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 -23:sc= 0.65 USER MOD Set 1.2: A 59 ASN : amide:sc= 1.25 K(o=1.9,f=-7.7!) USER MOD Single : A 42 THR OG1 : rot 160:sc= -0.0967 USER MOD Single : A 44 GLN : amide:sc= -0.0781 X(o=-0.078,f=-0.26) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 178:sc= -0.416 (180deg=-0.426) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot -76:sc= 0.0238 USER MOD Single : A 62 GLN : amide:sc= 0.085 K(o=0.085,f=-1.2) USER MOD Single : A 65 SER OG : rot -21:sc= 0.68 USER MOD Single : A 67 THR OG1 : rot -91:sc= 1.01 USER MOD Single : A 68 ASN : amide:sc= -0.032 K(o=-0.032,f=-1.1) USER MOD Single : A 69 ASN : amide:sc= -0.142 K(o=-0.14,f=-1.3!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= -0.026 (180deg=-0.026) USER MOD Single : A 74 THR OG1 : rot 162:sc= 0.713 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -168:sc= 0.725 (180deg=0.64) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 95 ASN : amide:sc= -0.0189 K(o=-0.019,f=-1.3) USER MOD Single : A 96 GLN : amide:sc= -0.0346 X(o=-0.035,f=-0.14) USER MOD Single : A 101 SER OG : rot 180:sc= 0.7 USER MOD Single : A 106 LYS NZ :NH3+ 169:sc= 0.802 (180deg=0.722) USER MOD Single : A 107 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.5!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N VAL A 38 -1.278 -9.481 -12.422 1.00 0.00 N ATOM 148 CA VAL A 38 -1.855 -8.468 -11.547 1.00 0.00 C ATOM 149 C VAL A 38 -2.321 -7.255 -12.343 1.00 0.00 C ATOM 150 O VAL A 38 -2.161 -7.201 -13.563 1.00 0.00 O ATOM 151 CB VAL A 38 -0.850 -8.010 -10.473 1.00 0.00 C ATOM 152 CG1 VAL A 38 -0.529 -9.154 -9.521 1.00 0.00 C ATOM 153 CG2 VAL A 38 0.422 -7.487 -11.122 1.00 0.00 C ATOM 0 HA VAL A 38 -2.712 -8.928 -11.056 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.303 -7.201 -9.900 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.182 -8.813 -8.769 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.444 -9.487 -9.031 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.095 -9.983 -10.081 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.120 -7.168 -10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.878 -8.277 -11.719 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.181 -6.640 -11.765 1.00 0.00 H new ATOM 163 N ARG A 39 -2.899 -6.283 -11.646 1.00 0.00 N ATOM 164 CA ARG A 39 -3.294 -5.024 -12.270 1.00 0.00 C ATOM 165 C ARG A 39 -2.169 -3.998 -12.176 1.00 0.00 C ATOM 166 O ARG A 39 -1.279 -4.113 -11.334 1.00 0.00 O ATOM 167 CB ARG A 39 -4.597 -4.483 -11.701 1.00 0.00 C ATOM 168 CG ARG A 39 -5.771 -5.446 -11.764 1.00 0.00 C ATOM 169 CD ARG A 39 -6.200 -5.802 -13.142 1.00 0.00 C ATOM 170 NE ARG A 39 -6.680 -4.681 -13.932 1.00 0.00 N ATOM 171 CZ ARG A 39 -7.943 -4.210 -13.903 1.00 0.00 C ATOM 172 NH1 ARG A 39 -8.861 -4.781 -13.156 1.00 0.00 N ATOM 173 NH2 ARG A 39 -8.239 -3.172 -14.665 1.00 0.00 N ATOM 0 H ARG A 39 -3.105 -6.342 -10.649 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.479 -5.226 -13.325 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.433 -4.200 -10.661 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.862 -3.574 -12.240 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.505 -6.359 -11.232 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.616 -5.004 -11.236 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.361 -6.264 -13.662 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.989 -6.552 -13.081 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.015 -4.218 -14.552 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.623 -5.593 -12.587 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.812 -4.412 -13.145 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.521 -2.750 -15.253 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.186 -2.793 -14.665 1.00 0.00 H new ATOM 187 N GLU A 40 -2.217 -2.994 -13.048 1.00 0.00 N ATOM 188 CA GLU A 40 -1.065 -2.133 -13.282 1.00 0.00 C ATOM 189 C GLU A 40 -0.876 -1.149 -12.131 1.00 0.00 C ATOM 190 O GLU A 40 -1.636 -1.157 -11.162 1.00 0.00 O ATOM 191 CB GLU A 40 -1.219 -1.377 -14.604 1.00 0.00 C ATOM 192 CG GLU A 40 -2.362 -0.372 -14.622 1.00 0.00 C ATOM 193 CD GLU A 40 -2.486 0.288 -15.968 1.00 0.00 C ATOM 194 OE1 GLU A 40 -1.694 -0.007 -16.828 1.00 0.00 O ATOM 195 OE2 GLU A 40 -3.439 1.005 -16.170 1.00 0.00 O ATOM 0 H GLU A 40 -3.040 -2.758 -13.602 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.179 -2.765 -13.341 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.288 -0.854 -14.820 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.373 -2.099 -15.406 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.296 -0.876 -14.374 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.195 0.386 -13.857 1.00 0.00 H new ATOM 202 N LEU A 41 0.141 -0.302 -12.246 1.00 0.00 N ATOM 203 CA LEU A 41 0.437 0.681 -11.209 1.00 0.00 C ATOM 204 C LEU A 41 0.158 2.096 -11.703 1.00 0.00 C ATOM 205 O LEU A 41 1.070 2.815 -12.111 1.00 0.00 O ATOM 206 CB LEU A 41 1.898 0.561 -10.768 1.00 0.00 C ATOM 207 CG LEU A 41 2.232 -0.628 -9.868 1.00 0.00 C ATOM 208 CD1 LEU A 41 2.542 -1.860 -10.707 1.00 0.00 C ATOM 209 CD2 LEU A 41 3.404 -0.295 -8.956 1.00 0.00 C ATOM 0 H LEU A 41 0.774 -0.276 -13.046 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.212 0.480 -10.357 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.522 0.502 -11.660 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.175 1.476 -10.245 1.00 0.00 H new ATOM 0 HG LEU A 41 1.363 -0.844 -9.246 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.778 -2.697 -10.050 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.675 -2.111 -11.319 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.395 -1.655 -11.354 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.627 -1.153 -8.323 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.278 -0.053 -9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.147 0.560 -8.331 1.00 0.00 H new ATOM 221 N THR A 42 -1.111 2.492 -11.663 1.00 0.00 N ATOM 222 CA THR A 42 -1.516 3.811 -12.129 1.00 0.00 C ATOM 223 C THR A 42 -1.218 4.880 -11.084 1.00 0.00 C ATOM 224 O THR A 42 -1.141 4.607 -9.887 1.00 0.00 O ATOM 225 CB THR A 42 -3.014 3.852 -12.480 1.00 0.00 C ATOM 226 OG1 THR A 42 -3.791 3.636 -11.295 1.00 0.00 O ATOM 227 CG2 THR A 42 -3.352 2.781 -13.505 1.00 0.00 C ATOM 0 H THR A 42 -1.876 1.916 -11.312 1.00 0.00 H new ATOM 0 HA THR A 42 -0.937 4.017 -13.029 1.00 0.00 H new ATOM 0 HB THR A 42 -3.246 4.830 -12.902 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.701 3.971 -11.435 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.415 2.826 -13.741 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.772 2.950 -14.412 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.111 1.799 -13.098 1.00 0.00 H new ATOM 235 N PRO A 43 -1.047 6.128 -11.545 1.00 0.00 N ATOM 236 CA PRO A 43 -0.866 7.282 -10.658 1.00 0.00 C ATOM 237 C PRO A 43 -2.074 7.516 -9.756 1.00 0.00 C ATOM 238 O PRO A 43 -1.944 8.060 -8.659 1.00 0.00 O ATOM 239 CB PRO A 43 -0.637 8.453 -11.619 1.00 0.00 C ATOM 240 CG PRO A 43 -1.262 8.012 -12.897 1.00 0.00 C ATOM 241 CD PRO A 43 -1.035 6.525 -12.961 1.00 0.00 C ATOM 0 HA PRO A 43 -0.037 7.140 -9.964 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.097 9.368 -11.247 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.426 8.660 -11.747 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.326 8.248 -12.916 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.808 8.516 -13.751 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.818 6.021 -13.528 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.087 6.282 -13.441 1.00 0.00 H new ATOM 249 N GLN A 44 -3.246 7.099 -10.224 1.00 0.00 N ATOM 250 CA GLN A 44 -4.461 7.179 -9.422 1.00 0.00 C ATOM 251 C GLN A 44 -4.431 6.160 -8.288 1.00 0.00 C ATOM 252 O GLN A 44 -4.737 6.486 -7.141 1.00 0.00 O ATOM 253 CB GLN A 44 -5.698 6.950 -10.294 1.00 0.00 C ATOM 254 CG GLN A 44 -7.017 7.109 -9.559 1.00 0.00 C ATOM 255 CD GLN A 44 -7.222 8.519 -9.038 1.00 0.00 C ATOM 256 OE1 GLN A 44 -6.986 9.499 -9.750 1.00 0.00 O ATOM 257 NE2 GLN A 44 -7.661 8.629 -7.789 1.00 0.00 N ATOM 0 H GLN A 44 -3.380 6.702 -11.154 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.512 8.179 -8.991 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.674 7.650 -11.129 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.650 5.947 -10.717 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.837 6.849 -10.229 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.052 6.408 -8.725 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.843 7.791 -7.237 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.816 9.551 -7.382 1.00 0.00 H new ATOM 266 N GLU A 45 -4.064 4.925 -8.617 1.00 0.00 N ATOM 267 CA GLU A 45 -4.034 3.849 -7.633 1.00 0.00 C ATOM 268 C GLU A 45 -2.959 4.105 -6.580 1.00 0.00 C ATOM 269 O GLU A 45 -3.111 3.730 -5.418 1.00 0.00 O ATOM 270 CB GLU A 45 -3.794 2.502 -8.317 1.00 0.00 C ATOM 271 CG GLU A 45 -4.986 1.972 -9.099 1.00 0.00 C ATOM 272 CD GLU A 45 -4.631 0.726 -9.861 1.00 0.00 C ATOM 273 OE1 GLU A 45 -3.485 0.344 -9.836 1.00 0.00 O ATOM 274 OE2 GLU A 45 -5.523 0.093 -10.374 1.00 0.00 O ATOM 0 H GLU A 45 -3.783 4.645 -9.557 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.003 3.820 -7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.945 2.598 -8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.517 1.768 -7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.807 1.760 -8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.338 2.736 -9.792 1.00 0.00 H new ATOM 281 N LEU A 46 -1.871 4.744 -6.998 1.00 0.00 N ATOM 282 CA LEU A 46 -0.733 4.973 -6.115 1.00 0.00 C ATOM 283 C LEU A 46 -0.970 6.186 -5.223 1.00 0.00 C ATOM 284 O LEU A 46 -0.675 6.156 -4.028 1.00 0.00 O ATOM 285 CB LEU A 46 0.549 5.155 -6.937 1.00 0.00 C ATOM 286 CG LEU A 46 1.002 3.916 -7.722 1.00 0.00 C ATOM 287 CD1 LEU A 46 2.200 4.263 -8.598 1.00 0.00 C ATOM 288 CD2 LEU A 46 1.351 2.798 -6.751 1.00 0.00 C ATOM 0 H LEU A 46 -1.753 5.112 -7.942 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.618 4.099 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.398 5.975 -7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.353 5.454 -6.265 1.00 0.00 H new ATOM 0 HG LEU A 46 0.192 3.579 -8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.515 3.378 -9.151 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.922 5.050 -9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.021 4.610 -7.971 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.673 1.919 -7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.157 3.125 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.474 2.548 -6.154 1.00 0.00 H new ATOM 300 N GLU A 47 -1.506 7.251 -5.810 1.00 0.00 N ATOM 301 CA GLU A 47 -1.724 8.496 -5.083 1.00 0.00 C ATOM 302 C GLU A 47 -2.846 8.339 -4.060 1.00 0.00 C ATOM 303 O GLU A 47 -2.749 8.830 -2.935 1.00 0.00 O ATOM 304 CB GLU A 47 -2.049 9.635 -6.053 1.00 0.00 C ATOM 305 CG GLU A 47 -0.868 10.102 -6.891 1.00 0.00 C ATOM 306 CD GLU A 47 -1.291 11.128 -7.906 1.00 0.00 C ATOM 307 OE1 GLU A 47 -2.463 11.403 -7.991 1.00 0.00 O ATOM 308 OE2 GLU A 47 -0.431 11.718 -8.517 1.00 0.00 O ATOM 0 H GLU A 47 -1.797 7.277 -6.787 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.805 8.741 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.847 9.311 -6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.433 10.482 -5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.102 10.525 -6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.419 9.248 -7.399 1.00 0.00 H new ATOM 315 N LEU A 48 -3.910 7.651 -4.459 1.00 0.00 N ATOM 316 CA LEU A 48 -5.036 7.399 -3.567 1.00 0.00 C ATOM 317 C LEU A 48 -4.614 6.523 -2.390 1.00 0.00 C ATOM 318 O LEU A 48 -5.188 6.606 -1.305 1.00 0.00 O ATOM 319 CB LEU A 48 -6.178 6.729 -4.333 1.00 0.00 C ATOM 320 CG LEU A 48 -6.017 5.233 -4.606 1.00 0.00 C ATOM 321 CD1 LEU A 48 -6.319 4.426 -3.354 1.00 0.00 C ATOM 322 CD2 LEU A 48 -6.917 4.801 -5.753 1.00 0.00 C ATOM 0 H LEU A 48 -4.017 7.258 -5.394 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.381 8.357 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.101 6.878 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.298 7.241 -5.288 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.982 5.044 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.199 3.364 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.631 4.716 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.343 4.619 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.789 3.734 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.957 5.004 -5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.651 5.355 -6.653 1.00 0.00 H new ATOM 334 N PHE A 49 -3.608 5.685 -2.615 1.00 0.00 N ATOM 335 CA PHE A 49 -3.067 4.839 -1.557 1.00 0.00 C ATOM 336 C PHE A 49 -2.387 5.681 -0.481 1.00 0.00 C ATOM 337 O PHE A 49 -2.734 5.602 0.696 1.00 0.00 O ATOM 338 CB PHE A 49 -2.081 3.823 -2.136 1.00 0.00 C ATOM 339 CG PHE A 49 -1.460 2.925 -1.104 1.00 0.00 C ATOM 340 CD1 PHE A 49 -2.076 1.738 -0.736 1.00 0.00 C ATOM 341 CD2 PHE A 49 -0.261 3.265 -0.497 1.00 0.00 C ATOM 342 CE1 PHE A 49 -1.507 0.911 0.214 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.312 2.441 0.452 1.00 0.00 C ATOM 344 CZ PHE A 49 -0.313 1.262 0.808 1.00 0.00 C ATOM 0 H PHE A 49 -3.151 5.573 -3.520 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.896 4.300 -1.098 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.597 3.210 -2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.290 4.357 -2.662 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.011 1.457 -1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.232 4.187 -0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.998 -0.010 0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.247 2.718 0.915 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.133 0.616 1.550 1.00 0.00 H new ATOM 354 N LYS A 50 -1.416 6.487 -0.896 1.00 0.00 N ATOM 355 CA LYS A 50 -0.690 7.350 0.029 1.00 0.00 C ATOM 356 C LYS A 50 -1.615 8.405 0.627 1.00 0.00 C ATOM 357 O LYS A 50 -1.398 8.871 1.746 1.00 0.00 O ATOM 358 CB LYS A 50 0.490 8.018 -0.677 1.00 0.00 C ATOM 359 CG LYS A 50 0.095 9.066 -1.709 1.00 0.00 C ATOM 360 CD LYS A 50 1.321 9.709 -2.342 1.00 0.00 C ATOM 361 CE LYS A 50 0.927 10.785 -3.344 1.00 0.00 C ATOM 362 NZ LYS A 50 2.115 11.394 -4.001 1.00 0.00 N ATOM 0 H LYS A 50 -1.113 6.561 -1.867 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.307 6.731 0.840 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.128 8.486 0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.086 7.249 -1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.517 8.604 -2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.517 9.833 -1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.948 10.145 -1.564 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.918 8.946 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.274 10.353 -4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.355 11.562 -2.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.804 12.122 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.726 11.829 -3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.647 10.658 -4.507 1.00 0.00 H new ATOM 376 N ARG A 51 -2.647 8.777 -0.124 1.00 0.00 N ATOM 377 CA ARG A 51 -3.648 9.717 0.363 1.00 0.00 C ATOM 378 C ARG A 51 -4.444 9.114 1.514 1.00 0.00 C ATOM 379 O ARG A 51 -4.576 9.721 2.578 1.00 0.00 O ATOM 380 CB ARG A 51 -4.560 10.215 -0.748 1.00 0.00 C ATOM 381 CG ARG A 51 -5.547 11.293 -0.331 1.00 0.00 C ATOM 382 CD ARG A 51 -6.448 11.753 -1.418 1.00 0.00 C ATOM 383 NE ARG A 51 -5.769 12.391 -2.534 1.00 0.00 N ATOM 384 CZ ARG A 51 -5.358 13.674 -2.547 1.00 0.00 C ATOM 385 NH1 ARG A 51 -5.587 14.470 -1.526 1.00 0.00 N ATOM 386 NH2 ARG A 51 -4.739 14.121 -3.626 1.00 0.00 N ATOM 0 H ARG A 51 -2.811 8.441 -1.073 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.116 10.590 0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.943 10.602 -1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.117 9.368 -1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.154 10.914 0.492 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.991 12.149 0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.011 10.898 -1.792 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.172 12.453 -1.001 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.591 11.828 -3.366 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.083 14.119 -0.707 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.269 15.439 -1.553 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.584 13.499 -4.420 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.416 15.088 -3.665 1.00 0.00 H new ATOM 400 N ALA A 52 -4.974 7.913 1.298 1.00 0.00 N ATOM 401 CA ALA A 52 -5.717 7.207 2.334 1.00 0.00 C ATOM 402 C ALA A 52 -4.800 6.787 3.477 1.00 0.00 C ATOM 403 O ALA A 52 -5.191 6.821 4.643 1.00 0.00 O ATOM 404 CB ALA A 52 -6.420 5.994 1.745 1.00 0.00 C ATOM 0 H ALA A 52 -4.902 7.409 0.414 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.467 7.887 2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.971 5.476 2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.113 6.317 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.681 5.318 1.314 1.00 0.00 H new ATOM 410 N MET A 53 -3.578 6.389 3.135 1.00 0.00 N ATOM 411 CA MET A 53 -2.623 5.912 4.130 1.00 0.00 C ATOM 412 C MET A 53 -2.178 7.049 5.044 1.00 0.00 C ATOM 413 O MET A 53 -1.824 6.825 6.201 1.00 0.00 O ATOM 414 CB MET A 53 -1.414 5.279 3.442 1.00 0.00 C ATOM 415 CG MET A 53 -0.443 4.587 4.389 1.00 0.00 C ATOM 416 SD MET A 53 -1.195 3.204 5.268 1.00 0.00 S ATOM 417 CE MET A 53 -1.352 2.008 3.947 1.00 0.00 C ATOM 0 H MET A 53 -3.226 6.387 2.178 1.00 0.00 H new ATOM 0 HA MET A 53 -3.115 5.156 4.742 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.767 4.554 2.709 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.878 6.053 2.892 1.00 0.00 H new ATOM 0 HG2 MET A 53 0.417 4.228 3.823 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.069 5.311 5.112 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.770 1.082 4.342 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.012 2.403 3.175 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.370 1.809 3.518 1.00 0.00 H new ATOM 427 N GLY A 54 -2.199 8.270 4.515 1.00 0.00 N ATOM 428 CA GLY A 54 -1.771 9.420 5.291 1.00 0.00 C ATOM 429 C GLY A 54 -0.266 9.605 5.272 1.00 0.00 C ATOM 430 O GLY A 54 0.322 10.054 6.256 1.00 0.00 O ATOM 0 H GLY A 54 -2.504 8.482 3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.249 10.317 4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.107 9.304 6.322 1.00 0.00 H new ATOM 434 N ILE A 55 0.357 9.258 4.151 1.00 0.00 N ATOM 435 CA ILE A 55 1.808 9.319 4.032 1.00 0.00 C ATOM 436 C ILE A 55 2.282 10.751 3.811 1.00 0.00 C ATOM 437 O ILE A 55 1.800 11.444 2.913 1.00 0.00 O ATOM 438 CB ILE A 55 2.320 8.433 2.882 1.00 0.00 C ATOM 439 CG1 ILE A 55 1.988 6.963 3.152 1.00 0.00 C ATOM 440 CG2 ILE A 55 3.818 8.618 2.694 1.00 0.00 C ATOM 441 CD1 ILE A 55 2.249 6.052 1.974 1.00 0.00 C ATOM 0 H ILE A 55 -0.121 8.931 3.311 1.00 0.00 H new ATOM 0 HA ILE A 55 2.216 8.946 4.971 1.00 0.00 H new ATOM 0 HB ILE A 55 1.819 8.735 1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.575 6.618 4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.939 6.883 3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.163 7.984 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.029 9.661 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.337 8.341 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.990 5.028 2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.642 6.370 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.304 6.101 1.703 1.00 0.00 H new ATOM 453 N THR A 56 3.230 11.189 4.633 1.00 0.00 N ATOM 454 CA THR A 56 3.697 12.569 4.593 1.00 0.00 C ATOM 455 C THR A 56 5.135 12.650 4.093 1.00 0.00 C ATOM 456 O THR A 56 5.884 11.671 4.123 1.00 0.00 O ATOM 457 CB THR A 56 3.607 13.235 5.978 1.00 0.00 C ATOM 458 OG1 THR A 56 4.532 12.605 6.875 1.00 0.00 O ATOM 459 CG2 THR A 56 2.199 13.113 6.539 1.00 0.00 C ATOM 0 H THR A 56 3.689 10.608 5.334 1.00 0.00 H new ATOM 0 HA THR A 56 3.045 13.102 3.901 1.00 0.00 H new ATOM 0 HB THR A 56 3.854 14.291 5.873 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.729 11.699 6.558 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.155 13.590 7.518 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.495 13.602 5.865 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.936 12.060 6.636 1.00 0.00 H new ATOM 467 N PRO A 57 5.534 13.840 3.623 1.00 0.00 N ATOM 468 CA PRO A 57 6.894 14.084 3.134 1.00 0.00 C ATOM 469 C PRO A 57 7.951 13.823 4.201 1.00 0.00 C ATOM 470 O PRO A 57 9.141 13.727 3.902 1.00 0.00 O ATOM 471 CB PRO A 57 6.873 15.552 2.699 1.00 0.00 C ATOM 472 CG PRO A 57 5.433 15.847 2.453 1.00 0.00 C ATOM 473 CD PRO A 57 4.680 15.025 3.466 1.00 0.00 C ATOM 0 HA PRO A 57 7.163 13.410 2.321 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.285 16.201 3.472 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.470 15.708 1.800 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.223 16.910 2.574 1.00 0.00 H new ATOM 0 HG3 PRO A 57 5.145 15.579 1.437 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.553 15.560 4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.683 14.761 3.113 1.00 0.00 H new ATOM 481 N HIS A 58 7.508 13.711 5.450 1.00 0.00 N ATOM 482 CA HIS A 58 8.411 13.426 6.559 1.00 0.00 C ATOM 483 C HIS A 58 8.742 11.938 6.623 1.00 0.00 C ATOM 484 O HIS A 58 9.874 11.555 6.912 1.00 0.00 O ATOM 485 CB HIS A 58 7.802 13.888 7.886 1.00 0.00 C ATOM 486 CG HIS A 58 7.599 15.369 7.972 1.00 0.00 C ATOM 487 ND1 HIS A 58 8.647 16.262 8.029 1.00 0.00 N ATOM 488 CD2 HIS A 58 6.468 16.111 8.010 1.00 0.00 C ATOM 489 CE1 HIS A 58 8.168 17.493 8.098 1.00 0.00 C ATOM 490 NE2 HIS A 58 6.850 17.428 8.088 1.00 0.00 N ATOM 0 H HIS A 58 6.529 13.813 5.719 1.00 0.00 H new ATOM 0 HA HIS A 58 9.335 13.978 6.388 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.843 13.390 8.028 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.450 13.571 8.703 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.455 15.738 7.984 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.756 18.397 8.153 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.217 18.227 8.131 1.00 0.00 H new ATOM 498 N ASN A 59 7.742 11.104 6.352 1.00 0.00 N ATOM 499 CA ASN A 59 7.936 9.657 6.340 1.00 0.00 C ATOM 500 C ASN A 59 7.702 9.089 4.944 1.00 0.00 C ATOM 501 O ASN A 59 7.500 7.886 4.780 1.00 0.00 O ATOM 502 CB ASN A 59 7.036 8.967 7.349 1.00 0.00 C ATOM 503 CG ASN A 59 5.569 9.140 7.068 1.00 0.00 C ATOM 504 OD1 ASN A 59 5.174 9.853 6.138 1.00 0.00 O ATOM 505 ND2 ASN A 59 4.760 8.557 7.914 1.00 0.00 N ATOM 0 H ASN A 59 6.791 11.404 6.138 1.00 0.00 H new ATOM 0 HA ASN A 59 8.970 9.464 6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.271 7.903 7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.255 9.356 8.343 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.752 8.681 7.823 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.137 7.978 8.664 1.00 0.00 H new ATOM 512 N TYR A 60 7.737 9.961 3.944 1.00 0.00 N ATOM 513 CA TYR A 60 7.561 9.541 2.558 1.00 0.00 C ATOM 514 C TYR A 60 8.704 8.632 2.116 1.00 0.00 C ATOM 515 O TYR A 60 8.477 7.566 1.543 1.00 0.00 O ATOM 516 CB TYR A 60 7.470 10.759 1.636 1.00 0.00 C ATOM 517 CG TYR A 60 7.309 10.411 0.174 1.00 0.00 C ATOM 518 CD1 TYR A 60 6.074 10.042 -0.341 1.00 0.00 C ATOM 519 CD2 TYR A 60 8.393 10.453 -0.690 1.00 0.00 C ATOM 520 CE1 TYR A 60 5.923 9.722 -1.676 1.00 0.00 C ATOM 521 CE2 TYR A 60 8.255 10.135 -2.028 1.00 0.00 C ATOM 522 CZ TYR A 60 7.018 9.771 -2.517 1.00 0.00 C ATOM 523 OH TYR A 60 6.872 9.454 -3.847 1.00 0.00 O ATOM 0 H TYR A 60 7.885 10.963 4.066 1.00 0.00 H new ATOM 0 HA TYR A 60 6.629 8.980 2.491 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.627 11.376 1.947 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.369 11.363 1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.216 10.004 0.314 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.363 10.739 -0.310 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.955 9.435 -2.060 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.110 10.171 -2.686 1.00 0.00 H new ATOM 0 HH TYR A 60 6.805 8.481 -3.946 1.00 0.00 H new ATOM 533 N TRP A 61 9.932 9.060 2.386 1.00 0.00 N ATOM 534 CA TRP A 61 11.108 8.264 2.060 1.00 0.00 C ATOM 535 C TRP A 61 11.098 6.942 2.821 1.00 0.00 C ATOM 536 O TRP A 61 11.632 5.940 2.345 1.00 0.00 O ATOM 537 CB TRP A 61 12.386 9.044 2.374 1.00 0.00 C ATOM 538 CG TRP A 61 12.606 9.268 3.839 1.00 0.00 C ATOM 539 CD1 TRP A 61 12.189 10.339 4.571 1.00 0.00 C ATOM 540 CD2 TRP A 61 13.293 8.402 4.751 1.00 0.00 C ATOM 541 NE1 TRP A 61 12.574 10.196 5.881 1.00 0.00 N ATOM 542 CE2 TRP A 61 13.254 9.011 6.016 1.00 0.00 C ATOM 543 CE3 TRP A 61 13.939 7.167 4.616 1.00 0.00 C ATOM 544 CZ2 TRP A 61 13.832 8.436 7.137 1.00 0.00 C ATOM 545 CZ3 TRP A 61 14.518 6.588 5.739 1.00 0.00 C ATOM 546 CH2 TRP A 61 14.466 7.205 6.963 1.00 0.00 C ATOM 0 H TRP A 61 10.139 9.955 2.830 1.00 0.00 H new ATOM 0 HA TRP A 61 11.083 8.046 0.992 1.00 0.00 H new ATOM 0 HB2 TRP A 61 13.241 8.505 1.965 1.00 0.00 H new ATOM 0 HB3 TRP A 61 12.346 10.009 1.869 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.636 11.179 4.178 1.00 0.00 H new ATOM 0 HE1 TRP A 61 12.386 10.861 6.631 1.00 0.00 H new ATOM 0 HE3 TRP A 61 13.986 6.673 3.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.793 8.919 8.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 15.018 5.635 5.646 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.927 6.726 7.814 1.00 0.00 H new ATOM 557 N GLN A 62 10.492 6.950 4.003 1.00 0.00 N ATOM 558 CA GLN A 62 10.336 5.730 4.788 1.00 0.00 C ATOM 559 C GLN A 62 9.370 4.765 4.106 1.00 0.00 C ATOM 560 O GLN A 62 9.634 3.566 4.023 1.00 0.00 O ATOM 561 CB GLN A 62 9.834 6.057 6.197 1.00 0.00 C ATOM 562 CG GLN A 62 10.857 6.758 7.074 1.00 0.00 C ATOM 563 CD GLN A 62 10.308 7.091 8.449 1.00 0.00 C ATOM 564 OE1 GLN A 62 9.143 6.821 8.750 1.00 0.00 O ATOM 565 NE2 GLN A 62 11.147 7.683 9.291 1.00 0.00 N ATOM 0 H GLN A 62 10.101 7.786 4.438 1.00 0.00 H new ATOM 0 HA GLN A 62 11.313 5.252 4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.947 6.686 6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.526 5.132 6.685 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.736 6.123 7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.184 7.675 6.584 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.103 7.888 8.999 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.836 7.933 10.230 1.00 0.00 H new ATOM 574 N TRP A 63 8.254 5.296 3.622 1.00 0.00 N ATOM 575 CA TRP A 63 7.285 4.495 2.883 1.00 0.00 C ATOM 576 C TRP A 63 7.814 4.146 1.496 1.00 0.00 C ATOM 577 O TRP A 63 7.415 3.141 0.906 1.00 0.00 O ATOM 578 CB TRP A 63 5.954 5.239 2.768 1.00 0.00 C ATOM 579 CG TRP A 63 5.047 5.030 3.942 1.00 0.00 C ATOM 580 CD1 TRP A 63 4.967 5.807 5.059 1.00 0.00 C ATOM 581 CD2 TRP A 63 4.093 3.975 4.117 1.00 0.00 C ATOM 582 NE1 TRP A 63 4.025 5.303 5.921 1.00 0.00 N ATOM 583 CE2 TRP A 63 3.471 4.177 5.363 1.00 0.00 C ATOM 584 CE3 TRP A 63 3.703 2.879 3.339 1.00 0.00 C ATOM 585 CZ2 TRP A 63 2.488 3.330 5.849 1.00 0.00 C ATOM 586 CZ3 TRP A 63 2.716 2.030 3.826 1.00 0.00 C ATOM 587 CH2 TRP A 63 2.126 2.250 5.045 1.00 0.00 C ATOM 0 H TRP A 63 7.997 6.277 3.728 1.00 0.00 H new ATOM 0 HA TRP A 63 7.123 3.568 3.432 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.152 6.305 2.657 1.00 0.00 H new ATOM 0 HB3 TRP A 63 5.443 4.914 1.862 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.559 6.692 5.240 1.00 0.00 H new ATOM 0 HE1 TRP A 63 3.777 5.700 6.827 1.00 0.00 H new ATOM 0 HE3 TRP A 63 4.160 2.696 2.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 2.023 3.499 6.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.408 1.181 3.234 1.00 0.00 H new ATOM 0 HH2 TRP A 63 1.362 1.569 5.390 1.00 0.00 H new ATOM 598 N ALA A 64 8.712 4.979 0.982 1.00 0.00 N ATOM 599 CA ALA A 64 9.379 4.697 -0.283 1.00 0.00 C ATOM 600 C ALA A 64 10.297 3.487 -0.160 1.00 0.00 C ATOM 601 O ALA A 64 10.381 2.665 -1.073 1.00 0.00 O ATOM 602 CB ALA A 64 10.166 5.914 -0.747 1.00 0.00 C ATOM 0 H ALA A 64 8.995 5.855 1.422 1.00 0.00 H new ATOM 0 HA ALA A 64 8.615 4.467 -1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.659 5.689 -1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.487 6.756 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.916 6.169 0.002 1.00 0.00 H new ATOM 608 N SER A 65 10.987 3.382 0.972 1.00 0.00 N ATOM 609 CA SER A 65 11.856 2.242 1.237 1.00 0.00 C ATOM 610 C SER A 65 11.047 1.047 1.728 1.00 0.00 C ATOM 611 O SER A 65 11.476 -0.101 1.604 1.00 0.00 O ATOM 612 CB SER A 65 12.919 2.618 2.250 1.00 0.00 C ATOM 613 OG SER A 65 12.370 2.894 3.510 1.00 0.00 O ATOM 0 H SER A 65 10.960 4.074 1.721 1.00 0.00 H new ATOM 0 HA SER A 65 12.346 1.958 0.306 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.639 1.805 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.466 3.491 1.894 1.00 0.00 H new ATOM 0 HG SER A 65 11.420 3.112 3.412 1.00 0.00 H new ATOM 619 N ARG A 66 9.875 1.322 2.288 1.00 0.00 N ATOM 620 CA ARG A 66 8.970 0.266 2.728 1.00 0.00 C ATOM 621 C ARG A 66 8.348 -0.449 1.532 1.00 0.00 C ATOM 622 O ARG A 66 8.307 -1.680 1.483 1.00 0.00 O ATOM 623 CB ARG A 66 7.907 0.781 3.687 1.00 0.00 C ATOM 624 CG ARG A 66 6.927 -0.271 4.180 1.00 0.00 C ATOM 625 CD ARG A 66 5.740 0.280 4.884 1.00 0.00 C ATOM 626 NE ARG A 66 6.041 0.951 6.139 1.00 0.00 N ATOM 627 CZ ARG A 66 6.254 0.322 7.310 1.00 0.00 C ATOM 628 NH1 ARG A 66 6.164 -0.986 7.404 1.00 0.00 N ATOM 629 NH2 ARG A 66 6.532 1.058 8.372 1.00 0.00 N ATOM 0 H ARG A 66 9.528 2.268 2.448 1.00 0.00 H new ATOM 0 HA ARG A 66 9.564 -0.460 3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.402 1.228 4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.347 1.575 3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.588 -0.862 3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.450 -0.951 4.852 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.235 0.984 4.222 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.040 -0.532 5.080 1.00 0.00 H new ATOM 0 HE ARG A 66 6.094 1.970 6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.929 -1.541 6.581 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.329 -1.445 8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.580 2.074 8.290 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.698 0.610 9.273 1.00 0.00 H new ATOM 643 N THR A 67 7.862 0.329 0.571 1.00 0.00 N ATOM 644 CA THR A 67 7.065 -0.214 -0.523 1.00 0.00 C ATOM 645 C THR A 67 7.925 -0.478 -1.752 1.00 0.00 C ATOM 646 O THR A 67 7.408 -0.740 -2.838 1.00 0.00 O ATOM 647 CB THR A 67 5.913 0.732 -0.907 1.00 0.00 C ATOM 648 OG1 THR A 67 6.448 2.002 -1.305 1.00 0.00 O ATOM 649 CG2 THR A 67 4.970 0.931 0.270 1.00 0.00 C ATOM 0 H THR A 67 8.006 1.338 0.527 1.00 0.00 H new ATOM 0 HA THR A 67 6.645 -1.155 -0.169 1.00 0.00 H new ATOM 0 HB THR A 67 5.358 0.287 -1.733 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.506 2.592 -0.524 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.162 1.603 -0.021 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.553 -0.031 0.569 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.519 1.364 1.107 1.00 0.00 H new ATOM 657 N ASN A 68 9.240 -0.409 -1.574 1.00 0.00 N ATOM 658 CA ASN A 68 10.173 -0.633 -2.674 1.00 0.00 C ATOM 659 C ASN A 68 9.821 0.244 -3.872 1.00 0.00 C ATOM 660 O ASN A 68 9.530 -0.259 -4.957 1.00 0.00 O ATOM 661 CB ASN A 68 10.212 -2.094 -3.083 1.00 0.00 C ATOM 662 CG ASN A 68 11.378 -2.443 -3.965 1.00 0.00 C ATOM 663 OD1 ASN A 68 12.414 -1.768 -3.957 1.00 0.00 O ATOM 664 ND2 ASN A 68 11.186 -3.447 -4.784 1.00 0.00 N ATOM 0 H ASN A 68 9.684 -0.200 -0.680 1.00 0.00 H new ATOM 0 HA ASN A 68 11.166 -0.357 -2.320 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.248 -2.712 -2.186 1.00 0.00 H new ATOM 0 HB3 ASN A 68 9.287 -2.341 -3.604 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.910 -3.703 -5.455 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.313 -3.973 -4.750 1.00 0.00 H new ATOM 671 N ASN A 69 9.847 1.557 -3.668 1.00 0.00 N ATOM 672 CA ASN A 69 9.496 2.501 -4.721 1.00 0.00 C ATOM 673 C ASN A 69 8.011 2.406 -5.064 1.00 0.00 C ATOM 674 O ASN A 69 7.618 2.559 -6.221 1.00 0.00 O ATOM 675 CB ASN A 69 10.338 2.288 -5.965 1.00 0.00 C ATOM 676 CG ASN A 69 10.407 3.491 -6.864 1.00 0.00 C ATOM 677 OD1 ASN A 69 10.287 4.635 -6.412 1.00 0.00 O ATOM 678 ND2 ASN A 69 10.518 3.235 -8.143 1.00 0.00 N ATOM 0 H ASN A 69 10.108 1.991 -2.782 1.00 0.00 H new ATOM 0 HA ASN A 69 9.704 3.502 -4.342 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.349 2.012 -5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.931 1.448 -6.528 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.508 3.999 -8.819 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.615 2.272 -8.464 1.00 0.00 H new ATOM 685 N PHE A 70 7.190 2.151 -4.050 1.00 0.00 N ATOM 686 CA PHE A 70 5.745 2.098 -4.230 1.00 0.00 C ATOM 687 C PHE A 70 5.374 1.167 -5.381 1.00 0.00 C ATOM 688 O PHE A 70 4.509 1.483 -6.198 1.00 0.00 O ATOM 689 CB PHE A 70 5.185 3.500 -4.483 1.00 0.00 C ATOM 690 CG PHE A 70 5.458 4.471 -3.370 1.00 0.00 C ATOM 691 CD1 PHE A 70 4.672 4.478 -2.228 1.00 0.00 C ATOM 692 CD2 PHE A 70 6.501 5.379 -3.464 1.00 0.00 C ATOM 693 CE1 PHE A 70 4.921 5.371 -1.204 1.00 0.00 C ATOM 694 CE2 PHE A 70 6.754 6.273 -2.440 1.00 0.00 C ATOM 695 CZ PHE A 70 5.963 6.269 -1.310 1.00 0.00 C ATOM 0 H PHE A 70 7.502 1.978 -3.094 1.00 0.00 H new ATOM 0 HA PHE A 70 5.305 1.704 -3.314 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.612 3.891 -5.407 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.108 3.429 -4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.855 3.777 -2.138 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.123 5.388 -4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.300 5.366 -0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.571 6.974 -2.525 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.159 6.967 -0.510 1.00 0.00 H new ATOM 705 N LYS A 71 6.037 0.016 -5.439 1.00 0.00 N ATOM 706 CA LYS A 71 5.706 -1.009 -6.423 1.00 0.00 C ATOM 707 C LYS A 71 4.530 -1.856 -5.949 1.00 0.00 C ATOM 708 O LYS A 71 4.612 -3.084 -5.916 1.00 0.00 O ATOM 709 CB LYS A 71 6.920 -1.898 -6.700 1.00 0.00 C ATOM 710 CG LYS A 71 8.060 -1.197 -7.427 1.00 0.00 C ATOM 711 CD LYS A 71 7.746 -1.015 -8.904 1.00 0.00 C ATOM 712 CE LYS A 71 6.950 0.258 -9.150 1.00 0.00 C ATOM 713 NZ LYS A 71 6.673 0.471 -10.596 1.00 0.00 N ATOM 0 H LYS A 71 6.806 -0.230 -4.816 1.00 0.00 H new ATOM 0 HA LYS A 71 5.419 -0.510 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.294 -2.287 -5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.600 -2.755 -7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.242 -0.225 -6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.976 -1.778 -7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.675 -0.981 -9.473 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.182 -1.874 -9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.008 0.208 -8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.501 1.112 -8.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.129 1.349 -10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.572 0.545 -11.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.125 -0.331 -10.966 1.00 0.00 H new ATOM 727 N LEU A 72 3.438 -1.194 -5.587 1.00 0.00 N ATOM 728 CA LEU A 72 2.235 -1.888 -5.139 1.00 0.00 C ATOM 729 C LEU A 72 1.497 -2.513 -6.319 1.00 0.00 C ATOM 730 O LEU A 72 1.389 -1.910 -7.387 1.00 0.00 O ATOM 731 CB LEU A 72 1.315 -0.923 -4.382 1.00 0.00 C ATOM 732 CG LEU A 72 1.895 -0.354 -3.079 1.00 0.00 C ATOM 733 CD1 LEU A 72 0.994 0.752 -2.548 1.00 0.00 C ATOM 734 CD2 LEU A 72 2.039 -1.471 -2.056 1.00 0.00 C ATOM 0 H LEU A 72 3.360 -0.177 -5.595 1.00 0.00 H new ATOM 0 HA LEU A 72 2.534 -2.689 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.064 -0.093 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.384 -1.440 -4.151 1.00 0.00 H new ATOM 0 HG LEU A 72 2.880 0.071 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.413 1.150 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.923 1.550 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.000 0.349 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.451 -1.067 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.061 -1.910 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.708 -2.238 -2.446 1.00 0.00 H new ATOM 746 N LEU A 73 0.989 -3.724 -6.118 1.00 0.00 N ATOM 747 CA LEU A 73 0.212 -4.409 -7.147 1.00 0.00 C ATOM 748 C LEU A 73 -0.990 -5.122 -6.536 1.00 0.00 C ATOM 749 O LEU A 73 -0.993 -5.453 -5.349 1.00 0.00 O ATOM 750 CB LEU A 73 1.092 -5.413 -7.893 1.00 0.00 C ATOM 751 CG LEU A 73 2.593 -5.127 -7.887 1.00 0.00 C ATOM 752 CD1 LEU A 73 3.259 -5.794 -6.695 1.00 0.00 C ATOM 753 CD2 LEU A 73 3.230 -5.593 -9.187 1.00 0.00 C ATOM 0 H LEU A 73 1.101 -4.252 -5.253 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.153 -3.662 -7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.929 -6.400 -7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.756 -5.460 -8.929 1.00 0.00 H new ATOM 0 HG LEU A 73 2.738 -4.050 -7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.328 -5.579 -6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.823 -5.410 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.105 -6.872 -6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.299 -5.381 -9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.075 -6.666 -9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.773 -5.067 -10.025 1.00 0.00 H new ATOM 765 N THR A 74 -2.010 -5.357 -7.355 1.00 0.00 N ATOM 766 CA THR A 74 -3.216 -6.038 -6.898 1.00 0.00 C ATOM 767 C THR A 74 -4.080 -6.475 -8.074 1.00 0.00 C ATOM 768 O THR A 74 -4.009 -5.895 -9.157 1.00 0.00 O ATOM 769 CB THR A 74 -4.051 -5.142 -5.965 1.00 0.00 C ATOM 770 OG1 THR A 74 -5.168 -5.885 -5.459 1.00 0.00 O ATOM 771 CG2 THR A 74 -4.557 -3.918 -6.713 1.00 0.00 C ATOM 0 H THR A 74 -2.026 -5.086 -8.338 1.00 0.00 H new ATOM 0 HA THR A 74 -2.890 -6.918 -6.344 1.00 0.00 H new ATOM 0 HB THR A 74 -3.420 -4.814 -5.139 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.526 -5.437 -4.665 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.145 -3.296 -6.038 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.709 -3.345 -7.088 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.180 -4.235 -7.550 1.00 0.00 H new ATOM 779 N ASP A 75 -4.896 -7.499 -7.854 1.00 0.00 N ATOM 780 CA ASP A 75 -5.862 -7.937 -8.855 1.00 0.00 C ATOM 781 C ASP A 75 -7.139 -8.444 -8.192 1.00 0.00 C ATOM 782 O ASP A 75 -7.253 -9.623 -7.860 1.00 0.00 O ATOM 783 CB ASP A 75 -5.258 -9.028 -9.743 1.00 0.00 C ATOM 784 CG ASP A 75 -6.152 -9.467 -10.894 1.00 0.00 C ATOM 785 OD1 ASP A 75 -7.269 -9.010 -10.962 1.00 0.00 O ATOM 786 OD2 ASP A 75 -5.665 -10.130 -11.780 1.00 0.00 O ATOM 0 H ASP A 75 -4.908 -8.042 -6.991 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.115 -7.079 -9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.313 -8.667 -10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.028 -9.896 -9.126 1.00 0.00 H new ATOM 791 N GLY A 76 -8.099 -7.543 -8.004 1.00 0.00 N ATOM 792 CA GLY A 76 -9.334 -7.906 -7.336 1.00 0.00 C ATOM 793 C GLY A 76 -9.113 -8.323 -5.894 1.00 0.00 C ATOM 794 O GLY A 76 -9.931 -9.039 -5.317 1.00 0.00 O ATOM 0 H GLY A 76 -8.043 -6.569 -8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.021 -7.061 -7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.810 -8.723 -7.878 1.00 0.00 H new ATOM 798 N GLU A 77 -8.006 -7.874 -5.313 1.00 0.00 N ATOM 799 CA GLU A 77 -7.596 -8.335 -3.992 1.00 0.00 C ATOM 800 C GLU A 77 -7.019 -7.186 -3.169 1.00 0.00 C ATOM 801 O GLU A 77 -6.995 -6.040 -3.617 1.00 0.00 O ATOM 802 CB GLU A 77 -6.572 -9.467 -4.109 1.00 0.00 C ATOM 803 CG GLU A 77 -7.110 -10.735 -4.754 1.00 0.00 C ATOM 804 CD GLU A 77 -6.045 -11.792 -4.852 1.00 0.00 C ATOM 805 OE1 GLU A 77 -4.962 -11.563 -4.370 1.00 0.00 O ATOM 806 OE2 GLU A 77 -6.346 -12.870 -5.307 1.00 0.00 O ATOM 0 H GLU A 77 -7.377 -7.192 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.480 -8.715 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.720 -9.112 -4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.201 -9.709 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.949 -11.114 -4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.491 -10.506 -5.749 1.00 0.00 H new ATOM 813 N TRP A 78 -6.556 -7.502 -1.964 1.00 0.00 N ATOM 814 CA TRP A 78 -5.729 -6.578 -1.198 1.00 0.00 C ATOM 815 C TRP A 78 -4.462 -6.216 -1.966 1.00 0.00 C ATOM 816 O TRP A 78 -3.986 -6.989 -2.799 1.00 0.00 O ATOM 817 CB TRP A 78 -5.361 -7.193 0.153 1.00 0.00 C ATOM 818 CG TRP A 78 -4.302 -8.248 0.059 1.00 0.00 C ATOM 819 CD1 TRP A 78 -3.981 -8.990 -1.041 1.00 0.00 C ATOM 820 CD2 TRP A 78 -3.425 -8.679 1.106 1.00 0.00 C ATOM 821 NE1 TRP A 78 -2.956 -9.857 -0.741 1.00 0.00 N ATOM 822 CE2 TRP A 78 -2.597 -9.684 0.568 1.00 0.00 C ATOM 823 CE3 TRP A 78 -3.257 -8.310 2.443 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -1.619 -10.326 1.325 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -2.286 -8.949 3.192 1.00 0.00 C ATOM 826 CH2 TRP A 78 -1.477 -9.947 2.632 1.00 0.00 C ATOM 0 H TRP A 78 -6.740 -8.390 -1.498 1.00 0.00 H new ATOM 0 HA TRP A 78 -6.304 -5.667 -1.032 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.018 -6.403 0.822 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.255 -7.625 0.602 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -4.461 -8.908 -2.005 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -2.532 -10.521 -1.389 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.874 -7.540 2.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.995 -11.096 0.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -2.149 -8.674 4.227 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.727 -10.426 3.244 1.00 0.00 H new ATOM 837 N VAL A 79 -3.921 -5.037 -1.683 1.00 0.00 N ATOM 838 CA VAL A 79 -2.687 -4.590 -2.319 1.00 0.00 C ATOM 839 C VAL A 79 -1.463 -5.084 -1.557 1.00 0.00 C ATOM 840 O VAL A 79 -1.442 -5.079 -0.327 1.00 0.00 O ATOM 841 CB VAL A 79 -2.629 -3.054 -2.424 1.00 0.00 C ATOM 842 CG1 VAL A 79 -1.298 -2.609 -3.009 1.00 0.00 C ATOM 843 CG2 VAL A 79 -3.782 -2.533 -3.268 1.00 0.00 C ATOM 0 H VAL A 79 -4.317 -4.373 -1.017 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.681 -5.014 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.721 -2.638 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.275 -1.521 -3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.486 -2.950 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.177 -3.036 -4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.725 -1.446 -3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.721 -2.958 -4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.728 -2.820 -2.809 1.00 0.00 H new ATOM 853 N TRP A 80 -0.446 -5.510 -2.297 1.00 0.00 N ATOM 854 CA TRP A 80 0.804 -5.957 -1.692 1.00 0.00 C ATOM 855 C TRP A 80 2.005 -5.377 -2.429 1.00 0.00 C ATOM 856 O TRP A 80 1.907 -5.009 -3.601 1.00 0.00 O ATOM 857 CB TRP A 80 0.877 -7.485 -1.683 1.00 0.00 C ATOM 858 CG TRP A 80 0.959 -8.088 -3.053 1.00 0.00 C ATOM 859 CD1 TRP A 80 2.094 -8.397 -3.741 1.00 0.00 C ATOM 860 CD2 TRP A 80 -0.138 -8.454 -3.898 1.00 0.00 C ATOM 861 NE1 TRP A 80 1.772 -8.933 -4.964 1.00 0.00 N ATOM 862 CE2 TRP A 80 0.407 -8.979 -5.085 1.00 0.00 C ATOM 863 CE3 TRP A 80 -1.531 -8.389 -3.767 1.00 0.00 C ATOM 864 CZ2 TRP A 80 -0.384 -9.433 -6.128 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -2.323 -8.845 -4.813 1.00 0.00 C ATOM 866 CH2 TRP A 80 -1.767 -9.352 -5.960 1.00 0.00 C ATOM 0 H TRP A 80 -0.462 -5.555 -3.316 1.00 0.00 H new ATOM 0 HA TRP A 80 0.828 -5.598 -0.663 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.747 -7.796 -1.105 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.002 -7.880 -1.173 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.099 -8.243 -3.378 1.00 0.00 H new ATOM 0 HE1 TRP A 80 2.440 -9.246 -5.668 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.981 -7.992 -2.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.051 -9.832 -7.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -3.398 -8.799 -4.721 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.415 -9.697 -6.752 1.00 0.00 H new ATOM 877 N VAL A 81 3.138 -5.300 -1.739 1.00 0.00 N ATOM 878 CA VAL A 81 4.350 -4.733 -2.321 1.00 0.00 C ATOM 879 C VAL A 81 5.079 -5.762 -3.179 1.00 0.00 C ATOM 880 O VAL A 81 5.314 -6.890 -2.747 1.00 0.00 O ATOM 881 CB VAL A 81 5.308 -4.212 -1.233 1.00 0.00 C ATOM 882 CG1 VAL A 81 6.592 -3.691 -1.862 1.00 0.00 C ATOM 883 CG2 VAL A 81 4.639 -3.122 -0.411 1.00 0.00 C ATOM 0 H VAL A 81 3.243 -5.623 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 81 4.039 -3.897 -2.947 1.00 0.00 H new ATOM 0 HB VAL A 81 5.558 -5.039 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.258 -3.326 -1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.082 -4.496 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.357 -2.877 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.331 -2.766 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.360 -2.294 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.746 -3.524 0.067 1.00 0.00 H new ATOM 893 N GLU A 82 5.434 -5.363 -4.397 1.00 0.00 N ATOM 894 CA GLU A 82 6.273 -6.190 -5.255 1.00 0.00 C ATOM 895 C GLU A 82 7.473 -6.734 -4.485 1.00 0.00 C ATOM 896 O GLU A 82 8.186 -5.986 -3.819 1.00 0.00 O ATOM 897 CB GLU A 82 6.744 -5.394 -6.475 1.00 0.00 C ATOM 898 CG GLU A 82 7.597 -6.188 -7.453 1.00 0.00 C ATOM 899 CD GLU A 82 8.004 -5.347 -8.631 1.00 0.00 C ATOM 900 OE1 GLU A 82 7.579 -4.219 -8.707 1.00 0.00 O ATOM 901 OE2 GLU A 82 8.829 -5.790 -9.395 1.00 0.00 O ATOM 0 H GLU A 82 5.154 -4.474 -4.810 1.00 0.00 H new ATOM 0 HA GLU A 82 5.674 -7.034 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.871 -5.010 -7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.314 -4.531 -6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.486 -6.560 -6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.041 -7.059 -7.800 1.00 0.00 H new ATOM 908 N GLY A 83 7.685 -8.043 -4.580 1.00 0.00 N ATOM 909 CA GLY A 83 8.846 -8.653 -3.957 1.00 0.00 C ATOM 910 C GLY A 83 8.524 -9.267 -2.610 1.00 0.00 C ATOM 911 O GLY A 83 9.267 -10.111 -2.110 1.00 0.00 O ATOM 0 H GLY A 83 7.074 -8.692 -5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.247 -9.422 -4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.625 -7.901 -3.833 1.00 0.00 H new ATOM 915 N TYR A 84 7.412 -8.842 -2.017 1.00 0.00 N ATOM 916 CA TYR A 84 6.970 -9.386 -0.740 1.00 0.00 C ATOM 917 C TYR A 84 5.732 -10.260 -0.919 1.00 0.00 C ATOM 918 O TYR A 84 4.851 -10.289 -0.062 1.00 0.00 O ATOM 919 CB TYR A 84 6.679 -8.258 0.252 1.00 0.00 C ATOM 920 CG TYR A 84 7.894 -7.431 0.612 1.00 0.00 C ATOM 921 CD1 TYR A 84 8.828 -7.898 1.524 1.00 0.00 C ATOM 922 CD2 TYR A 84 8.100 -6.184 0.040 1.00 0.00 C ATOM 923 CE1 TYR A 84 9.938 -7.146 1.857 1.00 0.00 C ATOM 924 CE2 TYR A 84 9.208 -5.424 0.365 1.00 0.00 C ATOM 925 CZ TYR A 84 10.124 -5.909 1.276 1.00 0.00 C ATOM 926 OH TYR A 84 11.228 -5.156 1.604 1.00 0.00 O ATOM 0 H TYR A 84 6.801 -8.122 -2.402 1.00 0.00 H new ATOM 0 HA TYR A 84 7.774 -10.005 -0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 84 5.918 -7.603 -0.171 1.00 0.00 H new ATOM 0 HB3 TYR A 84 6.260 -8.687 1.163 1.00 0.00 H new ATOM 0 HD1 TYR A 84 8.685 -8.866 1.982 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.383 -5.801 -0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.657 -7.525 2.569 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.356 -4.456 -0.091 1.00 0.00 H new ATOM 0 HH TYR A 84 11.208 -4.312 1.106 1.00 0.00 H new ATOM 936 N GLU A 85 5.676 -10.972 -2.040 1.00 0.00 N ATOM 937 CA GLU A 85 4.798 -12.130 -2.165 1.00 0.00 C ATOM 938 C GLU A 85 5.162 -13.202 -1.142 1.00 0.00 C ATOM 939 O GLU A 85 4.371 -14.102 -0.865 1.00 0.00 O ATOM 940 CB GLU A 85 4.868 -12.706 -3.582 1.00 0.00 C ATOM 941 CG GLU A 85 4.219 -11.835 -4.648 1.00 0.00 C ATOM 942 CD GLU A 85 4.400 -12.423 -6.019 1.00 0.00 C ATOM 943 OE1 GLU A 85 5.074 -13.418 -6.134 1.00 0.00 O ATOM 944 OE2 GLU A 85 3.774 -11.945 -6.936 1.00 0.00 O ATOM 0 H GLU A 85 6.227 -10.768 -2.874 1.00 0.00 H new ATOM 0 HA GLU A 85 3.777 -11.802 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.914 -12.863 -3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.387 -13.684 -3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.156 -11.727 -4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.654 -10.836 -4.618 1.00 0.00 H new ATOM 951 N GLU A 86 6.365 -13.096 -0.585 1.00 0.00 N ATOM 952 CA GLU A 86 6.732 -13.874 0.591 1.00 0.00 C ATOM 953 C GLU A 86 5.815 -13.549 1.766 1.00 0.00 C ATOM 954 O GLU A 86 5.732 -14.307 2.733 1.00 0.00 O ATOM 955 CB GLU A 86 8.191 -13.617 0.973 1.00 0.00 C ATOM 956 CG GLU A 86 8.680 -14.422 2.168 1.00 0.00 C ATOM 957 CD GLU A 86 10.148 -14.201 2.411 1.00 0.00 C ATOM 958 OE1 GLU A 86 10.549 -13.066 2.514 1.00 0.00 O ATOM 959 OE2 GLU A 86 10.849 -15.166 2.608 1.00 0.00 O ATOM 0 H GLU A 86 7.101 -12.479 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 86 6.616 -14.930 0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.824 -13.843 0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.315 -12.556 1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.115 -14.138 3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.493 -15.482 1.996 1.00 0.00 H new ATOM 966 N HIS A 87 5.127 -12.414 1.676 1.00 0.00 N ATOM 967 CA HIS A 87 4.335 -11.910 2.793 1.00 0.00 C ATOM 968 C HIS A 87 2.850 -11.901 2.444 1.00 0.00 C ATOM 969 O HIS A 87 2.132 -10.953 2.762 1.00 0.00 O ATOM 970 CB HIS A 87 4.791 -10.502 3.190 1.00 0.00 C ATOM 971 CG HIS A 87 6.180 -10.453 3.745 1.00 0.00 C ATOM 972 ND1 HIS A 87 6.835 -9.268 4.007 1.00 0.00 N ATOM 973 CD2 HIS A 87 7.040 -11.442 4.085 1.00 0.00 C ATOM 974 CE1 HIS A 87 8.038 -9.532 4.487 1.00 0.00 C ATOM 975 NE2 HIS A 87 8.187 -10.842 4.543 1.00 0.00 N ATOM 0 H HIS A 87 5.102 -11.827 0.842 1.00 0.00 H new ATOM 0 HA HIS A 87 4.488 -12.578 3.641 1.00 0.00 H new ATOM 0 HB2 HIS A 87 4.735 -9.852 2.317 1.00 0.00 H new ATOM 0 HB3 HIS A 87 4.099 -10.101 3.931 1.00 0.00 H new ATOM 0 HD2 HIS A 87 6.858 -12.504 4.010 1.00 0.00 H new ATOM 0 HE1 HIS A 87 8.774 -8.800 4.783 1.00 0.00 H new ATOM 0 HE2 HIS A 87 9.020 -11.330 4.873 1.00 0.00 H new ATOM 983 N ILE A 88 2.395 -12.963 1.787 1.00 0.00 N ATOM 984 CA ILE A 88 0.983 -13.110 1.455 1.00 0.00 C ATOM 985 C ILE A 88 0.356 -14.265 2.230 1.00 0.00 C ATOM 986 O ILE A 88 0.744 -15.420 2.066 1.00 0.00 O ATOM 987 CB ILE A 88 0.778 -13.342 -0.053 1.00 0.00 C ATOM 988 CG1 ILE A 88 1.285 -12.139 -0.852 1.00 0.00 C ATOM 989 CG2 ILE A 88 -0.690 -13.603 -0.355 1.00 0.00 C ATOM 990 CD1 ILE A 88 1.291 -12.358 -2.347 1.00 0.00 C ATOM 0 H ILE A 88 2.984 -13.735 1.474 1.00 0.00 H new ATOM 0 HA ILE A 88 0.493 -12.178 1.737 1.00 0.00 H new ATOM 0 HB ILE A 88 1.352 -14.220 -0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.662 -11.274 -0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.297 -11.898 -0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.818 -13.765 -1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.021 -14.488 0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.284 -12.743 -0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.663 -11.462 -2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.937 -13.202 -2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.277 -12.568 -2.688 1.00 0.00 H new ATOM 1002 N GLY A 89 -0.622 -13.943 3.074 1.00 0.00 N ATOM 1003 CA GLY A 89 -1.230 -14.949 3.921 1.00 0.00 C ATOM 1004 C GLY A 89 -0.470 -15.151 5.219 1.00 0.00 C ATOM 1005 O GLY A 89 -0.634 -16.169 5.892 1.00 0.00 O ATOM 0 H GLY A 89 -1.002 -13.003 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.256 -14.658 4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.278 -15.894 3.380 1.00 0.00 H new ATOM 1009 N LYS A 90 0.364 -14.178 5.572 1.00 0.00 N ATOM 1010 CA LYS A 90 1.150 -14.250 6.798 1.00 0.00 C ATOM 1011 C LYS A 90 0.617 -13.278 7.845 1.00 0.00 C ATOM 1012 O LYS A 90 0.234 -12.153 7.521 1.00 0.00 O ATOM 1013 CB LYS A 90 2.624 -13.959 6.508 1.00 0.00 C ATOM 1014 CG LYS A 90 3.382 -15.121 5.880 1.00 0.00 C ATOM 1015 CD LYS A 90 3.219 -15.132 4.366 1.00 0.00 C ATOM 1016 CE LYS A 90 3.639 -16.469 3.774 1.00 0.00 C ATOM 1017 NZ LYS A 90 3.481 -16.497 2.295 1.00 0.00 N ATOM 0 H LYS A 90 0.513 -13.330 5.026 1.00 0.00 H new ATOM 0 HA LYS A 90 1.064 -15.262 7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.688 -13.098 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.117 -13.680 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.440 -15.048 6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.019 -16.062 6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.180 -14.928 4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.818 -14.334 3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.679 -16.669 4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.042 -17.266 4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.580 -17.474 1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.540 -16.135 2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.212 -15.901 1.856 1.00 0.00 H new ATOM 1031 N GLN A 91 0.597 -13.716 9.098 1.00 0.00 N ATOM 1032 CA GLN A 91 0.160 -12.865 10.199 1.00 0.00 C ATOM 1033 C GLN A 91 1.310 -12.004 10.710 1.00 0.00 C ATOM 1034 O GLN A 91 1.997 -12.368 11.665 1.00 0.00 O ATOM 1035 CB GLN A 91 -0.401 -13.713 11.344 1.00 0.00 C ATOM 1036 CG GLN A 91 -1.108 -12.911 12.422 1.00 0.00 C ATOM 1037 CD GLN A 91 -1.656 -13.790 13.531 1.00 0.00 C ATOM 1038 OE1 GLN A 91 -1.553 -15.018 13.477 1.00 0.00 O ATOM 1039 NE2 GLN A 91 -2.248 -13.165 14.543 1.00 0.00 N ATOM 0 H GLN A 91 0.878 -14.656 9.378 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.626 -12.210 9.824 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -1.099 -14.443 10.933 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.415 -14.274 11.800 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.413 -12.186 12.846 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.925 -12.345 11.973 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.311 -12.147 14.547 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.639 -13.703 15.316 1.00 0.00 H new ATOM 1048 N LEU A 92 1.516 -10.860 10.066 1.00 0.00 N ATOM 1049 CA LEU A 92 2.620 -9.973 10.416 1.00 0.00 C ATOM 1050 C LEU A 92 2.104 -8.628 10.914 1.00 0.00 C ATOM 1051 O LEU A 92 1.020 -8.175 10.543 1.00 0.00 O ATOM 1052 CB LEU A 92 3.548 -9.777 9.211 1.00 0.00 C ATOM 1053 CG LEU A 92 4.164 -11.063 8.645 1.00 0.00 C ATOM 1054 CD1 LEU A 92 4.955 -10.751 7.382 1.00 0.00 C ATOM 1055 CD2 LEU A 92 5.059 -11.703 9.696 1.00 0.00 C ATOM 0 H LEU A 92 0.933 -10.525 9.299 1.00 0.00 H new ATOM 0 HA LEU A 92 3.186 -10.438 11.223 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.988 -9.282 8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.355 -9.103 9.500 1.00 0.00 H new ATOM 0 HG LEU A 92 3.370 -11.763 8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.388 -11.670 6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.292 -10.313 6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.752 -10.046 7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.497 -12.617 9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.854 -11.009 9.968 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.468 -11.942 10.580 1.00 0.00 H new ATOM 1067 N PRO A 93 2.895 -7.970 11.775 1.00 0.00 N ATOM 1068 CA PRO A 93 2.542 -6.662 12.335 1.00 0.00 C ATOM 1069 C PRO A 93 2.626 -5.546 11.300 1.00 0.00 C ATOM 1070 O PRO A 93 3.257 -5.702 10.253 1.00 0.00 O ATOM 1071 CB PRO A 93 3.552 -6.462 13.470 1.00 0.00 C ATOM 1072 CG PRO A 93 4.738 -7.264 13.057 1.00 0.00 C ATOM 1073 CD PRO A 93 4.179 -8.471 12.352 1.00 0.00 C ATOM 0 HA PRO A 93 1.509 -6.630 12.681 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.808 -5.410 13.593 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.152 -6.807 14.423 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.390 -6.691 12.398 1.00 0.00 H new ATOM 0 HG3 PRO A 93 5.335 -7.555 13.921 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.854 -8.832 11.576 1.00 0.00 H new ATOM 0 HD3 PRO A 93 4.014 -9.299 13.042 1.00 0.00 H new ATOM 1081 N LEU A 94 1.987 -4.421 11.597 1.00 0.00 N ATOM 1082 CA LEU A 94 1.946 -3.295 10.671 1.00 0.00 C ATOM 1083 C LEU A 94 3.356 -2.817 10.332 1.00 0.00 C ATOM 1084 O LEU A 94 3.602 -2.303 9.242 1.00 0.00 O ATOM 1085 CB LEU A 94 1.120 -2.147 11.263 1.00 0.00 C ATOM 1086 CG LEU A 94 -0.385 -2.424 11.388 1.00 0.00 C ATOM 1087 CD1 LEU A 94 -1.065 -1.285 12.135 1.00 0.00 C ATOM 1088 CD2 LEU A 94 -0.988 -2.594 10.001 1.00 0.00 C ATOM 0 H LEU A 94 1.489 -4.264 12.473 1.00 0.00 H new ATOM 0 HA LEU A 94 1.470 -3.629 9.749 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.513 -1.909 12.251 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.260 -1.262 10.643 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.540 -3.343 11.953 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.132 -1.491 12.219 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.634 -1.195 13.132 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.917 -0.353 11.590 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.056 -2.791 10.090 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.834 -1.683 9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.506 -3.431 9.495 1.00 0.00 H new ATOM 1100 N ASN A 95 4.275 -2.990 11.275 1.00 0.00 N ATOM 1101 CA ASN A 95 5.673 -2.636 11.054 1.00 0.00 C ATOM 1102 C ASN A 95 6.324 -3.584 10.051 1.00 0.00 C ATOM 1103 O ASN A 95 7.123 -3.165 9.215 1.00 0.00 O ATOM 1104 CB ASN A 95 6.456 -2.625 12.353 1.00 0.00 C ATOM 1105 CG ASN A 95 6.131 -1.460 13.246 1.00 0.00 C ATOM 1106 OD1 ASN A 95 5.616 -0.430 12.795 1.00 0.00 O ATOM 1107 ND2 ASN A 95 6.505 -1.584 14.495 1.00 0.00 N ATOM 0 H ASN A 95 4.078 -3.373 12.200 1.00 0.00 H new ATOM 0 HA ASN A 95 5.691 -1.627 10.641 1.00 0.00 H new ATOM 0 HB2 ASN A 95 6.259 -3.551 12.893 1.00 0.00 H new ATOM 0 HB3 ASN A 95 7.522 -2.610 12.124 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.376 -0.809 15.145 1.00 0.00 H new ATOM 0 HD22 ASN A 95 6.925 -2.456 14.817 1.00 0.00 H new ATOM 1114 N GLN A 96 5.972 -4.863 10.140 1.00 0.00 N ATOM 1115 CA GLN A 96 6.539 -5.873 9.254 1.00 0.00 C ATOM 1116 C GLN A 96 5.564 -6.223 8.134 1.00 0.00 C ATOM 1117 O GLN A 96 5.797 -7.157 7.366 1.00 0.00 O ATOM 1118 CB GLN A 96 6.901 -7.135 10.042 1.00 0.00 C ATOM 1119 CG GLN A 96 7.898 -6.905 11.165 1.00 0.00 C ATOM 1120 CD GLN A 96 9.233 -6.399 10.655 1.00 0.00 C ATOM 1121 OE1 GLN A 96 9.792 -6.936 9.695 1.00 0.00 O ATOM 1122 NE2 GLN A 96 9.756 -5.361 11.300 1.00 0.00 N ATOM 0 H GLN A 96 5.298 -5.224 10.815 1.00 0.00 H new ATOM 0 HA GLN A 96 7.445 -5.460 8.810 1.00 0.00 H new ATOM 0 HB2 GLN A 96 5.990 -7.561 10.462 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.311 -7.874 9.354 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.485 -6.185 11.872 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.049 -7.837 11.710 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.259 -4.948 12.089 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.654 -4.978 11.006 1.00 0.00 H new ATOM 1131 N ALA A 97 4.474 -5.469 8.047 1.00 0.00 N ATOM 1132 CA ALA A 97 3.473 -5.690 7.011 1.00 0.00 C ATOM 1133 C ALA A 97 3.884 -5.031 5.701 1.00 0.00 C ATOM 1134 O ALA A 97 4.445 -3.935 5.695 1.00 0.00 O ATOM 1135 CB ALA A 97 2.118 -5.165 7.467 1.00 0.00 C ATOM 0 H ALA A 97 4.261 -4.699 8.682 1.00 0.00 H new ATOM 0 HA ALA A 97 3.396 -6.763 6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.379 -5.336 6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.813 -5.686 8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.191 -4.096 7.669 1.00 0.00 H new ATOM 1141 N ARG A 98 3.602 -5.705 4.591 1.00 0.00 N ATOM 1142 CA ARG A 98 3.861 -5.145 3.270 1.00 0.00 C ATOM 1143 C ARG A 98 2.660 -5.347 2.349 1.00 0.00 C ATOM 1144 O ARG A 98 2.815 -5.571 1.150 1.00 0.00 O ATOM 1145 CB ARG A 98 5.138 -5.696 2.653 1.00 0.00 C ATOM 1146 CG ARG A 98 6.393 -5.487 3.487 1.00 0.00 C ATOM 1147 CD ARG A 98 6.846 -4.074 3.567 1.00 0.00 C ATOM 1148 NE ARG A 98 8.127 -3.890 4.230 1.00 0.00 N ATOM 1149 CZ ARG A 98 8.286 -3.738 5.559 1.00 0.00 C ATOM 1150 NH1 ARG A 98 7.248 -3.710 6.367 1.00 0.00 N ATOM 1151 NH2 ARG A 98 9.514 -3.594 6.029 1.00 0.00 N ATOM 0 H ARG A 98 3.194 -6.640 4.580 1.00 0.00 H new ATOM 0 HA ARG A 98 4.013 -4.073 3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.009 -6.764 2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.285 -5.229 1.679 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.210 -5.855 4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.198 -6.091 3.069 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.912 -3.669 2.557 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.090 -3.492 4.095 1.00 0.00 H new ATOM 0 HE ARG A 98 8.964 -3.875 3.648 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.305 -3.804 5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.386 -3.594 7.371 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.309 -3.600 5.390 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.666 -3.477 7.031 1.00 0.00 H new ATOM 1165 N ALA A 99 1.463 -5.260 2.920 1.00 0.00 N ATOM 1166 CA ALA A 99 0.237 -5.455 2.156 1.00 0.00 C ATOM 1167 C ALA A 99 -0.977 -4.950 2.928 1.00 0.00 C ATOM 1168 O ALA A 99 -1.048 -5.086 4.149 1.00 0.00 O ATOM 1169 CB ALA A 99 0.064 -6.924 1.801 1.00 0.00 C ATOM 0 H ALA A 99 1.316 -5.056 3.909 1.00 0.00 H new ATOM 0 HA ALA A 99 0.317 -4.877 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.856 -7.055 1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.912 -7.256 1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.011 -7.515 2.715 1.00 0.00 H new ATOM 1175 N TRP A 100 -1.927 -4.364 2.210 1.00 0.00 N ATOM 1176 CA TRP A 100 -3.127 -3.815 2.831 1.00 0.00 C ATOM 1177 C TRP A 100 -4.354 -4.061 1.960 1.00 0.00 C ATOM 1178 O TRP A 100 -4.250 -4.152 0.737 1.00 0.00 O ATOM 1179 CB TRP A 100 -2.957 -2.316 3.089 1.00 0.00 C ATOM 1180 CG TRP A 100 -1.770 -1.987 3.944 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -1.774 -1.749 5.285 1.00 0.00 C ATOM 1182 CD2 TRP A 100 -0.410 -1.861 3.516 1.00 0.00 C ATOM 1183 NE1 TRP A 100 -0.500 -1.481 5.722 1.00 0.00 N ATOM 1184 CE2 TRP A 100 0.358 -1.545 4.651 1.00 0.00 C ATOM 1185 CE3 TRP A 100 0.236 -1.985 2.279 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 1.728 -1.351 4.593 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 1.611 -1.793 2.221 1.00 0.00 C ATOM 1188 CH2 TRP A 100 2.335 -1.485 3.343 1.00 0.00 C ATOM 0 H TRP A 100 -1.890 -4.256 1.196 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.276 -4.323 3.784 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -2.861 -1.800 2.134 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.858 -1.934 3.569 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -2.652 -1.768 5.914 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -0.234 -1.269 6.684 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.324 -2.225 1.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 2.301 -1.107 5.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.119 -1.888 1.273 1.00 0.00 H new ATOM 0 HH2 TRP A 100 3.402 -1.342 3.258 1.00 0.00 H new ATOM 1199 N SER A 101 -5.516 -4.167 2.596 1.00 0.00 N ATOM 1200 CA SER A 101 -6.751 -4.476 1.886 1.00 0.00 C ATOM 1201 C SER A 101 -7.373 -3.211 1.303 1.00 0.00 C ATOM 1202 O SER A 101 -7.195 -2.116 1.836 1.00 0.00 O ATOM 1203 CB SER A 101 -7.729 -5.169 2.815 1.00 0.00 C ATOM 1204 OG SER A 101 -8.167 -4.325 3.845 1.00 0.00 O ATOM 0 H SER A 101 -5.628 -4.043 3.602 1.00 0.00 H new ATOM 0 HA SER A 101 -6.515 -5.148 1.061 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.588 -5.517 2.242 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.256 -6.051 3.246 1.00 0.00 H new ATOM 0 HG SER A 101 -8.796 -4.809 4.419 1.00 0.00 H new ATOM 1210 N TRP A 102 -8.103 -3.372 0.205 1.00 0.00 N ATOM 1211 CA TRP A 102 -8.922 -2.290 -0.333 1.00 0.00 C ATOM 1212 C TRP A 102 -9.944 -1.818 0.694 1.00 0.00 C ATOM 1213 O TRP A 102 -10.331 -0.650 0.707 1.00 0.00 O ATOM 1214 CB TRP A 102 -9.629 -2.740 -1.612 1.00 0.00 C ATOM 1215 CG TRP A 102 -8.817 -2.520 -2.854 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -8.376 -3.476 -3.718 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -8.354 -1.266 -3.369 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -7.664 -2.898 -4.740 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -7.638 -1.539 -4.548 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -8.477 0.063 -2.946 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -7.047 -0.542 -5.306 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -7.886 1.064 -3.707 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -7.191 0.771 -4.854 1.00 0.00 C ATOM 0 H TRP A 102 -8.145 -4.240 -0.330 1.00 0.00 H new ATOM 0 HA TRP A 102 -8.263 -1.454 -0.570 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -9.872 -3.799 -1.530 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.573 -2.202 -1.704 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.560 -4.535 -3.614 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.226 -3.397 -5.515 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.021 0.305 -2.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.498 -0.770 -6.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.975 2.093 -3.390 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.745 1.575 -5.420 1.00 0.00 H new ATOM 1234 N GLU A 103 -10.378 -2.734 1.554 1.00 0.00 N ATOM 1235 CA GLU A 103 -11.300 -2.392 2.632 1.00 0.00 C ATOM 1236 C GLU A 103 -10.615 -1.508 3.672 1.00 0.00 C ATOM 1237 O GLU A 103 -11.236 -0.615 4.248 1.00 0.00 O ATOM 1238 CB GLU A 103 -11.847 -3.659 3.295 1.00 0.00 C ATOM 1239 CG GLU A 103 -12.804 -4.461 2.423 1.00 0.00 C ATOM 1240 CD GLU A 103 -13.990 -3.632 2.011 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -14.618 -3.061 2.869 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -14.202 -3.480 0.831 1.00 0.00 O ATOM 0 H GLU A 103 -10.107 -3.717 1.526 1.00 0.00 H new ATOM 0 HA GLU A 103 -12.132 -1.836 2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.010 -4.297 3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.360 -3.381 4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.280 -4.817 1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.144 -5.342 2.967 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.333 -1.764 3.906 1.00 0.00 N ATOM 1250 CA PHE A 104 -8.522 -0.895 4.750 1.00 0.00 C ATOM 1251 C PHE A 104 -8.375 0.488 4.124 1.00 0.00 C ATOM 1252 O PHE A 104 -8.569 1.506 4.792 1.00 0.00 O ATOM 1253 CB PHE A 104 -7.144 -1.516 4.990 1.00 0.00 C ATOM 1254 CG PHE A 104 -6.198 -0.622 5.740 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -6.198 -0.597 7.127 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -5.308 0.196 5.062 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -5.329 0.226 7.819 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -4.437 1.018 5.750 1.00 0.00 C ATOM 1259 CZ PHE A 104 -4.449 1.033 7.131 1.00 0.00 C ATOM 0 H PHE A 104 -8.833 -2.566 3.523 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.029 -0.786 5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.267 -2.446 5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.700 -1.774 4.029 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.885 -1.228 7.672 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.295 0.191 3.982 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.340 0.236 8.899 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.747 1.648 5.209 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.770 1.676 7.671 1.00 0.00 H new ATOM 1269 N ILE A 105 -8.031 0.518 2.841 1.00 0.00 N ATOM 1270 CA ILE A 105 -7.925 1.773 2.108 1.00 0.00 C ATOM 1271 C ILE A 105 -9.238 2.549 2.153 1.00 0.00 C ATOM 1272 O ILE A 105 -9.247 3.763 2.349 1.00 0.00 O ATOM 1273 CB ILE A 105 -7.528 1.536 0.640 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -6.099 0.991 0.554 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -7.660 2.822 -0.161 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.727 0.466 -0.813 1.00 0.00 C ATOM 0 H ILE A 105 -7.821 -0.313 2.288 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.145 2.358 2.595 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.204 0.795 0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.402 1.781 0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.981 0.191 1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.375 2.636 -1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.693 3.169 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -7.007 3.584 0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.701 0.098 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.400 -0.347 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.811 1.268 -1.546 1.00 0.00 H new ATOM 1288 N LYS A 106 -10.345 1.836 1.973 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.664 2.458 1.983 1.00 0.00 C ATOM 1290 C LYS A 106 -11.998 3.004 3.368 1.00 0.00 C ATOM 1291 O LYS A 106 -12.565 4.088 3.497 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.733 1.457 1.538 1.00 0.00 C ATOM 1293 CG LYS A 106 -12.732 1.158 0.045 1.00 0.00 C ATOM 1294 CD LYS A 106 -13.495 -0.120 -0.264 1.00 0.00 C ATOM 1295 CE LYS A 106 -14.968 0.013 0.095 1.00 0.00 C ATOM 1296 NZ LYS A 106 -15.738 -1.213 -0.249 1.00 0.00 N ATOM 0 H LYS A 106 -10.355 0.828 1.819 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.649 3.291 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.589 0.524 2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.713 1.842 1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.181 1.992 -0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.705 1.065 -0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.397 -0.357 -1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.057 -0.950 0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.064 0.214 1.162 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.394 0.868 -0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.686 -1.158 0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.825 -1.290 -1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.242 -2.049 0.119 1.00 0.00 H new ATOM 1310 N ASN A 107 -11.642 2.246 4.399 1.00 0.00 N ATOM 1311 CA ASN A 107 -11.878 2.667 5.776 1.00 0.00 C ATOM 1312 C ASN A 107 -11.149 3.974 6.075 1.00 0.00 C ATOM 1313 O ASN A 107 -11.679 4.849 6.761 1.00 0.00 O ATOM 1314 CB ASN A 107 -11.465 1.594 6.766 1.00 0.00 C ATOM 1315 CG ASN A 107 -12.404 0.421 6.812 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -13.564 0.510 6.395 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -11.934 -0.655 7.392 1.00 0.00 N ATOM 0 H ASN A 107 -11.189 1.337 4.308 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.950 2.831 5.888 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.467 1.239 6.509 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.400 2.035 7.761 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.534 -1.470 7.517 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.968 -0.678 7.719 1.00 0.00 H new ATOM 1324 N ARG A 108 -9.933 4.099 5.558 1.00 0.00 N ATOM 1325 CA ARG A 108 -9.133 5.300 5.765 1.00 0.00 C ATOM 1326 C ARG A 108 -9.692 6.471 4.962 1.00 0.00 C ATOM 1327 O ARG A 108 -9.638 7.621 5.402 1.00 0.00 O ATOM 1328 CB ARG A 108 -7.658 5.069 5.468 1.00 0.00 C ATOM 1329 CG ARG A 108 -6.959 4.100 6.408 1.00 0.00 C ATOM 1330 CD ARG A 108 -6.889 4.560 7.819 1.00 0.00 C ATOM 1331 NE ARG A 108 -6.110 3.699 8.695 1.00 0.00 N ATOM 1332 CZ ARG A 108 -6.033 3.838 10.033 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -6.653 4.821 10.649 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -5.298 2.974 10.708 1.00 0.00 N ATOM 0 H ARG A 108 -9.479 3.383 4.992 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.199 5.555 6.823 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.562 4.696 4.448 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.140 6.027 5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.478 3.142 6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.946 3.926 6.044 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.461 5.562 7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -7.902 4.638 8.214 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.585 2.937 8.266 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.203 5.493 10.113 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.584 4.912 11.663 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -4.808 2.227 10.216 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.220 3.053 11.722 1.00 0.00 H new ATOM 1348 N LEU A 109 -10.227 6.172 3.784 1.00 0.00 N ATOM 1349 CA LEU A 109 -10.897 7.179 2.969 1.00 0.00 C ATOM 1350 C LEU A 109 -12.203 7.624 3.620 1.00 0.00 C ATOM 1351 O LEU A 109 -12.609 8.780 3.494 1.00 0.00 O ATOM 1352 CB LEU A 109 -11.158 6.635 1.559 1.00 0.00 C ATOM 1353 CG LEU A 109 -9.906 6.423 0.699 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -10.276 5.713 -0.597 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -9.254 7.766 0.409 1.00 0.00 C ATOM 0 H LEU A 109 -10.210 5.239 3.371 1.00 0.00 H new ATOM 0 HA LEU A 109 -10.243 8.048 2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.685 5.685 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.824 7.323 1.039 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.196 5.798 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.380 5.567 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.720 4.745 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -10.993 6.319 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.364 7.614 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.957 8.404 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.972 8.244 1.347 1.00 0.00 H new ATOM 1367 N LYS A 110 -12.856 6.701 4.317 1.00 0.00 N ATOM 1368 CA LYS A 110 -14.035 7.030 5.109 1.00 0.00 C ATOM 1369 C LYS A 110 -13.668 7.933 6.283 1.00 0.00 C ATOM 1370 O LYS A 110 -14.447 8.798 6.679 1.00 0.00 O ATOM 1371 CB LYS A 110 -14.717 5.757 5.611 1.00 0.00 C ATOM 1372 CG LYS A 110 -15.431 4.957 4.531 1.00 0.00 C ATOM 1373 CD LYS A 110 -15.985 3.652 5.083 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.739 2.872 4.015 1.00 0.00 C ATOM 1375 NZ LYS A 110 -17.299 1.601 4.547 1.00 0.00 N ATOM 0 H LYS A 110 -12.588 5.717 4.350 1.00 0.00 H new ATOM 0 HA LYS A 110 -14.732 7.569 4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.968 5.120 6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.438 6.026 6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -16.244 5.551 4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.739 4.745 3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.168 3.044 5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.651 3.863 5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.547 3.487 3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.068 2.653 3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.805 1.100 3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.526 1.003 4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.959 1.810 5.323 1.00 0.00 H new ATOM 1389 N GLU A 111 -12.476 7.723 6.833 1.00 0.00 N ATOM 1390 CA GLU A 111 -11.953 8.595 7.878 1.00 0.00 C ATOM 1391 C GLU A 111 -11.626 9.977 7.319 1.00 0.00 C ATOM 1392 O GLU A 111 -11.546 10.957 8.061 1.00 0.00 O ATOM 1393 CB GLU A 111 -10.711 7.977 8.521 1.00 0.00 C ATOM 1394 CG GLU A 111 -10.990 6.751 9.380 1.00 0.00 C ATOM 1395 CD GLU A 111 -9.716 6.156 9.915 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -8.667 6.655 9.585 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -9.796 5.277 10.739 1.00 0.00 O ATOM 0 H GLU A 111 -11.855 6.957 6.572 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.723 8.706 8.642 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.009 7.702 7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.221 8.732 9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.641 7.026 10.209 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.523 6.005 8.790 1.00 0.00 H new ATOM 1404 N LEU A 112 -11.439 10.048 6.007 1.00 0.00 N ATOM 1405 CA LEU A 112 -11.204 11.322 5.334 1.00 0.00 C ATOM 1406 C LEU A 112 -12.515 11.936 4.855 1.00 0.00 C ATOM 1407 O LEU A 112 -12.534 13.044 4.322 1.00 0.00 O ATOM 1408 CB LEU A 112 -10.240 11.132 4.156 1.00 0.00 C ATOM 1409 CG LEU A 112 -8.835 10.645 4.534 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -8.011 10.401 3.276 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -8.163 11.678 5.428 1.00 0.00 C ATOM 0 H LEU A 112 -11.445 9.239 5.386 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.751 12.007 6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.679 10.418 3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.148 12.080 3.626 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.910 9.704 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.015 10.056 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.499 9.644 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.928 11.329 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.165 11.332 5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.088 12.626 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.755 11.816 6.333 1.00 0.00 H new