USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=17 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 Set 1.1: A 73 LYS NZ :NH3+ 159:sc= -0.0168 (180deg=-0.228) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc=-0.000717 USER MOD Single : A 17 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.1!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -3.34! C(o=-7.9!,f=-3.3!) USER MOD Single : A 32 THR OG1 : rot 91:sc= 0.552 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -3.42! C(o=-5!,f=-3.4!) USER MOD Single : A 35 ASN : amide:sc= -3.59! C(o=-3.6!,f=-7.4!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.0018) USER MOD Single : A 40 SER OG : rot 180:sc= -0.189 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 36:sc= 0.779 USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0273) USER MOD Single : A 52 GLN :FLIP amide:sc= -2.98! C(o=-3.5!,f=-3!) USER MOD Single : A 53 GLN : amide:sc= -1.06 K(o=-1.1,f=-5.8!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -1.48 USER MOD Single : A 61 TYR OH : rot 90:sc= -1.87 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 78 LYS NZ :NH3+ 145:sc= -16.4! (180deg=-17.9!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -167:sc=-0.00381 (180deg=-0.239) USER MOD Single : A 88 LYS NZ :NH3+ 151:sc= -0.6 (180deg=-1.96!) USER MOD Single : A 91 GLN : amide:sc= -0.07 K(o=-0.07,f=-1.2!) USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= -0.341 (180deg=-0.398) USER MOD ----------------------------------------------------------------- ATOM 147 N GLU A 13 -12.757 -4.804 2.547 1.00 0.00 N ATOM 148 CA GLU A 13 -13.135 -4.014 3.701 1.00 0.00 C ATOM 149 C GLU A 13 -12.392 -2.685 3.687 1.00 0.00 C ATOM 150 O GLU A 13 -11.202 -2.631 3.984 1.00 0.00 O ATOM 151 CB GLU A 13 -12.821 -4.795 4.974 1.00 0.00 C ATOM 152 CG GLU A 13 -14.063 -4.849 5.858 1.00 0.00 C ATOM 153 CD GLU A 13 -13.921 -5.919 6.930 1.00 0.00 C ATOM 154 OE1 GLU A 13 -13.681 -7.083 6.542 1.00 0.00 O ATOM 155 OE2 GLU A 13 -14.056 -5.554 8.118 1.00 0.00 O ATOM 0 HA GLU A 13 -14.205 -3.808 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.496 -5.805 4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.000 -4.320 5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.223 -3.878 6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.941 -5.056 5.246 1.00 0.00 H new ATOM 162 N PRO A 14 -13.103 -1.609 3.341 1.00 0.00 N ATOM 163 CA PRO A 14 -12.569 -0.266 3.273 1.00 0.00 C ATOM 164 C PRO A 14 -12.328 0.259 4.681 1.00 0.00 C ATOM 165 O PRO A 14 -13.132 0.022 5.580 1.00 0.00 O ATOM 166 CB PRO A 14 -13.646 0.549 2.561 1.00 0.00 C ATOM 167 CG PRO A 14 -14.934 -0.170 2.961 1.00 0.00 C ATOM 168 CD PRO A 14 -14.506 -1.636 2.985 1.00 0.00 C ATOM 0 HA PRO A 14 -11.616 -0.215 2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.646 1.590 2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.503 0.552 1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.298 0.162 3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.736 0.006 2.244 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.087 -2.205 3.711 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.658 -2.108 2.014 1.00 0.00 H new ATOM 176 N VAL A 15 -11.216 0.973 4.873 1.00 0.00 N ATOM 177 CA VAL A 15 -10.875 1.525 6.168 1.00 0.00 C ATOM 178 C VAL A 15 -10.003 2.759 5.987 1.00 0.00 C ATOM 179 O VAL A 15 -9.943 3.327 4.899 1.00 0.00 O ATOM 180 CB VAL A 15 -10.151 0.468 6.996 1.00 0.00 C ATOM 181 CG1 VAL A 15 -8.790 0.175 6.370 1.00 0.00 C ATOM 182 CG2 VAL A 15 -9.956 0.982 8.419 1.00 0.00 C ATOM 0 H VAL A 15 -10.539 1.178 4.138 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.783 1.819 6.694 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.745 -0.446 7.018 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.272 -0.580 6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.929 -0.193 5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.196 1.088 6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.439 0.227 9.011 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.362 1.896 8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.928 1.191 8.867 1.00 0.00 H new ATOM 192 N GLY A 16 -9.325 3.175 7.059 1.00 0.00 N ATOM 193 CA GLY A 16 -8.462 4.338 7.011 1.00 0.00 C ATOM 194 C GLY A 16 -7.976 4.695 8.408 1.00 0.00 C ATOM 195 O GLY A 16 -7.560 3.822 9.167 1.00 0.00 O ATOM 0 H GLY A 16 -9.363 2.716 7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.609 4.139 6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.001 5.181 6.580 1.00 0.00 H new ATOM 199 N ASN A 17 -8.030 5.984 8.748 1.00 0.00 N ATOM 200 CA ASN A 17 -7.597 6.450 10.051 1.00 0.00 C ATOM 201 C ASN A 17 -6.127 6.113 10.259 1.00 0.00 C ATOM 202 O ASN A 17 -5.797 5.054 10.789 1.00 0.00 O ATOM 203 CB ASN A 17 -8.458 5.803 11.133 1.00 0.00 C ATOM 204 CG ASN A 17 -9.797 6.514 11.256 1.00 0.00 C ATOM 205 OD1 ASN A 17 -9.862 7.739 11.181 1.00 0.00 O ATOM 206 ND2 ASN A 17 -10.870 5.742 11.447 1.00 0.00 N ATOM 0 H ASN A 17 -8.372 6.721 8.131 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.712 7.532 10.111 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.620 4.752 10.895 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.935 5.836 12.089 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.793 6.166 11.537 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.766 4.729 11.503 1.00 0.00 H new ATOM 213 N GLU A 18 -5.242 7.019 9.840 1.00 0.00 N ATOM 214 CA GLU A 18 -3.814 6.815 9.984 1.00 0.00 C ATOM 215 C GLU A 18 -3.472 6.554 11.444 1.00 0.00 C ATOM 216 O GLU A 18 -2.312 6.337 11.784 1.00 0.00 O ATOM 217 CB GLU A 18 -3.071 8.043 9.465 1.00 0.00 C ATOM 218 CG GLU A 18 -3.477 9.266 10.282 1.00 0.00 C ATOM 219 CD GLU A 18 -3.095 10.551 9.561 1.00 0.00 C ATOM 220 OE1 GLU A 18 -1.898 10.679 9.225 1.00 0.00 O ATOM 221 OE2 GLU A 18 -4.006 11.382 9.361 1.00 0.00 O ATOM 0 H GLU A 18 -5.498 7.902 9.398 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.507 5.947 9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.995 7.887 9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.302 8.203 8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.552 9.249 10.459 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.993 9.234 11.258 1.00 0.00 H new ATOM 228 N ASN A 19 -4.489 6.576 12.308 1.00 0.00 N ATOM 229 CA ASN A 19 -4.292 6.340 13.725 1.00 0.00 C ATOM 230 C ASN A 19 -3.643 4.980 13.940 1.00 0.00 C ATOM 231 O ASN A 19 -3.008 4.746 14.965 1.00 0.00 O ATOM 232 CB ASN A 19 -5.635 6.418 14.443 1.00 0.00 C ATOM 233 CG ASN A 19 -5.714 7.663 15.315 1.00 0.00 C ATOM 234 OD1 ASN A 19 -5.547 7.584 16.530 1.00 0.00 O ATOM 235 ND2 ASN A 19 -5.967 8.815 14.692 1.00 0.00 N ATOM 0 H ASN A 19 -5.457 6.756 12.042 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.630 7.103 14.135 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.443 6.430 13.711 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.775 5.529 15.058 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.029 9.681 15.227 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.098 8.830 13.681 1.00 0.00 H new ATOM 242 N ASP A 20 -3.805 4.082 12.965 1.00 0.00 N ATOM 243 CA ASP A 20 -3.237 2.751 13.050 1.00 0.00 C ATOM 244 C ASP A 20 -1.841 2.748 12.446 1.00 0.00 C ATOM 245 O ASP A 20 -1.683 2.499 11.249 1.00 0.00 O ATOM 246 CB ASP A 20 -4.145 1.764 12.322 1.00 0.00 C ATOM 247 CG ASP A 20 -5.411 1.497 13.123 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.307 0.745 14.116 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.461 2.049 12.728 1.00 0.00 O ATOM 0 H ASP A 20 -4.328 4.262 12.108 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.160 2.449 14.095 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.407 2.161 11.341 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.612 0.828 12.155 1.00 0.00 H new ATOM 254 N LEU A 21 -0.831 3.023 13.270 1.00 0.00 N ATOM 255 CA LEU A 21 0.559 3.065 12.818 1.00 0.00 C ATOM 256 C LEU A 21 0.870 1.948 11.818 1.00 0.00 C ATOM 257 O LEU A 21 1.486 2.189 10.780 1.00 0.00 O ATOM 258 CB LEU A 21 1.496 2.960 14.024 1.00 0.00 C ATOM 259 CG LEU A 21 1.377 1.648 14.825 1.00 0.00 C ATOM 260 CD1 LEU A 21 2.747 1.015 15.060 1.00 0.00 C ATOM 261 CD2 LEU A 21 0.672 1.883 16.156 1.00 0.00 C ATOM 0 H LEU A 21 -0.951 3.222 14.263 1.00 0.00 H new ATOM 0 HA LEU A 21 0.715 4.016 12.308 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.524 3.065 13.677 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.298 3.797 14.694 1.00 0.00 H new ATOM 0 HG LEU A 21 0.778 0.957 14.231 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.629 0.092 15.627 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.215 0.794 14.101 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.376 1.707 15.620 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.601 0.942 16.701 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.239 2.602 16.746 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.329 2.273 15.973 1.00 0.00 H new ATOM 273 N HIS A 22 0.438 0.727 12.151 1.00 0.00 N ATOM 274 CA HIS A 22 0.649 -0.444 11.298 1.00 0.00 C ATOM 275 C HIS A 22 0.328 -0.106 9.831 1.00 0.00 C ATOM 276 O HIS A 22 1.219 -0.182 8.984 1.00 0.00 O ATOM 277 CB HIS A 22 -0.201 -1.622 11.791 1.00 0.00 C ATOM 278 CG HIS A 22 -0.337 -2.716 10.775 1.00 0.00 C ATOM 279 ND1 HIS A 22 -0.640 -2.669 9.455 1.00 0.00 N flip ATOM 280 CD2 HIS A 22 -0.142 -4.048 11.076 1.00 0.00 C flip ATOM 281 CE1 HIS A 22 -0.623 -3.962 8.990 1.00 0.00 C flip ATOM 282 NE2 HIS A 22 -0.318 -4.774 9.985 1.00 0.00 N flip ATOM 0 H HIS A 22 -0.065 0.525 13.015 1.00 0.00 H new ATOM 0 HA HIS A 22 1.698 -0.735 11.355 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.246 -2.030 12.698 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.193 -1.259 12.060 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.114 -4.437 12.050 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.827 -4.265 7.974 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.233 -5.789 9.923 1.00 0.00 H new ATOM 291 N LEU A 23 -0.924 0.247 9.539 1.00 0.00 N ATOM 292 CA LEU A 23 -1.349 0.565 8.176 1.00 0.00 C ATOM 293 C LEU A 23 -0.425 1.587 7.510 1.00 0.00 C ATOM 294 O LEU A 23 0.143 1.334 6.450 1.00 0.00 O ATOM 295 CB LEU A 23 -2.785 1.096 8.195 1.00 0.00 C ATOM 296 CG LEU A 23 -3.666 0.540 9.335 1.00 0.00 C ATOM 297 CD1 LEU A 23 -5.143 0.828 9.084 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.445 -0.958 9.513 1.00 0.00 C ATOM 0 H LEU A 23 -1.667 0.320 10.234 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.299 -0.353 7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.755 2.183 8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.257 0.860 7.242 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.371 1.047 10.254 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.737 0.424 9.904 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.298 1.905 9.020 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.451 0.361 8.149 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.077 -1.325 10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.701 -1.476 8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.399 -1.145 9.756 1.00 0.00 H new ATOM 310 N VAL A 24 -0.284 2.751 8.149 1.00 0.00 N ATOM 311 CA VAL A 24 0.558 3.811 7.630 1.00 0.00 C ATOM 312 C VAL A 24 1.925 3.252 7.268 1.00 0.00 C ATOM 313 O VAL A 24 2.443 3.524 6.187 1.00 0.00 O ATOM 314 CB VAL A 24 0.684 4.916 8.675 1.00 0.00 C ATOM 315 CG1 VAL A 24 1.965 5.707 8.427 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.518 5.850 8.575 1.00 0.00 C ATOM 0 H VAL A 24 -0.748 2.976 9.029 1.00 0.00 H new ATOM 0 HA VAL A 24 0.109 4.230 6.729 1.00 0.00 H new ATOM 0 HB VAL A 24 0.718 4.473 9.670 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.055 6.496 9.173 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.824 5.040 8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.932 6.150 7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.428 6.639 9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.552 6.294 7.580 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.433 5.285 8.752 1.00 0.00 H new ATOM 326 N ASP A 25 2.512 2.467 8.175 1.00 0.00 N ATOM 327 CA ASP A 25 3.815 1.876 7.947 1.00 0.00 C ATOM 328 C ASP A 25 3.885 1.315 6.533 1.00 0.00 C ATOM 329 O ASP A 25 4.875 1.525 5.831 1.00 0.00 O ATOM 330 CB ASP A 25 4.061 0.778 8.977 1.00 0.00 C ATOM 331 CG ASP A 25 5.484 0.247 8.877 1.00 0.00 C ATOM 332 OD1 ASP A 25 5.809 -0.308 7.805 1.00 0.00 O ATOM 333 OD2 ASP A 25 6.221 0.408 9.873 1.00 0.00 O ATOM 0 H ASP A 25 2.096 2.231 9.076 1.00 0.00 H new ATOM 0 HA ASP A 25 4.589 2.636 8.054 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.884 1.168 9.979 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.353 -0.036 8.822 1.00 0.00 H new ATOM 338 N LEU A 26 2.837 0.606 6.119 1.00 0.00 N ATOM 339 CA LEU A 26 2.779 0.001 4.788 1.00 0.00 C ATOM 340 C LEU A 26 2.950 1.041 3.678 1.00 0.00 C ATOM 341 O LEU A 26 3.784 0.890 2.789 1.00 0.00 O ATOM 342 CB LEU A 26 1.447 -0.735 4.614 1.00 0.00 C ATOM 343 CG LEU A 26 1.159 -1.815 5.679 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.886 -3.170 5.033 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.314 -1.926 6.667 1.00 0.00 C ATOM 0 H LEU A 26 2.010 0.435 6.691 1.00 0.00 H new ATOM 0 HA LEU A 26 3.606 -0.704 4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.639 -0.004 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.433 -1.203 3.630 1.00 0.00 H new ATOM 0 HG LEU A 26 0.265 -1.510 6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.687 -3.909 5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.020 -3.092 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.756 -3.478 4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.087 -2.693 7.407 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.225 -2.195 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.457 -0.969 7.169 1.00 0.00 H new ATOM 357 N ALA A 27 2.140 2.100 3.740 1.00 0.00 N ATOM 358 CA ALA A 27 2.189 3.159 2.753 1.00 0.00 C ATOM 359 C ALA A 27 3.537 3.863 2.815 1.00 0.00 C ATOM 360 O ALA A 27 4.238 3.955 1.812 1.00 0.00 O ATOM 361 CB ALA A 27 1.052 4.145 3.007 1.00 0.00 C ATOM 0 H ALA A 27 1.442 2.239 4.471 1.00 0.00 H new ATOM 0 HA ALA A 27 2.069 2.735 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.089 4.942 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.097 3.625 2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.157 4.573 4.004 1.00 0.00 H new ATOM 367 N ARG A 28 3.897 4.358 4.002 1.00 0.00 N ATOM 368 CA ARG A 28 5.156 5.050 4.190 1.00 0.00 C ATOM 369 C ARG A 28 6.311 4.134 3.811 1.00 0.00 C ATOM 370 O ARG A 28 7.384 4.604 3.439 1.00 0.00 O ATOM 371 CB ARG A 28 5.277 5.498 5.645 1.00 0.00 C ATOM 372 CG ARG A 28 4.684 6.896 5.797 1.00 0.00 C ATOM 373 CD ARG A 28 5.645 7.771 6.597 1.00 0.00 C ATOM 374 NE ARG A 28 5.144 9.142 6.699 1.00 0.00 N ATOM 375 CZ ARG A 28 5.063 9.799 7.865 1.00 0.00 C ATOM 376 NH1 ARG A 28 5.452 9.202 8.999 1.00 0.00 N ATOM 377 NH2 ARG A 28 4.594 11.055 7.895 1.00 0.00 N ATOM 0 H ARG A 28 3.326 4.287 4.844 1.00 0.00 H new ATOM 0 HA ARG A 28 5.191 5.930 3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.756 4.797 6.297 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.323 5.500 5.950 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.506 7.336 4.816 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.719 6.841 6.302 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.778 7.353 7.595 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.625 7.773 6.119 1.00 0.00 H new ATOM 0 HE ARG A 28 4.844 9.618 5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.810 8.247 8.976 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.390 9.702 9.886 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.299 11.510 7.031 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.532 11.555 8.782 1.00 0.00 H new ATOM 391 N PHE A 29 6.088 2.821 3.905 1.00 0.00 N ATOM 392 CA PHE A 29 7.109 1.849 3.571 1.00 0.00 C ATOM 393 C PHE A 29 7.322 1.820 2.065 1.00 0.00 C ATOM 394 O PHE A 29 8.458 1.839 1.595 1.00 0.00 O ATOM 395 CB PHE A 29 6.688 0.474 4.085 1.00 0.00 C ATOM 396 CG PHE A 29 7.431 -0.666 3.432 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.813 -0.575 3.226 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.739 -1.817 3.036 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.502 -1.634 2.623 1.00 0.00 C ATOM 400 CE2 PHE A 29 7.428 -2.876 2.433 1.00 0.00 C ATOM 401 CZ PHE A 29 8.809 -2.785 2.227 1.00 0.00 C ATOM 0 H PHE A 29 5.204 2.415 4.211 1.00 0.00 H new ATOM 0 HA PHE A 29 8.050 2.127 4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.849 0.433 5.162 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.619 0.344 3.917 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.347 0.312 3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.673 -1.888 3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.568 -1.563 2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.894 -3.763 2.127 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.341 -3.602 1.763 1.00 0.00 H new ATOM 411 N ALA A 30 6.225 1.775 1.306 1.00 0.00 N ATOM 412 CA ALA A 30 6.296 1.743 -0.141 1.00 0.00 C ATOM 413 C ALA A 30 7.187 2.873 -0.638 1.00 0.00 C ATOM 414 O ALA A 30 8.267 2.626 -1.170 1.00 0.00 O ATOM 415 CB ALA A 30 4.890 1.867 -0.721 1.00 0.00 C ATOM 0 H ALA A 30 5.276 1.760 1.680 1.00 0.00 H new ATOM 0 HA ALA A 30 6.727 0.797 -0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.942 1.843 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.277 1.038 -0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.446 2.809 -0.400 1.00 0.00 H new ATOM 421 N VAL A 31 6.731 4.116 -0.463 1.00 0.00 N ATOM 422 CA VAL A 31 7.486 5.274 -0.894 1.00 0.00 C ATOM 423 C VAL A 31 8.953 5.098 -0.528 1.00 0.00 C ATOM 424 O VAL A 31 9.836 5.427 -1.317 1.00 0.00 O ATOM 425 CB VAL A 31 6.912 6.527 -0.238 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.605 7.762 -0.805 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.414 6.609 -0.523 1.00 0.00 C ATOM 0 H VAL A 31 5.838 4.337 -0.023 1.00 0.00 H new ATOM 0 HA VAL A 31 7.412 5.380 -1.976 1.00 0.00 H new ATOM 0 HB VAL A 31 7.076 6.481 0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.195 8.657 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.675 7.704 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.441 7.809 -1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.003 7.503 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.250 6.655 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.918 5.727 -0.118 1.00 0.00 H new ATOM 437 N THR A 32 9.212 4.577 0.674 1.00 0.00 N ATOM 438 CA THR A 32 10.569 4.360 1.132 1.00 0.00 C ATOM 439 C THR A 32 11.260 3.336 0.244 1.00 0.00 C ATOM 440 O THR A 32 12.151 3.679 -0.531 1.00 0.00 O ATOM 441 CB THR A 32 10.545 3.888 2.583 1.00 0.00 C ATOM 442 OG1 THR A 32 10.287 4.986 3.430 1.00 0.00 O ATOM 443 CG2 THR A 32 11.895 3.276 2.942 1.00 0.00 C ATOM 0 H THR A 32 8.492 4.300 1.342 1.00 0.00 H new ATOM 0 HA THR A 32 11.128 5.294 1.075 1.00 0.00 H new ATOM 0 HB THR A 32 9.762 3.140 2.708 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.321 5.072 3.570 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.878 2.939 3.978 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.095 2.427 2.288 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.678 4.024 2.817 1.00 0.00 H new ATOM 451 N GLU A 33 10.846 2.073 0.358 1.00 0.00 N ATOM 452 CA GLU A 33 11.425 1.006 -0.435 1.00 0.00 C ATOM 453 C GLU A 33 11.652 1.484 -1.862 1.00 0.00 C ATOM 454 O GLU A 33 12.738 1.297 -2.410 1.00 0.00 O ATOM 455 CB GLU A 33 10.497 -0.205 -0.410 1.00 0.00 C ATOM 456 CG GLU A 33 11.151 -1.362 -1.162 1.00 0.00 C ATOM 457 CD GLU A 33 10.921 -2.680 -0.435 1.00 0.00 C ATOM 458 OE1 GLU A 33 11.595 -2.884 0.596 1.00 0.00 O ATOM 459 OE2 GLU A 33 10.074 -3.457 -0.926 1.00 0.00 O ATOM 0 H GLU A 33 10.109 1.771 0.996 1.00 0.00 H new ATOM 0 HA GLU A 33 12.389 0.718 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.290 -0.497 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.541 0.047 -0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.743 -1.422 -2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.221 -1.178 -1.261 1.00 0.00 H new ATOM 466 N HIS A 34 10.623 2.098 -2.456 1.00 0.00 N ATOM 467 CA HIS A 34 10.700 2.623 -3.822 1.00 0.00 C ATOM 468 C HIS A 34 11.827 3.666 -3.934 1.00 0.00 C ATOM 469 O HIS A 34 12.660 3.565 -4.832 1.00 0.00 O ATOM 470 CB HIS A 34 9.351 3.219 -4.240 1.00 0.00 C ATOM 471 CG HIS A 34 9.257 3.490 -5.711 1.00 0.00 C ATOM 472 ND1 HIS A 34 10.128 4.082 -6.563 1.00 0.00 N flip ATOM 473 CD2 HIS A 34 8.166 3.126 -6.473 1.00 0.00 C flip ATOM 474 CE1 HIS A 34 9.551 4.064 -7.810 1.00 0.00 C flip ATOM 475 NE2 HIS A 34 8.369 3.481 -7.730 1.00 0.00 N flip ATOM 0 H HIS A 34 9.719 2.244 -2.006 1.00 0.00 H new ATOM 0 HA HIS A 34 10.932 1.803 -4.502 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.553 2.535 -3.951 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.187 4.148 -3.694 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.283 2.628 -6.100 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.993 4.463 -8.711 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.723 3.330 -8.505 1.00 0.00 H new ATOM 484 N ASN A 35 11.838 4.661 -3.043 1.00 0.00 N ATOM 485 CA ASN A 35 12.848 5.700 -3.073 1.00 0.00 C ATOM 486 C ASN A 35 14.230 5.087 -2.893 1.00 0.00 C ATOM 487 O ASN A 35 15.231 5.675 -3.295 1.00 0.00 O ATOM 488 CB ASN A 35 12.561 6.718 -1.973 1.00 0.00 C ATOM 489 CG ASN A 35 11.487 7.703 -2.411 1.00 0.00 C ATOM 490 OD1 ASN A 35 10.567 7.338 -3.138 1.00 0.00 O ATOM 491 ND2 ASN A 35 11.606 8.956 -1.964 1.00 0.00 N ATOM 0 H ASN A 35 11.153 4.761 -2.294 1.00 0.00 H new ATOM 0 HA ASN A 35 12.822 6.207 -4.037 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.239 6.201 -1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.475 7.257 -1.724 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.914 9.658 -2.225 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.389 9.210 -1.362 1.00 0.00 H new ATOM 498 N LYS A 36 14.280 3.898 -2.287 1.00 0.00 N ATOM 499 CA LYS A 36 15.536 3.212 -2.058 1.00 0.00 C ATOM 500 C LYS A 36 16.150 2.799 -3.388 1.00 0.00 C ATOM 501 O LYS A 36 17.303 3.122 -3.671 1.00 0.00 O ATOM 502 CB LYS A 36 15.294 1.993 -1.173 1.00 0.00 C ATOM 503 CG LYS A 36 16.622 1.512 -0.597 1.00 0.00 C ATOM 504 CD LYS A 36 17.337 0.637 -1.623 1.00 0.00 C ATOM 505 CE LYS A 36 18.551 -0.021 -0.974 1.00 0.00 C ATOM 506 NZ LYS A 36 18.603 -1.457 -1.286 1.00 0.00 N ATOM 0 H LYS A 36 13.459 3.397 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 36 16.232 3.881 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.606 2.246 -0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.827 1.197 -1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.246 2.366 -0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.450 0.948 0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.657 -0.125 -2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.649 1.240 -2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.462 0.464 -1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.510 0.119 0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.438 -1.881 -0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.743 -1.921 -0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.665 -1.586 -2.316 1.00 0.00 H new ATOM 520 N LYS A 37 15.377 2.082 -4.206 1.00 0.00 N ATOM 521 CA LYS A 37 15.848 1.631 -5.500 1.00 0.00 C ATOM 522 C LYS A 37 15.582 2.699 -6.551 1.00 0.00 C ATOM 523 O LYS A 37 15.922 2.524 -7.719 1.00 0.00 O ATOM 524 CB LYS A 37 15.149 0.325 -5.868 1.00 0.00 C ATOM 525 CG LYS A 37 16.184 -0.789 -5.998 1.00 0.00 C ATOM 526 CD LYS A 37 15.708 -2.019 -5.231 1.00 0.00 C ATOM 527 CE LYS A 37 14.802 -2.859 -6.127 1.00 0.00 C ATOM 528 NZ LYS A 37 14.065 -3.860 -5.342 1.00 0.00 N ATOM 0 H LYS A 37 14.420 1.805 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 37 16.923 1.454 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.415 0.066 -5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.606 0.443 -6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.335 -1.038 -7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.145 -0.454 -5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.563 -2.610 -4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.169 -1.715 -4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.098 -2.210 -6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.400 -3.358 -6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.456 -4.418 -5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.739 -4.492 -4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.477 -3.380 -4.631 1.00 0.00 H new ATOM 542 N ALA A 38 14.972 3.810 -6.132 1.00 0.00 N ATOM 543 CA ALA A 38 14.662 4.899 -7.035 1.00 0.00 C ATOM 544 C ALA A 38 15.395 6.158 -6.595 1.00 0.00 C ATOM 545 O ALA A 38 15.054 7.259 -7.020 1.00 0.00 O ATOM 546 CB ALA A 38 13.154 5.130 -7.054 1.00 0.00 C ATOM 0 H ALA A 38 14.685 3.971 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 38 14.990 4.645 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.920 5.950 -7.733 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.651 4.224 -7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.812 5.382 -6.050 1.00 0.00 H new ATOM 552 N ASN A 39 16.406 5.993 -5.739 1.00 0.00 N ATOM 553 CA ASN A 39 17.181 7.115 -5.247 1.00 0.00 C ATOM 554 C ASN A 39 16.254 8.268 -4.890 1.00 0.00 C ATOM 555 O ASN A 39 16.674 9.423 -4.865 1.00 0.00 O ATOM 556 CB ASN A 39 18.188 7.541 -6.311 1.00 0.00 C ATOM 557 CG ASN A 39 19.511 6.810 -6.131 1.00 0.00 C ATOM 558 OD1 ASN A 39 20.257 7.095 -5.197 1.00 0.00 O ATOM 559 ND2 ASN A 39 19.799 5.864 -7.027 1.00 0.00 N ATOM 0 H ASN A 39 16.701 5.087 -5.376 1.00 0.00 H new ATOM 0 HA ASN A 39 17.723 6.821 -4.348 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.785 7.333 -7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.352 8.617 -6.252 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.672 5.341 -6.954 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.147 5.664 -7.785 1.00 0.00 H new ATOM 566 N SER A 40 14.987 7.951 -4.612 1.00 0.00 N ATOM 567 CA SER A 40 14.008 8.958 -4.255 1.00 0.00 C ATOM 568 C SER A 40 13.606 9.748 -5.494 1.00 0.00 C ATOM 569 O SER A 40 14.385 9.860 -6.441 1.00 0.00 O ATOM 570 CB SER A 40 14.594 9.883 -3.192 1.00 0.00 C ATOM 571 OG SER A 40 15.376 9.127 -2.293 1.00 0.00 O ATOM 0 H SER A 40 14.623 6.998 -4.630 1.00 0.00 H new ATOM 0 HA SER A 40 13.118 8.477 -3.849 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.204 10.655 -3.662 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.793 10.392 -2.656 1.00 0.00 H new ATOM 0 HG SER A 40 15.755 9.720 -1.611 1.00 0.00 H new ATOM 577 N LEU A 41 12.391 10.295 -5.483 1.00 0.00 N ATOM 578 CA LEU A 41 11.873 11.069 -6.611 1.00 0.00 C ATOM 579 C LEU A 41 10.714 11.979 -6.196 1.00 0.00 C ATOM 580 O LEU A 41 10.275 12.837 -6.964 1.00 0.00 O ATOM 581 CB LEU A 41 11.418 10.119 -7.721 1.00 0.00 C ATOM 582 CG LEU A 41 9.974 9.595 -7.575 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.443 9.057 -8.901 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.892 8.518 -6.500 1.00 0.00 C ATOM 0 H LEU A 41 11.743 10.216 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 41 12.678 11.707 -6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.508 10.632 -8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.097 9.267 -7.751 1.00 0.00 H new ATOM 0 HG LEU A 41 9.350 10.436 -7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.424 8.695 -8.765 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.449 9.853 -9.645 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.076 8.238 -9.241 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.864 8.165 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.541 7.685 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.212 8.933 -5.544 1.00 0.00 H new ATOM 596 N LEU A 42 10.222 11.778 -4.974 1.00 0.00 N ATOM 597 CA LEU A 42 9.104 12.557 -4.443 1.00 0.00 C ATOM 598 C LEU A 42 9.217 12.766 -2.931 1.00 0.00 C ATOM 599 O LEU A 42 10.204 12.380 -2.309 1.00 0.00 O ATOM 600 CB LEU A 42 7.785 11.855 -4.776 1.00 0.00 C ATOM 601 CG LEU A 42 7.430 10.670 -3.853 1.00 0.00 C ATOM 602 CD1 LEU A 42 8.644 9.776 -3.609 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.866 11.162 -2.525 1.00 0.00 C ATOM 0 H LEU A 42 10.584 11.076 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 42 9.131 13.541 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.979 12.587 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.831 11.495 -5.804 1.00 0.00 H new ATOM 0 HG LEU A 42 6.665 10.080 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.362 8.950 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.002 9.381 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.436 10.358 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.624 10.307 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.606 11.785 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.964 11.746 -2.707 1.00 0.00 H new ATOM 615 N GLU A 43 8.190 13.389 -2.348 1.00 0.00 N ATOM 616 CA GLU A 43 8.170 13.655 -0.923 1.00 0.00 C ATOM 617 C GLU A 43 6.800 13.319 -0.352 1.00 0.00 C ATOM 618 O GLU A 43 5.872 14.120 -0.443 1.00 0.00 O ATOM 619 CB GLU A 43 8.515 15.120 -0.675 1.00 0.00 C ATOM 620 CG GLU A 43 8.904 15.312 0.787 1.00 0.00 C ATOM 621 CD GLU A 43 10.239 16.033 0.904 1.00 0.00 C ATOM 622 OE1 GLU A 43 10.328 17.155 0.361 1.00 0.00 O ATOM 623 OE2 GLU A 43 11.147 15.448 1.534 1.00 0.00 O ATOM 0 H GLU A 43 7.364 13.716 -2.849 1.00 0.00 H new ATOM 0 HA GLU A 43 8.911 13.031 -0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.336 15.426 -1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.662 15.752 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.131 15.884 1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.965 14.343 1.281 1.00 0.00 H new ATOM 630 N PHE A 44 6.675 12.129 0.240 1.00 0.00 N ATOM 631 CA PHE A 44 5.422 11.694 0.824 1.00 0.00 C ATOM 632 C PHE A 44 4.926 12.736 1.816 1.00 0.00 C ATOM 633 O PHE A 44 5.673 13.170 2.691 1.00 0.00 O ATOM 634 CB PHE A 44 5.622 10.345 1.507 1.00 0.00 C ATOM 635 CG PHE A 44 4.480 9.954 2.415 1.00 0.00 C ATOM 636 CD1 PHE A 44 4.269 10.647 3.613 1.00 0.00 C ATOM 637 CD2 PHE A 44 3.631 8.901 2.057 1.00 0.00 C ATOM 638 CE1 PHE A 44 3.208 10.286 4.453 1.00 0.00 C ATOM 639 CE2 PHE A 44 2.570 8.540 2.897 1.00 0.00 C ATOM 640 CZ PHE A 44 2.360 9.232 4.095 1.00 0.00 C ATOM 0 H PHE A 44 7.434 11.453 0.323 1.00 0.00 H new ATOM 0 HA PHE A 44 4.671 11.581 0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.749 9.576 0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.544 10.374 2.088 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.924 11.460 3.889 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.794 8.366 1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.044 10.821 5.377 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.914 7.728 2.620 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.543 8.952 4.744 1.00 0.00 H new ATOM 650 N GLU A 45 3.659 13.136 1.680 1.00 0.00 N ATOM 651 CA GLU A 45 3.072 14.121 2.566 1.00 0.00 C ATOM 652 C GLU A 45 2.169 13.435 3.581 1.00 0.00 C ATOM 653 O GLU A 45 2.270 13.689 4.779 1.00 0.00 O ATOM 654 CB GLU A 45 2.287 15.138 1.743 1.00 0.00 C ATOM 655 CG GLU A 45 1.381 14.405 0.758 1.00 0.00 C ATOM 656 CD GLU A 45 0.396 15.366 0.107 1.00 0.00 C ATOM 657 OE1 GLU A 45 0.801 16.009 -0.885 1.00 0.00 O ATOM 658 OE2 GLU A 45 -0.745 15.439 0.614 1.00 0.00 O ATOM 0 H GLU A 45 3.026 12.787 0.960 1.00 0.00 H new ATOM 0 HA GLU A 45 3.861 14.642 3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.691 15.771 2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.972 15.793 1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.986 13.923 -0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.837 13.616 1.277 1.00 0.00 H new ATOM 665 N LYS A 46 1.283 12.563 3.096 1.00 0.00 N ATOM 666 CA LYS A 46 0.368 11.844 3.961 1.00 0.00 C ATOM 667 C LYS A 46 -0.465 10.870 3.139 1.00 0.00 C ATOM 668 O LYS A 46 -0.184 10.652 1.960 1.00 0.00 O ATOM 669 CB LYS A 46 -0.530 12.840 4.690 1.00 0.00 C ATOM 670 CG LYS A 46 -1.375 13.601 3.673 1.00 0.00 C ATOM 671 CD LYS A 46 -2.339 14.530 4.406 1.00 0.00 C ATOM 672 CE LYS A 46 -3.677 14.557 3.671 1.00 0.00 C ATOM 673 NZ LYS A 46 -4.800 14.476 4.619 1.00 0.00 N ATOM 0 H LYS A 46 1.186 12.343 2.105 1.00 0.00 H new ATOM 0 HA LYS A 46 0.933 11.274 4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.175 12.316 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.076 13.537 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.732 14.178 3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.931 12.901 3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.482 14.188 5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.921 15.535 4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.756 15.473 3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.728 13.724 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.698 14.496 4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.734 13.590 5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.762 15.284 5.272 1.00 0.00 H new ATOM 687 N LEU A 47 -1.487 10.286 3.764 1.00 0.00 N ATOM 688 CA LEU A 47 -2.361 9.320 3.098 1.00 0.00 C ATOM 689 C LEU A 47 -3.837 9.708 3.215 1.00 0.00 C ATOM 690 O LEU A 47 -4.191 10.658 3.910 1.00 0.00 O ATOM 691 CB LEU A 47 -2.138 7.928 3.693 1.00 0.00 C ATOM 692 CG LEU A 47 -2.290 7.849 5.228 1.00 0.00 C ATOM 693 CD1 LEU A 47 -3.591 7.155 5.620 1.00 0.00 C ATOM 694 CD2 LEU A 47 -1.101 7.130 5.856 1.00 0.00 C ATOM 0 H LEU A 47 -1.731 10.467 4.738 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.106 9.315 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.844 7.235 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.138 7.588 3.423 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.320 8.870 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.669 7.115 6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.436 7.712 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.598 6.142 5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.231 7.087 6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.036 6.117 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.184 7.671 5.622 1.00 0.00 H new ATOM 706 N VAL A 48 -4.696 8.960 2.518 1.00 0.00 N ATOM 707 CA VAL A 48 -6.122 9.218 2.533 1.00 0.00 C ATOM 708 C VAL A 48 -6.840 8.095 3.267 1.00 0.00 C ATOM 709 O VAL A 48 -7.540 8.339 4.248 1.00 0.00 O ATOM 710 CB VAL A 48 -6.631 9.338 1.099 1.00 0.00 C ATOM 711 CG1 VAL A 48 -8.015 9.979 1.104 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.671 10.207 0.291 1.00 0.00 C ATOM 0 H VAL A 48 -4.418 8.169 1.936 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.322 10.154 3.055 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.691 8.347 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.380 10.065 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.701 9.360 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.955 10.971 1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.033 10.294 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.612 11.198 0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.681 9.750 0.289 1.00 0.00 H new ATOM 722 N SER A 49 -6.665 6.859 2.792 1.00 0.00 N ATOM 723 CA SER A 49 -7.295 5.708 3.406 1.00 0.00 C ATOM 724 C SER A 49 -6.563 4.438 2.994 1.00 0.00 C ATOM 725 O SER A 49 -5.499 4.502 2.383 1.00 0.00 O ATOM 726 CB SER A 49 -8.761 5.648 2.986 1.00 0.00 C ATOM 727 OG SER A 49 -9.543 6.370 3.912 1.00 0.00 O ATOM 0 H SER A 49 -6.088 6.639 1.980 1.00 0.00 H new ATOM 0 HA SER A 49 -7.245 5.796 4.491 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.882 6.066 1.987 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.096 4.612 2.940 1.00 0.00 H new ATOM 0 HG SER A 49 -9.041 7.152 4.224 1.00 0.00 H new ATOM 733 N VAL A 50 -7.139 3.281 3.329 1.00 0.00 N ATOM 734 CA VAL A 50 -6.543 2.005 2.995 1.00 0.00 C ATOM 735 C VAL A 50 -7.605 0.916 3.029 1.00 0.00 C ATOM 736 O VAL A 50 -8.621 1.057 3.706 1.00 0.00 O ATOM 737 CB VAL A 50 -5.419 1.694 3.978 1.00 0.00 C ATOM 738 CG1 VAL A 50 -5.951 1.788 5.405 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.893 0.285 3.722 1.00 0.00 C ATOM 0 H VAL A 50 -8.022 3.212 3.834 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.125 2.048 1.989 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.610 2.412 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.148 1.566 6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.325 2.795 5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.760 1.070 5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.090 0.063 4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.701 -0.435 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.512 0.218 2.703 1.00 0.00 H new ATOM 749 N LYS A 51 -7.368 -0.175 2.297 1.00 0.00 N ATOM 750 CA LYS A 51 -8.305 -1.281 2.249 1.00 0.00 C ATOM 751 C LYS A 51 -7.610 -2.567 2.672 1.00 0.00 C ATOM 752 O LYS A 51 -6.395 -2.590 2.854 1.00 0.00 O ATOM 753 CB LYS A 51 -8.866 -1.410 0.836 1.00 0.00 C ATOM 754 CG LYS A 51 -9.756 -0.209 0.531 1.00 0.00 C ATOM 755 CD LYS A 51 -10.611 -0.507 -0.699 1.00 0.00 C ATOM 756 CE LYS A 51 -11.524 0.681 -0.984 1.00 0.00 C ATOM 757 NZ LYS A 51 -10.773 1.792 -1.588 1.00 0.00 N ATOM 0 H LYS A 51 -6.530 -0.309 1.731 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.129 -1.094 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.052 -1.466 0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.438 -2.333 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.395 0.010 1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.144 0.676 0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.972 -0.703 -1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.206 -1.405 -0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.327 0.374 -1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.992 1.015 -0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.431 2.554 -1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.078 2.154 -0.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.278 1.455 -2.438 1.00 0.00 H new ATOM 771 N GLN A 52 -8.387 -3.642 2.829 1.00 0.00 N ATOM 772 CA GLN A 52 -7.845 -4.924 3.230 1.00 0.00 C ATOM 773 C GLN A 52 -8.549 -6.042 2.475 1.00 0.00 C ATOM 774 O GLN A 52 -9.775 -6.132 2.493 1.00 0.00 O ATOM 775 CB GLN A 52 -8.017 -5.098 4.737 1.00 0.00 C ATOM 776 CG GLN A 52 -9.432 -4.693 5.139 1.00 0.00 C ATOM 777 CD GLN A 52 -9.758 -5.178 6.543 1.00 0.00 C ATOM 778 OE1 GLN A 52 -9.059 -6.225 6.991 1.00 0.00 O flip ATOM 779 NE2 GLN A 52 -10.623 -4.617 7.211 1.00 0.00 N flip ATOM 0 H GLN A 52 -9.396 -3.640 2.682 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.782 -4.965 2.990 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.831 -6.135 5.017 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.288 -4.488 5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.531 -3.608 5.093 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.149 -5.109 4.431 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.130 -3.821 6.824 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.835 -4.947 8.153 1.00 0.00 H new ATOM 788 N GLN A 53 -7.770 -6.897 1.809 1.00 0.00 N ATOM 789 CA GLN A 53 -8.321 -8.003 1.051 1.00 0.00 C ATOM 790 C GLN A 53 -7.752 -9.317 1.567 1.00 0.00 C ATOM 791 O GLN A 53 -6.646 -9.350 2.104 1.00 0.00 O ATOM 792 CB GLN A 53 -7.996 -7.816 -0.428 1.00 0.00 C ATOM 793 CG GLN A 53 -8.461 -9.041 -1.211 1.00 0.00 C ATOM 794 CD GLN A 53 -9.970 -9.017 -1.409 1.00 0.00 C ATOM 795 OE1 GLN A 53 -10.705 -8.548 -0.543 1.00 0.00 O ATOM 796 NE2 GLN A 53 -10.431 -9.526 -2.554 1.00 0.00 N ATOM 0 H GLN A 53 -6.752 -6.837 1.784 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.404 -8.028 1.171 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.487 -6.920 -0.809 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.924 -7.672 -0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.963 -9.069 -2.180 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.174 -9.948 -0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.780 -9.904 -3.243 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.434 -9.537 -2.740 1.00 0.00 H new ATOM 805 N VAL A 54 -8.510 -10.403 1.401 1.00 0.00 N ATOM 806 CA VAL A 54 -8.079 -11.712 1.848 1.00 0.00 C ATOM 807 C VAL A 54 -7.890 -12.629 0.648 1.00 0.00 C ATOM 808 O VAL A 54 -8.800 -12.790 -0.162 1.00 0.00 O ATOM 809 CB VAL A 54 -9.116 -12.287 2.810 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.498 -12.223 2.167 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.768 -13.739 3.124 1.00 0.00 C ATOM 0 H VAL A 54 -9.428 -10.392 0.957 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.126 -11.628 2.370 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.117 -11.706 3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.238 -12.634 2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.747 -11.186 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.497 -12.804 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.508 -14.150 3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.766 -14.320 2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.781 -13.785 3.584 1.00 0.00 H new ATOM 821 N VAL A 55 -6.704 -13.232 0.537 1.00 0.00 N ATOM 822 CA VAL A 55 -6.402 -14.128 -0.560 1.00 0.00 C ATOM 823 C VAL A 55 -5.305 -15.099 -0.145 1.00 0.00 C ATOM 824 O VAL A 55 -5.477 -15.865 0.800 1.00 0.00 O ATOM 825 CB VAL A 55 -5.972 -13.314 -1.778 1.00 0.00 C ATOM 826 CG1 VAL A 55 -7.052 -12.289 -2.111 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.663 -12.594 -1.470 1.00 0.00 C ATOM 0 H VAL A 55 -5.940 -13.109 1.201 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.290 -14.704 -0.820 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.829 -13.979 -2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.746 -11.707 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.987 -12.804 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.195 -11.622 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.355 -12.012 -2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.806 -11.928 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.892 -13.327 -1.232 1.00 0.00 H new ATOM 837 N ALA A 56 -4.175 -15.064 -0.855 1.00 0.00 N ATOM 838 CA ALA A 56 -3.059 -15.939 -0.559 1.00 0.00 C ATOM 839 C ALA A 56 -2.274 -15.389 0.624 1.00 0.00 C ATOM 840 O ALA A 56 -1.141 -15.800 0.866 1.00 0.00 O ATOM 841 CB ALA A 56 -2.166 -16.059 -1.791 1.00 0.00 C ATOM 0 H ALA A 56 -4.017 -14.433 -1.641 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.428 -16.930 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.326 -16.717 -1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.742 -16.472 -2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.791 -15.073 -2.066 1.00 0.00 H new ATOM 847 N GLY A 57 -2.880 -14.457 1.363 1.00 0.00 N ATOM 848 CA GLY A 57 -2.234 -13.860 2.514 1.00 0.00 C ATOM 849 C GLY A 57 -3.058 -12.690 3.034 1.00 0.00 C ATOM 850 O GLY A 57 -4.267 -12.809 3.218 1.00 0.00 O ATOM 0 H GLY A 57 -3.819 -14.105 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.113 -14.606 3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.235 -13.518 2.243 1.00 0.00 H new ATOM 854 N THR A 58 -2.397 -11.553 3.270 1.00 0.00 N ATOM 855 CA THR A 58 -3.071 -10.370 3.765 1.00 0.00 C ATOM 856 C THR A 58 -2.726 -9.173 2.892 1.00 0.00 C ATOM 857 O THR A 58 -1.625 -8.629 2.986 1.00 0.00 O ATOM 858 CB THR A 58 -2.659 -10.120 5.213 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.925 -11.272 5.983 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.451 -8.942 5.772 1.00 0.00 C ATOM 0 H THR A 58 -1.394 -11.436 3.123 1.00 0.00 H new ATOM 0 HA THR A 58 -4.150 -10.520 3.728 1.00 0.00 H new ATOM 0 HB THR A 58 -1.594 -9.893 5.253 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.659 -11.113 6.913 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.157 -8.764 6.806 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.247 -8.051 5.178 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.517 -9.168 5.732 1.00 0.00 H new ATOM 868 N LEU A 59 -3.669 -8.764 2.043 1.00 0.00 N ATOM 869 CA LEU A 59 -3.467 -7.633 1.137 1.00 0.00 C ATOM 870 C LEU A 59 -4.115 -6.352 1.668 1.00 0.00 C ATOM 871 O LEU A 59 -5.152 -6.389 2.327 1.00 0.00 O ATOM 872 CB LEU A 59 -4.036 -7.973 -0.243 1.00 0.00 C ATOM 873 CG LEU A 59 -3.317 -7.292 -1.426 1.00 0.00 C ATOM 874 CD1 LEU A 59 -3.479 -5.775 -1.375 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.839 -7.662 -1.450 1.00 0.00 C ATOM 0 H LEU A 59 -4.586 -9.203 1.964 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.395 -7.451 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.992 -9.053 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.089 -7.692 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.782 -7.654 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.961 -5.325 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.538 -5.520 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.054 -5.395 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.354 -7.170 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.368 -7.339 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.736 -8.742 -1.553 1.00 0.00 H new ATOM 887 N TYR A 60 -3.483 -5.212 1.376 1.00 0.00 N ATOM 888 CA TYR A 60 -3.983 -3.927 1.820 1.00 0.00 C ATOM 889 C TYR A 60 -3.759 -2.882 0.737 1.00 0.00 C ATOM 890 O TYR A 60 -2.642 -2.719 0.249 1.00 0.00 O ATOM 891 CB TYR A 60 -3.275 -3.527 3.112 1.00 0.00 C ATOM 892 CG TYR A 60 -3.565 -4.453 4.269 1.00 0.00 C ATOM 893 CD1 TYR A 60 -4.826 -4.442 4.876 1.00 0.00 C ATOM 894 CD2 TYR A 60 -2.572 -5.323 4.736 1.00 0.00 C ATOM 895 CE1 TYR A 60 -5.095 -5.299 5.949 1.00 0.00 C ATOM 896 CE2 TYR A 60 -2.840 -6.180 5.809 1.00 0.00 C ATOM 897 CZ TYR A 60 -4.101 -6.168 6.416 1.00 0.00 C ATOM 898 OH TYR A 60 -4.363 -7.004 7.463 1.00 0.00 O ATOM 0 H TYR A 60 -2.622 -5.163 0.832 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.054 -3.996 2.013 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.200 -3.504 2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.575 -2.515 3.383 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.592 -3.771 4.516 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.599 -5.332 4.268 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.068 -5.290 6.417 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.074 -6.851 6.169 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.315 -7.237 7.465 1.00 0.00 H new ATOM 908 N TYR A 61 -4.825 -2.173 0.360 1.00 0.00 N ATOM 909 CA TYR A 61 -4.739 -1.151 -0.663 1.00 0.00 C ATOM 910 C TYR A 61 -4.677 0.225 -0.015 1.00 0.00 C ATOM 911 O TYR A 61 -5.698 0.764 0.403 1.00 0.00 O ATOM 912 CB TYR A 61 -5.947 -1.258 -1.590 1.00 0.00 C ATOM 913 CG TYR A 61 -6.336 -2.681 -1.910 1.00 0.00 C ATOM 914 CD1 TYR A 61 -6.681 -3.562 -0.878 1.00 0.00 C ATOM 915 CD2 TYR A 61 -6.353 -3.120 -3.239 1.00 0.00 C ATOM 916 CE1 TYR A 61 -7.042 -4.881 -1.176 1.00 0.00 C ATOM 917 CE2 TYR A 61 -6.714 -4.439 -3.537 1.00 0.00 C ATOM 918 CZ TYR A 61 -7.058 -5.320 -2.505 1.00 0.00 C ATOM 919 OH TYR A 61 -7.410 -6.606 -2.795 1.00 0.00 O ATOM 0 H TYR A 61 -5.758 -2.295 0.755 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.832 -1.295 -1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.795 -0.753 -1.128 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.730 -0.731 -2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.669 -3.224 0.148 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.087 -2.440 -4.035 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.308 -5.561 -0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.727 -4.777 -4.563 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.378 -6.656 -2.938 1.00 0.00 H new ATOM 929 N PHE A 62 -3.471 0.792 0.068 1.00 0.00 N ATOM 930 CA PHE A 62 -3.282 2.099 0.664 1.00 0.00 C ATOM 931 C PHE A 62 -3.419 3.178 -0.402 1.00 0.00 C ATOM 932 O PHE A 62 -2.765 3.114 -1.441 1.00 0.00 O ATOM 933 CB PHE A 62 -1.908 2.163 1.324 1.00 0.00 C ATOM 934 CG PHE A 62 -1.775 1.258 2.526 1.00 0.00 C ATOM 935 CD1 PHE A 62 -1.411 -0.083 2.356 1.00 0.00 C ATOM 936 CD2 PHE A 62 -2.012 1.761 3.811 1.00 0.00 C ATOM 937 CE1 PHE A 62 -1.285 -0.921 3.470 1.00 0.00 C ATOM 938 CE2 PHE A 62 -1.886 0.923 4.925 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.523 -0.418 4.754 1.00 0.00 C ATOM 0 H PHE A 62 -2.614 0.358 -0.274 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.044 2.269 1.424 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.148 1.894 0.590 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.707 3.190 1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.227 -0.471 1.365 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.292 2.796 3.943 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.004 -1.956 3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.069 1.311 5.916 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.427 -1.065 5.613 1.00 0.00 H new ATOM 949 N THR A 63 -4.272 4.171 -0.142 1.00 0.00 N ATOM 950 CA THR A 63 -4.488 5.255 -1.079 1.00 0.00 C ATOM 951 C THR A 63 -3.993 6.563 -0.480 1.00 0.00 C ATOM 952 O THR A 63 -4.789 7.381 -0.022 1.00 0.00 O ATOM 953 CB THR A 63 -5.972 5.344 -1.420 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.393 4.131 -2.004 1.00 0.00 O ATOM 955 CG2 THR A 63 -6.201 6.487 -2.404 1.00 0.00 C ATOM 0 H THR A 63 -4.822 4.239 0.714 1.00 0.00 H new ATOM 0 HA THR A 63 -3.929 5.064 -1.995 1.00 0.00 H new ATOM 0 HB THR A 63 -6.543 5.528 -0.510 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.347 4.187 -2.222 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.262 6.550 -2.648 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.875 7.425 -1.954 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.630 6.303 -3.314 1.00 0.00 H new ATOM 963 N ILE A 64 -2.672 6.760 -0.487 1.00 0.00 N ATOM 964 CA ILE A 64 -2.075 7.966 0.051 1.00 0.00 C ATOM 965 C ILE A 64 -1.734 8.922 -1.083 1.00 0.00 C ATOM 966 O ILE A 64 -1.944 8.602 -2.251 1.00 0.00 O ATOM 967 CB ILE A 64 -0.824 7.601 0.847 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.368 7.495 -0.099 1.00 0.00 C ATOM 969 CG2 ILE A 64 -1.040 6.263 1.547 1.00 0.00 C ATOM 970 CD1 ILE A 64 1.254 8.727 0.057 1.00 0.00 C ATOM 0 H ILE A 64 -2.000 6.091 -0.863 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.781 8.462 0.717 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.628 8.373 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.940 6.593 0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.022 7.411 -1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.148 6.002 2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.892 6.339 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.236 5.491 0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.106 8.651 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.679 9.621 -0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.611 8.790 1.085 1.00 0.00 H new ATOM 982 N GLU A 65 -1.208 10.100 -0.737 1.00 0.00 N ATOM 983 CA GLU A 65 -0.842 11.091 -1.728 1.00 0.00 C ATOM 984 C GLU A 65 0.534 11.661 -1.410 1.00 0.00 C ATOM 985 O GLU A 65 0.851 11.915 -0.251 1.00 0.00 O ATOM 986 CB GLU A 65 -1.892 12.198 -1.749 1.00 0.00 C ATOM 987 CG GLU A 65 -1.301 13.449 -2.393 1.00 0.00 C ATOM 988 CD GLU A 65 -2.402 14.380 -2.881 1.00 0.00 C ATOM 989 OE1 GLU A 65 -3.138 13.957 -3.797 1.00 0.00 O ATOM 990 OE2 GLU A 65 -2.484 15.498 -2.329 1.00 0.00 O ATOM 0 H GLU A 65 -1.029 10.382 0.227 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.800 10.626 -2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.770 11.870 -2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.222 12.420 -0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.671 13.971 -1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.662 13.165 -3.229 1.00 0.00 H new ATOM 997 N VAL A 66 1.351 11.860 -2.447 1.00 0.00 N ATOM 998 CA VAL A 66 2.686 12.397 -2.276 1.00 0.00 C ATOM 999 C VAL A 66 2.966 13.433 -3.355 1.00 0.00 C ATOM 1000 O VAL A 66 2.460 13.325 -4.470 1.00 0.00 O ATOM 1001 CB VAL A 66 3.703 11.261 -2.341 1.00 0.00 C ATOM 1002 CG1 VAL A 66 3.173 10.058 -1.567 1.00 0.00 C ATOM 1003 CG2 VAL A 66 3.932 10.867 -3.798 1.00 0.00 C ATOM 0 H VAL A 66 1.102 11.654 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 66 2.765 12.883 -1.303 1.00 0.00 H new ATOM 0 HB VAL A 66 4.644 11.590 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.899 9.247 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.008 10.338 -0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.232 9.728 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.658 10.056 -3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.991 10.538 -4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.311 11.726 -4.352 1.00 0.00 H new ATOM 1013 N LYS A 67 3.775 14.441 -3.022 1.00 0.00 N ATOM 1014 CA LYS A 67 4.116 15.489 -3.961 1.00 0.00 C ATOM 1015 C LYS A 67 5.408 15.136 -4.685 1.00 0.00 C ATOM 1016 O LYS A 67 6.468 15.059 -4.068 1.00 0.00 O ATOM 1017 CB LYS A 67 4.259 16.814 -3.217 1.00 0.00 C ATOM 1018 CG LYS A 67 5.419 16.720 -2.231 1.00 0.00 C ATOM 1019 CD LYS A 67 4.999 17.314 -0.890 1.00 0.00 C ATOM 1020 CE LYS A 67 5.747 18.624 -0.657 1.00 0.00 C ATOM 1021 NZ LYS A 67 6.747 18.478 0.411 1.00 0.00 N ATOM 0 H LYS A 67 4.203 14.546 -2.102 1.00 0.00 H new ATOM 0 HA LYS A 67 3.323 15.587 -4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.434 17.624 -3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.335 17.048 -2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.717 15.679 -2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.286 17.254 -2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.923 17.490 -0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.215 16.611 -0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.238 18.936 -1.579 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.039 19.409 -0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.241 19.382 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.273 18.203 1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.435 17.745 0.145 1.00 0.00 H new ATOM 1035 N GLU A 68 5.317 14.919 -6.000 1.00 0.00 N ATOM 1036 CA GLU A 68 6.477 14.577 -6.797 1.00 0.00 C ATOM 1037 C GLU A 68 7.005 15.816 -7.505 1.00 0.00 C ATOM 1038 O GLU A 68 6.250 16.535 -8.155 1.00 0.00 O ATOM 1039 CB GLU A 68 6.096 13.499 -7.808 1.00 0.00 C ATOM 1040 CG GLU A 68 7.205 13.362 -8.848 1.00 0.00 C ATOM 1041 CD GLU A 68 6.686 13.683 -10.241 1.00 0.00 C ATOM 1042 OE1 GLU A 68 6.031 14.741 -10.372 1.00 0.00 O ATOM 1043 OE2 GLU A 68 6.952 12.867 -11.149 1.00 0.00 O ATOM 0 H GLU A 68 4.446 14.977 -6.527 1.00 0.00 H new ATOM 0 HA GLU A 68 7.265 14.192 -6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.940 12.547 -7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.156 13.758 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.028 14.032 -8.599 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.604 12.348 -8.829 1.00 0.00 H new ATOM 1050 N GLY A 69 8.310 16.066 -7.376 1.00 0.00 N ATOM 1051 CA GLY A 69 8.931 17.216 -8.004 1.00 0.00 C ATOM 1052 C GLY A 69 8.133 18.476 -7.701 1.00 0.00 C ATOM 1053 O GLY A 69 8.014 18.878 -6.545 1.00 0.00 O ATOM 0 H GLY A 69 8.951 15.482 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.953 17.329 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.989 17.064 -9.082 1.00 0.00 H new ATOM 1057 N ASP A 70 7.586 19.102 -8.745 1.00 0.00 N ATOM 1058 CA ASP A 70 6.805 20.312 -8.589 1.00 0.00 C ATOM 1059 C ASP A 70 5.326 19.995 -8.754 1.00 0.00 C ATOM 1060 O ASP A 70 4.587 20.769 -9.358 1.00 0.00 O ATOM 1061 CB ASP A 70 7.255 21.345 -9.618 1.00 0.00 C ATOM 1062 CG ASP A 70 8.680 21.801 -9.343 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.581 20.938 -9.433 1.00 0.00 O ATOM 1064 OD2 ASP A 70 8.844 23.004 -9.046 1.00 0.00 O ATOM 0 H ASP A 70 7.675 18.782 -9.709 1.00 0.00 H new ATOM 0 HA ASP A 70 6.960 20.723 -7.591 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.192 20.918 -10.619 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.584 22.203 -9.595 1.00 0.00 H new ATOM 1069 N ALA A 71 4.894 18.852 -8.213 1.00 0.00 N ATOM 1070 CA ALA A 71 3.508 18.440 -8.304 1.00 0.00 C ATOM 1071 C ALA A 71 3.200 17.423 -7.215 1.00 0.00 C ATOM 1072 O ALA A 71 3.988 17.246 -6.287 1.00 0.00 O ATOM 1073 CB ALA A 71 3.245 17.848 -9.686 1.00 0.00 C ATOM 0 H ALA A 71 5.494 18.200 -7.708 1.00 0.00 H new ATOM 0 HA ALA A 71 2.857 19.303 -8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.203 17.537 -9.756 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.452 18.599 -10.449 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.892 16.985 -9.841 1.00 0.00 H new ATOM 1079 N LYS A 72 2.050 16.756 -7.327 1.00 0.00 N ATOM 1080 CA LYS A 72 1.645 15.763 -6.352 1.00 0.00 C ATOM 1081 C LYS A 72 0.536 14.893 -6.928 1.00 0.00 C ATOM 1082 O LYS A 72 -0.290 15.367 -7.703 1.00 0.00 O ATOM 1083 CB LYS A 72 1.175 16.462 -5.079 1.00 0.00 C ATOM 1084 CG LYS A 72 -0.004 17.375 -5.406 1.00 0.00 C ATOM 1085 CD LYS A 72 0.403 18.830 -5.191 1.00 0.00 C ATOM 1086 CE LYS A 72 -0.618 19.515 -4.287 1.00 0.00 C ATOM 1087 NZ LYS A 72 -1.507 20.392 -5.065 1.00 0.00 N ATOM 0 H LYS A 72 1.386 16.892 -8.089 1.00 0.00 H new ATOM 0 HA LYS A 72 2.493 15.123 -6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.881 15.724 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.990 17.043 -4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.319 17.223 -6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.856 17.127 -4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.394 18.879 -4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.462 19.348 -6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.209 18.763 -3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.101 20.099 -3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.192 20.846 -4.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.942 21.123 -5.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.016 19.828 -5.775 1.00 0.00 H new ATOM 1101 N LYS A 73 0.524 13.613 -6.546 1.00 0.00 N ATOM 1102 CA LYS A 73 -0.481 12.685 -7.025 1.00 0.00 C ATOM 1103 C LYS A 73 -0.564 11.485 -6.091 1.00 0.00 C ATOM 1104 O LYS A 73 0.446 11.064 -5.527 1.00 0.00 O ATOM 1105 CB LYS A 73 -0.128 12.243 -8.443 1.00 0.00 C ATOM 1106 CG LYS A 73 1.254 11.596 -8.444 1.00 0.00 C ATOM 1107 CD LYS A 73 1.158 10.189 -9.028 1.00 0.00 C ATOM 1108 CE LYS A 73 1.322 10.254 -10.543 1.00 0.00 C ATOM 1109 NZ LYS A 73 2.726 10.499 -10.912 1.00 0.00 N ATOM 0 H LYS A 73 1.204 13.204 -5.905 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.455 13.174 -7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.872 11.537 -8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.141 13.100 -9.116 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.948 12.198 -9.030 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.648 11.553 -7.429 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.929 9.551 -8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.196 9.744 -8.775 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.983 9.319 -10.989 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.693 11.047 -10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.885 10.194 -11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.935 11.514 -10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.351 9.962 -10.277 1.00 0.00 H new ATOM 1123 N LEU A 74 -1.768 10.937 -5.931 1.00 0.00 N ATOM 1124 CA LEU A 74 -1.994 9.788 -5.054 1.00 0.00 C ATOM 1125 C LEU A 74 -1.155 8.578 -5.470 1.00 0.00 C ATOM 1126 O LEU A 74 -0.595 8.538 -6.563 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.481 9.421 -5.061 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.231 9.781 -6.360 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -3.270 9.906 -7.539 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -5.310 8.750 -6.669 1.00 0.00 C ATOM 0 H LEU A 74 -2.608 11.273 -6.401 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.686 10.070 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.577 8.349 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.969 9.923 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.708 10.749 -6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.830 10.160 -8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.540 10.689 -7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.753 8.958 -7.689 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.824 9.026 -7.589 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.851 7.769 -6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.027 8.717 -5.849 1.00 0.00 H new ATOM 1142 N TYR A 75 -1.073 7.589 -4.577 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.307 6.387 -4.838 1.00 0.00 C ATOM 1144 C TYR A 75 -0.954 5.200 -4.137 1.00 0.00 C ATOM 1145 O TYR A 75 -1.017 5.158 -2.911 1.00 0.00 O ATOM 1146 CB TYR A 75 1.127 6.584 -4.355 1.00 0.00 C ATOM 1147 CG TYR A 75 1.965 7.430 -5.283 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.865 8.825 -5.241 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.841 6.818 -6.187 1.00 0.00 C ATOM 1150 CE1 TYR A 75 2.643 9.610 -6.101 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.619 7.602 -7.049 1.00 0.00 C ATOM 1152 CZ TYR A 75 3.520 8.997 -7.006 1.00 0.00 C ATOM 1153 OH TYR A 75 4.277 9.761 -7.845 1.00 0.00 O ATOM 0 H TYR A 75 -1.532 7.605 -3.666 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.292 6.186 -5.909 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.109 7.049 -3.369 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.600 5.609 -4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.187 9.297 -4.545 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.917 5.741 -6.220 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.567 10.687 -6.067 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.295 7.130 -7.746 1.00 0.00 H new ATOM 0 HH TYR A 75 4.831 9.179 -8.406 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.435 4.233 -4.922 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.072 3.052 -4.373 1.00 0.00 C ATOM 1165 C GLU A 76 -1.014 2.063 -3.903 1.00 0.00 C ATOM 1166 O GLU A 76 -0.646 1.148 -4.636 1.00 0.00 O ATOM 1167 CB GLU A 76 -2.970 2.421 -5.433 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.653 3.520 -6.241 1.00 0.00 C ATOM 1169 CD GLU A 76 -4.870 4.060 -5.505 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -5.819 3.268 -5.318 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -4.829 5.256 -5.141 1.00 0.00 O ATOM 0 H GLU A 76 -1.391 4.253 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.684 3.331 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.380 1.784 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.718 1.785 -4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.948 4.330 -6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.955 3.128 -7.212 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.527 2.249 -2.675 1.00 0.00 N ATOM 1179 CA ALA A 77 0.483 1.376 -2.112 1.00 0.00 C ATOM 1180 C ALA A 77 -0.153 0.063 -1.681 1.00 0.00 C ATOM 1181 O ALA A 77 -1.005 0.044 -0.796 1.00 0.00 O ATOM 1182 CB ALA A 77 1.151 2.069 -0.928 1.00 0.00 C ATOM 0 H ALA A 77 -0.823 3.003 -2.055 1.00 0.00 H new ATOM 0 HA ALA A 77 1.242 1.159 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.911 1.413 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.618 2.995 -1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.402 2.295 -0.169 1.00 0.00 H new ATOM 1188 N LYS A 78 0.263 -1.039 -2.310 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.267 -2.348 -1.988 1.00 0.00 C ATOM 1190 C LYS A 78 0.803 -3.186 -1.301 1.00 0.00 C ATOM 1191 O LYS A 78 1.886 -3.384 -1.847 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.748 -3.029 -3.266 1.00 0.00 C ATOM 1193 CG LYS A 78 -1.580 -2.045 -4.083 1.00 0.00 C ATOM 1194 CD LYS A 78 -2.719 -1.503 -3.224 1.00 0.00 C ATOM 1195 CE LYS A 78 -3.256 -0.216 -3.842 1.00 0.00 C ATOM 1196 NZ LYS A 78 -3.094 0.919 -2.920 1.00 0.00 N ATOM 0 H LYS A 78 0.968 -1.041 -3.047 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.111 -2.244 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.105 -3.374 -3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.343 -3.909 -3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.953 -1.225 -4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.981 -2.539 -4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.516 -2.243 -3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.365 -1.312 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.731 -0.009 -4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.310 -0.340 -4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.886 1.781 -3.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.972 1.055 -2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.310 0.725 -2.265 1.00 0.00 H new ATOM 1210 N VAL A 79 0.495 -3.678 -0.099 1.00 0.00 N ATOM 1211 CA VAL A 79 1.427 -4.491 0.657 1.00 0.00 C ATOM 1212 C VAL A 79 0.836 -5.875 0.884 1.00 0.00 C ATOM 1213 O VAL A 79 -0.381 -6.042 0.876 1.00 0.00 O ATOM 1214 CB VAL A 79 1.734 -3.807 1.987 1.00 0.00 C ATOM 1215 CG1 VAL A 79 2.624 -4.714 2.831 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.453 -2.488 1.726 1.00 0.00 C ATOM 0 H VAL A 79 -0.399 -3.522 0.366 1.00 0.00 H new ATOM 0 HA VAL A 79 2.356 -4.602 0.099 1.00 0.00 H new ATOM 0 HB VAL A 79 0.803 -3.613 2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.844 -4.226 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.110 -5.657 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.555 -4.908 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.672 -1.999 2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.384 -2.680 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.817 -1.840 1.123 1.00 0.00 H new ATOM 1226 N TRP A 80 1.703 -6.869 1.089 1.00 0.00 N ATOM 1227 CA TRP A 80 1.260 -8.229 1.318 1.00 0.00 C ATOM 1228 C TRP A 80 2.012 -8.826 2.500 1.00 0.00 C ATOM 1229 O TRP A 80 3.132 -9.310 2.348 1.00 0.00 O ATOM 1230 CB TRP A 80 1.489 -9.058 0.057 1.00 0.00 C ATOM 1231 CG TRP A 80 0.728 -10.343 0.001 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.407 -10.608 0.684 1.00 0.00 C ATOM 1233 CD2 TRP A 80 1.023 -11.550 -0.765 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -0.832 -11.888 0.394 1.00 0.00 N ATOM 1235 CE2 TRP A 80 0.016 -12.515 -0.496 1.00 0.00 C ATOM 1236 CE3 TRP A 80 2.040 -11.929 -1.660 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 0.015 -13.785 -1.080 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 2.048 -13.200 -2.252 1.00 0.00 C ATOM 1239 CH2 TRP A 80 1.040 -14.128 -1.966 1.00 0.00 C ATOM 0 H TRP A 80 2.716 -6.748 1.099 1.00 0.00 H new ATOM 0 HA TRP A 80 0.195 -8.233 1.551 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.220 -8.455 -0.810 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.553 -9.279 -0.027 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.905 -9.923 1.354 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.669 -12.318 0.788 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.828 -11.229 -1.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.768 -14.492 -0.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.840 -13.466 -2.936 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.054 -15.104 -2.428 1.00 0.00 H new ATOM 1250 N GLU A 81 1.391 -8.792 3.681 1.00 0.00 N ATOM 1251 CA GLU A 81 2.002 -9.330 4.879 1.00 0.00 C ATOM 1252 C GLU A 81 1.270 -10.591 5.316 1.00 0.00 C ATOM 1253 O GLU A 81 0.183 -10.885 4.822 1.00 0.00 O ATOM 1254 CB GLU A 81 1.969 -8.276 5.982 1.00 0.00 C ATOM 1255 CG GLU A 81 0.628 -7.549 5.952 1.00 0.00 C ATOM 1256 CD GLU A 81 -0.295 -8.065 7.046 1.00 0.00 C ATOM 1257 OE1 GLU A 81 -0.568 -9.285 7.030 1.00 0.00 O ATOM 1258 OE2 GLU A 81 -0.712 -7.230 7.878 1.00 0.00 O ATOM 0 H GLU A 81 0.463 -8.394 3.824 1.00 0.00 H new ATOM 0 HA GLU A 81 3.040 -9.592 4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.118 -8.747 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.783 -7.565 5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.787 -6.478 6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.157 -7.687 4.979 1.00 0.00 H new ATOM 1265 N LYS A 82 1.869 -11.337 6.246 1.00 0.00 N ATOM 1266 CA LYS A 82 1.272 -12.560 6.744 1.00 0.00 C ATOM 1267 C LYS A 82 1.632 -12.752 8.212 1.00 0.00 C ATOM 1268 O LYS A 82 2.801 -12.916 8.551 1.00 0.00 O ATOM 1269 CB LYS A 82 1.761 -13.740 5.910 1.00 0.00 C ATOM 1270 CG LYS A 82 1.810 -13.337 4.439 1.00 0.00 C ATOM 1271 CD LYS A 82 2.583 -14.389 3.648 1.00 0.00 C ATOM 1272 CE LYS A 82 1.796 -14.764 2.396 1.00 0.00 C ATOM 1273 NZ LYS A 82 2.662 -15.419 1.404 1.00 0.00 N ATOM 0 H LYS A 82 2.770 -11.108 6.666 1.00 0.00 H new ATOM 0 HA LYS A 82 0.187 -12.498 6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.750 -14.052 6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.096 -14.593 6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.799 -13.240 4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.288 -12.363 4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.564 -14.003 3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.750 -15.273 4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.976 -15.430 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.351 -13.869 1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.102 -15.664 0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.430 -14.772 1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.067 -16.285 1.814 1.00 0.00 H new ATOM 1287 N PRO A 83 0.620 -12.730 9.082 1.00 0.00 N ATOM 1288 CA PRO A 83 0.769 -12.896 10.511 1.00 0.00 C ATOM 1289 C PRO A 83 1.101 -14.349 10.824 1.00 0.00 C ATOM 1290 O PRO A 83 2.006 -14.627 11.609 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.586 -12.506 11.095 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.557 -12.884 9.978 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.767 -12.539 8.718 1.00 0.00 C ATOM 0 HA PRO A 83 1.573 -12.289 10.927 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.800 -13.047 12.017 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.634 -11.443 11.330 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.823 -13.940 10.013 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.487 -12.319 10.041 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -1.049 -13.184 7.886 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.955 -11.513 8.403 1.00 0.00 H new ATOM 1301 N TRP A 84 0.365 -15.276 10.209 1.00 0.00 N ATOM 1302 CA TRP A 84 0.586 -16.692 10.428 1.00 0.00 C ATOM 1303 C TRP A 84 2.074 -17.002 10.348 1.00 0.00 C ATOM 1304 O TRP A 84 2.514 -18.070 10.769 1.00 0.00 O ATOM 1305 CB TRP A 84 -0.191 -17.493 9.387 1.00 0.00 C ATOM 1306 CG TRP A 84 0.390 -17.468 8.010 1.00 0.00 C ATOM 1307 CD1 TRP A 84 1.417 -18.234 7.581 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.002 -16.647 6.866 1.00 0.00 C ATOM 1309 NE1 TRP A 84 1.689 -17.946 6.261 1.00 0.00 N ATOM 1310 CE2 TRP A 84 0.845 -16.971 5.769 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.975 -15.660 6.644 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 0.725 -16.354 4.521 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -1.104 -15.034 5.396 1.00 0.00 C ATOM 1314 CH2 TRP A 84 -0.258 -15.377 4.335 1.00 0.00 C ATOM 0 H TRP A 84 -0.389 -15.063 9.556 1.00 0.00 H new ATOM 0 HA TRP A 84 0.232 -16.970 11.421 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.254 -18.529 9.720 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.211 -17.110 9.342 1.00 0.00 H new ATOM 0 HD1 TRP A 84 1.944 -18.961 8.181 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.423 -18.397 5.715 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.638 -15.379 7.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.383 -16.628 3.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.864 -14.280 5.252 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.364 -14.889 3.377 1.00 0.00 H new ATOM 1325 N MET A 85 2.851 -16.063 9.802 1.00 0.00 N ATOM 1326 CA MET A 85 4.282 -16.240 9.668 1.00 0.00 C ATOM 1327 C MET A 85 4.989 -14.905 9.850 1.00 0.00 C ATOM 1328 O MET A 85 6.193 -14.800 9.622 1.00 0.00 O ATOM 1329 CB MET A 85 4.593 -16.834 8.296 1.00 0.00 C ATOM 1330 CG MET A 85 4.279 -15.804 7.214 1.00 0.00 C ATOM 1331 SD MET A 85 4.606 -16.385 5.531 1.00 0.00 S ATOM 1332 CE MET A 85 6.414 -16.432 5.587 1.00 0.00 C ATOM 0 H MET A 85 2.503 -15.172 9.447 1.00 0.00 H new ATOM 0 HA MET A 85 4.640 -16.924 10.437 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.642 -17.125 8.243 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.003 -17.737 8.136 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.230 -15.518 7.292 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.869 -14.906 7.399 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.807 -16.544 4.576 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.789 -15.505 6.021 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.737 -17.275 6.197 1.00 0.00 H new ATOM 1342 N ASP A 86 4.237 -13.883 10.263 1.00 0.00 N ATOM 1343 CA ASP A 86 4.792 -12.560 10.473 1.00 0.00 C ATOM 1344 C ASP A 86 5.721 -12.204 9.321 1.00 0.00 C ATOM 1345 O ASP A 86 6.935 -12.362 9.428 1.00 0.00 O ATOM 1346 CB ASP A 86 5.541 -12.530 11.801 1.00 0.00 C ATOM 1347 CG ASP A 86 4.779 -11.717 12.837 1.00 0.00 C ATOM 1348 OD1 ASP A 86 3.860 -12.300 13.453 1.00 0.00 O ATOM 1349 OD2 ASP A 86 5.127 -10.527 12.995 1.00 0.00 O ATOM 0 H ASP A 86 3.238 -13.955 10.457 1.00 0.00 H new ATOM 0 HA ASP A 86 3.989 -11.824 10.507 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.684 -13.547 12.165 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.532 -12.101 11.654 1.00 0.00 H new ATOM 1354 N PHE A 87 5.148 -11.720 8.217 1.00 0.00 N ATOM 1355 CA PHE A 87 5.927 -11.344 7.055 1.00 0.00 C ATOM 1356 C PHE A 87 5.242 -10.200 6.321 1.00 0.00 C ATOM 1357 O PHE A 87 4.106 -9.850 6.632 1.00 0.00 O ATOM 1358 CB PHE A 87 6.088 -12.554 6.139 1.00 0.00 C ATOM 1359 CG PHE A 87 6.472 -12.193 4.723 1.00 0.00 C ATOM 1360 CD1 PHE A 87 7.822 -12.075 4.372 1.00 0.00 C ATOM 1361 CD2 PHE A 87 5.477 -11.977 3.762 1.00 0.00 C ATOM 1362 CE1 PHE A 87 8.177 -11.742 3.060 1.00 0.00 C ATOM 1363 CE2 PHE A 87 5.832 -11.645 2.450 1.00 0.00 C ATOM 1364 CZ PHE A 87 7.183 -11.527 2.099 1.00 0.00 C ATOM 0 H PHE A 87 4.143 -11.582 8.112 1.00 0.00 H new ATOM 0 HA PHE A 87 6.915 -11.007 7.369 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.847 -13.216 6.555 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.153 -13.113 6.122 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.589 -12.241 5.114 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.436 -12.067 4.033 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.219 -11.651 2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.065 -11.480 1.708 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.457 -11.270 1.087 1.00 0.00 H new ATOM 1374 N LYS A 88 5.938 -9.614 5.344 1.00 0.00 N ATOM 1375 CA LYS A 88 5.395 -8.514 4.573 1.00 0.00 C ATOM 1376 C LYS A 88 6.384 -8.101 3.492 1.00 0.00 C ATOM 1377 O LYS A 88 7.593 -8.214 3.676 1.00 0.00 O ATOM 1378 CB LYS A 88 5.091 -7.344 5.504 1.00 0.00 C ATOM 1379 CG LYS A 88 6.393 -6.640 5.878 1.00 0.00 C ATOM 1380 CD LYS A 88 6.508 -5.333 5.099 1.00 0.00 C ATOM 1381 CE LYS A 88 5.720 -4.242 5.818 1.00 0.00 C ATOM 1382 NZ LYS A 88 6.043 -4.216 7.253 1.00 0.00 N ATOM 0 H LYS A 88 6.882 -9.891 5.074 1.00 0.00 H new ATOM 0 HA LYS A 88 4.470 -8.827 4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.413 -6.643 5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.587 -7.701 6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.416 -6.440 6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.244 -7.284 5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.554 -5.042 5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.126 -5.466 4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.946 -3.273 5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.652 -4.413 5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.923 -3.250 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.406 -4.861 7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.028 -4.519 7.393 1.00 0.00 H new ATOM 1396 N GLU A 89 5.864 -7.618 2.360 1.00 0.00 N ATOM 1397 CA GLU A 89 6.703 -7.191 1.259 1.00 0.00 C ATOM 1398 C GLU A 89 5.918 -6.268 0.337 1.00 0.00 C ATOM 1399 O GLU A 89 4.811 -6.603 -0.085 1.00 0.00 O ATOM 1400 CB GLU A 89 7.205 -8.415 0.499 1.00 0.00 C ATOM 1401 CG GLU A 89 8.133 -7.969 -0.627 1.00 0.00 C ATOM 1402 CD GLU A 89 9.409 -8.798 -0.640 1.00 0.00 C ATOM 1403 OE1 GLU A 89 10.212 -8.619 0.300 1.00 0.00 O ATOM 1404 OE2 GLU A 89 9.558 -9.596 -1.591 1.00 0.00 O ATOM 0 H GLU A 89 4.863 -7.517 2.191 1.00 0.00 H new ATOM 0 HA GLU A 89 7.561 -6.641 1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.734 -9.085 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.363 -8.974 0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.622 -8.066 -1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.381 -6.915 -0.503 1.00 0.00 H new ATOM 1411 N LEU A 90 6.495 -5.107 0.026 1.00 0.00 N ATOM 1412 CA LEU A 90 5.848 -4.122 -0.842 1.00 0.00 C ATOM 1413 C LEU A 90 5.582 -4.678 -2.242 1.00 0.00 C ATOM 1414 O LEU A 90 6.478 -5.210 -2.895 1.00 0.00 O ATOM 1415 CB LEU A 90 6.722 -2.868 -0.935 1.00 0.00 C ATOM 1416 CG LEU A 90 6.018 -1.630 -1.530 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.301 -1.972 -2.833 1.00 0.00 C ATOM 1418 CD2 LEU A 90 5.034 -1.031 -0.531 1.00 0.00 C ATOM 0 H LEU A 90 7.415 -4.824 0.365 1.00 0.00 H new ATOM 0 HA LEU A 90 4.883 -3.872 -0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.082 -2.619 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.598 -3.097 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 90 6.788 -0.890 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.815 -1.079 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.024 -2.342 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.551 -2.740 -2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.551 -0.160 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.279 -1.774 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.568 -0.730 0.370 1.00 0.00 H new ATOM 1430 N GLN A 91 4.332 -4.552 -2.695 1.00 0.00 N ATOM 1431 CA GLN A 91 3.940 -5.039 -4.002 1.00 0.00 C ATOM 1432 C GLN A 91 4.078 -3.927 -5.032 1.00 0.00 C ATOM 1433 O GLN A 91 4.595 -4.149 -6.125 1.00 0.00 O ATOM 1434 CB GLN A 91 2.502 -5.546 -3.942 1.00 0.00 C ATOM 1435 CG GLN A 91 2.418 -6.734 -2.988 1.00 0.00 C ATOM 1436 CD GLN A 91 2.861 -8.016 -3.679 1.00 0.00 C ATOM 1437 OE1 GLN A 91 2.590 -8.212 -4.862 1.00 0.00 O ATOM 1438 NE2 GLN A 91 3.543 -8.890 -2.936 1.00 0.00 N ATOM 0 H GLN A 91 3.578 -4.114 -2.167 1.00 0.00 H new ATOM 0 HA GLN A 91 4.591 -5.862 -4.298 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.838 -4.749 -3.606 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.168 -5.841 -4.937 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.045 -6.550 -2.116 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.395 -6.845 -2.627 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.743 -8.681 -1.958 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.864 -9.767 -3.346 1.00 0.00 H new ATOM 1447 N GLU A 92 3.614 -2.726 -4.679 1.00 0.00 N ATOM 1448 CA GLU A 92 3.691 -1.587 -5.574 1.00 0.00 C ATOM 1449 C GLU A 92 2.751 -0.489 -5.097 1.00 0.00 C ATOM 1450 O GLU A 92 1.626 -0.765 -4.686 1.00 0.00 O ATOM 1451 CB GLU A 92 3.334 -2.030 -6.990 1.00 0.00 C ATOM 1452 CG GLU A 92 4.601 -2.093 -7.838 1.00 0.00 C ATOM 1453 CD GLU A 92 4.446 -3.099 -8.970 1.00 0.00 C ATOM 1454 OE1 GLU A 92 3.350 -3.114 -9.570 1.00 0.00 O ATOM 1455 OE2 GLU A 92 5.427 -3.835 -9.213 1.00 0.00 O ATOM 0 H GLU A 92 3.182 -2.525 -3.777 1.00 0.00 H new ATOM 0 HA GLU A 92 4.706 -1.190 -5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.851 -3.007 -6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.622 -1.333 -7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.818 -1.107 -8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.449 -2.371 -7.212 1.00 0.00 H new ATOM 1462 N PHE A 93 3.216 0.761 -5.156 1.00 0.00 N ATOM 1463 CA PHE A 93 2.416 1.893 -4.733 1.00 0.00 C ATOM 1464 C PHE A 93 2.417 2.961 -5.818 1.00 0.00 C ATOM 1465 O PHE A 93 3.414 3.652 -6.012 1.00 0.00 O ATOM 1466 CB PHE A 93 2.975 2.449 -3.426 1.00 0.00 C ATOM 1467 CG PHE A 93 4.018 3.523 -3.625 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.267 3.195 -4.162 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.732 4.848 -3.274 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.233 4.192 -4.348 1.00 0.00 C ATOM 1471 CE2 PHE A 93 4.697 5.845 -3.460 1.00 0.00 C ATOM 1472 CZ PHE A 93 5.947 5.517 -3.997 1.00 0.00 C ATOM 0 H PHE A 93 4.146 1.006 -5.495 1.00 0.00 H new ATOM 0 HA PHE A 93 1.387 1.574 -4.567 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.155 2.855 -2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.411 1.633 -2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.487 2.173 -4.433 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.767 5.101 -2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.198 3.939 -4.762 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.477 6.867 -3.189 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.691 6.286 -4.141 1.00 0.00 H new ATOM 1482 N LYS A 94 1.294 3.094 -6.526 1.00 0.00 N ATOM 1483 CA LYS A 94 1.171 4.075 -7.586 1.00 0.00 C ATOM 1484 C LYS A 94 -0.298 4.346 -7.872 1.00 0.00 C ATOM 1485 O LYS A 94 -1.165 3.565 -7.487 1.00 0.00 O ATOM 1486 CB LYS A 94 1.880 3.563 -8.836 1.00 0.00 C ATOM 1487 CG LYS A 94 3.133 4.396 -9.088 1.00 0.00 C ATOM 1488 CD LYS A 94 4.244 3.498 -9.624 1.00 0.00 C ATOM 1489 CE LYS A 94 4.835 2.682 -8.477 1.00 0.00 C ATOM 1490 NZ LYS A 94 5.155 1.314 -8.913 1.00 0.00 N ATOM 0 H LYS A 94 0.458 2.529 -6.378 1.00 0.00 H new ATOM 0 HA LYS A 94 1.638 5.010 -7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.147 2.514 -8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.212 3.622 -9.696 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.917 5.190 -9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.454 4.877 -8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.850 2.833 -10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.021 4.102 -10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.737 3.169 -8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.128 2.647 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.707 0.834 -8.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.274 0.789 -9.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.711 1.351 -9.791 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.578 5.461 -8.554 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.914 5.881 -8.918 1.00 0.00 C ATOM 1506 C PRO A 95 -2.446 4.985 -10.028 1.00 0.00 C ATOM 1507 O PRO A 95 -3.543 5.207 -10.535 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.753 7.319 -9.405 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.336 7.325 -9.978 1.00 0.00 C ATOM 1510 CD PRO A 95 0.416 6.401 -9.022 1.00 0.00 C ATOM 0 HA PRO A 95 -2.620 5.815 -8.090 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.496 7.576 -10.160 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.864 8.036 -8.592 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.312 6.954 -11.003 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.091 8.328 -9.992 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.235 5.890 -9.529 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.852 6.960 -8.194 1.00 0.00 H new ATOM 1518 N VAL A 96 -1.664 3.970 -10.404 1.00 0.00 N ATOM 1519 CA VAL A 96 -2.057 3.048 -11.450 1.00 0.00 C ATOM 1520 C VAL A 96 -2.398 3.822 -12.716 1.00 0.00 C ATOM 1521 O VAL A 96 -3.542 4.230 -12.908 1.00 0.00 O ATOM 1522 CB VAL A 96 -3.256 2.227 -10.980 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -3.727 1.320 -12.112 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -2.847 1.375 -9.781 1.00 0.00 C ATOM 0 H VAL A 96 -0.752 3.773 -9.992 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.233 2.370 -11.671 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.066 2.897 -10.692 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.583 0.734 -11.777 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.017 1.928 -12.969 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.918 0.649 -12.401 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.701 0.788 -9.444 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.037 0.705 -10.070 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.510 2.023 -8.972 1.00 0.00 H new