USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 694 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 Single : A 17 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.28) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -1.2 F(o=-2.8!,f=-1.2) USER MOD Single : A 32 THR OG1 : rot 90:sc= 0.984 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -2.95! F(o=-4.4,f=-2.9!) USER MOD Single : A 35 ASN : amide:sc= -4.63! C(o=-4.6!,f=-7!) USER MOD Single : A 36 LYS NZ :NH3+ -162:sc= 0.0191 (180deg=0.00328) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.207 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 33:sc= 0.377 USER MOD Single : A 51 LYS NZ :NH3+ -154:sc= -0.0889 (180deg=-0.51) USER MOD Single : A 52 GLN : amide:sc= -2.75! C(o=-2.8!,f=-3.8!) USER MOD Single : A 53 GLN : amide:sc=-0.00686 X(o=-0.0069,f=-0.11) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -0.709 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc=-0.00567 USER MOD Single : A 78 LYS NZ :NH3+ 156:sc= -0.165 (180deg=-0.829) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -166:sc=-0.00788 (180deg=-0.25) USER MOD Single : A 88 LYS NZ :NH3+ -147:sc= -0.0631 (180deg=-0.545) USER MOD Single : A 91 GLN : amide:sc= -0.998 K(o=-1,f=-5.1!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N GLU A 13 -12.432 -4.990 2.718 1.00 0.00 N ATOM 148 CA GLU A 13 -12.960 -4.144 3.769 1.00 0.00 C ATOM 149 C GLU A 13 -12.331 -2.760 3.688 1.00 0.00 C ATOM 150 O GLU A 13 -11.112 -2.623 3.757 1.00 0.00 O ATOM 151 CB GLU A 13 -12.679 -4.787 5.125 1.00 0.00 C ATOM 152 CG GLU A 13 -13.757 -5.822 5.429 1.00 0.00 C ATOM 153 CD GLU A 13 -14.490 -5.480 6.720 1.00 0.00 C ATOM 154 OE1 GLU A 13 -14.934 -4.316 6.828 1.00 0.00 O ATOM 155 OE2 GLU A 13 -14.593 -6.389 7.572 1.00 0.00 O ATOM 0 HA GLU A 13 -14.038 -4.036 3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.697 -5.260 5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.661 -4.025 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.467 -5.866 4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.305 -6.810 5.514 1.00 0.00 H new ATOM 162 N PRO A 14 -13.170 -1.731 3.542 1.00 0.00 N ATOM 163 CA PRO A 14 -12.756 -0.348 3.448 1.00 0.00 C ATOM 164 C PRO A 14 -12.288 0.137 4.812 1.00 0.00 C ATOM 165 O PRO A 14 -13.056 0.137 5.771 1.00 0.00 O ATOM 166 CB PRO A 14 -14.006 0.406 2.999 1.00 0.00 C ATOM 167 CG PRO A 14 -15.137 -0.431 3.595 1.00 0.00 C ATOM 168 CD PRO A 14 -14.608 -1.856 3.457 1.00 0.00 C ATOM 0 HA PRO A 14 -11.928 -0.199 2.755 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.018 1.429 3.375 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.075 0.465 1.913 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.329 -0.169 4.636 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -16.073 -0.292 3.053 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.996 -2.499 4.247 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.910 -2.299 2.508 1.00 0.00 H new ATOM 176 N VAL A 15 -11.020 0.550 4.898 1.00 0.00 N ATOM 177 CA VAL A 15 -10.456 1.034 6.142 1.00 0.00 C ATOM 178 C VAL A 15 -9.844 2.411 5.929 1.00 0.00 C ATOM 179 O VAL A 15 -10.101 3.059 4.916 1.00 0.00 O ATOM 180 CB VAL A 15 -9.405 0.045 6.640 1.00 0.00 C ATOM 181 CG1 VAL A 15 -9.267 0.171 8.155 1.00 0.00 C ATOM 182 CG2 VAL A 15 -9.834 -1.374 6.284 1.00 0.00 C ATOM 0 H VAL A 15 -10.370 0.555 4.112 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.240 1.120 6.894 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.447 0.263 6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.517 -0.535 8.512 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.961 1.186 8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.225 -0.048 8.627 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.084 -2.081 6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.792 -1.594 6.756 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.933 -1.464 5.202 1.00 0.00 H new ATOM 192 N GLY A 16 -9.029 2.859 6.887 1.00 0.00 N ATOM 193 CA GLY A 16 -8.387 4.155 6.796 1.00 0.00 C ATOM 194 C GLY A 16 -8.396 4.844 8.153 1.00 0.00 C ATOM 195 O GLY A 16 -9.456 5.087 8.724 1.00 0.00 O ATOM 0 H GLY A 16 -8.803 2.336 7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.361 4.037 6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.904 4.774 6.063 1.00 0.00 H new ATOM 199 N ASN A 17 -7.205 5.159 8.669 1.00 0.00 N ATOM 200 CA ASN A 17 -7.081 5.819 9.954 1.00 0.00 C ATOM 201 C ASN A 17 -5.615 5.904 10.353 1.00 0.00 C ATOM 202 O ASN A 17 -5.034 4.925 10.817 1.00 0.00 O ATOM 203 CB ASN A 17 -7.881 5.047 10.999 1.00 0.00 C ATOM 204 CG ASN A 17 -8.964 5.924 11.611 1.00 0.00 C ATOM 205 OD1 ASN A 17 -8.669 6.823 12.394 1.00 0.00 O ATOM 206 ND2 ASN A 17 -10.223 5.660 11.250 1.00 0.00 N ATOM 0 H ASN A 17 -6.316 4.964 8.209 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.477 6.832 9.886 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.335 4.169 10.540 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.213 4.688 11.782 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.989 6.216 11.629 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.418 4.902 10.596 1.00 0.00 H new ATOM 213 N GLU A 18 -5.016 7.084 10.173 1.00 0.00 N ATOM 214 CA GLU A 18 -3.623 7.292 10.515 1.00 0.00 C ATOM 215 C GLU A 18 -3.354 6.783 11.925 1.00 0.00 C ATOM 216 O GLU A 18 -2.280 6.253 12.203 1.00 0.00 O ATOM 217 CB GLU A 18 -3.290 8.777 10.403 1.00 0.00 C ATOM 218 CG GLU A 18 -4.076 9.556 11.455 1.00 0.00 C ATOM 219 CD GLU A 18 -4.023 11.050 11.175 1.00 0.00 C ATOM 220 OE1 GLU A 18 -4.387 11.429 10.041 1.00 0.00 O ATOM 221 OE2 GLU A 18 -3.620 11.787 12.102 1.00 0.00 O ATOM 0 H GLU A 18 -5.483 7.906 9.791 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.988 6.737 9.824 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.220 8.932 10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.536 9.142 9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.113 9.220 11.463 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.667 9.353 12.445 1.00 0.00 H new ATOM 228 N ASN A 19 -4.336 6.945 12.815 1.00 0.00 N ATOM 229 CA ASN A 19 -4.201 6.501 14.188 1.00 0.00 C ATOM 230 C ASN A 19 -3.626 5.093 14.224 1.00 0.00 C ATOM 231 O ASN A 19 -3.023 4.690 15.217 1.00 0.00 O ATOM 232 CB ASN A 19 -5.564 6.546 14.871 1.00 0.00 C ATOM 233 CG ASN A 19 -5.644 7.709 15.849 1.00 0.00 C ATOM 234 OD1 ASN A 19 -5.383 7.542 17.039 1.00 0.00 O ATOM 235 ND2 ASN A 19 -6.005 8.892 15.346 1.00 0.00 N ATOM 0 H ASN A 19 -5.232 7.382 12.600 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.518 7.162 14.722 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.348 6.643 14.120 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.742 5.609 15.399 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.074 9.706 15.957 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.212 8.982 14.351 1.00 0.00 H new ATOM 242 N ASP A 20 -3.812 4.344 13.135 1.00 0.00 N ATOM 243 CA ASP A 20 -3.314 2.987 13.045 1.00 0.00 C ATOM 244 C ASP A 20 -1.900 2.994 12.479 1.00 0.00 C ATOM 245 O ASP A 20 -1.717 2.893 11.266 1.00 0.00 O ATOM 246 CB ASP A 20 -4.246 2.161 12.164 1.00 0.00 C ATOM 247 CG ASP A 20 -5.674 2.677 12.250 1.00 0.00 C ATOM 248 OD1 ASP A 20 -6.054 3.113 13.357 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.361 2.623 11.207 1.00 0.00 O ATOM 0 H ASP A 20 -4.308 4.665 12.303 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.284 2.539 14.038 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.903 2.199 11.130 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.214 1.116 12.473 1.00 0.00 H new ATOM 254 N LEU A 21 -0.904 3.114 13.358 1.00 0.00 N ATOM 255 CA LEU A 21 0.499 3.146 12.949 1.00 0.00 C ATOM 256 C LEU A 21 0.824 2.051 11.929 1.00 0.00 C ATOM 257 O LEU A 21 1.534 2.293 10.954 1.00 0.00 O ATOM 258 CB LEU A 21 1.397 2.996 14.180 1.00 0.00 C ATOM 259 CG LEU A 21 1.261 1.650 14.921 1.00 0.00 C ATOM 260 CD1 LEU A 21 2.618 0.973 15.093 1.00 0.00 C ATOM 261 CD2 LEU A 21 0.592 1.840 16.277 1.00 0.00 C ATOM 0 H LEU A 21 -1.046 3.191 14.365 1.00 0.00 H new ATOM 0 HA LEU A 21 0.684 4.107 12.468 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.435 3.122 13.872 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.171 3.803 14.877 1.00 0.00 H new ATOM 0 HG LEU A 21 0.632 1.003 14.310 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.489 0.027 15.619 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.058 0.787 14.113 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.278 1.621 15.670 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.508 0.876 16.779 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.191 2.516 16.887 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.402 2.264 16.136 1.00 0.00 H new ATOM 273 N HIS A 22 0.298 0.847 12.176 1.00 0.00 N ATOM 274 CA HIS A 22 0.510 -0.302 11.293 1.00 0.00 C ATOM 275 C HIS A 22 0.154 0.064 9.840 1.00 0.00 C ATOM 276 O HIS A 22 0.996 -0.090 8.955 1.00 0.00 O ATOM 277 CB HIS A 22 -0.312 -1.503 11.776 1.00 0.00 C ATOM 278 CG HIS A 22 -0.208 -2.691 10.869 1.00 0.00 C ATOM 279 ND1 HIS A 22 -0.115 -2.773 9.519 1.00 0.00 N flip ATOM 280 CD2 HIS A 22 -0.178 -3.990 11.332 1.00 0.00 C flip ATOM 281 CE1 HIS A 22 -0.033 -4.107 9.199 1.00 0.00 C flip ATOM 282 NE2 HIS A 22 -0.071 -4.819 10.308 1.00 0.00 N flip ATOM 0 H HIS A 22 -0.283 0.643 12.989 1.00 0.00 H new ATOM 0 HA HIS A 22 1.564 -0.578 11.323 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.022 -1.786 12.774 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.358 -1.209 11.861 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.233 -4.284 12.370 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.049 -4.508 8.200 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.026 -5.836 10.366 1.00 0.00 H new ATOM 291 N LEU A 23 -1.073 0.527 9.603 1.00 0.00 N ATOM 292 CA LEU A 23 -1.529 0.881 8.259 1.00 0.00 C ATOM 293 C LEU A 23 -0.560 1.837 7.559 1.00 0.00 C ATOM 294 O LEU A 23 -0.029 1.534 6.492 1.00 0.00 O ATOM 295 CB LEU A 23 -2.921 1.513 8.338 1.00 0.00 C ATOM 296 CG LEU A 23 -4.025 0.583 8.880 1.00 0.00 C ATOM 297 CD1 LEU A 23 -4.795 -0.084 7.744 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.440 -0.474 9.810 1.00 0.00 C ATOM 0 H LEU A 23 -1.774 0.666 10.331 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.570 -0.034 7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.867 2.398 8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.208 1.852 7.342 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.721 1.200 9.448 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.566 -0.733 8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.260 0.680 7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.109 -0.677 7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.239 -1.117 10.179 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.713 -1.076 9.265 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.949 0.014 10.652 1.00 0.00 H new ATOM 310 N VAL A 24 -0.342 3.002 8.174 1.00 0.00 N ATOM 311 CA VAL A 24 0.548 4.003 7.622 1.00 0.00 C ATOM 312 C VAL A 24 1.899 3.376 7.308 1.00 0.00 C ATOM 313 O VAL A 24 2.470 3.624 6.250 1.00 0.00 O ATOM 314 CB VAL A 24 0.702 5.150 8.616 1.00 0.00 C ATOM 315 CG1 VAL A 24 2.053 5.828 8.407 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.416 6.166 8.398 1.00 0.00 C ATOM 0 H VAL A 24 -0.776 3.268 9.058 1.00 0.00 H new ATOM 0 HA VAL A 24 0.129 4.396 6.696 1.00 0.00 H new ATOM 0 HB VAL A 24 0.645 4.759 9.632 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.163 6.647 9.117 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.852 5.103 8.563 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.111 6.218 7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.306 6.986 9.108 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.360 6.556 7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.381 5.683 8.548 1.00 0.00 H new ATOM 326 N ASP A 25 2.408 2.559 8.233 1.00 0.00 N ATOM 327 CA ASP A 25 3.687 1.902 8.051 1.00 0.00 C ATOM 328 C ASP A 25 3.785 1.349 6.637 1.00 0.00 C ATOM 329 O ASP A 25 4.802 1.534 5.967 1.00 0.00 O ATOM 330 CB ASP A 25 3.835 0.784 9.080 1.00 0.00 C ATOM 331 CG ASP A 25 5.260 0.250 9.103 1.00 0.00 C ATOM 332 OD1 ASP A 25 5.526 -0.688 8.320 1.00 0.00 O ATOM 333 OD2 ASP A 25 6.055 0.789 9.902 1.00 0.00 O ATOM 0 H ASP A 25 1.946 2.342 9.116 1.00 0.00 H new ATOM 0 HA ASP A 25 4.494 2.621 8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.566 1.157 10.068 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.143 -0.025 8.845 1.00 0.00 H new ATOM 338 N LEU A 26 2.730 0.671 6.185 1.00 0.00 N ATOM 339 CA LEU A 26 2.697 0.077 4.849 1.00 0.00 C ATOM 340 C LEU A 26 2.896 1.124 3.750 1.00 0.00 C ATOM 341 O LEU A 26 3.746 0.974 2.875 1.00 0.00 O ATOM 342 CB LEU A 26 1.365 -0.649 4.642 1.00 0.00 C ATOM 343 CG LEU A 26 1.044 -1.727 5.698 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.742 -3.072 5.044 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.189 -1.872 6.694 1.00 0.00 C ATOM 0 H LEU A 26 1.881 0.519 6.729 1.00 0.00 H new ATOM 0 HA LEU A 26 3.522 -0.632 4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.562 0.088 4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.371 -1.116 3.657 1.00 0.00 H new ATOM 0 HG LEU A 26 0.153 -1.402 6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.520 -3.810 5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.117 -2.970 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.608 -3.399 4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.938 -2.638 7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.097 -2.160 6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.351 -0.922 7.202 1.00 0.00 H new ATOM 357 N ALA A 27 2.094 2.190 3.807 1.00 0.00 N ATOM 358 CA ALA A 27 2.169 3.256 2.828 1.00 0.00 C ATOM 359 C ALA A 27 3.535 3.923 2.896 1.00 0.00 C ATOM 360 O ALA A 27 4.201 4.086 1.876 1.00 0.00 O ATOM 361 CB ALA A 27 1.058 4.268 3.094 1.00 0.00 C ATOM 0 H ALA A 27 1.385 2.330 4.527 1.00 0.00 H new ATOM 0 HA ALA A 27 2.037 2.846 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.113 5.071 2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.090 3.773 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.177 4.684 4.094 1.00 0.00 H new ATOM 367 N ARG A 28 3.952 4.311 4.104 1.00 0.00 N ATOM 368 CA ARG A 28 5.233 4.958 4.300 1.00 0.00 C ATOM 369 C ARG A 28 6.357 4.006 3.916 1.00 0.00 C ATOM 370 O ARG A 28 7.440 4.442 3.532 1.00 0.00 O ATOM 371 CB ARG A 28 5.366 5.392 5.757 1.00 0.00 C ATOM 372 CG ARG A 28 4.820 6.808 5.919 1.00 0.00 C ATOM 373 CD ARG A 28 5.621 7.543 6.989 1.00 0.00 C ATOM 374 NE ARG A 28 4.971 8.799 7.363 1.00 0.00 N ATOM 375 CZ ARG A 28 5.644 9.947 7.519 1.00 0.00 C ATOM 376 NH1 ARG A 28 6.971 9.976 7.332 1.00 0.00 N ATOM 377 NH2 ARG A 28 4.992 11.065 7.863 1.00 0.00 N ATOM 0 H ARG A 28 3.411 4.183 4.959 1.00 0.00 H new ATOM 0 HA ARG A 28 5.299 5.841 3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.821 4.704 6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.411 5.357 6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.882 7.343 4.972 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.767 6.773 6.198 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.726 6.908 7.869 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.626 7.746 6.620 1.00 0.00 H new ATOM 0 HE ARG A 28 3.962 8.801 7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.468 9.124 7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.484 10.850 7.451 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.982 11.043 8.006 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.505 11.939 7.982 1.00 0.00 H new ATOM 391 N PHE A 29 6.096 2.702 4.021 1.00 0.00 N ATOM 392 CA PHE A 29 7.085 1.697 3.684 1.00 0.00 C ATOM 393 C PHE A 29 7.326 1.693 2.181 1.00 0.00 C ATOM 394 O PHE A 29 8.470 1.654 1.734 1.00 0.00 O ATOM 395 CB PHE A 29 6.601 0.329 4.158 1.00 0.00 C ATOM 396 CG PHE A 29 7.357 -0.824 3.545 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.753 -0.775 3.449 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.662 -1.941 3.066 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.454 -1.843 2.877 1.00 0.00 C ATOM 400 CE2 PHE A 29 7.363 -3.010 2.495 1.00 0.00 C ATOM 401 CZ PHE A 29 8.759 -2.961 2.401 1.00 0.00 C ATOM 0 H PHE A 29 5.203 2.324 4.338 1.00 0.00 H new ATOM 0 HA PHE A 29 8.027 1.927 4.182 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.692 0.276 5.243 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.542 0.225 3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.289 0.087 3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.585 -1.978 3.137 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.531 -1.805 2.803 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.827 -3.872 2.127 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.300 -3.786 1.961 1.00 0.00 H new ATOM 411 N ALA A 30 6.243 1.733 1.402 1.00 0.00 N ATOM 412 CA ALA A 30 6.341 1.733 -0.044 1.00 0.00 C ATOM 413 C ALA A 30 7.249 2.866 -0.498 1.00 0.00 C ATOM 414 O ALA A 30 8.323 2.624 -1.045 1.00 0.00 O ATOM 415 CB ALA A 30 4.948 1.880 -0.647 1.00 0.00 C ATOM 0 H ALA A 30 5.288 1.766 1.758 1.00 0.00 H new ATOM 0 HA ALA A 30 6.771 0.791 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.020 1.880 -1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.322 1.047 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.504 2.818 -0.313 1.00 0.00 H new ATOM 421 N VAL A 31 6.814 4.109 -0.273 1.00 0.00 N ATOM 422 CA VAL A 31 7.587 5.271 -0.660 1.00 0.00 C ATOM 423 C VAL A 31 9.049 5.065 -0.289 1.00 0.00 C ATOM 424 O VAL A 31 9.942 5.502 -1.012 1.00 0.00 O ATOM 425 CB VAL A 31 7.022 6.509 0.031 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.575 7.764 -0.639 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.501 6.503 -0.078 1.00 0.00 C ATOM 0 H VAL A 31 5.925 4.327 0.178 1.00 0.00 H new ATOM 0 HA VAL A 31 7.524 5.413 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 31 7.311 6.501 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.171 8.648 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.662 7.769 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.287 7.772 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.097 7.387 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.211 6.510 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.105 5.608 0.401 1.00 0.00 H new ATOM 437 N THR A 32 9.291 4.398 0.841 1.00 0.00 N ATOM 438 CA THR A 32 10.641 4.138 1.298 1.00 0.00 C ATOM 439 C THR A 32 11.304 3.106 0.397 1.00 0.00 C ATOM 440 O THR A 32 12.214 3.430 -0.362 1.00 0.00 O ATOM 441 CB THR A 32 10.604 3.651 2.743 1.00 0.00 C ATOM 442 OG1 THR A 32 10.240 4.718 3.589 1.00 0.00 O ATOM 443 CG2 THR A 32 11.983 3.134 3.142 1.00 0.00 C ATOM 0 H THR A 32 8.562 4.031 1.452 1.00 0.00 H new ATOM 0 HA THR A 32 11.226 5.057 1.253 1.00 0.00 H new ATOM 0 HB THR A 32 9.874 2.847 2.836 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.265 4.744 3.682 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.956 2.786 4.175 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.265 2.309 2.488 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.714 3.937 3.049 1.00 0.00 H new ATOM 451 N GLU A 33 10.843 1.856 0.485 1.00 0.00 N ATOM 452 CA GLU A 33 11.391 0.784 -0.322 1.00 0.00 C ATOM 453 C GLU A 33 11.634 1.274 -1.742 1.00 0.00 C ATOM 454 O GLU A 33 12.728 1.093 -2.277 1.00 0.00 O ATOM 455 CB GLU A 33 10.426 -0.400 -0.316 1.00 0.00 C ATOM 456 CG GLU A 33 10.969 -1.503 -1.220 1.00 0.00 C ATOM 457 CD GLU A 33 11.560 -2.637 -0.396 1.00 0.00 C ATOM 458 OE1 GLU A 33 12.445 -2.336 0.432 1.00 0.00 O ATOM 459 OE2 GLU A 33 11.115 -3.786 -0.611 1.00 0.00 O ATOM 0 H GLU A 33 10.090 1.570 1.111 1.00 0.00 H new ATOM 0 HA GLU A 33 12.345 0.463 0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.301 -0.776 0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.442 -0.083 -0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.169 -1.887 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.732 -1.094 -1.883 1.00 0.00 H new ATOM 466 N HIS A 34 10.613 1.892 -2.344 1.00 0.00 N ATOM 467 CA HIS A 34 10.707 2.428 -3.704 1.00 0.00 C ATOM 468 C HIS A 34 11.861 3.442 -3.803 1.00 0.00 C ATOM 469 O HIS A 34 12.699 3.321 -4.693 1.00 0.00 O ATOM 470 CB HIS A 34 9.375 3.065 -4.118 1.00 0.00 C ATOM 471 CG HIS A 34 9.297 3.369 -5.583 1.00 0.00 C ATOM 472 ND1 HIS A 34 10.225 3.864 -6.438 1.00 0.00 N flip ATOM 473 CD2 HIS A 34 8.162 3.153 -6.337 1.00 0.00 C flip ATOM 474 CE1 HIS A 34 9.637 3.938 -7.677 1.00 0.00 C flip ATOM 475 NE2 HIS A 34 8.393 3.502 -7.590 1.00 0.00 N flip ATOM 0 H HIS A 34 9.703 2.034 -1.905 1.00 0.00 H new ATOM 0 HA HIS A 34 10.919 1.609 -4.391 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.559 2.394 -3.849 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.229 3.986 -3.554 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.229 2.760 -5.961 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.115 4.295 -8.577 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.725 3.445 -8.359 1.00 0.00 H new ATOM 484 N ASN A 35 11.890 4.435 -2.911 1.00 0.00 N ATOM 485 CA ASN A 35 12.926 5.448 -2.929 1.00 0.00 C ATOM 486 C ASN A 35 14.285 4.805 -2.693 1.00 0.00 C ATOM 487 O ASN A 35 15.318 5.403 -2.985 1.00 0.00 O ATOM 488 CB ASN A 35 12.630 6.495 -1.858 1.00 0.00 C ATOM 489 CG ASN A 35 11.490 7.406 -2.290 1.00 0.00 C ATOM 490 OD1 ASN A 35 10.597 6.982 -3.020 1.00 0.00 O ATOM 491 ND2 ASN A 35 11.522 8.661 -1.835 1.00 0.00 N ATOM 0 H ASN A 35 11.201 4.552 -2.168 1.00 0.00 H new ATOM 0 HA ASN A 35 12.944 5.937 -3.903 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.371 6.000 -0.922 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.524 7.089 -1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.783 9.315 -2.091 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.286 8.965 -1.231 1.00 0.00 H new ATOM 498 N LYS A 36 14.280 3.579 -2.163 1.00 0.00 N ATOM 499 CA LYS A 36 15.510 2.862 -1.891 1.00 0.00 C ATOM 500 C LYS A 36 16.176 2.460 -3.200 1.00 0.00 C ATOM 501 O LYS A 36 17.355 2.732 -3.410 1.00 0.00 O ATOM 502 CB LYS A 36 15.202 1.631 -1.042 1.00 0.00 C ATOM 503 CG LYS A 36 16.159 1.581 0.145 1.00 0.00 C ATOM 504 CD LYS A 36 15.423 1.049 1.371 1.00 0.00 C ATOM 505 CE LYS A 36 16.057 -0.266 1.815 1.00 0.00 C ATOM 506 NZ LYS A 36 15.398 -1.412 1.172 1.00 0.00 N ATOM 0 H LYS A 36 13.432 3.069 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 36 16.196 3.506 -1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.171 1.667 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.303 0.727 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.010 0.941 -0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.555 2.576 0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.468 1.778 2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.369 0.896 1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.118 -0.265 1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.985 -0.361 2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.622 -2.281 1.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.369 -1.264 1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.737 -1.503 0.193 1.00 0.00 H new ATOM 520 N LYS A 37 15.413 1.812 -4.084 1.00 0.00 N ATOM 521 CA LYS A 37 15.931 1.378 -5.366 1.00 0.00 C ATOM 522 C LYS A 37 15.730 2.472 -6.404 1.00 0.00 C ATOM 523 O LYS A 37 16.213 2.362 -7.528 1.00 0.00 O ATOM 524 CB LYS A 37 15.223 0.094 -5.791 1.00 0.00 C ATOM 525 CG LYS A 37 15.584 -1.030 -4.824 1.00 0.00 C ATOM 526 CD LYS A 37 16.970 -1.569 -5.166 1.00 0.00 C ATOM 527 CE LYS A 37 17.580 -2.226 -3.930 1.00 0.00 C ATOM 528 NZ LYS A 37 18.310 -3.451 -4.289 1.00 0.00 N ATOM 0 H LYS A 37 14.432 1.580 -3.926 1.00 0.00 H new ATOM 0 HA LYS A 37 16.999 1.179 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.144 0.247 -5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.516 -0.177 -6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.568 -0.661 -3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.846 -1.829 -4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.900 -2.292 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.611 -0.759 -5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.256 -1.527 -3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.793 -2.464 -3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.715 -3.878 -3.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.657 -4.126 -4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.075 -3.217 -4.953 1.00 0.00 H new ATOM 542 N ALA A 38 15.014 3.533 -6.022 1.00 0.00 N ATOM 543 CA ALA A 38 14.752 4.641 -6.917 1.00 0.00 C ATOM 544 C ALA A 38 15.472 5.887 -6.421 1.00 0.00 C ATOM 545 O ALA A 38 15.171 6.996 -6.855 1.00 0.00 O ATOM 546 CB ALA A 38 13.248 4.882 -7.000 1.00 0.00 C ATOM 0 H ALA A 38 14.608 3.639 -5.092 1.00 0.00 H new ATOM 0 HA ALA A 38 15.124 4.404 -7.914 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.050 5.716 -7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.756 3.986 -7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.862 5.117 -6.008 1.00 0.00 H new ATOM 552 N ASN A 39 16.428 5.701 -5.508 1.00 0.00 N ATOM 553 CA ASN A 39 17.185 6.809 -4.960 1.00 0.00 C ATOM 554 C ASN A 39 16.251 7.968 -4.641 1.00 0.00 C ATOM 555 O ASN A 39 16.671 9.123 -4.624 1.00 0.00 O ATOM 556 CB ASN A 39 18.255 7.236 -5.959 1.00 0.00 C ATOM 557 CG ASN A 39 19.648 6.916 -5.435 1.00 0.00 C ATOM 558 OD1 ASN A 39 19.976 5.753 -5.214 1.00 0.00 O ATOM 559 ND2 ASN A 39 20.466 7.952 -5.238 1.00 0.00 N ATOM 0 H ASN A 39 16.691 4.788 -5.137 1.00 0.00 H new ATOM 0 HA ASN A 39 17.672 6.498 -4.036 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.094 6.727 -6.909 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.172 8.306 -6.152 1.00 0.00 H new ATOM 0 HD21 ASN A 39 21.411 7.796 -4.889 1.00 0.00 H new ATOM 0 HD22 ASN A 39 20.146 8.900 -5.437 1.00 0.00 H new ATOM 566 N SER A 40 14.978 7.655 -4.388 1.00 0.00 N ATOM 567 CA SER A 40 13.991 8.669 -4.070 1.00 0.00 C ATOM 568 C SER A 40 13.615 9.435 -5.330 1.00 0.00 C ATOM 569 O SER A 40 14.412 9.530 -6.264 1.00 0.00 O ATOM 570 CB SER A 40 14.556 9.612 -3.011 1.00 0.00 C ATOM 571 OG SER A 40 15.313 8.873 -2.080 1.00 0.00 O ATOM 0 H SER A 40 14.614 6.702 -4.399 1.00 0.00 H new ATOM 0 HA SER A 40 13.092 8.197 -3.674 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.180 10.372 -3.481 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.745 10.134 -2.504 1.00 0.00 H new ATOM 0 HG SER A 40 15.677 9.478 -1.401 1.00 0.00 H new ATOM 577 N LEU A 41 12.399 9.983 -5.353 1.00 0.00 N ATOM 578 CA LEU A 41 11.904 10.737 -6.505 1.00 0.00 C ATOM 579 C LEU A 41 10.737 11.653 -6.130 1.00 0.00 C ATOM 580 O LEU A 41 10.370 12.554 -6.886 1.00 0.00 O ATOM 581 CB LEU A 41 11.473 9.766 -7.608 1.00 0.00 C ATOM 582 CG LEU A 41 9.994 9.327 -7.543 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.508 8.812 -8.895 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.790 8.263 -6.470 1.00 0.00 C ATOM 0 H LEU A 41 11.735 9.918 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 41 12.715 11.370 -6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.657 10.233 -8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.103 8.878 -7.558 1.00 0.00 H new ATOM 0 HG LEU A 41 9.403 10.205 -7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.463 8.511 -8.816 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.602 9.602 -9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.111 7.955 -9.196 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.741 7.970 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.404 7.392 -6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.079 8.665 -5.499 1.00 0.00 H new ATOM 596 N LEU A 42 10.156 11.407 -4.956 1.00 0.00 N ATOM 597 CA LEU A 42 9.017 12.188 -4.469 1.00 0.00 C ATOM 598 C LEU A 42 9.079 12.405 -2.955 1.00 0.00 C ATOM 599 O LEU A 42 10.049 12.035 -2.299 1.00 0.00 O ATOM 600 CB LEU A 42 7.712 11.479 -4.842 1.00 0.00 C ATOM 601 CG LEU A 42 7.575 10.044 -4.295 1.00 0.00 C ATOM 602 CD1 LEU A 42 6.857 10.030 -2.948 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.844 9.150 -5.289 1.00 0.00 C ATOM 0 H LEU A 42 10.457 10.668 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 42 9.056 13.169 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.875 12.073 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.630 11.448 -5.928 1.00 0.00 H new ATOM 0 HG LEU A 42 8.582 9.653 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.776 9.004 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.422 10.623 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.859 10.454 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.760 8.143 -4.880 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.847 9.551 -5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.401 9.116 -6.225 1.00 0.00 H new ATOM 615 N GLU A 43 8.026 13.021 -2.410 1.00 0.00 N ATOM 616 CA GLU A 43 7.956 13.294 -0.989 1.00 0.00 C ATOM 617 C GLU A 43 6.543 13.044 -0.481 1.00 0.00 C ATOM 618 O GLU A 43 5.636 13.833 -0.742 1.00 0.00 O ATOM 619 CB GLU A 43 8.377 14.737 -0.728 1.00 0.00 C ATOM 620 CG GLU A 43 8.956 14.852 0.679 1.00 0.00 C ATOM 621 CD GLU A 43 9.046 16.308 1.112 1.00 0.00 C ATOM 622 OE1 GLU A 43 9.895 17.022 0.533 1.00 0.00 O ATOM 623 OE2 GLU A 43 8.265 16.681 2.013 1.00 0.00 O ATOM 0 H GLU A 43 7.214 13.337 -2.940 1.00 0.00 H new ATOM 0 HA GLU A 43 8.634 12.628 -0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.118 15.050 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.520 15.402 -0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.332 14.298 1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.947 14.398 0.707 1.00 0.00 H new ATOM 630 N PHE A 44 6.356 11.941 0.247 1.00 0.00 N ATOM 631 CA PHE A 44 5.057 11.594 0.787 1.00 0.00 C ATOM 632 C PHE A 44 4.486 12.775 1.559 1.00 0.00 C ATOM 633 O PHE A 44 5.197 13.420 2.327 1.00 0.00 O ATOM 634 CB PHE A 44 5.194 10.371 1.691 1.00 0.00 C ATOM 635 CG PHE A 44 3.976 10.114 2.545 1.00 0.00 C ATOM 636 CD1 PHE A 44 3.862 10.720 3.803 1.00 0.00 C ATOM 637 CD2 PHE A 44 2.961 9.268 2.082 1.00 0.00 C ATOM 638 CE1 PHE A 44 2.734 10.480 4.596 1.00 0.00 C ATOM 639 CE2 PHE A 44 1.833 9.029 2.875 1.00 0.00 C ATOM 640 CZ PHE A 44 1.718 9.635 4.132 1.00 0.00 C ATOM 0 H PHE A 44 7.096 11.276 0.472 1.00 0.00 H new ATOM 0 HA PHE A 44 4.373 11.354 -0.027 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.387 9.493 1.074 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.061 10.503 2.339 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.645 11.372 4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.049 8.800 1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.647 10.947 5.566 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.050 8.376 2.517 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.847 9.451 4.743 1.00 0.00 H new ATOM 650 N GLU A 45 3.198 13.057 1.353 1.00 0.00 N ATOM 651 CA GLU A 45 2.540 14.157 2.031 1.00 0.00 C ATOM 652 C GLU A 45 1.735 13.633 3.212 1.00 0.00 C ATOM 653 O GLU A 45 1.849 14.145 4.323 1.00 0.00 O ATOM 654 CB GLU A 45 1.639 14.894 1.045 1.00 0.00 C ATOM 655 CG GLU A 45 0.636 15.750 1.815 1.00 0.00 C ATOM 656 CD GLU A 45 0.576 17.160 1.246 1.00 0.00 C ATOM 657 OE1 GLU A 45 -0.068 17.318 0.186 1.00 0.00 O ATOM 658 OE2 GLU A 45 1.176 18.053 1.881 1.00 0.00 O ATOM 0 H GLU A 45 2.595 12.533 0.719 1.00 0.00 H new ATOM 0 HA GLU A 45 3.288 14.853 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.239 15.522 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.113 14.179 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.352 15.292 1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.918 15.790 2.867 1.00 0.00 H new ATOM 665 N LYS A 46 0.918 12.606 2.966 1.00 0.00 N ATOM 666 CA LYS A 46 0.099 12.017 4.007 1.00 0.00 C ATOM 667 C LYS A 46 -0.672 10.828 3.450 1.00 0.00 C ATOM 668 O LYS A 46 -0.489 10.456 2.291 1.00 0.00 O ATOM 669 CB LYS A 46 -0.859 13.071 4.557 1.00 0.00 C ATOM 670 CG LYS A 46 -1.876 13.445 3.482 1.00 0.00 C ATOM 671 CD LYS A 46 -2.925 14.380 4.076 1.00 0.00 C ATOM 672 CE LYS A 46 -4.284 14.085 3.448 1.00 0.00 C ATOM 673 NZ LYS A 46 -5.065 15.319 3.274 1.00 0.00 N ATOM 0 H LYS A 46 0.812 12.170 2.050 1.00 0.00 H new ATOM 0 HA LYS A 46 0.736 11.663 4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.371 12.687 5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.303 13.955 4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.374 13.930 2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.354 12.547 3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.975 14.247 5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.646 15.418 3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.144 13.600 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.836 13.387 4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.984 15.090 2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.217 15.767 4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.547 15.973 2.653 1.00 0.00 H new ATOM 687 N LEU A 47 -1.533 10.236 4.277 1.00 0.00 N ATOM 688 CA LEU A 47 -2.329 9.076 3.876 1.00 0.00 C ATOM 689 C LEU A 47 -3.830 9.375 3.905 1.00 0.00 C ATOM 690 O LEU A 47 -4.343 9.962 4.855 1.00 0.00 O ATOM 691 CB LEU A 47 -2.014 7.894 4.797 1.00 0.00 C ATOM 692 CG LEU A 47 -3.175 6.894 4.987 1.00 0.00 C ATOM 693 CD1 LEU A 47 -3.343 6.000 3.761 1.00 0.00 C ATOM 694 CD2 LEU A 47 -2.961 6.042 6.233 1.00 0.00 C ATOM 0 H LEU A 47 -1.698 10.543 5.236 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.064 8.827 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.154 7.358 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.722 8.280 5.774 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.089 7.474 5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.168 5.307 3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.556 6.616 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.425 5.437 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.792 5.346 6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.030 5.483 6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.908 6.687 7.110 1.00 0.00 H new ATOM 706 N VAL A 48 -4.528 8.965 2.843 1.00 0.00 N ATOM 707 CA VAL A 48 -5.956 9.184 2.735 1.00 0.00 C ATOM 708 C VAL A 48 -6.706 8.045 3.409 1.00 0.00 C ATOM 709 O VAL A 48 -7.350 8.244 4.437 1.00 0.00 O ATOM 710 CB VAL A 48 -6.344 9.291 1.262 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.627 10.107 1.131 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.222 9.979 0.490 1.00 0.00 C ATOM 0 H VAL A 48 -4.117 8.478 2.047 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.223 10.114 3.236 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.506 8.293 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.904 10.183 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.429 9.616 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.466 11.106 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.498 10.056 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.060 10.977 0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.306 9.396 0.583 1.00 0.00 H new ATOM 722 N SER A 49 -6.621 6.846 2.828 1.00 0.00 N ATOM 723 CA SER A 49 -7.289 5.683 3.376 1.00 0.00 C ATOM 724 C SER A 49 -6.552 4.418 2.958 1.00 0.00 C ATOM 725 O SER A 49 -5.519 4.489 2.295 1.00 0.00 O ATOM 726 CB SER A 49 -8.734 5.651 2.889 1.00 0.00 C ATOM 727 OG SER A 49 -9.552 6.353 3.799 1.00 0.00 O ATOM 0 H SER A 49 -6.092 6.664 1.975 1.00 0.00 H new ATOM 0 HA SER A 49 -7.286 5.738 4.465 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.805 6.100 1.898 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.075 4.620 2.797 1.00 0.00 H new ATOM 0 HG SER A 49 -9.043 7.091 4.194 1.00 0.00 H new ATOM 733 N VAL A 50 -7.086 3.259 3.348 1.00 0.00 N ATOM 734 CA VAL A 50 -6.480 1.986 3.013 1.00 0.00 C ATOM 735 C VAL A 50 -7.512 0.875 3.138 1.00 0.00 C ATOM 736 O VAL A 50 -8.382 0.927 4.005 1.00 0.00 O ATOM 737 CB VAL A 50 -5.294 1.730 3.938 1.00 0.00 C ATOM 738 CG1 VAL A 50 -5.691 2.052 5.375 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.880 0.264 3.840 1.00 0.00 C ATOM 0 H VAL A 50 -7.941 3.185 3.899 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.123 2.008 1.983 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.458 2.364 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.844 1.869 6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.987 3.099 5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.527 1.418 5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.033 0.080 4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.715 -0.371 4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.596 0.034 2.813 1.00 0.00 H new ATOM 749 N LYS A 51 -7.414 -0.133 2.269 1.00 0.00 N ATOM 750 CA LYS A 51 -8.338 -1.250 2.289 1.00 0.00 C ATOM 751 C LYS A 51 -7.602 -2.526 2.670 1.00 0.00 C ATOM 752 O LYS A 51 -6.399 -2.501 2.922 1.00 0.00 O ATOM 753 CB LYS A 51 -8.991 -1.392 0.917 1.00 0.00 C ATOM 754 CG LYS A 51 -10.165 -0.423 0.808 1.00 0.00 C ATOM 755 CD LYS A 51 -9.796 0.720 -0.132 1.00 0.00 C ATOM 756 CE LYS A 51 -11.012 1.103 -0.970 1.00 0.00 C ATOM 757 NZ LYS A 51 -11.359 0.032 -1.917 1.00 0.00 N ATOM 0 H LYS A 51 -6.699 -0.191 1.544 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.115 -1.069 3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.262 -1.186 0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.336 -2.416 0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.047 -0.944 0.435 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.419 -0.031 1.793 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.451 1.580 0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.974 0.420 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.860 1.303 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.806 2.024 -1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.855 0.439 -2.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.491 -0.442 -2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.977 -0.660 -1.447 1.00 0.00 H new ATOM 771 N GLN A 52 -8.328 -3.645 2.712 1.00 0.00 N ATOM 772 CA GLN A 52 -7.742 -4.923 3.063 1.00 0.00 C ATOM 773 C GLN A 52 -8.413 -6.035 2.268 1.00 0.00 C ATOM 774 O GLN A 52 -9.638 -6.092 2.187 1.00 0.00 O ATOM 775 CB GLN A 52 -7.902 -5.159 4.562 1.00 0.00 C ATOM 776 CG GLN A 52 -9.368 -4.995 4.951 1.00 0.00 C ATOM 777 CD GLN A 52 -9.583 -5.345 6.417 1.00 0.00 C ATOM 778 OE1 GLN A 52 -10.474 -4.799 7.062 1.00 0.00 O ATOM 779 NE2 GLN A 52 -8.763 -6.259 6.941 1.00 0.00 N ATOM 0 H GLN A 52 -9.326 -3.683 2.505 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.680 -4.920 2.819 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.556 -6.159 4.822 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.286 -4.453 5.119 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.684 -3.968 4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.989 -5.636 4.325 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.038 -6.684 6.364 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.862 -6.532 7.919 1.00 0.00 H new ATOM 788 N GLN A 53 -7.605 -6.920 1.680 1.00 0.00 N ATOM 789 CA GLN A 53 -8.123 -8.023 0.896 1.00 0.00 C ATOM 790 C GLN A 53 -7.581 -9.340 1.435 1.00 0.00 C ATOM 791 O GLN A 53 -6.439 -9.407 1.882 1.00 0.00 O ATOM 792 CB GLN A 53 -7.729 -7.834 -0.567 1.00 0.00 C ATOM 793 CG GLN A 53 -8.409 -8.900 -1.420 1.00 0.00 C ATOM 794 CD GLN A 53 -9.491 -8.285 -2.296 1.00 0.00 C ATOM 795 OE1 GLN A 53 -10.273 -7.458 -1.833 1.00 0.00 O ATOM 796 NE2 GLN A 53 -9.533 -8.691 -3.567 1.00 0.00 N ATOM 0 H GLN A 53 -6.587 -6.886 1.737 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.210 -8.046 0.967 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.021 -6.840 -0.908 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.647 -7.903 -0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.668 -9.398 -2.046 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.847 -9.663 -0.776 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.861 -9.380 -3.905 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.237 -8.312 -4.201 1.00 0.00 H new ATOM 805 N VAL A 54 -8.407 -10.388 1.390 1.00 0.00 N ATOM 806 CA VAL A 54 -8.008 -11.696 1.872 1.00 0.00 C ATOM 807 C VAL A 54 -7.806 -12.638 0.694 1.00 0.00 C ATOM 808 O VAL A 54 -8.710 -12.822 -0.119 1.00 0.00 O ATOM 809 CB VAL A 54 -9.075 -12.234 2.819 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.456 -12.018 2.207 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.848 -13.726 3.046 1.00 0.00 C ATOM 0 H VAL A 54 -9.357 -10.347 1.022 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.066 -11.618 2.415 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.013 -11.707 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.218 -12.403 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.619 -10.953 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.518 -12.544 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.611 -14.111 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.909 -14.252 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.862 -13.882 3.484 1.00 0.00 H new ATOM 821 N VAL A 55 -6.616 -13.238 0.605 1.00 0.00 N ATOM 822 CA VAL A 55 -6.302 -14.158 -0.470 1.00 0.00 C ATOM 823 C VAL A 55 -5.200 -15.110 -0.027 1.00 0.00 C ATOM 824 O VAL A 55 -5.373 -15.860 0.931 1.00 0.00 O ATOM 825 CB VAL A 55 -5.873 -13.369 -1.704 1.00 0.00 C ATOM 826 CG1 VAL A 55 -6.998 -12.428 -2.123 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.624 -12.555 -1.377 1.00 0.00 C ATOM 0 H VAL A 55 -5.857 -13.097 1.272 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.184 -14.747 -0.721 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.655 -14.059 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.692 -11.864 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.890 -13.009 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.217 -11.737 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.316 -11.991 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.842 -11.865 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.820 -13.227 -1.078 1.00 0.00 H new ATOM 837 N ALA A 56 -4.065 -15.079 -0.728 1.00 0.00 N ATOM 838 CA ALA A 56 -2.943 -15.937 -0.405 1.00 0.00 C ATOM 839 C ALA A 56 -2.176 -15.360 0.775 1.00 0.00 C ATOM 840 O ALA A 56 -1.025 -15.723 1.009 1.00 0.00 O ATOM 841 CB ALA A 56 -2.037 -16.070 -1.626 1.00 0.00 C ATOM 0 H ALA A 56 -3.907 -14.463 -1.525 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.305 -16.927 -0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.193 -16.715 -1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.601 -16.504 -2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.670 -15.085 -1.916 1.00 0.00 H new ATOM 847 N GLY A 57 -2.816 -14.457 1.522 1.00 0.00 N ATOM 848 CA GLY A 57 -2.189 -13.837 2.672 1.00 0.00 C ATOM 849 C GLY A 57 -3.031 -12.670 3.167 1.00 0.00 C ATOM 850 O GLY A 57 -4.247 -12.791 3.305 1.00 0.00 O ATOM 0 H GLY A 57 -3.770 -14.144 1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.068 -14.571 3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.191 -13.488 2.407 1.00 0.00 H new ATOM 854 N THR A 58 -2.380 -11.536 3.435 1.00 0.00 N ATOM 855 CA THR A 58 -3.073 -10.356 3.912 1.00 0.00 C ATOM 856 C THR A 58 -2.686 -9.151 3.067 1.00 0.00 C ATOM 857 O THR A 58 -1.594 -8.603 3.224 1.00 0.00 O ATOM 858 CB THR A 58 -2.723 -10.121 5.379 1.00 0.00 C ATOM 859 OG1 THR A 58 -3.146 -11.227 6.145 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.426 -8.860 5.874 1.00 0.00 C ATOM 0 H THR A 58 -1.373 -11.418 3.327 1.00 0.00 H new ATOM 0 HA THR A 58 -4.150 -10.503 3.826 1.00 0.00 H new ATOM 0 HB THR A 58 -1.645 -9.999 5.481 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.920 -11.078 7.087 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.176 -8.692 6.922 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.100 -8.005 5.281 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.505 -8.981 5.773 1.00 0.00 H new ATOM 868 N LEU A 59 -3.583 -8.740 2.171 1.00 0.00 N ATOM 869 CA LEU A 59 -3.338 -7.602 1.285 1.00 0.00 C ATOM 870 C LEU A 59 -4.017 -6.326 1.789 1.00 0.00 C ATOM 871 O LEU A 59 -5.055 -6.376 2.446 1.00 0.00 O ATOM 872 CB LEU A 59 -3.833 -7.933 -0.125 1.00 0.00 C ATOM 873 CG LEU A 59 -3.056 -7.240 -1.264 1.00 0.00 C ATOM 874 CD1 LEU A 59 -3.191 -5.722 -1.183 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.584 -7.639 -1.242 1.00 0.00 C ATOM 0 H LEU A 59 -4.493 -9.182 2.039 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.264 -7.417 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.777 -9.012 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.884 -7.655 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.492 -7.572 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.633 -5.263 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.242 -5.445 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.795 -5.372 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.059 -7.137 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.142 -7.347 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.498 -8.718 -1.366 1.00 0.00 H new ATOM 887 N TYR A 60 -3.412 -5.178 1.476 1.00 0.00 N ATOM 888 CA TYR A 60 -3.943 -3.897 1.896 1.00 0.00 C ATOM 889 C TYR A 60 -3.725 -2.865 0.800 1.00 0.00 C ATOM 890 O TYR A 60 -2.602 -2.669 0.341 1.00 0.00 O ATOM 891 CB TYR A 60 -3.260 -3.464 3.190 1.00 0.00 C ATOM 892 CG TYR A 60 -3.572 -4.360 4.365 1.00 0.00 C ATOM 893 CD1 TYR A 60 -4.903 -4.617 4.716 1.00 0.00 C ATOM 894 CD2 TYR A 60 -2.530 -4.934 5.103 1.00 0.00 C ATOM 895 CE1 TYR A 60 -5.191 -5.447 5.805 1.00 0.00 C ATOM 896 CE2 TYR A 60 -2.819 -5.765 6.193 1.00 0.00 C ATOM 897 CZ TYR A 60 -4.150 -6.022 6.544 1.00 0.00 C ATOM 898 OH TYR A 60 -4.432 -6.832 7.604 1.00 0.00 O ATOM 0 H TYR A 60 -2.552 -5.119 0.931 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.014 -3.984 2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.181 -3.446 3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.565 -2.445 3.429 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.707 -4.175 4.146 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.503 -4.736 4.832 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.218 -5.644 6.076 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.015 -6.207 6.763 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.286 -7.287 7.450 1.00 0.00 H new ATOM 908 N TYR A 61 -4.805 -2.202 0.379 1.00 0.00 N ATOM 909 CA TYR A 61 -4.726 -1.196 -0.660 1.00 0.00 C ATOM 910 C TYR A 61 -4.714 0.192 -0.035 1.00 0.00 C ATOM 911 O TYR A 61 -5.761 0.724 0.325 1.00 0.00 O ATOM 912 CB TYR A 61 -5.913 -1.351 -1.607 1.00 0.00 C ATOM 913 CG TYR A 61 -6.031 -2.733 -2.204 1.00 0.00 C ATOM 914 CD1 TYR A 61 -6.146 -3.849 -1.368 1.00 0.00 C ATOM 915 CD2 TYR A 61 -6.023 -2.898 -3.594 1.00 0.00 C ATOM 916 CE1 TYR A 61 -6.254 -5.131 -1.922 1.00 0.00 C ATOM 917 CE2 TYR A 61 -6.132 -4.179 -4.148 1.00 0.00 C ATOM 918 CZ TYR A 61 -6.247 -5.295 -3.312 1.00 0.00 C ATOM 919 OH TYR A 61 -6.353 -6.544 -3.851 1.00 0.00 O ATOM 0 H TYR A 61 -5.744 -2.351 0.749 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.804 -1.325 -1.227 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.831 -1.117 -1.068 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.822 -0.622 -2.413 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.151 -3.722 -0.296 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.933 -2.037 -4.239 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.343 -5.993 -1.277 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.127 -4.306 -5.221 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.333 -6.481 -4.829 1.00 0.00 H new ATOM 929 N PHE A 62 -3.521 0.780 0.093 1.00 0.00 N ATOM 930 CA PHE A 62 -3.379 2.100 0.671 1.00 0.00 C ATOM 931 C PHE A 62 -3.512 3.158 -0.414 1.00 0.00 C ATOM 932 O PHE A 62 -2.955 3.010 -1.500 1.00 0.00 O ATOM 933 CB PHE A 62 -2.025 2.205 1.369 1.00 0.00 C ATOM 934 CG PHE A 62 -1.882 1.277 2.551 1.00 0.00 C ATOM 935 CD1 PHE A 62 -1.527 -0.062 2.351 1.00 0.00 C ATOM 936 CD2 PHE A 62 -2.106 1.756 3.847 1.00 0.00 C ATOM 937 CE1 PHE A 62 -1.397 -0.924 3.447 1.00 0.00 C ATOM 938 CE2 PHE A 62 -1.975 0.895 4.943 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.620 -0.444 4.743 1.00 0.00 C ATOM 0 H PHE A 62 -2.642 0.353 -0.200 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.166 2.265 1.407 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.236 1.987 0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.876 3.232 1.703 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.353 -0.431 1.351 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.380 2.789 4.001 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.125 -1.958 3.293 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.148 1.264 5.943 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.518 -1.107 5.589 1.00 0.00 H new ATOM 949 N THR A 63 -4.251 4.229 -0.118 1.00 0.00 N ATOM 950 CA THR A 63 -4.449 5.303 -1.071 1.00 0.00 C ATOM 951 C THR A 63 -3.934 6.612 -0.491 1.00 0.00 C ATOM 952 O THR A 63 -4.713 7.428 -0.001 1.00 0.00 O ATOM 953 CB THR A 63 -5.933 5.410 -1.413 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.488 4.118 -1.509 1.00 0.00 O ATOM 955 CG2 THR A 63 -6.097 6.134 -2.746 1.00 0.00 C ATOM 0 H THR A 63 -4.719 4.368 0.777 1.00 0.00 H new ATOM 0 HA THR A 63 -3.892 5.091 -1.984 1.00 0.00 H new ATOM 0 HB THR A 63 -6.446 5.969 -0.630 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.441 4.187 -1.727 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.156 6.211 -2.991 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.668 7.134 -2.672 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.583 5.576 -3.529 1.00 0.00 H new ATOM 963 N ILE A 64 -2.615 6.812 -0.548 1.00 0.00 N ATOM 964 CA ILE A 64 -1.999 8.017 -0.033 1.00 0.00 C ATOM 965 C ILE A 64 -1.621 8.936 -1.187 1.00 0.00 C ATOM 966 O ILE A 64 -1.783 8.573 -2.349 1.00 0.00 O ATOM 967 CB ILE A 64 -0.769 7.647 0.790 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.389 7.315 -0.145 1.00 0.00 C ATOM 969 CG2 ILE A 64 -1.085 6.433 1.660 1.00 0.00 C ATOM 970 CD1 ILE A 64 0.182 5.924 -0.738 1.00 0.00 C ATOM 0 H ILE A 64 -1.957 6.144 -0.950 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.704 8.545 0.610 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.492 8.488 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.451 8.056 -0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.332 7.353 0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.206 6.168 2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.912 6.670 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.363 5.592 1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.010 5.687 -1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.142 5.188 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.753 5.902 -1.297 1.00 0.00 H new ATOM 982 N GLU A 65 -1.116 10.128 -0.862 1.00 0.00 N ATOM 983 CA GLU A 65 -0.718 11.087 -1.873 1.00 0.00 C ATOM 984 C GLU A 65 0.669 11.632 -1.556 1.00 0.00 C ATOM 985 O GLU A 65 0.982 11.905 -0.399 1.00 0.00 O ATOM 986 CB GLU A 65 -1.742 12.217 -1.931 1.00 0.00 C ATOM 987 CG GLU A 65 -1.128 13.424 -2.636 1.00 0.00 C ATOM 988 CD GLU A 65 -2.175 14.503 -2.875 1.00 0.00 C ATOM 989 OE1 GLU A 65 -2.733 14.985 -1.866 1.00 0.00 O ATOM 990 OE2 GLU A 65 -2.397 14.823 -4.062 1.00 0.00 O ATOM 0 H GLU A 65 -0.976 10.445 0.097 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.678 10.598 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.634 11.887 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.055 12.491 -0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.315 13.828 -2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.696 13.114 -3.587 1.00 0.00 H new ATOM 997 N VAL A 66 1.498 11.789 -2.589 1.00 0.00 N ATOM 998 CA VAL A 66 2.844 12.299 -2.419 1.00 0.00 C ATOM 999 C VAL A 66 3.140 13.338 -3.491 1.00 0.00 C ATOM 1000 O VAL A 66 2.549 13.308 -4.568 1.00 0.00 O ATOM 1001 CB VAL A 66 3.839 11.143 -2.496 1.00 0.00 C ATOM 1002 CG1 VAL A 66 3.186 9.873 -1.959 1.00 0.00 C ATOM 1003 CG2 VAL A 66 4.254 10.927 -3.949 1.00 0.00 C ATOM 0 H VAL A 66 1.252 11.567 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 66 2.936 12.776 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 66 4.719 11.379 -1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.896 9.048 -2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.888 10.027 -0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.306 9.635 -2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.964 10.102 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.374 10.690 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.720 11.834 -4.333 1.00 0.00 H new ATOM 1013 N LYS A 67 4.059 14.260 -3.193 1.00 0.00 N ATOM 1014 CA LYS A 67 4.427 15.301 -4.131 1.00 0.00 C ATOM 1015 C LYS A 67 5.666 14.882 -4.910 1.00 0.00 C ATOM 1016 O LYS A 67 6.757 14.795 -4.350 1.00 0.00 O ATOM 1017 CB LYS A 67 4.681 16.601 -3.373 1.00 0.00 C ATOM 1018 CG LYS A 67 5.803 16.389 -2.361 1.00 0.00 C ATOM 1019 CD LYS A 67 5.332 16.830 -0.979 1.00 0.00 C ATOM 1020 CE LYS A 67 5.182 18.348 -0.952 1.00 0.00 C ATOM 1021 NZ LYS A 67 6.477 19.002 -0.711 1.00 0.00 N ATOM 0 H LYS A 67 4.558 14.299 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 67 3.614 15.460 -4.839 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.951 17.394 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.772 16.920 -2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.094 15.339 -2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.685 16.958 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.380 16.356 -0.739 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.047 16.511 -0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.767 18.693 -1.899 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.476 18.633 -0.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.348 20.034 -0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.859 18.689 0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.141 18.747 -1.469 1.00 0.00 H new ATOM 1035 N GLU A 68 5.495 14.621 -6.208 1.00 0.00 N ATOM 1036 CA GLU A 68 6.597 14.214 -7.056 1.00 0.00 C ATOM 1037 C GLU A 68 7.246 15.437 -7.688 1.00 0.00 C ATOM 1038 O GLU A 68 6.600 16.175 -8.429 1.00 0.00 O ATOM 1039 CB GLU A 68 6.086 13.257 -8.130 1.00 0.00 C ATOM 1040 CG GLU A 68 7.024 13.295 -9.332 1.00 0.00 C ATOM 1041 CD GLU A 68 6.665 12.207 -10.335 1.00 0.00 C ATOM 1042 OE1 GLU A 68 6.334 11.095 -9.871 1.00 0.00 O ATOM 1043 OE2 GLU A 68 6.729 12.509 -11.545 1.00 0.00 O ATOM 0 H GLU A 68 4.597 14.687 -6.688 1.00 0.00 H new ATOM 0 HA GLU A 68 7.348 13.700 -6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.028 12.244 -7.732 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.077 13.538 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.967 14.272 -9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.054 13.163 -8.999 1.00 0.00 H new ATOM 1050 N GLY A 69 8.531 15.652 -7.392 1.00 0.00 N ATOM 1051 CA GLY A 69 9.257 16.783 -7.933 1.00 0.00 C ATOM 1052 C GLY A 69 8.476 18.070 -7.706 1.00 0.00 C ATOM 1053 O GLY A 69 8.294 18.498 -6.569 1.00 0.00 O ATOM 0 H GLY A 69 9.082 15.051 -6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.236 16.855 -7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.429 16.637 -8.999 1.00 0.00 H new ATOM 1057 N ASP A 70 8.013 18.686 -8.796 1.00 0.00 N ATOM 1058 CA ASP A 70 7.255 19.918 -8.713 1.00 0.00 C ATOM 1059 C ASP A 70 5.780 19.633 -8.952 1.00 0.00 C ATOM 1060 O ASP A 70 5.096 20.410 -9.616 1.00 0.00 O ATOM 1061 CB ASP A 70 7.788 20.912 -9.741 1.00 0.00 C ATOM 1062 CG ASP A 70 9.247 21.247 -9.467 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.532 21.648 -8.318 1.00 0.00 O ATOM 1064 OD2 ASP A 70 10.052 21.096 -10.413 1.00 0.00 O ATOM 0 H ASP A 70 8.155 18.343 -9.746 1.00 0.00 H new ATOM 0 HA ASP A 70 7.364 20.351 -7.718 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.689 20.494 -10.743 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.190 21.823 -9.715 1.00 0.00 H new ATOM 1069 N ALA A 71 5.290 18.516 -8.412 1.00 0.00 N ATOM 1070 CA ALA A 71 3.901 18.134 -8.570 1.00 0.00 C ATOM 1071 C ALA A 71 3.471 17.256 -7.403 1.00 0.00 C ATOM 1072 O ALA A 71 4.230 17.062 -6.457 1.00 0.00 O ATOM 1073 CB ALA A 71 3.725 17.398 -9.895 1.00 0.00 C ATOM 0 H ALA A 71 5.845 17.862 -7.860 1.00 0.00 H new ATOM 0 HA ALA A 71 3.273 19.025 -8.578 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.681 17.110 -10.015 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.018 18.052 -10.716 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.351 16.505 -9.901 1.00 0.00 H new ATOM 1079 N LYS A 72 2.248 16.725 -7.474 1.00 0.00 N ATOM 1080 CA LYS A 72 1.725 15.872 -6.426 1.00 0.00 C ATOM 1081 C LYS A 72 0.544 15.068 -6.953 1.00 0.00 C ATOM 1082 O LYS A 72 -0.250 15.570 -7.744 1.00 0.00 O ATOM 1083 CB LYS A 72 1.307 16.729 -5.235 1.00 0.00 C ATOM 1084 CG LYS A 72 0.262 17.747 -5.683 1.00 0.00 C ATOM 1085 CD LYS A 72 -1.051 17.486 -4.950 1.00 0.00 C ATOM 1086 CE LYS A 72 -1.916 18.742 -4.994 1.00 0.00 C ATOM 1087 NZ LYS A 72 -1.954 19.402 -3.679 1.00 0.00 N ATOM 0 H LYS A 72 1.606 16.877 -8.252 1.00 0.00 H new ATOM 0 HA LYS A 72 2.497 15.174 -6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.900 16.098 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.175 17.241 -4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.612 18.758 -5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.109 17.677 -6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.579 16.652 -5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.853 17.204 -3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.523 19.433 -5.740 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.928 18.480 -5.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.549 20.253 -3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.351 18.748 -2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.990 19.671 -3.398 1.00 0.00 H new ATOM 1101 N LYS A 73 0.431 13.813 -6.510 1.00 0.00 N ATOM 1102 CA LYS A 73 -0.649 12.948 -6.938 1.00 0.00 C ATOM 1103 C LYS A 73 -0.822 11.806 -5.946 1.00 0.00 C ATOM 1104 O LYS A 73 0.016 11.616 -5.062 1.00 0.00 O ATOM 1105 CB LYS A 73 -0.347 12.411 -8.334 1.00 0.00 C ATOM 1106 CG LYS A 73 1.004 11.702 -8.324 1.00 0.00 C ATOM 1107 CD LYS A 73 1.635 11.788 -9.711 1.00 0.00 C ATOM 1108 CE LYS A 73 1.306 10.523 -10.499 1.00 0.00 C ATOM 1109 NZ LYS A 73 0.515 10.839 -11.698 1.00 0.00 N ATOM 0 H LYS A 73 1.081 13.381 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.580 13.514 -6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.130 11.720 -8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.336 13.228 -9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.661 12.160 -7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.877 10.659 -8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.261 12.665 -10.239 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.715 11.905 -9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.229 10.021 -10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.752 9.830 -9.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.305 9.962 -12.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.375 11.297 -11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.056 11.482 -12.311 1.00 0.00 H new ATOM 1123 N LEU A 74 -1.908 11.048 -6.094 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.203 9.924 -5.204 1.00 0.00 C ATOM 1125 C LEU A 74 -1.637 8.606 -5.738 1.00 0.00 C ATOM 1126 O LEU A 74 -1.713 8.319 -6.931 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.718 9.803 -5.015 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.188 8.477 -4.383 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -4.707 8.692 -2.965 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -5.261 7.815 -5.240 1.00 0.00 C ATOM 0 H LEU A 74 -2.603 11.193 -6.827 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.723 10.122 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.059 10.628 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.201 9.918 -5.985 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.324 7.815 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.031 7.739 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.912 9.108 -2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.550 9.383 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.576 6.882 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.118 8.483 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.858 7.607 -6.231 1.00 0.00 H new ATOM 1142 N TYR A 75 -1.063 7.808 -4.835 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.481 6.533 -5.204 1.00 0.00 C ATOM 1144 C TYR A 75 -1.169 5.411 -4.440 1.00 0.00 C ATOM 1145 O TYR A 75 -1.525 5.576 -3.276 1.00 0.00 O ATOM 1146 CB TYR A 75 1.016 6.554 -4.906 1.00 0.00 C ATOM 1147 CG TYR A 75 1.771 7.604 -5.683 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.458 8.959 -5.518 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.785 7.224 -6.572 1.00 0.00 C ATOM 1150 CE1 TYR A 75 2.159 9.932 -6.239 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.485 8.198 -7.294 1.00 0.00 C ATOM 1152 CZ TYR A 75 3.173 9.552 -7.127 1.00 0.00 C ATOM 1153 OH TYR A 75 3.854 10.501 -7.831 1.00 0.00 O ATOM 0 H TYR A 75 -0.993 8.031 -3.842 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.623 6.358 -6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.164 6.727 -3.840 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.437 5.574 -5.132 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.675 9.253 -4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.027 6.179 -6.700 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.918 10.977 -6.111 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.266 7.904 -7.980 1.00 0.00 H new ATOM 0 HH TYR A 75 4.524 10.068 -8.400 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.353 4.264 -5.099 1.00 0.00 N ATOM 1164 CA GLU A 76 -1.994 3.122 -4.478 1.00 0.00 C ATOM 1165 C GLU A 76 -0.942 2.190 -3.894 1.00 0.00 C ATOM 1166 O GLU A 76 -0.448 1.299 -4.580 1.00 0.00 O ATOM 1167 CB GLU A 76 -2.848 2.395 -5.513 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.570 3.417 -6.386 1.00 0.00 C ATOM 1169 CD GLU A 76 -4.989 3.650 -5.888 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -5.813 2.726 -6.069 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -5.224 4.745 -5.335 1.00 0.00 O ATOM 0 H GLU A 76 -1.063 4.110 -6.065 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.638 3.460 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.221 1.752 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.572 1.751 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.020 4.358 -6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.595 3.067 -7.418 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.602 2.399 -2.620 1.00 0.00 N ATOM 1179 CA ALA A 77 0.386 1.580 -1.949 1.00 0.00 C ATOM 1180 C ALA A 77 -0.217 0.226 -1.600 1.00 0.00 C ATOM 1181 O ALA A 77 -1.060 0.130 -0.712 1.00 0.00 O ATOM 1182 CB ALA A 77 0.871 2.296 -0.692 1.00 0.00 C ATOM 0 H ALA A 77 -1.004 3.134 -2.038 1.00 0.00 H new ATOM 0 HA ALA A 77 1.238 1.417 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.615 1.680 -0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.318 3.252 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.028 2.469 -0.023 1.00 0.00 H new ATOM 1188 N LYS A 78 0.219 -0.822 -2.303 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.279 -2.161 -2.065 1.00 0.00 C ATOM 1190 C LYS A 78 0.795 -3.001 -1.388 1.00 0.00 C ATOM 1191 O LYS A 78 1.872 -3.203 -1.946 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.702 -2.790 -3.389 1.00 0.00 C ATOM 1193 CG LYS A 78 -1.614 -1.825 -4.140 1.00 0.00 C ATOM 1194 CD LYS A 78 -2.763 -1.398 -3.230 1.00 0.00 C ATOM 1195 CE LYS A 78 -3.620 -0.358 -3.947 1.00 0.00 C ATOM 1196 NZ LYS A 78 -3.892 -0.763 -5.334 1.00 0.00 N ATOM 0 H LYS A 78 0.919 -0.759 -3.042 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.146 -2.117 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.176 -3.021 -3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.221 -3.731 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.049 -0.951 -4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.006 -2.302 -5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.370 -2.263 -2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.371 -0.984 -2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.561 -0.226 -3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.111 0.606 -3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.761 -0.299 -5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.095 -0.482 -5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.012 -1.795 -5.377 1.00 0.00 H new ATOM 1210 N VAL A 79 0.501 -3.490 -0.182 1.00 0.00 N ATOM 1211 CA VAL A 79 1.439 -4.303 0.566 1.00 0.00 C ATOM 1212 C VAL A 79 0.841 -5.680 0.815 1.00 0.00 C ATOM 1213 O VAL A 79 -0.377 -5.836 0.837 1.00 0.00 O ATOM 1214 CB VAL A 79 1.774 -3.611 1.884 1.00 0.00 C ATOM 1215 CG1 VAL A 79 2.763 -4.466 2.670 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.397 -2.248 1.598 1.00 0.00 C ATOM 0 H VAL A 79 -0.387 -3.331 0.293 1.00 0.00 H new ATOM 0 HA VAL A 79 2.358 -4.426 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 79 0.863 -3.480 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.003 -3.972 3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.320 -5.441 2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.674 -4.597 2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.637 -1.753 2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.308 -2.380 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.692 -1.636 1.036 1.00 0.00 H new ATOM 1226 N TRP A 80 1.704 -6.681 1.004 1.00 0.00 N ATOM 1227 CA TRP A 80 1.253 -8.037 1.253 1.00 0.00 C ATOM 1228 C TRP A 80 2.051 -8.646 2.398 1.00 0.00 C ATOM 1229 O TRP A 80 3.156 -9.144 2.193 1.00 0.00 O ATOM 1230 CB TRP A 80 1.413 -8.865 -0.018 1.00 0.00 C ATOM 1231 CG TRP A 80 0.671 -10.164 -0.020 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.442 -10.428 0.698 1.00 0.00 C ATOM 1233 CD2 TRP A 80 0.967 -11.387 -0.761 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -0.852 -11.722 0.453 1.00 0.00 N ATOM 1235 CE2 TRP A 80 -0.017 -12.360 -0.440 1.00 0.00 C ATOM 1236 CE3 TRP A 80 1.967 -11.774 -1.671 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 -0.012 -13.645 -0.990 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 1.983 -13.060 -2.228 1.00 0.00 C ATOM 1239 CH2 TRP A 80 0.997 -13.996 -1.891 1.00 0.00 C ATOM 0 H TRP A 80 2.718 -6.570 0.988 1.00 0.00 H new ATOM 0 HA TRP A 80 0.200 -8.028 1.536 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.077 -8.270 -0.867 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.473 -9.068 -0.171 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.935 -9.733 1.362 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.672 -12.154 0.880 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.736 -11.068 -1.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.778 -14.358 -0.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.763 -13.332 -2.924 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.016 -14.985 -2.325 1.00 0.00 H new ATOM 1250 N GLU A 81 1.486 -8.605 3.607 1.00 0.00 N ATOM 1251 CA GLU A 81 2.145 -9.152 4.775 1.00 0.00 C ATOM 1252 C GLU A 81 1.401 -10.388 5.261 1.00 0.00 C ATOM 1253 O GLU A 81 0.268 -10.634 4.853 1.00 0.00 O ATOM 1254 CB GLU A 81 2.205 -8.090 5.869 1.00 0.00 C ATOM 1255 CG GLU A 81 0.847 -7.404 5.983 1.00 0.00 C ATOM 1256 CD GLU A 81 0.077 -7.920 7.191 1.00 0.00 C ATOM 1257 OE1 GLU A 81 0.711 -8.036 8.261 1.00 0.00 O ATOM 1258 OE2 GLU A 81 -1.132 -8.188 7.020 1.00 0.00 O ATOM 0 H GLU A 81 0.571 -8.195 3.794 1.00 0.00 H new ATOM 0 HA GLU A 81 3.162 -9.446 4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.475 -8.547 6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.977 -7.356 5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.986 -6.326 6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.269 -7.580 5.076 1.00 0.00 H new ATOM 1265 N LYS A 82 2.041 -11.165 6.136 1.00 0.00 N ATOM 1266 CA LYS A 82 1.438 -12.368 6.674 1.00 0.00 C ATOM 1267 C LYS A 82 1.823 -12.531 8.137 1.00 0.00 C ATOM 1268 O LYS A 82 2.997 -12.701 8.459 1.00 0.00 O ATOM 1269 CB LYS A 82 1.895 -13.573 5.857 1.00 0.00 C ATOM 1270 CG LYS A 82 1.892 -13.213 4.375 1.00 0.00 C ATOM 1271 CD LYS A 82 2.680 -14.262 3.595 1.00 0.00 C ATOM 1272 CE LYS A 82 1.888 -14.680 2.359 1.00 0.00 C ATOM 1273 NZ LYS A 82 2.769 -15.271 1.341 1.00 0.00 N ATOM 0 H LYS A 82 2.981 -10.975 6.484 1.00 0.00 H new ATOM 0 HA LYS A 82 0.352 -12.293 6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.895 -13.877 6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.234 -14.420 6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.868 -13.162 4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.334 -12.227 4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.649 -13.859 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.874 -15.129 4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.120 -15.400 2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.375 -13.814 1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.205 -15.546 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.487 -14.574 1.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.239 -16.111 1.734 1.00 0.00 H new ATOM 1287 N PRO A 83 0.828 -12.479 9.025 1.00 0.00 N ATOM 1288 CA PRO A 83 1.003 -12.616 10.455 1.00 0.00 C ATOM 1289 C PRO A 83 1.324 -14.065 10.795 1.00 0.00 C ATOM 1290 O PRO A 83 2.238 -14.335 11.571 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.338 -12.199 11.056 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.333 -12.590 9.965 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.565 -12.281 8.683 1.00 0.00 C ATOM 0 HA PRO A 83 1.822 -12.009 10.841 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.540 -12.718 11.993 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.371 -11.131 11.270 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.609 -13.643 10.028 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.256 -12.014 10.033 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.870 -12.941 7.871 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.748 -11.260 8.349 1.00 0.00 H new ATOM 1301 N TRP A 84 0.569 -14.997 10.210 1.00 0.00 N ATOM 1302 CA TRP A 84 0.780 -16.411 10.455 1.00 0.00 C ATOM 1303 C TRP A 84 2.263 -16.737 10.357 1.00 0.00 C ATOM 1304 O TRP A 84 2.699 -17.801 10.792 1.00 0.00 O ATOM 1305 CB TRP A 84 -0.022 -17.226 9.444 1.00 0.00 C ATOM 1306 CG TRP A 84 0.546 -17.248 8.061 1.00 0.00 C ATOM 1307 CD1 TRP A 84 1.559 -18.040 7.646 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.157 -16.455 6.898 1.00 0.00 C ATOM 1309 NE1 TRP A 84 1.820 -17.795 6.315 1.00 0.00 N ATOM 1310 CE2 TRP A 84 0.984 -16.824 5.802 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.809 -15.463 6.658 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 0.861 -16.241 4.538 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -0.941 -14.872 5.393 1.00 0.00 C ATOM 1314 CH2 TRP A 84 -0.111 -15.257 4.334 1.00 0.00 C ATOM 0 H TRP A 84 -0.193 -14.790 9.564 1.00 0.00 H new ATOM 0 HA TRP A 84 0.440 -16.665 11.459 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.100 -18.251 9.806 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.035 -16.826 9.399 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.084 -18.755 8.262 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.542 -18.272 5.776 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.460 -15.151 7.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.508 -16.547 3.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.691 -14.112 5.234 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.221 -14.796 3.364 1.00 0.00 H new ATOM 1325 N MET A 85 3.041 -15.816 9.783 1.00 0.00 N ATOM 1326 CA MET A 85 4.468 -16.012 9.630 1.00 0.00 C ATOM 1327 C MET A 85 5.189 -14.676 9.744 1.00 0.00 C ATOM 1328 O MET A 85 6.381 -14.583 9.456 1.00 0.00 O ATOM 1329 CB MET A 85 4.749 -16.664 8.279 1.00 0.00 C ATOM 1330 CG MET A 85 4.431 -15.676 7.161 1.00 0.00 C ATOM 1331 SD MET A 85 4.651 -16.353 5.497 1.00 0.00 S ATOM 1332 CE MET A 85 6.451 -16.536 5.493 1.00 0.00 C ATOM 0 H MET A 85 2.697 -14.928 9.418 1.00 0.00 H new ATOM 0 HA MET A 85 4.835 -16.668 10.419 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.793 -16.971 8.222 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.146 -17.565 8.165 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.401 -15.337 7.271 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.068 -14.799 7.273 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.797 -16.704 4.473 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.910 -15.629 5.888 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.732 -17.385 6.116 1.00 0.00 H new ATOM 1342 N ASP A 86 4.462 -13.639 10.164 1.00 0.00 N ATOM 1343 CA ASP A 86 5.032 -12.315 10.312 1.00 0.00 C ATOM 1344 C ASP A 86 5.932 -12.006 9.125 1.00 0.00 C ATOM 1345 O ASP A 86 7.147 -12.174 9.203 1.00 0.00 O ATOM 1346 CB ASP A 86 5.817 -12.245 11.619 1.00 0.00 C ATOM 1347 CG ASP A 86 5.037 -11.484 12.682 1.00 0.00 C ATOM 1348 OD1 ASP A 86 4.551 -10.381 12.349 1.00 0.00 O ATOM 1349 OD2 ASP A 86 4.942 -12.019 13.808 1.00 0.00 O ATOM 0 H ASP A 86 3.473 -13.700 10.407 1.00 0.00 H new ATOM 0 HA ASP A 86 4.235 -11.572 10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.033 -13.253 11.973 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.776 -11.756 11.446 1.00 0.00 H new ATOM 1354 N PHE A 87 5.331 -11.552 8.022 1.00 0.00 N ATOM 1355 CA PHE A 87 6.082 -11.223 6.827 1.00 0.00 C ATOM 1356 C PHE A 87 5.480 -9.993 6.161 1.00 0.00 C ATOM 1357 O PHE A 87 4.502 -9.434 6.652 1.00 0.00 O ATOM 1358 CB PHE A 87 6.067 -12.415 5.874 1.00 0.00 C ATOM 1359 CG PHE A 87 6.523 -12.074 4.475 1.00 0.00 C ATOM 1360 CD1 PHE A 87 7.890 -12.040 4.173 1.00 0.00 C ATOM 1361 CD2 PHE A 87 5.578 -11.796 3.480 1.00 0.00 C ATOM 1362 CE1 PHE A 87 8.311 -11.726 2.875 1.00 0.00 C ATOM 1363 CE2 PHE A 87 6.000 -11.483 2.182 1.00 0.00 C ATOM 1364 CZ PHE A 87 7.366 -11.448 1.880 1.00 0.00 C ATOM 0 H PHE A 87 4.325 -11.407 7.941 1.00 0.00 H new ATOM 0 HA PHE A 87 7.115 -10.999 7.092 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.709 -13.199 6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.057 -12.822 5.829 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.619 -12.256 4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.524 -11.823 3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.365 -11.698 2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.271 -11.269 1.414 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.691 -11.206 0.879 1.00 0.00 H new ATOM 1374 N LYS A 88 6.069 -9.572 5.040 1.00 0.00 N ATOM 1375 CA LYS A 88 5.589 -8.412 4.315 1.00 0.00 C ATOM 1376 C LYS A 88 6.430 -8.199 3.065 1.00 0.00 C ATOM 1377 O LYS A 88 7.615 -8.524 3.046 1.00 0.00 O ATOM 1378 CB LYS A 88 5.648 -7.186 5.221 1.00 0.00 C ATOM 1379 CG LYS A 88 7.095 -6.925 5.630 1.00 0.00 C ATOM 1380 CD LYS A 88 7.277 -5.442 5.940 1.00 0.00 C ATOM 1381 CE LYS A 88 7.694 -5.274 7.398 1.00 0.00 C ATOM 1382 NZ LYS A 88 6.692 -5.856 8.303 1.00 0.00 N ATOM 0 H LYS A 88 6.881 -10.024 4.620 1.00 0.00 H new ATOM 0 HA LYS A 88 4.555 -8.573 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.243 -6.317 4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.032 -7.344 6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.351 -7.524 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.770 -7.225 4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.033 -5.012 5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.348 -4.904 5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.659 -5.754 7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.822 -4.215 7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.656 -5.303 9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.759 -5.839 7.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.952 -6.839 8.522 1.00 0.00 H new ATOM 1396 N GLU A 89 5.811 -7.649 2.015 1.00 0.00 N ATOM 1397 CA GLU A 89 6.505 -7.396 0.770 1.00 0.00 C ATOM 1398 C GLU A 89 5.725 -6.387 -0.063 1.00 0.00 C ATOM 1399 O GLU A 89 4.608 -6.669 -0.497 1.00 0.00 O ATOM 1400 CB GLU A 89 6.677 -8.707 0.008 1.00 0.00 C ATOM 1401 CG GLU A 89 7.780 -8.549 -1.034 1.00 0.00 C ATOM 1402 CD GLU A 89 8.334 -9.904 -1.448 1.00 0.00 C ATOM 1403 OE1 GLU A 89 7.512 -10.751 -1.860 1.00 0.00 O ATOM 1404 OE2 GLU A 89 9.569 -10.068 -1.345 1.00 0.00 O ATOM 0 H GLU A 89 4.829 -7.374 2.013 1.00 0.00 H new ATOM 0 HA GLU A 89 7.490 -6.979 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.928 -9.512 0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.741 -8.984 -0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.388 -8.029 -1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.582 -7.932 -0.629 1.00 0.00 H new ATOM 1411 N LEU A 90 6.317 -5.213 -0.283 1.00 0.00 N ATOM 1412 CA LEU A 90 5.677 -4.149 -1.057 1.00 0.00 C ATOM 1413 C LEU A 90 5.411 -4.573 -2.503 1.00 0.00 C ATOM 1414 O LEU A 90 6.301 -5.058 -3.197 1.00 0.00 O ATOM 1415 CB LEU A 90 6.558 -2.896 -1.035 1.00 0.00 C ATOM 1416 CG LEU A 90 5.861 -1.605 -1.508 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.121 -1.825 -2.825 1.00 0.00 C ATOM 1418 CD2 LEU A 90 4.900 -1.083 -0.445 1.00 0.00 C ATOM 0 H LEU A 90 7.245 -4.974 0.066 1.00 0.00 H new ATOM 0 HA LEU A 90 4.713 -3.935 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.923 -2.744 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.431 -3.072 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 90 6.636 -0.857 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.640 -0.896 -3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.829 -2.138 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.365 -2.599 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.421 -0.172 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.139 -1.836 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.452 -0.867 0.470 1.00 0.00 H new ATOM 1430 N GLN A 91 4.165 -4.386 -2.947 1.00 0.00 N ATOM 1431 CA GLN A 91 3.771 -4.750 -4.293 1.00 0.00 C ATOM 1432 C GLN A 91 3.952 -3.558 -5.223 1.00 0.00 C ATOM 1433 O GLN A 91 4.481 -3.698 -6.323 1.00 0.00 O ATOM 1434 CB GLN A 91 2.319 -5.217 -4.289 1.00 0.00 C ATOM 1435 CG GLN A 91 2.221 -6.567 -3.584 1.00 0.00 C ATOM 1436 CD GLN A 91 2.680 -7.692 -4.501 1.00 0.00 C ATOM 1437 OE1 GLN A 91 3.519 -7.480 -5.374 1.00 0.00 O ATOM 1438 NE2 GLN A 91 2.127 -8.891 -4.300 1.00 0.00 N ATOM 0 H GLN A 91 3.416 -3.982 -2.385 1.00 0.00 H new ATOM 0 HA GLN A 91 4.399 -5.565 -4.652 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.691 -4.484 -3.783 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.950 -5.301 -5.311 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.832 -6.556 -2.681 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.192 -6.744 -3.271 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.434 -9.016 -3.562 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.397 -9.682 -4.885 1.00 0.00 H new ATOM 1447 N GLU A 92 3.509 -2.380 -4.777 1.00 0.00 N ATOM 1448 CA GLU A 92 3.625 -1.172 -5.570 1.00 0.00 C ATOM 1449 C GLU A 92 2.715 -0.091 -5.005 1.00 0.00 C ATOM 1450 O GLU A 92 1.562 -0.355 -4.672 1.00 0.00 O ATOM 1451 CB GLU A 92 3.265 -1.481 -7.020 1.00 0.00 C ATOM 1452 CG GLU A 92 4.530 -1.475 -7.871 1.00 0.00 C ATOM 1453 CD GLU A 92 4.359 -2.352 -9.103 1.00 0.00 C ATOM 1454 OE1 GLU A 92 3.302 -2.215 -9.756 1.00 0.00 O ATOM 1455 OE2 GLU A 92 5.291 -3.143 -9.370 1.00 0.00 O ATOM 0 H GLU A 92 3.067 -2.246 -3.868 1.00 0.00 H new ATOM 0 HA GLU A 92 4.651 -0.807 -5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.775 -2.452 -7.085 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.558 -0.742 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.764 -0.455 -8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.373 -1.832 -7.279 1.00 0.00 H new ATOM 1462 N PHE A 93 3.238 1.134 -4.900 1.00 0.00 N ATOM 1463 CA PHE A 93 2.471 2.248 -4.379 1.00 0.00 C ATOM 1464 C PHE A 93 2.431 3.372 -5.405 1.00 0.00 C ATOM 1465 O PHE A 93 3.229 4.304 -5.339 1.00 0.00 O ATOM 1466 CB PHE A 93 3.099 2.728 -3.073 1.00 0.00 C ATOM 1467 CG PHE A 93 4.186 3.757 -3.269 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.383 3.400 -3.900 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.995 5.070 -2.823 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.390 4.355 -4.084 1.00 0.00 C ATOM 1471 CE2 PHE A 93 5.001 6.025 -3.007 1.00 0.00 C ATOM 1472 CZ PHE A 93 6.199 5.668 -3.637 1.00 0.00 C ATOM 0 H PHE A 93 4.192 1.371 -5.172 1.00 0.00 H new ATOM 0 HA PHE A 93 1.448 1.930 -4.180 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.320 3.151 -2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.513 1.871 -2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.530 2.387 -4.245 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.071 5.346 -2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.314 4.079 -4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.853 7.038 -2.663 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.976 6.405 -3.778 1.00 0.00 H new ATOM 1482 N LYS A 94 1.498 3.282 -6.354 1.00 0.00 N ATOM 1483 CA LYS A 94 1.360 4.289 -7.386 1.00 0.00 C ATOM 1484 C LYS A 94 -0.028 4.208 -8.006 1.00 0.00 C ATOM 1485 O LYS A 94 -0.711 3.194 -7.878 1.00 0.00 O ATOM 1486 CB LYS A 94 2.437 4.082 -8.446 1.00 0.00 C ATOM 1487 CG LYS A 94 2.489 2.608 -8.837 1.00 0.00 C ATOM 1488 CD LYS A 94 3.787 2.325 -9.587 1.00 0.00 C ATOM 1489 CE LYS A 94 3.726 2.966 -10.971 1.00 0.00 C ATOM 1490 NZ LYS A 94 5.006 2.816 -11.680 1.00 0.00 N ATOM 0 H LYS A 94 0.828 2.516 -6.422 1.00 0.00 H new ATOM 0 HA LYS A 94 1.484 5.280 -6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.223 4.694 -9.322 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.406 4.402 -8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.427 1.982 -7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.633 2.357 -9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.636 2.720 -9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.939 1.250 -9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.928 2.506 -11.554 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.482 4.024 -10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.938 3.260 -12.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.762 3.276 -11.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.225 1.805 -11.791 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.445 5.283 -8.679 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.732 5.387 -9.335 1.00 0.00 C ATOM 1506 C PRO A 95 -1.741 4.515 -10.582 1.00 0.00 C ATOM 1507 O PRO A 95 -2.724 4.493 -11.320 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.867 6.864 -9.700 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.415 7.294 -9.913 1.00 0.00 C ATOM 1510 CD PRO A 95 0.331 6.492 -8.849 1.00 0.00 C ATOM 0 HA PRO A 95 -2.557 5.052 -8.706 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.467 7.005 -10.599 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.346 7.435 -8.905 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.066 7.057 -10.918 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.286 8.368 -9.776 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.349 6.266 -9.167 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.405 7.048 -7.915 1.00 0.00 H new ATOM 1518 N VAL A 96 -0.641 3.795 -10.817 1.00 0.00 N ATOM 1519 CA VAL A 96 -0.527 2.927 -11.972 1.00 0.00 C ATOM 1520 C VAL A 96 -0.783 3.725 -13.243 1.00 0.00 C ATOM 1521 O VAL A 96 -1.917 3.810 -13.707 1.00 0.00 O ATOM 1522 CB VAL A 96 -1.524 1.778 -11.845 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -1.451 0.902 -13.091 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -1.181 0.943 -10.614 1.00 0.00 C ATOM 0 H VAL A 96 0.182 3.802 -10.215 1.00 0.00 H new ATOM 0 HA VAL A 96 0.480 2.513 -12.023 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.532 2.180 -11.743 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.163 0.081 -13.001 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.695 1.499 -13.970 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.444 0.499 -13.194 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.892 0.122 -10.522 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.173 0.541 -10.717 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.233 1.569 -9.724 1.00 0.00 H new