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 -20:sc= 1.11 USER MOD Set 1.2: A 59 ASN : amide:sc= 1.14 K(o=2.2,f=-8.3!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0178 USER MOD Single : A 44 GLN : amide:sc= -0.0573 X(o=-0.057,f=-0.24) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -165:sc= 0 (180deg=-0.43) 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= 0.00829 K(o=0.0083,f=-1.6) USER MOD Single : A 65 SER OG : rot -30:sc= 1.16 USER MOD Single : A 67 THR OG1 : rot -79:sc= 1.5 USER MOD Single : A 68 ASN : amide:sc= 0.709 K(o=0.71,f=-1.8) USER MOD Single : A 69 ASN : amide:sc= -0.0862 K(o=-0.086,f=-1.1!) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= -0.0224 (180deg=-0.229) USER MOD Single : A 74 THR OG1 : rot 165:sc= 0.639 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -2.13! K(o=-2.1!,f=-1.3) USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= 0.919 (180deg=0.381) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 95 ASN : amide:sc= -0.0458 K(o=-0.046,f=-1.3!) USER MOD Single : A 96 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.21) USER MOD Single : A 101 SER OG : rot 160:sc= 0.438 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.6!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N VAL A 38 -1.683 -9.710 -12.533 1.00 0.00 N ATOM 148 CA VAL A 38 -2.231 -8.705 -11.631 1.00 0.00 C ATOM 149 C VAL A 38 -2.719 -7.483 -12.400 1.00 0.00 C ATOM 150 O VAL A 38 -2.567 -7.403 -13.619 1.00 0.00 O ATOM 151 CB VAL A 38 -1.196 -8.262 -10.581 1.00 0.00 C ATOM 152 CG1 VAL A 38 -0.797 -9.433 -9.696 1.00 0.00 C ATOM 153 CG2 VAL A 38 0.029 -7.667 -11.260 1.00 0.00 C ATOM 0 HA VAL A 38 -3.075 -9.168 -11.120 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.650 -7.496 -9.953 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.065 -9.100 -8.960 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.678 -9.818 -9.183 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.362 -10.221 -10.310 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.751 -7.359 -10.503 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.483 -8.414 -11.911 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.268 -6.801 -11.852 1.00 0.00 H new ATOM 163 N ARG A 39 -3.307 -6.534 -11.679 1.00 0.00 N ATOM 164 CA ARG A 39 -3.715 -5.266 -12.274 1.00 0.00 C ATOM 165 C ARG A 39 -2.620 -4.214 -12.115 1.00 0.00 C ATOM 166 O ARG A 39 -1.872 -4.227 -11.140 1.00 0.00 O ATOM 167 CB ARG A 39 -5.047 -4.775 -11.727 1.00 0.00 C ATOM 168 CG ARG A 39 -6.207 -5.743 -11.904 1.00 0.00 C ATOM 169 CD ARG A 39 -6.593 -5.981 -13.319 1.00 0.00 C ATOM 170 NE ARG A 39 -7.025 -4.792 -14.035 1.00 0.00 N ATOM 171 CZ ARG A 39 -8.268 -4.273 -13.977 1.00 0.00 C ATOM 172 NH1 ARG A 39 -9.213 -4.856 -13.274 1.00 0.00 N ATOM 173 NH2 ARG A 39 -8.519 -3.176 -14.670 1.00 0.00 N ATOM 0 H ARG A 39 -3.512 -6.618 -10.683 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.863 -5.440 -13.340 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.930 -4.561 -10.665 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.300 -3.834 -12.216 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.943 -6.696 -11.446 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.072 -5.359 -11.363 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.744 -6.418 -13.845 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.397 -6.717 -13.344 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.340 -4.317 -14.622 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.011 -5.715 -12.761 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.148 -4.450 -13.241 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.782 -2.746 -15.229 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.450 -2.760 -14.646 1.00 0.00 H new ATOM 187 N GLU A 40 -2.535 -3.307 -13.082 1.00 0.00 N ATOM 188 CA GLU A 40 -1.352 -2.468 -13.239 1.00 0.00 C ATOM 189 C GLU A 40 -1.317 -1.373 -12.176 1.00 0.00 C ATOM 190 O GLU A 40 -2.228 -1.262 -11.353 1.00 0.00 O ATOM 191 CB GLU A 40 -1.314 -1.848 -14.637 1.00 0.00 C ATOM 192 CG GLU A 40 -2.386 -0.797 -14.889 1.00 0.00 C ATOM 193 CD GLU A 40 -2.309 -0.263 -16.291 1.00 0.00 C ATOM 194 OE1 GLU A 40 -1.451 -0.693 -17.025 1.00 0.00 O ATOM 195 OE2 GLU A 40 -3.175 0.492 -16.667 1.00 0.00 O ATOM 0 H GLU A 40 -3.270 -3.134 -13.768 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.472 -3.099 -13.112 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.335 -1.395 -14.794 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.420 -2.642 -15.376 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.371 -1.231 -14.717 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.269 0.022 -14.179 1.00 0.00 H new ATOM 202 N LEU A 41 -0.260 -0.569 -12.197 1.00 0.00 N ATOM 203 CA LEU A 41 -0.120 0.536 -11.255 1.00 0.00 C ATOM 204 C LEU A 41 -0.380 1.873 -11.942 1.00 0.00 C ATOM 205 O LEU A 41 0.496 2.420 -12.613 1.00 0.00 O ATOM 206 CB LEU A 41 1.277 0.522 -10.622 1.00 0.00 C ATOM 207 CG LEU A 41 1.527 -0.608 -9.615 1.00 0.00 C ATOM 208 CD1 LEU A 41 1.425 -1.959 -10.310 1.00 0.00 C ATOM 209 CD2 LEU A 41 2.897 -0.429 -8.980 1.00 0.00 C ATOM 0 H LEU A 41 0.513 -0.661 -12.856 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.863 0.409 -10.467 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.018 0.448 -11.418 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.441 1.476 -10.121 1.00 0.00 H new ATOM 0 HG LEU A 41 0.770 -0.571 -8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.604 -2.755 -9.587 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.429 -2.074 -10.737 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.169 -2.017 -11.104 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.074 -1.232 -8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.663 -0.457 -9.754 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.937 0.531 -8.465 1.00 0.00 H new ATOM 221 N THR A 42 -1.589 2.397 -11.767 1.00 0.00 N ATOM 222 CA THR A 42 -1.933 3.714 -12.286 1.00 0.00 C ATOM 223 C THR A 42 -1.599 4.808 -11.278 1.00 0.00 C ATOM 224 O THR A 42 -1.484 4.564 -10.077 1.00 0.00 O ATOM 225 CB THR A 42 -3.426 3.806 -12.651 1.00 0.00 C ATOM 226 OG1 THR A 42 -4.221 3.649 -11.469 1.00 0.00 O ATOM 227 CG2 THR A 42 -3.797 2.723 -13.654 1.00 0.00 C ATOM 0 H THR A 42 -2.346 1.929 -11.269 1.00 0.00 H new ATOM 0 HA THR A 42 -1.339 3.860 -13.188 1.00 0.00 H new ATOM 0 HB THR A 42 -3.616 4.782 -13.097 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.171 3.709 -11.703 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.856 2.803 -13.901 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.203 2.847 -14.560 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.598 1.743 -13.221 1.00 0.00 H new ATOM 235 N PRO A 43 -1.439 6.043 -11.775 1.00 0.00 N ATOM 236 CA PRO A 43 -1.231 7.218 -10.924 1.00 0.00 C ATOM 237 C PRO A 43 -2.411 7.477 -9.994 1.00 0.00 C ATOM 238 O PRO A 43 -2.245 8.023 -8.904 1.00 0.00 O ATOM 239 CB PRO A 43 -1.028 8.364 -11.921 1.00 0.00 C ATOM 240 CG PRO A 43 -1.695 7.893 -13.168 1.00 0.00 C ATOM 241 CD PRO A 43 -1.462 6.407 -13.210 1.00 0.00 C ATOM 0 HA PRO A 43 -0.383 7.092 -10.251 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.473 9.290 -11.558 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.031 8.563 -12.087 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.760 8.123 -13.155 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.274 8.381 -14.047 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.255 5.887 -13.747 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.524 6.158 -13.707 1.00 0.00 H new ATOM 249 N GLN A 44 -3.602 7.085 -10.434 1.00 0.00 N ATOM 250 CA GLN A 44 -4.795 7.186 -9.601 1.00 0.00 C ATOM 251 C GLN A 44 -4.766 6.156 -8.478 1.00 0.00 C ATOM 252 O GLN A 44 -5.127 6.454 -7.341 1.00 0.00 O ATOM 253 CB GLN A 44 -6.057 6.999 -10.446 1.00 0.00 C ATOM 254 CG GLN A 44 -7.355 7.194 -9.678 1.00 0.00 C ATOM 255 CD GLN A 44 -7.505 8.607 -9.148 1.00 0.00 C ATOM 256 OE1 GLN A 44 -7.248 9.583 -9.858 1.00 0.00 O ATOM 257 NE2 GLN A 44 -7.921 8.725 -7.891 1.00 0.00 N ATOM 0 H GLN A 44 -3.767 6.695 -11.362 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.809 8.182 -9.157 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.031 7.702 -11.278 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.049 5.997 -10.875 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.198 6.961 -10.329 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.391 6.491 -8.846 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.122 7.891 -7.340 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.039 9.650 -7.478 1.00 0.00 H new ATOM 266 N GLU A 45 -4.332 4.942 -8.806 1.00 0.00 N ATOM 267 CA GLU A 45 -4.273 3.863 -7.826 1.00 0.00 C ATOM 268 C GLU A 45 -3.196 4.138 -6.779 1.00 0.00 C ATOM 269 O GLU A 45 -3.361 3.810 -5.604 1.00 0.00 O ATOM 270 CB GLU A 45 -4.007 2.524 -8.519 1.00 0.00 C ATOM 271 CG GLU A 45 -5.204 1.955 -9.267 1.00 0.00 C ATOM 272 CD GLU A 45 -4.783 0.883 -10.233 1.00 0.00 C ATOM 273 OE1 GLU A 45 -3.604 0.693 -10.405 1.00 0.00 O ATOM 274 OE2 GLU A 45 -5.639 0.177 -10.714 1.00 0.00 O ATOM 0 H GLU A 45 -4.017 4.682 -9.741 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.238 3.811 -7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.182 2.649 -9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.683 1.800 -7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.920 1.545 -8.555 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.713 2.754 -9.806 1.00 0.00 H new ATOM 281 N LEU A 46 -2.096 4.742 -7.214 1.00 0.00 N ATOM 282 CA LEU A 46 -0.943 4.948 -6.345 1.00 0.00 C ATOM 283 C LEU A 46 -1.150 6.166 -5.447 1.00 0.00 C ATOM 284 O LEU A 46 -0.783 6.151 -4.273 1.00 0.00 O ATOM 285 CB LEU A 46 0.332 5.110 -7.182 1.00 0.00 C ATOM 286 CG LEU A 46 0.741 3.873 -7.994 1.00 0.00 C ATOM 287 CD1 LEU A 46 2.014 4.162 -8.780 1.00 0.00 C ATOM 288 CD2 LEU A 46 0.945 2.694 -7.053 1.00 0.00 C ATOM 0 H LEU A 46 -1.978 5.098 -8.163 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.834 4.071 -5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.194 5.946 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.153 5.376 -6.517 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.049 3.625 -8.703 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.296 3.279 -9.353 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.840 4.996 -9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.817 4.419 -8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.235 1.815 -7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.729 2.933 -6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.016 2.488 -6.521 1.00 0.00 H new ATOM 300 N GLU A 47 -1.737 7.216 -6.011 1.00 0.00 N ATOM 301 CA GLU A 47 -1.923 8.467 -5.285 1.00 0.00 C ATOM 302 C GLU A 47 -2.964 8.306 -4.180 1.00 0.00 C ATOM 303 O GLU A 47 -2.791 8.809 -3.070 1.00 0.00 O ATOM 304 CB GLU A 47 -2.337 9.587 -6.242 1.00 0.00 C ATOM 305 CG GLU A 47 -1.216 10.092 -7.141 1.00 0.00 C ATOM 306 CD GLU A 47 -1.729 11.083 -8.148 1.00 0.00 C ATOM 307 OE1 GLU A 47 -2.914 11.312 -8.177 1.00 0.00 O ATOM 308 OE2 GLU A 47 -0.925 11.696 -8.811 1.00 0.00 O ATOM 0 H GLU A 47 -2.092 7.226 -6.967 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.972 8.734 -4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.155 9.230 -6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.723 10.423 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.440 10.557 -6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.754 9.251 -7.658 1.00 0.00 H new ATOM 315 N LEU A 48 -4.046 7.601 -4.494 1.00 0.00 N ATOM 316 CA LEU A 48 -5.098 7.341 -3.518 1.00 0.00 C ATOM 317 C LEU A 48 -4.593 6.434 -2.400 1.00 0.00 C ATOM 318 O LEU A 48 -5.114 6.458 -1.284 1.00 0.00 O ATOM 319 CB LEU A 48 -6.308 6.700 -4.201 1.00 0.00 C ATOM 320 CG LEU A 48 -6.158 5.228 -4.589 1.00 0.00 C ATOM 321 CD1 LEU A 48 -6.330 4.336 -3.370 1.00 0.00 C ATOM 322 CD2 LEU A 48 -7.162 4.857 -5.669 1.00 0.00 C ATOM 0 H LEU A 48 -4.217 7.200 -5.416 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.397 8.294 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.167 6.794 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.537 7.271 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.154 5.076 -4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.220 3.292 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.572 4.585 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.321 4.490 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.041 3.806 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.173 5.024 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.992 5.474 -6.551 1.00 0.00 H new ATOM 334 N PHE A 49 -3.574 5.639 -2.706 1.00 0.00 N ATOM 335 CA PHE A 49 -2.949 4.778 -1.707 1.00 0.00 C ATOM 336 C PHE A 49 -2.247 5.608 -0.637 1.00 0.00 C ATOM 337 O PHE A 49 -2.565 5.512 0.548 1.00 0.00 O ATOM 338 CB PHE A 49 -1.957 3.821 -2.370 1.00 0.00 C ATOM 339 CG PHE A 49 -1.224 2.939 -1.400 1.00 0.00 C ATOM 340 CD1 PHE A 49 -1.811 1.781 -0.912 1.00 0.00 C ATOM 341 CD2 PHE A 49 0.054 3.268 -0.970 1.00 0.00 C ATOM 342 CE1 PHE A 49 -1.136 0.970 -0.018 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.729 2.458 -0.078 1.00 0.00 C ATOM 344 CZ PHE A 49 0.133 1.308 0.398 1.00 0.00 C ATOM 0 H PHE A 49 -3.163 5.572 -3.637 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.733 4.192 -1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.493 3.194 -3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.231 4.402 -2.939 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.806 1.510 -1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.526 4.167 -1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.604 0.071 0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.724 2.725 0.247 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.660 0.674 1.095 1.00 0.00 H new ATOM 354 N LYS A 50 -1.289 6.424 -1.063 1.00 0.00 N ATOM 355 CA LYS A 50 -0.553 7.287 -0.146 1.00 0.00 C ATOM 356 C LYS A 50 -1.484 8.306 0.504 1.00 0.00 C ATOM 357 O LYS A 50 -1.234 8.764 1.618 1.00 0.00 O ATOM 358 CB LYS A 50 0.585 8.000 -0.877 1.00 0.00 C ATOM 359 CG LYS A 50 0.129 9.000 -1.930 1.00 0.00 C ATOM 360 CD LYS A 50 1.314 9.647 -2.630 1.00 0.00 C ATOM 361 CE LYS A 50 0.862 10.719 -3.609 1.00 0.00 C ATOM 362 NZ LYS A 50 2.010 11.348 -4.316 1.00 0.00 N ATOM 0 H LYS A 50 -1.004 6.506 -2.039 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.126 6.662 0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.202 8.519 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.218 7.252 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.499 8.496 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.484 9.770 -1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.981 10.087 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.886 8.885 -3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.183 10.280 -4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.302 11.486 -3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.658 12.073 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.645 11.790 -3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.530 10.621 -4.848 1.00 0.00 H new ATOM 376 N ARG A 51 -2.557 8.655 -0.198 1.00 0.00 N ATOM 377 CA ARG A 51 -3.576 9.540 0.352 1.00 0.00 C ATOM 378 C ARG A 51 -4.308 8.868 1.512 1.00 0.00 C ATOM 379 O ARG A 51 -4.552 9.488 2.546 1.00 0.00 O ATOM 380 CB ARG A 51 -4.546 10.033 -0.710 1.00 0.00 C ATOM 381 CG ARG A 51 -5.607 11.000 -0.207 1.00 0.00 C ATOM 382 CD ARG A 51 -6.488 11.548 -1.271 1.00 0.00 C ATOM 383 NE ARG A 51 -7.514 12.461 -0.793 1.00 0.00 N ATOM 384 CZ ARG A 51 -8.441 13.048 -1.574 1.00 0.00 C ATOM 385 NH1 ARG A 51 -8.452 12.853 -2.874 1.00 0.00 N ATOM 386 NH2 ARG A 51 -9.324 13.847 -1.002 1.00 0.00 N ATOM 0 H ARG A 51 -2.743 8.338 -1.149 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.066 10.422 0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.978 10.520 -1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.042 9.171 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.224 10.491 0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.115 11.828 0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.871 12.067 -2.005 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.970 10.719 -1.789 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.533 12.672 0.205 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.752 12.250 -3.305 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.161 13.305 -3.452 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.292 14.005 0.005 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.038 14.306 -1.568 1.00 0.00 H new ATOM 400 N ALA A 52 -4.656 7.599 1.330 1.00 0.00 N ATOM 401 CA ALA A 52 -5.331 6.835 2.372 1.00 0.00 C ATOM 402 C ALA A 52 -4.399 6.575 3.551 1.00 0.00 C ATOM 403 O ALA A 52 -4.835 6.550 4.702 1.00 0.00 O ATOM 404 CB ALA A 52 -5.852 5.521 1.810 1.00 0.00 C ATOM 0 H ALA A 52 -4.482 7.078 0.471 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.175 7.424 2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.354 4.961 2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.558 5.724 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.018 4.935 1.423 1.00 0.00 H new ATOM 410 N MET A 53 -3.119 6.381 3.257 1.00 0.00 N ATOM 411 CA MET A 53 -2.117 6.175 4.297 1.00 0.00 C ATOM 412 C MET A 53 -1.767 7.490 4.982 1.00 0.00 C ATOM 413 O MET A 53 -1.267 7.503 6.107 1.00 0.00 O ATOM 414 CB MET A 53 -0.862 5.533 3.707 1.00 0.00 C ATOM 415 CG MET A 53 -1.077 4.136 3.141 1.00 0.00 C ATOM 416 SD MET A 53 -1.614 2.953 4.392 1.00 0.00 S ATOM 417 CE MET A 53 -2.073 1.560 3.366 1.00 0.00 C ATOM 0 H MET A 53 -2.750 6.362 2.306 1.00 0.00 H new ATOM 0 HA MET A 53 -2.536 5.502 5.045 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.477 6.177 2.916 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.096 5.484 4.480 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.822 4.181 2.346 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.149 3.785 2.689 1.00 0.00 H new ATOM 0 HE1 MET A 53 -2.666 0.857 3.951 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.659 1.911 2.517 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.173 1.062 3.005 1.00 0.00 H new ATOM 427 N GLY A 54 -2.031 8.599 4.297 1.00 0.00 N ATOM 428 CA GLY A 54 -1.732 9.905 4.854 1.00 0.00 C ATOM 429 C GLY A 54 -0.243 10.188 4.901 1.00 0.00 C ATOM 430 O GLY A 54 0.236 10.877 5.802 1.00 0.00 O ATOM 0 H GLY A 54 -2.447 8.616 3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.226 10.673 4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.143 9.970 5.861 1.00 0.00 H new ATOM 434 N ILE A 55 0.490 9.653 3.931 1.00 0.00 N ATOM 435 CA ILE A 55 1.948 9.654 3.986 1.00 0.00 C ATOM 436 C ILE A 55 2.498 11.074 3.925 1.00 0.00 C ATOM 437 O ILE A 55 2.307 11.785 2.938 1.00 0.00 O ATOM 438 CB ILE A 55 2.557 8.824 2.841 1.00 0.00 C ATOM 439 CG1 ILE A 55 2.150 7.355 2.972 1.00 0.00 C ATOM 440 CG2 ILE A 55 4.071 8.962 2.833 1.00 0.00 C ATOM 441 CD1 ILE A 55 2.541 6.506 1.783 1.00 0.00 C ATOM 0 H ILE A 55 0.099 9.213 3.098 1.00 0.00 H new ATOM 0 HA ILE A 55 2.229 9.200 4.936 1.00 0.00 H new ATOM 0 HB ILE A 55 2.173 9.204 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.608 6.939 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.070 7.297 3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.486 8.369 2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.340 10.009 2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.474 8.607 3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.220 5.478 1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.062 6.896 0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.623 6.532 1.658 1.00 0.00 H new ATOM 453 N THR A 56 3.189 11.482 4.985 1.00 0.00 N ATOM 454 CA THR A 56 3.733 12.831 5.071 1.00 0.00 C ATOM 455 C THR A 56 5.122 12.905 4.449 1.00 0.00 C ATOM 456 O THR A 56 5.808 11.896 4.284 1.00 0.00 O ATOM 457 CB THR A 56 3.807 13.319 6.529 1.00 0.00 C ATOM 458 OG1 THR A 56 4.710 12.487 7.269 1.00 0.00 O ATOM 459 CG2 THR A 56 2.431 13.271 7.179 1.00 0.00 C ATOM 0 H THR A 56 3.385 10.896 5.797 1.00 0.00 H new ATOM 0 HA THR A 56 3.055 13.479 4.516 1.00 0.00 H new ATOM 0 HB THR A 56 4.164 14.349 6.534 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.827 11.634 6.801 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.503 13.620 8.209 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.745 13.912 6.626 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.059 12.247 7.168 1.00 0.00 H new ATOM 467 N PRO A 57 5.549 14.126 4.095 1.00 0.00 N ATOM 468 CA PRO A 57 6.910 14.379 3.610 1.00 0.00 C ATOM 469 C PRO A 57 7.968 14.060 4.661 1.00 0.00 C ATOM 470 O PRO A 57 9.158 13.984 4.354 1.00 0.00 O ATOM 471 CB PRO A 57 6.900 15.867 3.245 1.00 0.00 C ATOM 472 CG PRO A 57 5.814 16.448 4.086 1.00 0.00 C ATOM 473 CD PRO A 57 4.757 15.381 4.165 1.00 0.00 C ATOM 0 HA PRO A 57 7.170 13.742 2.765 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.861 16.335 3.458 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.702 16.014 2.183 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.183 16.710 5.078 1.00 0.00 H new ATOM 0 HG3 PRO A 57 5.418 17.361 3.641 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.185 15.447 5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.045 15.456 3.343 1.00 0.00 H new ATOM 481 N HIS A 58 7.527 13.875 5.901 1.00 0.00 N ATOM 482 CA HIS A 58 8.431 13.524 6.990 1.00 0.00 C ATOM 483 C HIS A 58 8.772 12.037 6.955 1.00 0.00 C ATOM 484 O HIS A 58 9.912 11.646 7.202 1.00 0.00 O ATOM 485 CB HIS A 58 7.818 13.893 8.346 1.00 0.00 C ATOM 486 CG HIS A 58 7.610 15.364 8.531 1.00 0.00 C ATOM 487 ND1 HIS A 58 8.657 16.256 8.640 1.00 0.00 N ATOM 488 CD2 HIS A 58 6.477 16.099 8.628 1.00 0.00 C ATOM 489 CE1 HIS A 58 8.175 17.477 8.795 1.00 0.00 C ATOM 490 NE2 HIS A 58 6.855 17.408 8.791 1.00 0.00 N ATOM 0 H HIS A 58 6.549 13.962 6.177 1.00 0.00 H new ATOM 0 HA HIS A 58 9.351 14.094 6.858 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.861 13.383 8.453 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.466 13.524 9.141 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.465 15.725 8.585 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.760 18.378 8.906 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.220 18.200 8.893 1.00 0.00 H new ATOM 498 N ASN A 59 7.775 11.213 6.647 1.00 0.00 N ATOM 499 CA ASN A 59 7.970 9.770 6.579 1.00 0.00 C ATOM 500 C ASN A 59 7.786 9.263 5.151 1.00 0.00 C ATOM 501 O ASN A 59 7.546 8.076 4.930 1.00 0.00 O ATOM 502 CB ASN A 59 7.036 9.038 7.524 1.00 0.00 C ATOM 503 CG ASN A 59 5.580 9.216 7.195 1.00 0.00 C ATOM 504 OD1 ASN A 59 5.216 9.976 6.292 1.00 0.00 O ATOM 505 ND2 ASN A 59 4.743 8.581 7.976 1.00 0.00 N ATOM 0 H ASN A 59 6.825 11.520 6.441 1.00 0.00 H new ATOM 0 HA ASN A 59 8.994 9.564 6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.276 7.975 7.506 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.215 9.388 8.541 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.738 8.703 7.853 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.096 7.964 8.708 1.00 0.00 H new ATOM 512 N TYR A 60 7.902 10.170 4.189 1.00 0.00 N ATOM 513 CA TYR A 60 7.751 9.815 2.782 1.00 0.00 C ATOM 514 C TYR A 60 8.860 8.869 2.337 1.00 0.00 C ATOM 515 O TYR A 60 8.599 7.833 1.724 1.00 0.00 O ATOM 516 CB TYR A 60 7.748 11.072 1.910 1.00 0.00 C ATOM 517 CG TYR A 60 7.576 10.791 0.432 1.00 0.00 C ATOM 518 CD1 TYR A 60 6.322 10.536 -0.103 1.00 0.00 C ATOM 519 CD2 TYR A 60 8.668 10.785 -0.423 1.00 0.00 C ATOM 520 CE1 TYR A 60 6.158 10.280 -1.450 1.00 0.00 C ATOM 521 CE2 TYR A 60 8.517 10.530 -1.772 1.00 0.00 C ATOM 522 CZ TYR A 60 7.260 10.278 -2.282 1.00 0.00 C ATOM 523 OH TYR A 60 7.103 10.025 -3.625 1.00 0.00 O ATOM 0 H TYR A 60 8.100 11.156 4.356 1.00 0.00 H new ATOM 0 HA TYR A 60 6.796 9.303 2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.945 11.730 2.241 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.684 11.610 2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.458 10.538 0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.653 10.983 -0.027 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.174 10.083 -1.850 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.378 10.528 -2.424 1.00 0.00 H new ATOM 0 HH TYR A 60 7.976 10.062 -4.069 1.00 0.00 H new ATOM 533 N TRP A 61 10.098 9.230 2.651 1.00 0.00 N ATOM 534 CA TRP A 61 11.246 8.387 2.331 1.00 0.00 C ATOM 535 C TRP A 61 11.168 7.057 3.072 1.00 0.00 C ATOM 536 O TRP A 61 11.625 6.031 2.571 1.00 0.00 O ATOM 537 CB TRP A 61 12.551 9.107 2.676 1.00 0.00 C ATOM 538 CG TRP A 61 12.770 9.276 4.150 1.00 0.00 C ATOM 539 CD1 TRP A 61 12.344 10.315 4.922 1.00 0.00 C ATOM 540 CD2 TRP A 61 13.464 8.380 5.025 1.00 0.00 C ATOM 541 NE1 TRP A 61 12.733 10.123 6.226 1.00 0.00 N ATOM 542 CE2 TRP A 61 13.420 8.940 6.315 1.00 0.00 C ATOM 543 CE3 TRP A 61 14.120 7.156 4.842 1.00 0.00 C ATOM 544 CZ2 TRP A 61 14.004 8.326 7.412 1.00 0.00 C ATOM 545 CZ3 TRP A 61 14.703 6.540 5.943 1.00 0.00 C ATOM 546 CH2 TRP A 61 14.648 7.108 7.191 1.00 0.00 C ATOM 0 H TRP A 61 10.334 10.101 3.127 1.00 0.00 H new ATOM 0 HA TRP A 61 11.228 8.185 1.260 1.00 0.00 H new ATOM 0 HB2 TRP A 61 13.387 8.549 2.254 1.00 0.00 H new ATOM 0 HB3 TRP A 61 12.551 10.088 2.202 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.783 11.165 4.562 1.00 0.00 H new ATOM 0 HE1 TRP A 61 12.542 10.757 7.001 1.00 0.00 H new ATOM 0 HE3 TRP A 61 14.172 6.700 3.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.962 8.771 8.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 15.210 5.595 5.814 1.00 0.00 H new ATOM 0 HH2 TRP A 61 15.114 6.600 8.022 1.00 0.00 H new ATOM 557 N GLN A 62 10.585 7.084 4.266 1.00 0.00 N ATOM 558 CA GLN A 62 10.395 5.868 5.050 1.00 0.00 C ATOM 559 C GLN A 62 9.420 4.921 4.356 1.00 0.00 C ATOM 560 O GLN A 62 9.698 3.732 4.205 1.00 0.00 O ATOM 561 CB GLN A 62 9.880 6.207 6.451 1.00 0.00 C ATOM 562 CG GLN A 62 10.906 6.888 7.343 1.00 0.00 C ATOM 563 CD GLN A 62 10.333 7.274 8.693 1.00 0.00 C ATOM 564 OE1 GLN A 62 9.142 7.081 8.957 1.00 0.00 O ATOM 565 NE2 GLN A 62 11.177 7.828 9.557 1.00 0.00 N ATOM 0 H GLN A 62 10.236 7.933 4.712 1.00 0.00 H new ATOM 0 HA GLN A 62 11.361 5.371 5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.008 6.855 6.359 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.546 5.289 6.935 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.756 6.221 7.489 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.283 7.780 6.843 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.153 7.969 9.297 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.849 8.112 10.480 1.00 0.00 H new ATOM 574 N TRP A 63 8.280 5.457 3.939 1.00 0.00 N ATOM 575 CA TRP A 63 7.281 4.668 3.226 1.00 0.00 C ATOM 576 C TRP A 63 7.814 4.220 1.867 1.00 0.00 C ATOM 577 O TRP A 63 7.451 3.154 1.371 1.00 0.00 O ATOM 578 CB TRP A 63 5.992 5.472 3.047 1.00 0.00 C ATOM 579 CG TRP A 63 5.029 5.318 4.185 1.00 0.00 C ATOM 580 CD1 TRP A 63 4.929 6.119 5.282 1.00 0.00 C ATOM 581 CD2 TRP A 63 4.029 4.301 4.335 1.00 0.00 C ATOM 582 NE1 TRP A 63 3.931 5.666 6.110 1.00 0.00 N ATOM 583 CE2 TRP A 63 3.362 4.550 5.549 1.00 0.00 C ATOM 584 CE3 TRP A 63 3.635 3.205 3.560 1.00 0.00 C ATOM 585 CZ2 TRP A 63 2.329 3.748 6.005 1.00 0.00 C ATOM 586 CZ3 TRP A 63 2.598 2.402 4.017 1.00 0.00 C ATOM 587 CH2 TRP A 63 1.963 2.665 5.206 1.00 0.00 C ATOM 0 H TRP A 63 8.023 6.434 4.082 1.00 0.00 H new ATOM 0 HA TRP A 63 7.062 3.781 3.821 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.244 6.527 2.934 1.00 0.00 H new ATOM 0 HB3 TRP A 63 5.504 5.160 2.124 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.545 6.985 5.473 1.00 0.00 H new ATOM 0 HE1 TRP A 63 3.658 6.090 6.997 1.00 0.00 H new ATOM 0 HE3 TRP A 63 4.128 2.987 2.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.828 3.953 6.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.285 1.554 3.426 1.00 0.00 H new ATOM 0 HH2 TRP A 63 1.161 2.018 5.530 1.00 0.00 H new ATOM 598 N ALA A 64 8.672 5.041 1.272 1.00 0.00 N ATOM 599 CA ALA A 64 9.232 4.740 -0.039 1.00 0.00 C ATOM 600 C ALA A 64 10.099 3.486 0.011 1.00 0.00 C ATOM 601 O ALA A 64 10.215 2.760 -0.976 1.00 0.00 O ATOM 602 CB ALA A 64 10.040 5.922 -0.553 1.00 0.00 C ATOM 0 H ALA A 64 8.995 5.920 1.677 1.00 0.00 H new ATOM 0 HA ALA A 64 8.406 4.554 -0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.452 5.682 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.394 6.796 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.854 6.136 0.140 1.00 0.00 H new ATOM 608 N SER A 65 10.708 3.238 1.166 1.00 0.00 N ATOM 609 CA SER A 65 11.660 2.143 1.310 1.00 0.00 C ATOM 610 C SER A 65 10.937 0.823 1.562 1.00 0.00 C ATOM 611 O SER A 65 11.410 -0.242 1.166 1.00 0.00 O ATOM 612 CB SER A 65 12.632 2.438 2.437 1.00 0.00 C ATOM 613 OG SER A 65 11.995 2.480 3.683 1.00 0.00 O ATOM 0 H SER A 65 10.559 3.781 2.016 1.00 0.00 H new ATOM 0 HA SER A 65 12.219 2.050 0.379 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.410 1.675 2.453 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.125 3.392 2.250 1.00 0.00 H new ATOM 0 HG SER A 65 11.072 2.787 3.568 1.00 0.00 H new ATOM 619 N ARG A 66 9.785 0.904 2.221 1.00 0.00 N ATOM 620 CA ARG A 66 9.022 -0.288 2.572 1.00 0.00 C ATOM 621 C ARG A 66 8.071 -0.677 1.443 1.00 0.00 C ATOM 622 O ARG A 66 7.746 -1.851 1.267 1.00 0.00 O ATOM 623 CB ARG A 66 8.286 -0.131 3.894 1.00 0.00 C ATOM 624 CG ARG A 66 7.109 0.832 3.862 1.00 0.00 C ATOM 625 CD ARG A 66 6.152 0.667 4.986 1.00 0.00 C ATOM 626 NE ARG A 66 6.740 0.824 6.306 1.00 0.00 N ATOM 627 CZ ARG A 66 6.823 1.992 6.973 1.00 0.00 C ATOM 628 NH1 ARG A 66 6.393 3.111 6.436 1.00 0.00 N ATOM 629 NH2 ARG A 66 7.371 1.986 8.176 1.00 0.00 N ATOM 0 H ARG A 66 9.360 1.781 2.522 1.00 0.00 H new ATOM 0 HA ARG A 66 9.735 -1.101 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.927 -1.110 4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.994 0.209 4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.490 1.853 3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.573 0.701 2.922 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.348 1.394 4.872 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.699 -0.322 4.919 1.00 0.00 H new ATOM 0 HE ARG A 66 7.116 -0.009 6.759 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.988 3.105 5.500 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.464 3.986 6.955 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.717 1.113 8.575 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.448 2.854 8.706 1.00 0.00 H new ATOM 643 N THR A 67 7.627 0.318 0.681 1.00 0.00 N ATOM 644 CA THR A 67 6.683 0.086 -0.405 1.00 0.00 C ATOM 645 C THR A 67 7.409 -0.251 -1.704 1.00 0.00 C ATOM 646 O THR A 67 6.792 -0.343 -2.763 1.00 0.00 O ATOM 647 CB THR A 67 5.777 1.310 -0.638 1.00 0.00 C ATOM 648 OG1 THR A 67 6.584 2.448 -0.968 1.00 0.00 O ATOM 649 CG2 THR A 67 4.963 1.615 0.609 1.00 0.00 C ATOM 0 H THR A 67 7.906 1.292 0.796 1.00 0.00 H new ATOM 0 HA THR A 67 6.064 -0.761 -0.107 1.00 0.00 H new ATOM 0 HB THR A 67 5.095 1.089 -1.459 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.978 2.818 -0.150 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.329 2.482 0.426 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.340 0.755 0.856 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.636 1.826 1.440 1.00 0.00 H new ATOM 657 N ASN A 68 8.722 -0.437 -1.610 1.00 0.00 N ATOM 658 CA ASN A 68 9.539 -0.720 -2.784 1.00 0.00 C ATOM 659 C ASN A 68 9.256 0.284 -3.898 1.00 0.00 C ATOM 660 O ASN A 68 8.754 -0.079 -4.960 1.00 0.00 O ATOM 661 CB ASN A 68 9.324 -2.136 -3.283 1.00 0.00 C ATOM 662 CG ASN A 68 10.365 -2.597 -4.266 1.00 0.00 C ATOM 663 OD1 ASN A 68 11.177 -1.804 -4.758 1.00 0.00 O ATOM 664 ND2 ASN A 68 10.293 -3.855 -4.617 1.00 0.00 N ATOM 0 H ASN A 68 9.242 -0.397 -0.734 1.00 0.00 H new ATOM 0 HA ASN A 68 10.583 -0.624 -2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.317 -2.815 -2.430 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.342 -2.201 -3.751 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.925 -4.223 -5.328 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.605 -4.468 -4.180 1.00 0.00 H new ATOM 671 N ASN A 69 9.586 1.546 -3.647 1.00 0.00 N ATOM 672 CA ASN A 69 9.347 2.607 -4.621 1.00 0.00 C ATOM 673 C ASN A 69 7.854 2.785 -4.876 1.00 0.00 C ATOM 674 O ASN A 69 7.438 3.117 -5.986 1.00 0.00 O ATOM 675 CB ASN A 69 10.076 2.338 -5.925 1.00 0.00 C ATOM 676 CG ASN A 69 10.314 3.573 -6.750 1.00 0.00 C ATOM 677 OD1 ASN A 69 10.433 4.684 -6.222 1.00 0.00 O ATOM 678 ND2 ASN A 69 10.299 3.396 -8.048 1.00 0.00 N ATOM 0 H ASN A 69 10.019 1.860 -2.779 1.00 0.00 H new ATOM 0 HA ASN A 69 9.741 3.532 -4.199 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.035 1.868 -5.705 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.499 1.624 -6.513 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.388 4.197 -8.673 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.198 2.457 -8.434 1.00 0.00 H new ATOM 685 N PHE A 70 7.051 2.564 -3.840 1.00 0.00 N ATOM 686 CA PHE A 70 5.602 2.674 -3.957 1.00 0.00 C ATOM 687 C PHE A 70 5.078 1.784 -5.081 1.00 0.00 C ATOM 688 O PHE A 70 4.101 2.119 -5.751 1.00 0.00 O ATOM 689 CB PHE A 70 5.194 4.128 -4.200 1.00 0.00 C ATOM 690 CG PHE A 70 5.631 5.069 -3.113 1.00 0.00 C ATOM 691 CD1 PHE A 70 4.915 5.164 -1.930 1.00 0.00 C ATOM 692 CD2 PHE A 70 6.757 5.861 -3.273 1.00 0.00 C ATOM 693 CE1 PHE A 70 5.313 6.029 -0.929 1.00 0.00 C ATOM 694 CE2 PHE A 70 7.159 6.728 -2.274 1.00 0.00 C ATOM 695 CZ PHE A 70 6.438 6.812 -1.103 1.00 0.00 C ATOM 0 H PHE A 70 7.380 2.307 -2.909 1.00 0.00 H new ATOM 0 HA PHE A 70 5.160 2.338 -3.019 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.617 4.461 -5.148 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.110 4.180 -4.299 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.035 4.554 -1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.327 5.800 -4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.746 6.093 -0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.038 7.340 -2.412 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.752 7.489 -0.322 1.00 0.00 H new ATOM 705 N LYS A 71 5.735 0.647 -5.281 1.00 0.00 N ATOM 706 CA LYS A 71 5.283 -0.336 -6.259 1.00 0.00 C ATOM 707 C LYS A 71 4.436 -1.417 -5.595 1.00 0.00 C ATOM 708 O LYS A 71 4.965 -2.357 -5.002 1.00 0.00 O ATOM 709 CB LYS A 71 6.478 -0.968 -6.976 1.00 0.00 C ATOM 710 CG LYS A 71 7.276 -0.002 -7.840 1.00 0.00 C ATOM 711 CD LYS A 71 6.500 0.394 -9.089 1.00 0.00 C ATOM 712 CE LYS A 71 6.365 -0.777 -10.051 1.00 0.00 C ATOM 713 NZ LYS A 71 7.678 -1.180 -10.625 1.00 0.00 N ATOM 0 H LYS A 71 6.583 0.383 -4.779 1.00 0.00 H new ATOM 0 HA LYS A 71 4.665 0.180 -6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.143 -1.405 -6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.120 -1.785 -7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.519 0.890 -7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.221 -0.463 -8.127 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.510 0.751 -8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.007 1.220 -9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.921 -1.625 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.684 -0.507 -10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.523 -1.794 -11.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.203 -0.332 -10.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.227 -1.696 -9.908 1.00 0.00 H new ATOM 727 N LEU A 72 3.120 -1.276 -5.697 1.00 0.00 N ATOM 728 CA LEU A 72 2.199 -2.242 -5.110 1.00 0.00 C ATOM 729 C LEU A 72 1.234 -2.786 -6.160 1.00 0.00 C ATOM 730 O LEU A 72 0.844 -2.074 -7.086 1.00 0.00 O ATOM 731 CB LEU A 72 1.423 -1.602 -3.951 1.00 0.00 C ATOM 732 CG LEU A 72 2.290 -0.914 -2.888 1.00 0.00 C ATOM 733 CD1 LEU A 72 2.419 0.570 -3.200 1.00 0.00 C ATOM 734 CD2 LEU A 72 1.671 -1.126 -1.514 1.00 0.00 C ATOM 0 H LEU A 72 2.666 -0.501 -6.181 1.00 0.00 H new ATOM 0 HA LEU A 72 2.783 -3.077 -4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.728 -0.869 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.824 -2.373 -3.466 1.00 0.00 H new ATOM 0 HG LEU A 72 3.289 -1.350 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.036 1.049 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.884 0.697 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.430 1.028 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.286 -0.638 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.668 -0.699 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.614 -2.194 -1.301 1.00 0.00 H new ATOM 746 N LEU A 73 0.852 -4.048 -6.008 1.00 0.00 N ATOM 747 CA LEU A 73 0.058 -4.735 -7.021 1.00 0.00 C ATOM 748 C LEU A 73 -1.146 -5.429 -6.393 1.00 0.00 C ATOM 749 O LEU A 73 -1.147 -5.735 -5.199 1.00 0.00 O ATOM 750 CB LEU A 73 0.919 -5.757 -7.766 1.00 0.00 C ATOM 751 CG LEU A 73 2.369 -5.351 -8.026 1.00 0.00 C ATOM 752 CD1 LEU A 73 3.264 -5.815 -6.886 1.00 0.00 C ATOM 753 CD2 LEU A 73 2.855 -5.918 -9.351 1.00 0.00 C ATOM 0 H LEU A 73 1.079 -4.617 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.305 -3.990 -7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.920 -6.686 -7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.445 -5.971 -8.724 1.00 0.00 H new ATOM 0 HG LEU A 73 2.417 -4.263 -8.081 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.293 -5.518 -7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.931 -5.360 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.210 -6.900 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.889 -5.618 -9.518 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.793 -7.006 -9.326 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.232 -5.537 -10.160 1.00 0.00 H new ATOM 765 N THR A 74 -2.168 -5.678 -7.204 1.00 0.00 N ATOM 766 CA THR A 74 -3.369 -6.360 -6.733 1.00 0.00 C ATOM 767 C THR A 74 -4.251 -6.787 -7.900 1.00 0.00 C ATOM 768 O THR A 74 -4.188 -6.207 -8.984 1.00 0.00 O ATOM 769 CB THR A 74 -4.187 -5.469 -5.781 1.00 0.00 C ATOM 770 OG1 THR A 74 -5.299 -6.212 -5.264 1.00 0.00 O ATOM 771 CG2 THR A 74 -4.702 -4.238 -6.512 1.00 0.00 C ATOM 0 H THR A 74 -2.190 -5.418 -8.190 1.00 0.00 H new ATOM 0 HA THR A 74 -3.037 -7.245 -6.190 1.00 0.00 H new ATOM 0 HB THR A 74 -3.541 -5.150 -4.963 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.670 -5.747 -4.485 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.278 -3.620 -5.823 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.859 -3.664 -6.896 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.339 -4.547 -7.341 1.00 0.00 H new ATOM 779 N ASP A 75 -5.072 -7.805 -7.672 1.00 0.00 N ATOM 780 CA ASP A 75 -6.075 -8.213 -8.649 1.00 0.00 C ATOM 781 C ASP A 75 -7.364 -8.647 -7.957 1.00 0.00 C ATOM 782 O ASP A 75 -7.508 -9.804 -7.561 1.00 0.00 O ATOM 783 CB ASP A 75 -5.540 -9.345 -9.530 1.00 0.00 C ATOM 784 CG ASP A 75 -6.483 -9.773 -10.646 1.00 0.00 C ATOM 785 OD1 ASP A 75 -7.578 -9.268 -10.698 1.00 0.00 O ATOM 786 OD2 ASP A 75 -6.048 -10.478 -11.525 1.00 0.00 O ATOM 0 H ASP A 75 -5.063 -8.364 -6.819 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.297 -7.354 -9.282 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.594 -9.030 -9.971 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.326 -10.209 -8.900 1.00 0.00 H new ATOM 791 N GLY A 76 -8.297 -7.713 -7.815 1.00 0.00 N ATOM 792 CA GLY A 76 -9.556 -8.014 -7.159 1.00 0.00 C ATOM 793 C GLY A 76 -9.371 -8.465 -5.725 1.00 0.00 C ATOM 794 O GLY A 76 -10.216 -9.170 -5.174 1.00 0.00 O ATOM 0 H GLY A 76 -8.204 -6.752 -8.143 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.193 -7.129 -7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.075 -8.793 -7.717 1.00 0.00 H new ATOM 798 N GLU A 77 -8.259 -8.060 -5.117 1.00 0.00 N ATOM 799 CA GLU A 77 -7.872 -8.575 -3.809 1.00 0.00 C ATOM 800 C GLU A 77 -7.171 -7.499 -2.987 1.00 0.00 C ATOM 801 O GLU A 77 -7.150 -6.327 -3.366 1.00 0.00 O ATOM 802 CB GLU A 77 -6.967 -9.799 -3.960 1.00 0.00 C ATOM 803 CG GLU A 77 -7.655 -11.023 -4.548 1.00 0.00 C ATOM 804 CD GLU A 77 -6.696 -12.171 -4.695 1.00 0.00 C ATOM 805 OE1 GLU A 77 -5.546 -12.006 -4.366 1.00 0.00 O ATOM 806 OE2 GLU A 77 -7.135 -13.247 -5.030 1.00 0.00 O ATOM 0 H GLU A 77 -7.611 -7.377 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.778 -8.873 -3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.121 -9.534 -4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.563 -10.060 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.485 -11.320 -3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.078 -10.773 -5.521 1.00 0.00 H new ATOM 813 N TRP A 78 -6.598 -7.903 -1.859 1.00 0.00 N ATOM 814 CA TRP A 78 -5.793 -7.001 -1.043 1.00 0.00 C ATOM 815 C TRP A 78 -4.548 -6.550 -1.799 1.00 0.00 C ATOM 816 O TRP A 78 -4.028 -7.274 -2.648 1.00 0.00 O ATOM 817 CB TRP A 78 -5.391 -7.683 0.265 1.00 0.00 C ATOM 818 CG TRP A 78 -4.341 -8.737 0.086 1.00 0.00 C ATOM 819 CD1 TRP A 78 -4.062 -9.433 -1.055 1.00 0.00 C ATOM 820 CD2 TRP A 78 -3.430 -9.217 1.082 1.00 0.00 C ATOM 821 NE1 TRP A 78 -3.033 -10.315 -0.830 1.00 0.00 N ATOM 822 CE2 TRP A 78 -2.627 -10.201 0.474 1.00 0.00 C ATOM 823 CE3 TRP A 78 -3.213 -8.908 2.428 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -1.626 -10.878 1.166 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -2.219 -9.581 3.113 1.00 0.00 C ATOM 826 CH2 TRP A 78 -1.435 -10.556 2.482 1.00 0.00 C ATOM 0 H TRP A 78 -6.676 -8.850 -1.488 1.00 0.00 H new ATOM 0 HA TRP A 78 -6.396 -6.122 -0.815 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.024 -6.929 0.962 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.274 -8.133 0.718 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -4.575 -9.308 -1.997 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -2.636 -10.951 -1.521 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.811 -8.157 2.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -1.022 -11.631 0.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -2.043 -9.351 4.154 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.665 -11.063 3.045 1.00 0.00 H new ATOM 837 N VAL A 79 -4.073 -5.349 -1.484 1.00 0.00 N ATOM 838 CA VAL A 79 -2.866 -4.816 -2.108 1.00 0.00 C ATOM 839 C VAL A 79 -1.617 -5.265 -1.356 1.00 0.00 C ATOM 840 O VAL A 79 -1.580 -5.245 -0.126 1.00 0.00 O ATOM 841 CB VAL A 79 -2.893 -3.277 -2.167 1.00 0.00 C ATOM 842 CG1 VAL A 79 -1.593 -2.744 -2.752 1.00 0.00 C ATOM 843 CG2 VAL A 79 -4.080 -2.797 -2.987 1.00 0.00 C ATOM 0 H VAL A 79 -4.505 -4.727 -0.801 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.836 -5.207 -3.125 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.997 -2.895 -1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.629 -1.655 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.757 -3.060 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.461 -3.135 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.084 -1.707 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.004 -3.189 -4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.004 -3.150 -2.530 1.00 0.00 H new ATOM 853 N TRP A 80 -0.597 -5.667 -2.104 1.00 0.00 N ATOM 854 CA TRP A 80 0.685 -6.037 -1.514 1.00 0.00 C ATOM 855 C TRP A 80 1.833 -5.319 -2.214 1.00 0.00 C ATOM 856 O TRP A 80 1.684 -4.834 -3.336 1.00 0.00 O ATOM 857 CB TRP A 80 0.890 -7.552 -1.584 1.00 0.00 C ATOM 858 CG TRP A 80 0.981 -8.078 -2.984 1.00 0.00 C ATOM 859 CD1 TRP A 80 2.109 -8.191 -3.741 1.00 0.00 C ATOM 860 CD2 TRP A 80 -0.096 -8.566 -3.793 1.00 0.00 C ATOM 861 NE1 TRP A 80 1.803 -8.715 -4.971 1.00 0.00 N ATOM 862 CE2 TRP A 80 0.453 -8.956 -5.027 1.00 0.00 C ATOM 863 CE3 TRP A 80 -1.474 -8.710 -3.591 1.00 0.00 C ATOM 864 CZ2 TRP A 80 -0.319 -9.477 -6.053 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -2.249 -9.233 -4.620 1.00 0.00 C ATOM 866 CH2 TRP A 80 -1.688 -9.607 -5.816 1.00 0.00 C ATOM 0 H TRP A 80 -0.632 -5.745 -3.120 1.00 0.00 H new ATOM 0 HA TRP A 80 0.675 -5.732 -0.468 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.802 -7.813 -1.046 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.065 -8.047 -1.071 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.100 -7.909 -3.419 1.00 0.00 H new ATOM 0 HE1 TRP A 80 2.470 -8.896 -5.721 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.926 -8.420 -2.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.120 -9.770 -6.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -3.313 -9.347 -4.476 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.321 -10.011 -6.592 1.00 0.00 H new ATOM 877 N VAL A 81 2.980 -5.254 -1.544 1.00 0.00 N ATOM 878 CA VAL A 81 4.148 -4.575 -2.093 1.00 0.00 C ATOM 879 C VAL A 81 4.997 -5.527 -2.929 1.00 0.00 C ATOM 880 O VAL A 81 5.279 -6.649 -2.511 1.00 0.00 O ATOM 881 CB VAL A 81 5.022 -3.963 -0.982 1.00 0.00 C ATOM 882 CG1 VAL A 81 6.274 -3.335 -1.573 1.00 0.00 C ATOM 883 CG2 VAL A 81 4.232 -2.933 -0.190 1.00 0.00 C ATOM 0 H VAL A 81 3.125 -5.663 -0.621 1.00 0.00 H new ATOM 0 HA VAL A 81 3.774 -3.773 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 81 5.325 -4.761 -0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.879 -2.908 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.851 -4.097 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.991 -2.549 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.865 -2.511 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.900 -2.138 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.365 -3.411 0.265 1.00 0.00 H new ATOM 893 N GLU A 82 5.401 -5.069 -4.109 1.00 0.00 N ATOM 894 CA GLU A 82 6.232 -5.875 -4.996 1.00 0.00 C ATOM 895 C GLU A 82 7.482 -6.366 -4.272 1.00 0.00 C ATOM 896 O GLU A 82 8.180 -5.589 -3.620 1.00 0.00 O ATOM 897 CB GLU A 82 6.621 -5.076 -6.242 1.00 0.00 C ATOM 898 CG GLU A 82 7.445 -5.856 -7.257 1.00 0.00 C ATOM 899 CD GLU A 82 7.756 -5.019 -8.466 1.00 0.00 C ATOM 900 OE1 GLU A 82 7.313 -3.896 -8.519 1.00 0.00 O ATOM 901 OE2 GLU A 82 8.526 -5.460 -9.286 1.00 0.00 O ATOM 0 H GLU A 82 5.167 -4.145 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 82 5.651 -6.744 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.713 -4.718 -6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.185 -4.196 -5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.374 -6.190 -6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.900 -6.750 -7.561 1.00 0.00 H new ATOM 908 N GLY A 83 7.760 -7.661 -4.391 1.00 0.00 N ATOM 909 CA GLY A 83 8.973 -8.215 -3.822 1.00 0.00 C ATOM 910 C GLY A 83 8.738 -8.857 -2.469 1.00 0.00 C ATOM 911 O GLY A 83 9.583 -9.600 -1.969 1.00 0.00 O ATOM 0 H GLY A 83 7.166 -8.336 -4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.386 -8.957 -4.506 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.717 -7.425 -3.722 1.00 0.00 H new ATOM 915 N TYR A 84 7.587 -8.566 -1.871 1.00 0.00 N ATOM 916 CA TYR A 84 7.225 -9.150 -0.585 1.00 0.00 C ATOM 917 C TYR A 84 6.124 -10.191 -0.749 1.00 0.00 C ATOM 918 O TYR A 84 5.204 -10.271 0.066 1.00 0.00 O ATOM 919 CB TYR A 84 6.781 -8.060 0.392 1.00 0.00 C ATOM 920 CG TYR A 84 7.871 -7.072 0.749 1.00 0.00 C ATOM 921 CD1 TYR A 84 8.823 -7.383 1.708 1.00 0.00 C ATOM 922 CD2 TYR A 84 7.942 -5.835 0.127 1.00 0.00 C ATOM 923 CE1 TYR A 84 9.821 -6.486 2.038 1.00 0.00 C ATOM 924 CE2 TYR A 84 8.936 -4.931 0.449 1.00 0.00 C ATOM 925 CZ TYR A 84 9.874 -5.260 1.406 1.00 0.00 C ATOM 926 OH TYR A 84 10.864 -4.363 1.732 1.00 0.00 O ATOM 0 H TYR A 84 6.889 -7.929 -2.257 1.00 0.00 H new ATOM 0 HA TYR A 84 8.107 -9.646 -0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 84 5.941 -7.518 -0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 84 6.418 -8.531 1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 84 8.784 -8.341 2.205 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.208 -5.574 -0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.556 -6.743 2.787 1.00 0.00 H new ATOM 0 HE2 TYR A 84 8.979 -3.972 -0.046 1.00 0.00 H new ATOM 0 HH TYR A 84 10.759 -3.550 1.195 1.00 0.00 H new ATOM 936 N GLU A 85 6.222 -10.987 -1.809 1.00 0.00 N ATOM 937 CA GLU A 85 5.394 -12.179 -1.949 1.00 0.00 C ATOM 938 C GLU A 85 5.577 -13.111 -0.755 1.00 0.00 C ATOM 939 O GLU A 85 4.682 -13.887 -0.418 1.00 0.00 O ATOM 940 CB GLU A 85 5.729 -12.915 -3.250 1.00 0.00 C ATOM 941 CG GLU A 85 5.512 -12.091 -4.510 1.00 0.00 C ATOM 942 CD GLU A 85 6.556 -11.017 -4.647 1.00 0.00 C ATOM 943 OE1 GLU A 85 7.719 -11.339 -4.623 1.00 0.00 O ATOM 944 OE2 GLU A 85 6.191 -9.891 -4.889 1.00 0.00 O ATOM 0 H GLU A 85 6.867 -10.828 -2.583 1.00 0.00 H new ATOM 0 HA GLU A 85 4.351 -11.864 -1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.770 -13.235 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.120 -13.817 -3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.541 -12.743 -5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.521 -11.637 -4.484 1.00 0.00 H new ATOM 951 N GLU A 86 6.741 -13.028 -0.118 1.00 0.00 N ATOM 952 CA GLU A 86 6.987 -13.752 1.123 1.00 0.00 C ATOM 953 C GLU A 86 6.080 -13.242 2.239 1.00 0.00 C ATOM 954 O GLU A 86 6.079 -13.778 3.348 1.00 0.00 O ATOM 955 CB GLU A 86 8.455 -13.628 1.536 1.00 0.00 C ATOM 956 CG GLU A 86 8.899 -12.209 1.861 1.00 0.00 C ATOM 957 CD GLU A 86 10.362 -12.158 2.200 1.00 0.00 C ATOM 958 OE1 GLU A 86 11.003 -13.180 2.141 1.00 0.00 O ATOM 959 OE2 GLU A 86 10.867 -11.079 2.406 1.00 0.00 O ATOM 0 H GLU A 86 7.529 -12.466 -0.441 1.00 0.00 H new ATOM 0 HA GLU A 86 6.761 -14.804 0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.629 -14.259 2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.080 -14.016 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.698 -11.559 1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.316 -11.826 2.699 1.00 0.00 H new ATOM 966 N HIS A 87 5.311 -12.199 1.938 1.00 0.00 N ATOM 967 CA HIS A 87 4.355 -11.655 2.897 1.00 0.00 C ATOM 968 C HIS A 87 2.925 -11.803 2.383 1.00 0.00 C ATOM 969 O HIS A 87 2.022 -11.086 2.813 1.00 0.00 O ATOM 970 CB HIS A 87 4.659 -10.182 3.188 1.00 0.00 C ATOM 971 CG HIS A 87 5.968 -9.963 3.880 1.00 0.00 C ATOM 972 ND1 HIS A 87 6.483 -8.706 4.117 1.00 0.00 N ATOM 973 CD2 HIS A 87 6.869 -10.840 4.383 1.00 0.00 C ATOM 974 CE1 HIS A 87 7.644 -8.821 4.739 1.00 0.00 C ATOM 975 NE2 HIS A 87 7.900 -10.104 4.911 1.00 0.00 N ATOM 0 H HIS A 87 5.331 -11.715 1.040 1.00 0.00 H new ATOM 0 HA HIS A 87 4.451 -12.222 3.823 1.00 0.00 H new ATOM 0 HB2 HIS A 87 4.657 -9.628 2.250 1.00 0.00 H new ATOM 0 HB3 HIS A 87 3.859 -9.770 3.803 1.00 0.00 H new ATOM 0 HD2 HIS A 87 6.791 -11.917 4.371 1.00 0.00 H new ATOM 0 HE1 HIS A 87 8.276 -8.003 5.053 1.00 0.00 H new ATOM 0 HE2 HIS A 87 8.730 -10.487 5.363 1.00 0.00 H new ATOM 983 N ILE A 88 2.729 -12.738 1.458 1.00 0.00 N ATOM 984 CA ILE A 88 1.399 -13.033 0.939 1.00 0.00 C ATOM 985 C ILE A 88 0.852 -14.327 1.534 1.00 0.00 C ATOM 986 O ILE A 88 1.399 -15.405 1.308 1.00 0.00 O ATOM 987 CB ILE A 88 1.403 -13.142 -0.596 1.00 0.00 C ATOM 988 CG1 ILE A 88 1.805 -11.806 -1.226 1.00 0.00 C ATOM 989 CG2 ILE A 88 0.037 -13.582 -1.101 1.00 0.00 C ATOM 990 CD1 ILE A 88 1.952 -11.859 -2.730 1.00 0.00 C ATOM 0 H ILE A 88 3.475 -13.304 1.053 1.00 0.00 H new ATOM 0 HA ILE A 88 0.755 -12.203 1.230 1.00 0.00 H new ATOM 0 HB ILE A 88 2.136 -13.894 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.058 -11.055 -0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.749 -11.479 -0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.057 -13.654 -2.188 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.211 -14.555 -0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.715 -12.852 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.238 -10.875 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.720 -12.585 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.003 -12.155 -3.178 1.00 0.00 H new ATOM 1002 N GLY A 89 -0.233 -14.211 2.292 1.00 0.00 N ATOM 1003 CA GLY A 89 -0.782 -15.364 2.981 1.00 0.00 C ATOM 1004 C GLY A 89 -0.331 -15.444 4.427 1.00 0.00 C ATOM 1005 O GLY A 89 -0.895 -16.198 5.221 1.00 0.00 O ATOM 0 H GLY A 89 -0.742 -13.340 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.871 -15.321 2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.482 -16.273 2.459 1.00 0.00 H new ATOM 1009 N LYS A 90 0.691 -14.667 4.771 1.00 0.00 N ATOM 1010 CA LYS A 90 1.237 -14.671 6.122 1.00 0.00 C ATOM 1011 C LYS A 90 0.399 -13.796 7.050 1.00 0.00 C ATOM 1012 O LYS A 90 -0.593 -13.203 6.629 1.00 0.00 O ATOM 1013 CB LYS A 90 2.689 -14.196 6.116 1.00 0.00 C ATOM 1014 CG LYS A 90 3.667 -15.170 5.472 1.00 0.00 C ATOM 1015 CD LYS A 90 3.485 -15.219 3.962 1.00 0.00 C ATOM 1016 CE LYS A 90 4.255 -16.378 3.348 1.00 0.00 C ATOM 1017 NZ LYS A 90 4.051 -16.465 1.876 1.00 0.00 N ATOM 0 H LYS A 90 1.158 -14.025 4.130 1.00 0.00 H new ATOM 0 HA LYS A 90 1.206 -15.695 6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.745 -13.243 5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.002 -14.011 7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.689 -14.872 5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.521 -16.166 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.426 -15.317 3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.824 -14.281 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.318 -16.260 3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.938 -17.311 3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.128 -17.457 1.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.107 -16.101 1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.775 -15.898 1.391 1.00 0.00 H new ATOM 1031 N GLN A 91 0.807 -13.721 8.313 1.00 0.00 N ATOM 1032 CA GLN A 91 0.101 -12.907 9.296 1.00 0.00 C ATOM 1033 C GLN A 91 1.085 -12.114 10.151 1.00 0.00 C ATOM 1034 O GLN A 91 1.162 -12.307 11.366 1.00 0.00 O ATOM 1035 CB GLN A 91 -0.775 -13.787 10.191 1.00 0.00 C ATOM 1036 CG GLN A 91 -1.687 -13.009 11.124 1.00 0.00 C ATOM 1037 CD GLN A 91 -2.538 -13.918 11.992 1.00 0.00 C ATOM 1038 OE1 GLN A 91 -2.548 -15.139 11.813 1.00 0.00 O ATOM 1039 NE2 GLN A 91 -3.262 -13.326 12.936 1.00 0.00 N ATOM 0 H GLN A 91 1.622 -14.213 8.679 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.536 -12.205 8.757 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -1.385 -14.434 9.561 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.132 -14.435 10.786 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.084 -12.363 11.762 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.336 -12.361 10.536 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.223 -12.313 13.048 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.857 -13.885 13.548 1.00 0.00 H new ATOM 1048 N LEU A 92 1.835 -11.224 9.512 1.00 0.00 N ATOM 1049 CA LEU A 92 2.873 -10.463 10.199 1.00 0.00 C ATOM 1050 C LEU A 92 2.311 -9.167 10.771 1.00 0.00 C ATOM 1051 O LEU A 92 1.316 -8.625 10.285 1.00 0.00 O ATOM 1052 CB LEU A 92 4.036 -10.167 9.242 1.00 0.00 C ATOM 1053 CG LEU A 92 4.737 -11.402 8.664 1.00 0.00 C ATOM 1054 CD1 LEU A 92 5.811 -10.978 7.673 1.00 0.00 C ATOM 1055 CD2 LEU A 92 5.341 -12.221 9.796 1.00 0.00 C ATOM 0 H LEU A 92 1.744 -11.011 8.519 1.00 0.00 H new ATOM 0 HA LEU A 92 3.245 -11.065 11.028 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.661 -9.562 8.416 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.775 -9.563 9.769 1.00 0.00 H new ATOM 0 HG LEU A 92 4.009 -12.018 8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.303 -11.863 7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.354 -10.414 6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.547 -10.354 8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.839 -13.099 9.384 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.066 -11.613 10.338 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.551 -12.538 10.477 1.00 0.00 H new ATOM 1067 N PRO A 93 2.960 -8.653 11.825 1.00 0.00 N ATOM 1068 CA PRO A 93 2.567 -7.393 12.460 1.00 0.00 C ATOM 1069 C PRO A 93 2.793 -6.189 11.550 1.00 0.00 C ATOM 1070 O PRO A 93 3.577 -6.256 10.601 1.00 0.00 O ATOM 1071 CB PRO A 93 3.438 -7.325 13.718 1.00 0.00 C ATOM 1072 CG PRO A 93 4.634 -8.151 13.386 1.00 0.00 C ATOM 1073 CD PRO A 93 4.117 -9.273 12.525 1.00 0.00 C ATOM 0 HA PRO A 93 1.501 -7.364 12.686 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.717 -6.298 13.953 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.912 -7.719 14.587 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.383 -7.563 12.857 1.00 0.00 H new ATOM 0 HG3 PRO A 93 5.109 -8.535 14.289 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.873 -9.624 11.822 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.814 -10.133 13.122 1.00 0.00 H new ATOM 1081 N LEU A 94 2.104 -5.092 11.845 1.00 0.00 N ATOM 1082 CA LEU A 94 2.177 -3.896 11.012 1.00 0.00 C ATOM 1083 C LEU A 94 3.626 -3.547 10.688 1.00 0.00 C ATOM 1084 O LEU A 94 3.949 -3.187 9.556 1.00 0.00 O ATOM 1085 CB LEU A 94 1.485 -2.720 11.710 1.00 0.00 C ATOM 1086 CG LEU A 94 1.469 -1.408 10.916 1.00 0.00 C ATOM 1087 CD1 LEU A 94 0.684 -1.589 9.623 1.00 0.00 C ATOM 1088 CD2 LEU A 94 0.857 -0.305 11.767 1.00 0.00 C ATOM 0 H LEU A 94 1.489 -5.006 12.654 1.00 0.00 H new ATOM 0 HA LEU A 94 1.660 -4.099 10.074 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.456 -3.004 11.932 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.980 -2.542 12.665 1.00 0.00 H new ATOM 0 HG LEU A 94 2.490 -1.127 10.659 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.679 -0.652 9.066 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.152 -2.367 9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.341 -1.878 9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.846 0.627 11.202 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.163 -0.578 12.037 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.449 -0.173 12.673 1.00 0.00 H new ATOM 1100 N ASN A 95 4.494 -3.657 11.688 1.00 0.00 N ATOM 1101 CA ASN A 95 5.907 -3.339 11.512 1.00 0.00 C ATOM 1102 C ASN A 95 6.535 -4.226 10.441 1.00 0.00 C ATOM 1103 O ASN A 95 7.374 -3.775 9.662 1.00 0.00 O ATOM 1104 CB ASN A 95 6.672 -3.464 12.816 1.00 0.00 C ATOM 1105 CG ASN A 95 6.390 -2.356 13.793 1.00 0.00 C ATOM 1106 OD1 ASN A 95 5.919 -1.276 13.417 1.00 0.00 O ATOM 1107 ND2 ASN A 95 6.750 -2.588 15.029 1.00 0.00 N ATOM 0 H ASN A 95 4.244 -3.964 12.628 1.00 0.00 H new ATOM 0 HA ASN A 95 5.969 -2.301 11.184 1.00 0.00 H new ATOM 0 HB2 ASN A 95 6.425 -4.418 13.282 1.00 0.00 H new ATOM 0 HB3 ASN A 95 7.740 -3.482 12.600 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.647 -1.859 15.735 1.00 0.00 H new ATOM 0 HD22 ASN A 95 7.133 -3.498 15.286 1.00 0.00 H new ATOM 1114 N GLN A 96 6.123 -5.489 10.411 1.00 0.00 N ATOM 1115 CA GLN A 96 6.669 -6.448 9.460 1.00 0.00 C ATOM 1116 C GLN A 96 5.680 -6.721 8.331 1.00 0.00 C ATOM 1117 O GLN A 96 5.827 -7.685 7.581 1.00 0.00 O ATOM 1118 CB GLN A 96 7.028 -7.760 10.163 1.00 0.00 C ATOM 1119 CG GLN A 96 8.030 -7.605 11.295 1.00 0.00 C ATOM 1120 CD GLN A 96 9.383 -7.121 10.808 1.00 0.00 C ATOM 1121 OE1 GLN A 96 9.909 -7.612 9.804 1.00 0.00 O ATOM 1122 NE2 GLN A 96 9.955 -6.156 11.517 1.00 0.00 N ATOM 0 H GLN A 96 5.413 -5.872 11.035 1.00 0.00 H new ATOM 0 HA GLN A 96 7.574 -6.015 9.033 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.117 -8.209 10.558 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.432 -8.455 9.427 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.638 -6.901 12.029 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.151 -8.562 11.803 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.484 -5.780 12.340 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.866 -5.790 11.239 1.00 0.00 H new ATOM 1131 N ALA A 97 4.671 -5.862 8.216 1.00 0.00 N ATOM 1132 CA ALA A 97 3.621 -6.048 7.223 1.00 0.00 C ATOM 1133 C ALA A 97 3.895 -5.218 5.973 1.00 0.00 C ATOM 1134 O ALA A 97 4.310 -4.061 6.062 1.00 0.00 O ATOM 1135 CB ALA A 97 2.266 -5.684 7.813 1.00 0.00 C ATOM 0 H ALA A 97 4.560 -5.032 8.798 1.00 0.00 H new ATOM 0 HA ALA A 97 3.609 -7.099 6.935 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.491 -5.828 7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.060 -6.322 8.672 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.275 -4.641 8.130 1.00 0.00 H new ATOM 1141 N ARG A 98 3.662 -5.816 4.808 1.00 0.00 N ATOM 1142 CA ARG A 98 3.842 -5.118 3.542 1.00 0.00 C ATOM 1143 C ARG A 98 2.647 -5.343 2.622 1.00 0.00 C ATOM 1144 O ARG A 98 2.803 -5.515 1.414 1.00 0.00 O ATOM 1145 CB ARG A 98 5.150 -5.488 2.859 1.00 0.00 C ATOM 1146 CG ARG A 98 6.395 -5.273 3.705 1.00 0.00 C ATOM 1147 CD ARG A 98 6.743 -3.846 3.931 1.00 0.00 C ATOM 1148 NE ARG A 98 8.005 -3.636 4.622 1.00 0.00 N ATOM 1149 CZ ARG A 98 8.147 -3.599 5.961 1.00 0.00 C ATOM 1150 NH1 ARG A 98 7.107 -3.720 6.756 1.00 0.00 N ATOM 1151 NH2 ARG A 98 9.359 -3.414 6.456 1.00 0.00 N ATOM 0 H ARG A 98 3.348 -6.782 4.716 1.00 0.00 H new ATOM 0 HA ARG A 98 3.900 -4.053 3.766 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.105 -6.536 2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.244 -4.903 1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.251 -5.757 4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.238 -5.768 3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.782 -3.337 2.968 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.945 -3.377 4.507 1.00 0.00 H new ATOM 0 HE ARG A 98 8.842 -3.508 4.053 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.175 -3.844 6.361 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.232 -3.690 7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.155 -3.304 5.828 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.498 -3.381 7.466 1.00 0.00 H new ATOM 1165 N ALA A 99 1.451 -5.344 3.203 1.00 0.00 N ATOM 1166 CA ALA A 99 0.232 -5.597 2.443 1.00 0.00 C ATOM 1167 C ALA A 99 -0.995 -5.079 3.186 1.00 0.00 C ATOM 1168 O ALA A 99 -1.101 -5.221 4.406 1.00 0.00 O ATOM 1169 CB ALA A 99 0.087 -7.083 2.155 1.00 0.00 C ATOM 0 H ALA A 99 1.300 -5.173 4.197 1.00 0.00 H new ATOM 0 HA ALA A 99 0.306 -5.061 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.827 -7.256 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.944 -7.427 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.040 -7.633 3.095 1.00 0.00 H new ATOM 1175 N TRP A 100 -1.919 -4.478 2.446 1.00 0.00 N ATOM 1176 CA TRP A 100 -3.149 -3.955 3.033 1.00 0.00 C ATOM 1177 C TRP A 100 -4.352 -4.278 2.154 1.00 0.00 C ATOM 1178 O TRP A 100 -4.200 -4.661 0.993 1.00 0.00 O ATOM 1179 CB TRP A 100 -3.040 -2.444 3.242 1.00 0.00 C ATOM 1180 CG TRP A 100 -1.828 -2.033 4.024 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -1.780 -1.721 5.349 1.00 0.00 C ATOM 1182 CD2 TRP A 100 -0.492 -1.892 3.528 1.00 0.00 C ATOM 1183 NE1 TRP A 100 -0.497 -1.392 5.711 1.00 0.00 N ATOM 1184 CE2 TRP A 100 0.314 -1.491 4.608 1.00 0.00 C ATOM 1185 CE3 TRP A 100 0.103 -2.067 2.272 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 1.674 -1.261 4.477 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 1.467 -1.837 2.140 1.00 0.00 C ATOM 1188 CH2 TRP A 100 2.230 -1.447 3.211 1.00 0.00 C ATOM 0 H TRP A 100 -1.841 -4.340 1.438 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.292 -4.435 4.001 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -3.019 -1.952 2.270 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.933 -2.092 3.759 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -2.628 -1.731 6.018 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -0.196 -1.119 6.646 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.488 -2.375 1.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 2.277 -0.951 5.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.935 -1.968 1.176 1.00 0.00 H new ATOM 0 HH2 TRP A 100 3.288 -1.280 3.071 1.00 0.00 H new ATOM 1199 N SER A 101 -5.548 -4.118 2.712 1.00 0.00 N ATOM 1200 CA SER A 101 -6.775 -4.444 1.996 1.00 0.00 C ATOM 1201 C SER A 101 -7.350 -3.206 1.313 1.00 0.00 C ATOM 1202 O SER A 101 -7.173 -2.084 1.788 1.00 0.00 O ATOM 1203 CB SER A 101 -7.791 -5.048 2.946 1.00 0.00 C ATOM 1204 OG SER A 101 -9.043 -5.218 2.340 1.00 0.00 O ATOM 0 H SER A 101 -5.693 -3.765 3.658 1.00 0.00 H new ATOM 0 HA SER A 101 -6.539 -5.177 1.224 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.427 -6.012 3.301 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.896 -4.405 3.820 1.00 0.00 H new ATOM 0 HG SER A 101 -9.563 -5.879 2.843 1.00 0.00 H new ATOM 1210 N TRP A 102 -8.037 -3.420 0.198 1.00 0.00 N ATOM 1211 CA TRP A 102 -8.854 -2.374 -0.409 1.00 0.00 C ATOM 1212 C TRP A 102 -9.909 -1.870 0.570 1.00 0.00 C ATOM 1213 O TRP A 102 -10.298 -0.704 0.531 1.00 0.00 O ATOM 1214 CB TRP A 102 -9.525 -2.896 -1.680 1.00 0.00 C ATOM 1215 CG TRP A 102 -8.746 -2.605 -2.927 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -8.291 -3.514 -3.839 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -8.331 -1.318 -3.396 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -7.615 -2.868 -4.848 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -7.627 -1.522 -4.600 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -8.484 -0.014 -2.919 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -7.080 -0.469 -5.329 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -7.942 1.029 -3.643 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -7.246 0.797 -4.838 1.00 0.00 C ATOM 0 H TRP A 102 -8.046 -4.307 -0.305 1.00 0.00 H new ATOM 0 HA TRP A 102 -8.201 -1.541 -0.669 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -9.666 -3.973 -1.591 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.516 -2.451 -1.768 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.440 -4.582 -3.777 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.176 -3.319 -5.651 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.017 0.175 -1.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.544 -0.646 -6.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.056 2.041 -3.283 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.833 1.634 -5.381 1.00 0.00 H new ATOM 1234 N GLU A 103 -10.368 -2.758 1.446 1.00 0.00 N ATOM 1235 CA GLU A 103 -11.325 -2.383 2.481 1.00 0.00 C ATOM 1236 C GLU A 103 -10.674 -1.482 3.524 1.00 0.00 C ATOM 1237 O GLU A 103 -11.315 -0.585 4.073 1.00 0.00 O ATOM 1238 CB GLU A 103 -11.909 -3.630 3.149 1.00 0.00 C ATOM 1239 CG GLU A 103 -12.842 -4.441 2.262 1.00 0.00 C ATOM 1240 CD GLU A 103 -13.295 -5.699 2.951 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -12.845 -5.950 4.042 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -14.174 -6.350 2.436 1.00 0.00 O ATOM 0 H GLU A 103 -10.093 -3.740 1.460 1.00 0.00 H new ATOM 0 HA GLU A 103 -12.135 -1.828 2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.089 -4.270 3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.451 -3.327 4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.710 -3.837 1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.333 -4.696 1.332 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.395 -1.726 3.793 1.00 0.00 N ATOM 1250 CA PHE A 104 -8.616 -0.852 4.661 1.00 0.00 C ATOM 1251 C PHE A 104 -8.399 0.511 4.008 1.00 0.00 C ATOM 1252 O PHE A 104 -8.531 1.550 4.655 1.00 0.00 O ATOM 1253 CB PHE A 104 -7.271 -1.496 5.002 1.00 0.00 C ATOM 1254 CG PHE A 104 -6.408 -0.657 5.901 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -6.625 -0.635 7.271 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -5.378 0.111 5.380 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -5.833 0.137 8.099 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -4.583 0.882 6.206 1.00 0.00 C ATOM 1259 CZ PHE A 104 -4.811 0.895 7.566 1.00 0.00 C ATOM 0 H PHE A 104 -8.877 -2.522 3.422 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.177 -0.704 5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.451 -2.459 5.481 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.730 -1.696 4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.422 -1.228 7.695 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.195 0.107 4.316 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.014 0.147 9.164 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.783 1.474 5.787 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.191 1.498 8.213 1.00 0.00 H new ATOM 1269 N ILE A 105 -8.067 0.496 2.722 1.00 0.00 N ATOM 1270 CA ILE A 105 -7.837 1.729 1.978 1.00 0.00 C ATOM 1271 C ILE A 105 -9.097 2.588 1.936 1.00 0.00 C ATOM 1272 O ILE A 105 -9.041 3.803 2.131 1.00 0.00 O ATOM 1273 CB ILE A 105 -7.373 1.443 0.538 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -5.983 0.801 0.545 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -7.368 2.724 -0.283 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.579 0.210 -0.787 1.00 0.00 C ATOM 0 H ILE A 105 -7.951 -0.356 2.173 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.048 2.270 2.501 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.073 0.745 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.248 1.551 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.958 0.018 1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.038 2.504 -1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.374 3.142 -0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.688 3.445 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.584 -0.226 -0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.292 -0.564 -1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.570 0.993 -1.545 1.00 0.00 H new ATOM 1288 N LYS A 106 -10.233 1.948 1.682 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.509 2.651 1.610 1.00 0.00 C ATOM 1290 C LYS A 106 -11.879 3.244 2.967 1.00 0.00 C ATOM 1291 O LYS A 106 -12.402 4.354 3.047 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.614 1.713 1.124 1.00 0.00 C ATOM 1293 CG LYS A 106 -12.545 1.376 -0.360 1.00 0.00 C ATOM 1294 CD LYS A 106 -13.564 0.309 -0.733 1.00 0.00 C ATOM 1295 CE LYS A 106 -14.987 0.834 -0.609 1.00 0.00 C ATOM 1296 NZ LYS A 106 -15.992 -0.181 -1.024 1.00 0.00 N ATOM 0 H LYS A 106 -10.297 0.943 1.522 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.405 3.467 0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.566 0.787 1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.581 2.169 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.726 2.276 -0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.543 1.028 -0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.386 -0.025 -1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.437 -0.559 -0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.176 1.131 0.423 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.099 1.728 -1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.948 0.216 -0.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.829 -0.446 -2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.903 -1.024 -0.422 1.00 0.00 H new ATOM 1310 N ASN A 107 -11.601 2.495 4.030 1.00 0.00 N ATOM 1311 CA ASN A 107 -11.915 2.942 5.382 1.00 0.00 C ATOM 1312 C ASN A 107 -11.141 4.211 5.730 1.00 0.00 C ATOM 1313 O ASN A 107 -11.672 5.119 6.366 1.00 0.00 O ATOM 1314 CB ASN A 107 -11.638 1.856 6.405 1.00 0.00 C ATOM 1315 CG ASN A 107 -12.669 0.763 6.424 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -13.798 0.940 5.950 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -12.317 -0.336 7.041 1.00 0.00 N ATOM 0 H ASN A 107 -11.159 1.577 3.981 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.981 3.167 5.412 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.661 1.418 6.200 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.583 2.308 7.395 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.987 -1.097 7.149 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.372 -0.431 7.414 1.00 0.00 H new ATOM 1324 N ARG A 108 -9.883 4.263 5.305 1.00 0.00 N ATOM 1325 CA ARG A 108 -9.037 5.420 5.568 1.00 0.00 C ATOM 1326 C ARG A 108 -9.447 6.605 4.698 1.00 0.00 C ATOM 1327 O ARG A 108 -9.394 7.755 5.131 1.00 0.00 O ATOM 1328 CB ARG A 108 -7.557 5.097 5.414 1.00 0.00 C ATOM 1329 CG ARG A 108 -7.012 4.101 6.425 1.00 0.00 C ATOM 1330 CD ARG A 108 -7.027 4.583 7.829 1.00 0.00 C ATOM 1331 NE ARG A 108 -6.409 3.678 8.785 1.00 0.00 N ATOM 1332 CZ ARG A 108 -6.446 3.834 10.122 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -7.035 4.877 10.665 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -5.852 2.924 10.875 1.00 0.00 N ATOM 0 H ARG A 108 -9.428 3.518 4.778 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.187 5.701 6.610 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.388 4.705 4.411 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.987 6.023 5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.595 3.182 6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.988 3.847 6.151 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.515 5.544 7.875 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.060 4.757 8.129 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.912 2.867 8.416 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.472 5.582 10.072 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.055 4.981 11.680 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.382 2.130 10.440 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.864 3.016 11.891 1.00 0.00 H new ATOM 1348 N LEU A 109 -9.856 6.313 3.467 1.00 0.00 N ATOM 1349 CA LEU A 109 -10.357 7.343 2.564 1.00 0.00 C ATOM 1350 C LEU A 109 -11.662 7.936 3.087 1.00 0.00 C ATOM 1351 O LEU A 109 -11.956 9.110 2.864 1.00 0.00 O ATOM 1352 CB LEU A 109 -10.555 6.766 1.158 1.00 0.00 C ATOM 1353 CG LEU A 109 -9.263 6.425 0.404 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -9.591 5.700 -0.894 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -8.484 7.702 0.127 1.00 0.00 C ATOM 0 H LEU A 109 -9.850 5.372 3.072 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.618 8.143 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.161 5.863 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.124 7.482 0.566 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.648 5.765 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.667 5.463 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.128 4.778 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -10.213 6.339 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -7.566 7.459 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.091 8.374 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.236 8.189 1.070 1.00 0.00 H new ATOM 1367 N LYS A 110 -12.442 7.116 3.783 1.00 0.00 N ATOM 1368 CA LYS A 110 -13.665 7.585 4.426 1.00 0.00 C ATOM 1369 C LYS A 110 -13.342 8.487 5.612 1.00 0.00 C ATOM 1370 O LYS A 110 -14.073 9.435 5.897 1.00 0.00 O ATOM 1371 CB LYS A 110 -14.519 6.400 4.879 1.00 0.00 C ATOM 1372 CG LYS A 110 -15.214 5.655 3.747 1.00 0.00 C ATOM 1373 CD LYS A 110 -16.002 4.464 4.269 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.695 3.719 3.138 1.00 0.00 C ATOM 1375 NZ LYS A 110 -17.457 2.540 3.632 1.00 0.00 N ATOM 0 H LYS A 110 -12.250 6.123 3.917 1.00 0.00 H new ATOM 0 HA LYS A 110 -14.231 8.166 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.886 5.699 5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.274 6.759 5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -15.884 6.334 3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.473 5.314 3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.332 3.785 4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.744 4.805 4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.372 4.397 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.952 3.392 2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.914 2.061 2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.807 1.880 4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.183 2.854 4.307 1.00 0.00 H new ATOM 1389 N GLU A 111 -12.247 8.186 6.300 1.00 0.00 N ATOM 1390 CA GLU A 111 -11.833 8.970 7.459 1.00 0.00 C ATOM 1391 C GLU A 111 -11.376 10.363 7.038 1.00 0.00 C ATOM 1392 O GLU A 111 -11.449 11.314 7.817 1.00 0.00 O ATOM 1393 CB GLU A 111 -10.712 8.254 8.218 1.00 0.00 C ATOM 1394 CG GLU A 111 -11.165 7.025 8.993 1.00 0.00 C ATOM 1395 CD GLU A 111 -10.000 6.332 9.646 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -8.889 6.757 9.440 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -10.229 5.448 10.438 1.00 0.00 O ATOM 0 H GLU A 111 -11.630 7.405 6.076 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.693 9.075 8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.941 7.957 7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.252 8.958 8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.889 7.318 9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.671 6.334 8.319 1.00 0.00 H new ATOM 1404 N LEU A 112 -10.907 10.477 5.801 1.00 0.00 N ATOM 1405 CA LEU A 112 -10.418 11.750 5.281 1.00 0.00 C ATOM 1406 C LEU A 112 -11.376 12.314 4.236 1.00 0.00 C ATOM 1407 O LEU A 112 -11.129 13.373 3.661 1.00 0.00 O ATOM 1408 CB LEU A 112 -9.026 11.575 4.673 1.00 0.00 C ATOM 1409 CG LEU A 112 -8.900 10.513 3.581 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -9.337 11.073 2.236 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -7.472 9.993 3.504 1.00 0.00 C ATOM 0 H LEU A 112 -10.855 9.703 5.138 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.358 12.455 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.709 12.532 4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.330 11.328 5.474 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.556 9.681 3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.240 10.302 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.377 11.395 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.708 11.924 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.401 9.238 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.796 10.817 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.194 9.551 4.461 1.00 0.00 H new