1.00 0.00 H new ATOM 0 HA GLN A 96 5.930 -4.536 9.985 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.763 -6.942 11.441 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.407 -6.813 10.849 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.162 -5.051 12.987 1.00 0.00 H new ATOM 0 HG3 GLN A 96 6.243 -6.399 13.280 1.00 0.00 H new ATOM 0 HE21 GLN A 96 6.276 -3.264 13.548 1.00 0.00 H new ATOM 0 HE22 GLN A 96 7.884 -2.846 12.948 1.00 0.00 H new ATOM 1131 N ALA A 97 3.687 -5.502 8.253 1.00 0.00 N ATOM 1132 CA ALA A 97 3.233 -6.113 7.010 1.00 0.00 C ATOM 1133 C ALA A 97 3.493 -5.196 5.820 1.00 0.00 C ATOM 1134 O ALA A 97 3.207 -3.999 5.872 1.00 0.00 O ATOM 1135 CB ALA A 97 1.755 -6.458 7.101 1.00 0.00 C ATOM 0 H ALA A 97 3.124 -4.710 8.564 1.00 0.00 H new ATOM 0 HA ALA A 97 3.800 -7.031 6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.429 -6.914 6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.595 -7.158 7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.180 -5.550 7.282 1.00 0.00 H new ATOM 1141 N ARG A 98 4.037 -5.764 4.749 1.00 0.00 N ATOM 1142 CA ARG A 98 4.149 -5.053 3.480 1.00 0.00 C ATOM 1143 C ARG A 98 2.956 -5.359 2.578 1.00 0.00 C ATOM 1144 O ARG A 98 3.121 -5.663 1.398 1.00 0.00 O ATOM 1145 CB ARG A 98 5.469 -5.333 2.779 1.00 0.00 C ATOM 1146 CG ARG A 98 6.696 -4.759 3.471 1.00 0.00 C ATOM 1147 CD ARG A 98 7.982 -5.084 2.806 1.00 0.00 C ATOM 1148 NE ARG A 98 9.146 -4.443 3.397 1.00 0.00 N ATOM 1149 CZ ARG A 98 9.845 -4.937 4.437 1.00 0.00 C ATOM 1150 NH1 ARG A 98 9.484 -6.054 5.027 1.00 0.00 N ATOM 1151 NH2 ARG A 98 10.893 -4.254 4.864 1.00 0.00 N ATOM 0 H ARG A 98 4.407 -6.714 4.734 1.00 0.00 H new ATOM 0 HA ARG A 98 4.137 -3.986 3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.593 -6.412 2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.419 -4.931 1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.593 -3.675 3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.727 -5.129 4.496 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.126 -6.164 2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.917 -4.795 1.757 1.00 0.00 H new ATOM 0 HE ARG A 98 9.455 -3.557 2.996 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.663 -6.562 4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.025 -6.413 5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.152 -3.379 4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.443 -4.602 5.650 1.00 0.00 H new ATOM 1165 N ALA A 99 1.756 -5.277 3.144 1.00 0.00 N ATOM 1166 CA ALA A 99 0.536 -5.505 2.380 1.00 0.00 C ATOM 1167 C ALA A 99 -0.691 -5.023 3.148 1.00 0.00 C ATOM 1168 O ALA A 99 -0.803 -5.239 4.355 1.00 0.00 O ATOM 1169 CB ALA A 99 0.397 -6.979 2.034 1.00 0.00 C ATOM 0 H ALA A 99 1.603 -5.055 4.128 1.00 0.00 H new ATOM 0 HA ALA A 99 0.604 -4.931 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.519 -7.134 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.253 -7.295 1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.356 -7.566 2.952 1.00 0.00 H new ATOM 1175 N TRP A 100 -1.606 -4.368 2.443 1.00 0.00 N ATOM 1176 CA TRP A 100 -2.836 -3.879 3.054 1.00 0.00 C ATOM 1177 C TRP A 100 -4.045 -4.221 2.192 1.00 0.00 C ATOM 1178 O TRP A 100 -3.910 -4.515 1.005 1.00 0.00 O ATOM 1179 CB TRP A 100 -2.757 -2.367 3.267 1.00 0.00 C ATOM 1180 CG TRP A 100 -1.489 -1.926 3.935 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -1.323 -1.619 5.256 1.00 0.00 C ATOM 1182 CD2 TRP A 100 -0.213 -1.742 3.315 1.00 0.00 C ATOM 1183 NE1 TRP A 100 -0.020 -1.255 5.493 1.00 0.00 N ATOM 1184 CE2 TRP A 100 0.681 -1.322 4.319 1.00 0.00 C ATOM 1185 CE3 TRP A 100 0.263 -1.891 2.009 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 2.022 -1.051 4.056 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 1.593 -1.622 1.750 1.00 0.00 C ATOM 1188 CH2 TRP A 100 2.461 -1.206 2.770 1.00 0.00 C ATOM 0 H TRP A 100 -1.519 -4.163 1.448 1.00 0.00 H new ATOM 0 HA TRP A 100 -2.952 -4.369 4.020 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -2.844 -1.866 2.303 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.607 -2.047 3.870 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -2.102 -1.657 6.004 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.363 -0.979 6.397 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.397 -2.211 1.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 2.691 -0.730 4.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.971 -1.734 0.745 1.00 0.00 H new ATOM 0 HH2 TRP A 100 3.496 -1.004 2.536 1.00 0.00 H new ATOM 1199 N SER A 101 -5.229 -4.181 2.799 1.00 0.00 N ATOM 1200 CA SER A 101 -6.459 -4.527 2.094 1.00 0.00 C ATOM 1201 C SER A 101 -7.094 -3.289 1.470 1.00 0.00 C ATOM 1202 O SER A 101 -6.922 -2.175 1.962 1.00 0.00 O ATOM 1203 CB SER A 101 -7.430 -5.204 3.040 1.00 0.00 C ATOM 1204 OG SER A 101 -7.860 -4.344 4.059 1.00 0.00 O ATOM 0 H SER A 101 -5.362 -3.913 3.774 1.00 0.00 H new ATOM 0 HA SER A 101 -6.212 -5.220 1.290 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.294 -5.560 2.478 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.954 -6.079 3.482 1.00 0.00 H new ATOM 0 HG SER A 101 -8.485 -4.819 4.645 1.00 0.00 H new ATOM 1210 N TRP A 102 -7.831 -3.495 0.384 1.00 0.00 N ATOM 1211 CA TRP A 102 -8.645 -2.433 -0.199 1.00 0.00 C ATOM 1212 C TRP A 102 -9.667 -1.917 0.808 1.00 0.00 C ATOM 1213 O TRP A 102 -10.015 -0.736 0.801 1.00 0.00 O ATOM 1214 CB TRP A 102 -9.357 -2.940 -1.453 1.00 0.00 C ATOM 1215 CG TRP A 102 -8.558 -2.754 -2.707 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -8.228 -3.716 -3.620 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -7.985 -1.531 -3.185 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -7.485 -3.164 -4.636 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -7.324 -1.825 -4.393 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -7.969 -0.218 -2.711 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -6.653 -0.853 -5.130 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -7.304 0.746 -3.443 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -6.653 0.426 -4.642 1.00 0.00 C ATOM 0 H TRP A 102 -7.882 -4.386 -0.110 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.985 -1.610 -0.472 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -9.585 -3.999 -1.330 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.309 -2.419 -1.557 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.510 -4.756 -3.553 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.114 -3.669 -5.441 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.468 0.039 -1.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.150 -1.099 -6.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.285 1.765 -3.085 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.142 1.203 -5.191 1.00 0.00 H new ATOM 1234 N GLU A 103 -10.145 -2.807 1.671 1.00 0.00 N ATOM 1235 CA GLU A 103 -11.090 -2.428 2.714 1.00 0.00 C ATOM 1236 C GLU A 103 -10.423 -1.535 3.755 1.00 0.00 C ATOM 1237 O GLU A 103 -11.042 -0.616 4.292 1.00 0.00 O ATOM 1238 CB GLU A 103 -11.680 -3.672 3.383 1.00 0.00 C ATOM 1239 CG GLU A 103 -12.628 -4.471 2.501 1.00 0.00 C ATOM 1240 CD GLU A 103 -13.101 -5.718 3.196 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -12.655 -5.971 4.289 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -13.991 -6.358 2.685 1.00 0.00 O ATOM 0 H GLU A 103 -9.893 -3.795 1.669 1.00 0.00 H new ATOM 0 HA GLU A 103 -11.899 -1.865 2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.863 -4.321 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.212 -3.367 4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.486 -3.854 2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.125 -4.739 1.572 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.154 -1.813 4.039 1.00 0.00 N ATOM 1250 CA PHE A 104 -8.357 -0.952 4.905 1.00 0.00 C ATOM 1251 C PHE A 104 -8.153 0.420 4.268 1.00 0.00 C ATOM 1252 O PHE A 104 -8.282 1.448 4.931 1.00 0.00 O ATOM 1253 CB PHE A 104 -7.006 -1.600 5.210 1.00 0.00 C ATOM 1254 CG PHE A 104 -6.094 -0.741 6.038 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -6.262 -0.652 7.412 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -5.069 -0.020 5.447 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -5.424 0.139 8.177 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -4.229 0.770 6.208 1.00 0.00 C ATOM 1259 CZ PHE A 104 -4.407 0.849 7.575 1.00 0.00 C ATOM 0 H PHE A 104 -8.656 -2.628 3.682 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.900 -0.819 5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.175 -2.542 5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.509 -1.841 4.270 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.056 -1.207 7.890 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.925 -0.076 4.378 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.566 0.200 9.246 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.433 1.326 5.734 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.751 1.466 8.171 1.00 0.00 H new ATOM 1269 N ILE A 105 -7.832 0.424 2.978 1.00 0.00 N ATOM 1270 CA ILE A 105 -7.679 1.669 2.234 1.00 0.00 C ATOM 1271 C ILE A 105 -8.983 2.461 2.214 1.00 0.00 C ATOM 1272 O ILE A 105 -8.979 3.687 2.333 1.00 0.00 O ATOM 1273 CB ILE A 105 -7.223 1.410 0.787 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -5.809 0.826 0.768 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -7.284 2.693 -0.028 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.414 0.223 -0.559 1.00 0.00 C ATOM 0 H ILE A 105 -7.673 -0.420 2.427 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.912 2.250 2.746 1.00 0.00 H new ATOM 0 HB ILE A 105 -7.900 0.685 0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.098 1.612 1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.732 0.061 1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.958 2.492 -1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.308 3.067 -0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.630 3.441 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.399 -0.169 -0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.100 -0.586 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.457 0.989 -1.334 1.00 0.00 H new ATOM 1288 N LYS A 106 -10.096 1.752 2.065 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.414 2.375 2.123 1.00 0.00 C ATOM 1290 C LYS A 106 -11.692 2.932 3.515 1.00 0.00 C ATOM 1291 O LYS A 106 -12.294 3.996 3.659 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.500 1.373 1.727 1.00 0.00 C ATOM 1293 CG LYS A 106 -12.538 1.039 0.244 1.00 0.00 C ATOM 1294 CD LYS A 106 -13.499 -0.106 -0.042 1.00 0.00 C ATOM 1295 CE LYS A 106 -14.940 0.302 0.221 1.00 0.00 C ATOM 1296 NZ LYS A 106 -15.897 -0.790 -0.109 1.00 0.00 N ATOM 0 H LYS A 106 -10.113 0.745 1.903 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.427 3.203 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.350 0.452 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.470 1.772 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.841 1.920 -0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.538 0.770 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.392 -0.422 -1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.242 -0.963 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.053 0.579 1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.180 1.186 -0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.868 -0.471 0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.808 -1.037 -1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.685 -1.625 0.473 1.00 0.00 H new ATOM 1310 N ASN A 107 -11.248 2.207 4.537 1.00 0.00 N ATOM 1311 CA ASN A 107 -11.424 2.644 5.918 1.00 0.00 C ATOM 1312 C ASN A 107 -10.678 3.950 6.174 1.00 0.00 C ATOM 1313 O ASN A 107 -11.157 4.816 6.908 1.00 0.00 O ATOM 1314 CB ASN A 107 -10.975 1.578 6.900 1.00 0.00 C ATOM 1315 CG ASN A 107 -11.922 0.415 7.005 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -13.103 0.515 6.651 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -11.433 -0.662 7.567 1.00 0.00 N ATOM 0 H ASN A 107 -10.764 1.315 4.435 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.489 2.816 6.073 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.994 1.210 6.600 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.858 2.030 7.885 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.034 -1.469 7.731 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.451 -0.693 7.841 1.00 0.00 H new ATOM 1324 N ARG A 108 -9.504 4.084 5.566 1.00 0.00 N ATOM 1325 CA ARG A 108 -8.713 5.302 5.695 1.00 0.00 C ATOM 1326 C ARG A 108 -9.364 6.457 4.942 1.00 0.00 C ATOM 1327 O ARG A 108 -9.348 7.600 5.402 1.00 0.00 O ATOM 1328 CB ARG A 108 -7.268 5.097 5.262 1.00 0.00 C ATOM 1329 CG ARG A 108 -6.451 4.191 6.170 1.00 0.00 C ATOM 1330 CD ARG A 108 -6.262 4.715 7.547 1.00 0.00 C ATOM 1331 NE ARG A 108 -5.372 3.920 8.378 1.00 0.00 N ATOM 1332 CZ ARG A 108 -5.191 4.103 9.700 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -5.806 5.073 10.339 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -4.358 3.296 10.334 1.00 0.00 N ATOM 0 H ARG A 108 -9.080 3.365 4.980 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.688 5.562 6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.261 4.680 4.255 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.779 6.069 5.207 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.939 3.218 6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.472 4.030 5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.870 5.730 7.485 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -7.235 4.778 8.035 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.847 3.170 7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.431 5.701 9.833 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.658 5.198 11.340 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.873 2.559 9.822 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.200 3.410 11.335 1.00 0.00 H new ATOM 1348 N LEU A 109 -9.939 6.153 3.783 1.00 0.00 N ATOM 1349 CA LEU A 109 -10.706 7.138 3.027 1.00 0.00 C ATOM 1350 C LEU A 109 -11.946 7.574 3.803 1.00 0.00 C ATOM 1351 O LEU A 109 -12.347 8.735 3.748 1.00 0.00 O ATOM 1352 CB LEU A 109 -11.102 6.567 1.661 1.00 0.00 C ATOM 1353 CG LEU A 109 -9.941 6.358 0.678 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -10.433 5.625 -0.562 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -9.339 7.704 0.308 1.00 0.00 C ATOM 0 H LEU A 109 -9.889 5.233 3.346 1.00 0.00 H new ATOM 0 HA LEU A 109 -10.078 8.015 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.602 5.611 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.829 7.237 1.202 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.170 5.749 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.603 5.481 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.838 4.655 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.212 6.213 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.515 7.555 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.101 8.328 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.968 8.196 1.207 1.00 0.00 H new ATOM 1367 N LYS A 110 -12.544 6.634 4.527 1.00 0.00 N ATOM 1368 CA LYS A 110 -13.678 6.941 5.390 1.00 0.00 C ATOM 1369 C LYS A 110 -13.258 7.856 6.537 1.00 0.00 C ATOM 1370 O LYS A 110 -14.040 8.686 6.998 1.00 0.00 O ATOM 1371 CB LYS A 110 -14.298 5.655 5.939 1.00 0.00 C ATOM 1372 CG LYS A 110 -15.074 4.843 4.911 1.00 0.00 C ATOM 1373 CD LYS A 110 -15.566 3.529 5.501 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.383 2.739 4.489 1.00 0.00 C ATOM 1375 NZ LYS A 110 -16.864 1.447 5.051 1.00 0.00 N ATOM 0 H LYS A 110 -12.262 5.654 4.533 1.00 0.00 H new ATOM 0 HA LYS A 110 -14.425 7.462 4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.505 5.032 6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -14.966 5.910 6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -15.924 5.424 4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.439 4.642 4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -14.714 2.933 5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.173 3.729 6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.237 3.335 4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.777 2.547 3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.416 0.939 4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.049 0.867 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.464 1.631 5.881 1.00 0.00 H new ATOM 1389 N GLU A 111 -12.017 7.697 6.989 1.00 0.00 N ATOM 1390 CA GLU A 111 -11.445 8.601 7.980 1.00 0.00 C ATOM 1391 C GLU A 111 -11.169 9.972 7.369 1.00 0.00 C ATOM 1392 O GLU A 111 -11.051 10.970 8.081 1.00 0.00 O ATOM 1393 CB GLU A 111 -10.158 8.014 8.563 1.00 0.00 C ATOM 1394 CG GLU A 111 -10.373 6.822 9.486 1.00 0.00 C ATOM 1395 CD GLU A 111 -9.063 6.255 9.960 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -8.040 6.748 9.548 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -9.083 5.404 10.817 1.00 0.00 O ATOM 0 H GLU A 111 -11.390 6.952 6.685 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.170 8.722 8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.507 7.711 7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.634 8.795 9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.972 7.127 10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.937 6.051 8.962 1.00 0.00 H new ATOM 1404 N LEU A 112 -11.068 10.012 6.045 1.00 0.00 N ATOM 1405 CA LEU A 112 -10.870 11.269 5.331 1.00 0.00 C ATOM 1406 C LEU A 112 -12.205 11.864 4.892 1.00 0.00 C ATOM 1407 O LEU A 112 -12.252 12.750 4.041 1.00 0.00 O ATOM 1408 CB LEU A 112 -9.956 11.052 4.119 1.00 0.00 C ATOM 1409 CG LEU A 112 -8.546 10.543 4.447 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -7.773 10.285 3.161 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -7.825 11.564 5.313 1.00 0.00 C ATOM 0 H LEU A 112 -11.120 9.189 5.444 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.392 11.976 6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.434 10.340 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.868 11.994 3.577 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.617 9.605 4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.773 9.924 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.295 9.535 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.696 11.211 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.824 11.202 5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.753 12.510 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.381 11.713 6.239 1.00 0.00 H new