USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 642 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 35 HIS : no HD1:sc= -2.36! C(o=-2.4!,f=-3!) USER MOD Set 1.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 13 TYR OH : rot 150:sc= -0.601 USER MOD Set 2.2: A 24 SER OG : rot 39:sc= 0.253 USER MOD Single : A 15 ASN : amide:sc= -0.382 K(o=-0.38,f=-3.5!) USER MOD Single : A 19 ASN : amide:sc= -0.0462 K(o=-0.046,f=-1.5) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc=-0.00997 K(o=-0.01,f=-1.4) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot -63:sc= -1.01 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= -0.895 F(o=-2.8!,f=-0.89) USER MOD Single : A 33 HIS : no HE2:sc= -0.623 K(o=-0.62,f=-5.5!) USER MOD Single : A 38 GLN : amide:sc= -0.942 X(o=-0.94,f=-0.71) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 48 GLN : amide:sc= -0.108 K(o=-0.11,f=-2.1!) USER MOD Single : A 51 SER OG : rot 45:sc= 0.791 USER MOD Single : A 55 CYS SG : rot 88:sc= -2.67! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.032) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -85:sc= -0.112 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -2.18 F(o=-2.7!,f=-2.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -125:sc= -0.894 (180deg=-2.16) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 52:sc= 0.871 USER MOD ----------------------------------------------------------------- ATOM 136 N TYR A 13 -3.280 -10.075 7.297 1.00 0.00 N ATOM 137 CA TYR A 13 -2.654 -10.813 6.206 1.00 0.00 C ATOM 138 C TYR A 13 -3.388 -10.566 4.891 1.00 0.00 C ATOM 139 O TYR A 13 -4.561 -10.910 4.747 1.00 0.00 O ATOM 140 CB TYR A 13 -2.636 -12.310 6.520 1.00 0.00 C ATOM 141 CG TYR A 13 -1.444 -13.036 5.938 1.00 0.00 C ATOM 142 CD1 TYR A 13 -0.150 -12.596 6.184 1.00 0.00 C ATOM 143 CD2 TYR A 13 -1.613 -14.163 5.143 1.00 0.00 C ATOM 144 CE1 TYR A 13 0.942 -13.256 5.654 1.00 0.00 C ATOM 145 CE2 TYR A 13 -0.527 -14.830 4.610 1.00 0.00 C ATOM 146 CZ TYR A 13 0.748 -14.373 4.868 1.00 0.00 C ATOM 147 OH TYR A 13 1.833 -15.033 4.339 1.00 0.00 O ATOM 0 HA TYR A 13 -1.629 -10.458 6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.641 -12.446 7.601 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.550 -12.764 6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.005 -11.723 6.800 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.610 -14.524 4.938 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.942 -12.900 5.854 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.676 -15.705 3.994 1.00 0.00 H new ATOM 0 HH TYR A 13 1.621 -15.985 4.240 1.00 0.00 H new ATOM 157 N LEU A 14 -2.687 -9.968 3.934 1.00 0.00 N ATOM 158 CA LEU A 14 -3.269 -9.674 2.629 1.00 0.00 C ATOM 159 C LEU A 14 -2.437 -10.293 1.510 1.00 0.00 C ATOM 160 O LEU A 14 -1.272 -10.637 1.707 1.00 0.00 O ATOM 161 CB LEU A 14 -3.375 -8.162 2.425 1.00 0.00 C ATOM 162 CG LEU A 14 -4.618 -7.492 3.010 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.512 -5.979 2.898 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.874 -7.993 2.312 1.00 0.00 C ATOM 0 H LEU A 14 -1.715 -9.677 4.037 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.268 -10.109 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.494 -7.694 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.346 -7.957 1.355 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.684 -7.754 4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.406 -5.519 3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.634 -5.634 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.420 -5.697 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.749 -7.505 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.816 -7.762 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.959 -9.072 2.445 1.00 0.00 H new ATOM 176 N ASN A 15 -3.043 -10.430 0.336 1.00 0.00 N ATOM 177 CA ASN A 15 -2.358 -11.006 -0.816 1.00 0.00 C ATOM 178 C ASN A 15 -1.839 -9.911 -1.744 1.00 0.00 C ATOM 179 O ASN A 15 -2.615 -9.241 -2.426 1.00 0.00 O ATOM 180 CB ASN A 15 -3.299 -11.937 -1.583 1.00 0.00 C ATOM 181 CG ASN A 15 -3.230 -13.367 -1.084 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.382 -13.709 -0.260 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.124 -14.212 -1.584 1.00 0.00 N ATOM 0 H ASN A 15 -4.007 -10.150 0.157 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.507 -11.581 -0.451 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.322 -11.572 -1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.046 -11.912 -2.643 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.125 -15.188 -1.287 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.809 -13.885 -2.265 1.00 0.00 H new ATOM 190 N VAL A 16 -0.522 -9.735 -1.764 1.00 0.00 N ATOM 191 CA VAL A 16 0.101 -8.723 -2.609 1.00 0.00 C ATOM 192 C VAL A 16 0.548 -9.317 -3.940 1.00 0.00 C ATOM 193 O VAL A 16 1.405 -10.201 -3.982 1.00 0.00 O ATOM 194 CB VAL A 16 1.315 -8.080 -1.913 1.00 0.00 C ATOM 195 CG1 VAL A 16 1.955 -7.034 -2.813 1.00 0.00 C ATOM 196 CG2 VAL A 16 0.904 -7.470 -0.582 1.00 0.00 C ATOM 0 H VAL A 16 0.134 -10.280 -1.205 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.652 -7.956 -2.791 1.00 0.00 H new ATOM 0 HB VAL A 16 2.054 -8.857 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.811 -6.591 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.287 -7.504 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.226 -6.256 -3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.774 -7.020 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.147 -6.705 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.496 -8.247 0.064 1.00 0.00 H new ATOM 206 N LEU A 17 -0.038 -8.827 -5.027 1.00 0.00 N ATOM 207 CA LEU A 17 0.300 -9.309 -6.362 1.00 0.00 C ATOM 208 C LEU A 17 1.779 -9.091 -6.661 1.00 0.00 C ATOM 209 O LEU A 17 2.319 -8.011 -6.420 1.00 0.00 O ATOM 210 CB LEU A 17 -0.555 -8.600 -7.413 1.00 0.00 C ATOM 211 CG LEU A 17 -0.555 -9.223 -8.810 1.00 0.00 C ATOM 212 CD1 LEU A 17 -1.262 -10.569 -8.795 1.00 0.00 C ATOM 213 CD2 LEU A 17 -1.211 -8.285 -9.812 1.00 0.00 C ATOM 0 H LEU A 17 -0.749 -8.096 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 17 0.095 -10.379 -6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.583 -8.565 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.211 -7.569 -7.497 1.00 0.00 H new ATOM 0 HG LEU A 17 0.479 -9.383 -9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.252 -10.997 -9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.749 -11.242 -8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.293 -10.435 -8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.202 -8.745 -10.800 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.241 -8.093 -9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.661 -7.345 -9.844 1.00 0.00 H new ATOM 225 N VAL A 18 2.429 -10.122 -7.191 1.00 0.00 N ATOM 226 CA VAL A 18 3.846 -10.042 -7.527 1.00 0.00 C ATOM 227 C VAL A 18 4.138 -10.747 -8.846 1.00 0.00 C ATOM 228 O VAL A 18 3.999 -11.965 -8.955 1.00 0.00 O ATOM 229 CB VAL A 18 4.721 -10.662 -6.421 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.190 -10.614 -6.813 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.490 -9.949 -5.097 1.00 0.00 C ATOM 0 H VAL A 18 1.997 -11.023 -7.397 1.00 0.00 H new ATOM 0 HA VAL A 18 4.090 -8.984 -7.622 1.00 0.00 H new ATOM 0 HB VAL A 18 4.436 -11.707 -6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.793 -11.056 -6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.339 -11.173 -7.737 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.493 -9.578 -6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.116 -10.400 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.746 -8.895 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.442 -10.041 -4.812 1.00 0.00 H new ATOM 241 N ASN A 19 4.546 -9.973 -9.847 1.00 0.00 N ATOM 242 CA ASN A 19 4.858 -10.524 -11.161 1.00 0.00 C ATOM 243 C ASN A 19 3.689 -11.342 -11.700 1.00 0.00 C ATOM 244 O ASN A 19 3.874 -12.444 -12.215 1.00 0.00 O ATOM 245 CB ASN A 19 6.113 -11.396 -11.086 1.00 0.00 C ATOM 246 CG ASN A 19 7.383 -10.605 -11.338 1.00 0.00 C ATOM 247 OD1 ASN A 19 7.363 -9.374 -11.377 1.00 0.00 O ATOM 248 ND2 ASN A 19 8.494 -11.310 -11.511 1.00 0.00 N ATOM 0 H ASN A 19 4.668 -8.963 -9.773 1.00 0.00 H new ATOM 0 HA ASN A 19 5.041 -9.693 -11.842 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.169 -11.864 -10.103 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.038 -12.200 -11.818 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.379 -10.833 -11.685 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.463 -12.329 -11.470 1.00 0.00 H new ATOM 255 N SER A 20 2.484 -10.793 -11.578 1.00 0.00 N ATOM 256 CA SER A 20 1.284 -11.473 -12.050 1.00 0.00 C ATOM 257 C SER A 20 1.044 -12.760 -11.266 1.00 0.00 C ATOM 258 O SER A 20 0.592 -13.761 -11.821 1.00 0.00 O ATOM 259 CB SER A 20 1.403 -11.787 -13.543 1.00 0.00 C ATOM 260 OG SER A 20 0.129 -11.814 -14.162 1.00 0.00 O ATOM 0 H SER A 20 2.314 -9.880 -11.157 1.00 0.00 H new ATOM 0 HA SER A 20 0.435 -10.808 -11.892 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.030 -11.038 -14.026 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.896 -12.750 -13.677 1.00 0.00 H new ATOM 0 HG SER A 20 0.233 -12.015 -15.116 1.00 0.00 H new ATOM 266 N GLN A 21 1.350 -12.723 -9.973 1.00 0.00 N ATOM 267 CA GLN A 21 1.169 -13.886 -9.113 1.00 0.00 C ATOM 268 C GLN A 21 0.789 -13.462 -7.698 1.00 0.00 C ATOM 269 O GLN A 21 1.492 -12.674 -7.066 1.00 0.00 O ATOM 270 CB GLN A 21 2.447 -14.727 -9.080 1.00 0.00 C ATOM 271 CG GLN A 21 2.506 -15.787 -10.168 1.00 0.00 C ATOM 272 CD GLN A 21 3.345 -16.985 -9.770 1.00 0.00 C ATOM 273 OE1 GLN A 21 4.193 -16.896 -8.882 1.00 0.00 O ATOM 274 NE2 GLN A 21 3.112 -18.116 -10.426 1.00 0.00 N ATOM 0 H GLN A 21 1.724 -11.901 -9.499 1.00 0.00 H new ATOM 0 HA GLN A 21 0.358 -14.487 -9.523 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.309 -14.067 -9.180 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.528 -15.212 -8.107 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.494 -16.118 -10.402 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.916 -15.347 -11.077 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.399 -18.145 -11.155 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.646 -18.956 -10.201 1.00 0.00 H new ATOM 283 N TRP A 22 -0.327 -13.990 -7.208 1.00 0.00 N ATOM 284 CA TRP A 22 -0.801 -13.666 -5.867 1.00 0.00 C ATOM 285 C TRP A 22 -0.027 -14.449 -4.812 1.00 0.00 C ATOM 286 O TRP A 22 -0.278 -15.634 -4.596 1.00 0.00 O ATOM 287 CB TRP A 22 -2.296 -13.964 -5.747 1.00 0.00 C ATOM 288 CG TRP A 22 -3.144 -13.132 -6.661 1.00 0.00 C ATOM 289 CD1 TRP A 22 -3.720 -13.530 -7.833 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.508 -11.759 -6.478 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.420 -12.488 -8.391 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.307 -11.391 -7.579 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.239 -10.807 -5.492 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.836 -10.111 -7.718 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.765 -9.536 -5.632 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.557 -9.198 -6.737 1.00 0.00 C ATOM 0 H TRP A 22 -0.920 -14.644 -7.719 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.635 -12.602 -5.697 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.467 -15.018 -5.964 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.611 -13.795 -4.717 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.637 -14.519 -8.259 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -4.940 -12.525 -9.268 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.631 -11.059 -4.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.445 -9.847 -8.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.562 -8.791 -4.877 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.955 -8.197 -6.816 1.00 0.00 H new ATOM 307 N LYS A 23 0.915 -13.778 -4.157 1.00 0.00 N ATOM 308 CA LYS A 23 1.725 -14.411 -3.123 1.00 0.00 C ATOM 309 C LYS A 23 1.359 -13.876 -1.742 1.00 0.00 C ATOM 310 O LYS A 23 1.213 -12.668 -1.552 1.00 0.00 O ATOM 311 CB LYS A 23 3.212 -14.174 -3.395 1.00 0.00 C ATOM 312 CG LYS A 23 3.656 -14.620 -4.777 1.00 0.00 C ATOM 313 CD LYS A 23 5.140 -14.376 -4.992 1.00 0.00 C ATOM 314 CE LYS A 23 5.758 -15.445 -5.879 1.00 0.00 C ATOM 315 NZ LYS A 23 7.160 -15.111 -6.256 1.00 0.00 N ATOM 0 H LYS A 23 1.136 -12.796 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 23 1.524 -15.482 -3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.430 -13.112 -3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.799 -14.704 -2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.438 -15.680 -4.905 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.085 -14.083 -5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.287 -13.396 -5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.651 -14.361 -4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.740 -16.403 -5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.157 -15.560 -6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.546 -15.864 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.175 -14.209 -6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.740 -15.026 -5.397 1.00 0.00 H new ATOM 329 N SER A 24 1.212 -14.782 -0.781 1.00 0.00 N ATOM 330 CA SER A 24 0.860 -14.401 0.582 1.00 0.00 C ATOM 331 C SER A 24 1.891 -13.435 1.159 1.00 0.00 C ATOM 332 O SER A 24 3.074 -13.760 1.259 1.00 0.00 O ATOM 333 CB SER A 24 0.755 -15.643 1.470 1.00 0.00 C ATOM 334 OG SER A 24 1.941 -16.415 1.410 1.00 0.00 O ATOM 0 H SER A 24 1.331 -15.785 -0.921 1.00 0.00 H new ATOM 0 HA SER A 24 -0.107 -13.899 0.555 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.565 -15.342 2.500 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.094 -16.249 1.153 1.00 0.00 H new ATOM 0 HG SER A 24 2.719 -15.819 1.387 1.00 0.00 H new ATOM 340 N ARG A 25 1.432 -12.247 1.537 1.00 0.00 N ATOM 341 CA ARG A 25 2.313 -11.232 2.103 1.00 0.00 C ATOM 342 C ARG A 25 1.664 -10.562 3.311 1.00 0.00 C ATOM 343 O ARG A 25 0.444 -10.406 3.366 1.00 0.00 O ATOM 344 CB ARG A 25 2.659 -10.181 1.048 1.00 0.00 C ATOM 345 CG ARG A 25 3.592 -9.093 1.555 1.00 0.00 C ATOM 346 CD ARG A 25 5.050 -9.449 1.309 1.00 0.00 C ATOM 347 NE ARG A 25 5.394 -9.394 -0.110 1.00 0.00 N ATOM 348 CZ ARG A 25 6.394 -10.081 -0.650 1.00 0.00 C ATOM 349 NH1 ARG A 25 7.144 -10.872 0.105 1.00 0.00 N ATOM 350 NH2 ARG A 25 6.646 -9.978 -1.949 1.00 0.00 N ATOM 0 H ARG A 25 0.455 -11.963 1.462 1.00 0.00 H new ATOM 0 HA ARG A 25 3.229 -11.723 2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.121 -10.675 0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.738 -9.721 0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.358 -8.151 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.429 -8.940 2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.690 -8.763 1.864 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.249 -10.450 1.692 1.00 0.00 H new ATOM 0 HE ARG A 25 4.836 -8.796 -0.719 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.954 -10.954 1.104 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.911 -11.398 -0.313 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.071 -9.371 -2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.414 -10.506 -2.363 1.00 0.00 H new ATOM 364 N TRP A 26 2.488 -10.167 4.275 1.00 0.00 N ATOM 365 CA TRP A 26 1.994 -9.514 5.482 1.00 0.00 C ATOM 366 C TRP A 26 1.962 -8.000 5.306 1.00 0.00 C ATOM 367 O TRP A 26 2.989 -7.330 5.420 1.00 0.00 O ATOM 368 CB TRP A 26 2.870 -9.882 6.681 1.00 0.00 C ATOM 369 CG TRP A 26 2.310 -9.418 7.991 1.00 0.00 C ATOM 370 CD1 TRP A 26 1.831 -8.172 8.282 1.00 0.00 C ATOM 371 CD2 TRP A 26 2.172 -10.192 9.187 1.00 0.00 C ATOM 372 NE1 TRP A 26 1.404 -8.126 9.587 1.00 0.00 N ATOM 373 CE2 TRP A 26 1.602 -9.353 10.164 1.00 0.00 C ATOM 374 CE3 TRP A 26 2.474 -11.514 9.527 1.00 0.00 C ATOM 375 CZ2 TRP A 26 1.329 -9.794 11.456 1.00 0.00 C ATOM 376 CZ3 TRP A 26 2.203 -11.950 10.810 1.00 0.00 C ATOM 377 CH2 TRP A 26 1.634 -11.092 11.762 1.00 0.00 C ATOM 0 H TRP A 26 3.500 -10.287 4.244 1.00 0.00 H new ATOM 0 HA TRP A 26 0.977 -9.862 5.664 1.00 0.00 H new ATOM 0 HB2 TRP A 26 2.996 -10.964 6.711 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.861 -9.449 6.544 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.794 -7.345 7.588 1.00 0.00 H new ATOM 0 HE1 TRP A 26 1.004 -7.310 10.051 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.911 -12.182 8.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.892 -9.134 12.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.433 -12.969 11.084 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.433 -11.463 12.756 1.00 0.00 H new ATOM 388 N CYS A 27 0.777 -7.466 5.029 1.00 0.00 N ATOM 389 CA CYS A 27 0.612 -6.030 4.838 1.00 0.00 C ATOM 390 C CYS A 27 0.354 -5.330 6.168 1.00 0.00 C ATOM 391 O CYS A 27 -0.459 -5.785 6.973 1.00 0.00 O ATOM 392 CB CYS A 27 -0.540 -5.753 3.870 1.00 0.00 C ATOM 393 SG CYS A 27 -0.155 -6.116 2.141 1.00 0.00 S ATOM 0 H CYS A 27 -0.083 -8.006 4.932 1.00 0.00 H new ATOM 0 HA CYS A 27 1.536 -5.636 4.415 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.404 -6.346 4.171 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.828 -4.705 3.955 1.00 0.00 H new ATOM 0 HG CYS A 27 0.805 -5.337 1.737 1.00 0.00 H new ATOM 399 N SER A 28 1.052 -4.221 6.393 1.00 0.00 N ATOM 400 CA SER A 28 0.903 -3.461 7.628 1.00 0.00 C ATOM 401 C SER A 28 1.065 -1.966 7.369 1.00 0.00 C ATOM 402 O SER A 28 2.153 -1.497 7.035 1.00 0.00 O ATOM 403 CB SER A 28 1.928 -3.925 8.664 1.00 0.00 C ATOM 404 OG SER A 28 1.430 -3.767 9.981 1.00 0.00 O ATOM 0 H SER A 28 1.726 -3.829 5.736 1.00 0.00 H new ATOM 0 HA SER A 28 -0.100 -3.638 8.016 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.178 -4.972 8.490 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.849 -3.354 8.549 1.00 0.00 H new ATOM 0 HG SER A 28 2.103 -4.072 10.624 1.00 0.00 H new ATOM 410 N VAL A 29 -0.026 -1.223 7.526 1.00 0.00 N ATOM 411 CA VAL A 29 -0.006 0.219 7.311 1.00 0.00 C ATOM 412 C VAL A 29 0.218 0.967 8.620 1.00 0.00 C ATOM 413 O VAL A 29 -0.441 0.694 9.624 1.00 0.00 O ATOM 414 CB VAL A 29 -1.319 0.709 6.671 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.321 2.225 6.551 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.523 0.058 5.311 1.00 0.00 C ATOM 0 H VAL A 29 -0.935 -1.596 7.801 1.00 0.00 H new ATOM 0 HA VAL A 29 0.821 0.426 6.632 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.148 0.419 7.316 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.256 2.553 6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.224 2.669 7.542 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.485 2.542 5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.455 0.415 4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.691 0.316 4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.569 -1.025 5.429 1.00 0.00 H new ATOM 426 N ARG A 30 1.152 1.912 8.603 1.00 0.00 N ATOM 427 CA ARG A 30 1.464 2.700 9.789 1.00 0.00 C ATOM 428 C ARG A 30 2.166 4.000 9.409 1.00 0.00 C ATOM 429 O ARG A 30 2.916 4.051 8.434 1.00 0.00 O ATOM 430 CB ARG A 30 2.344 1.894 10.746 1.00 0.00 C ATOM 431 CG ARG A 30 2.593 2.587 12.075 1.00 0.00 C ATOM 432 CD ARG A 30 3.583 1.813 12.931 1.00 0.00 C ATOM 433 NE ARG A 30 4.963 2.029 12.502 1.00 0.00 N ATOM 434 CZ ARG A 30 6.020 1.606 13.186 1.00 0.00 C ATOM 435 NH1 ARG A 30 5.856 0.948 14.325 1.00 0.00 N ATOM 436 NH2 ARG A 30 7.244 1.842 12.731 1.00 0.00 N ATOM 0 H ARG A 30 1.706 2.151 7.781 1.00 0.00 H new ATOM 0 HA ARG A 30 0.527 2.946 10.288 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.874 0.928 10.932 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.302 1.695 10.265 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.974 3.593 11.896 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.651 2.694 12.613 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.476 2.115 13.973 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.350 0.749 12.882 1.00 0.00 H new ATOM 0 HE ARG A 30 5.123 2.532 11.629 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.917 0.766 14.678 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.669 0.624 14.849 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.374 2.349 11.855 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.055 1.517 13.257 1.00 0.00 H new ATOM 450 N ASP A 31 1.917 5.049 10.185 1.00 0.00 N ATOM 451 CA ASP A 31 2.525 6.350 9.930 1.00 0.00 C ATOM 452 C ASP A 31 2.275 6.795 8.493 1.00 0.00 C ATOM 453 O ASP A 31 3.160 7.347 7.841 1.00 0.00 O ATOM 454 CB ASP A 31 4.028 6.297 10.207 1.00 0.00 C ATOM 455 CG ASP A 31 4.730 7.590 9.842 1.00 0.00 C ATOM 456 OD1 ASP A 31 4.049 8.635 9.770 1.00 0.00 O ATOM 457 OD2 ASP A 31 5.960 7.558 9.628 1.00 0.00 O ATOM 0 H ASP A 31 1.299 5.024 10.996 1.00 0.00 H new ATOM 0 HA ASP A 31 2.065 7.076 10.601 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.192 6.083 11.263 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.470 5.475 9.643 1.00 0.00 H new ATOM 462 N ASN A 32 1.063 6.549 8.005 1.00 0.00 N ATOM 463 CA ASN A 32 0.698 6.923 6.643 1.00 0.00 C ATOM 464 C ASN A 32 1.615 6.247 5.629 1.00 0.00 C ATOM 465 O ASN A 32 2.065 6.874 4.669 1.00 0.00 O ATOM 466 CB ASN A 32 0.762 8.442 6.474 1.00 0.00 C ATOM 467 CG ASN A 32 -0.314 9.158 7.267 1.00 0.00 C ATOM 468 OD1 ASN A 32 -1.570 8.832 6.987 1.00 0.00 O flip ATOM 469 ND2 ASN A 32 -0.019 9.994 8.121 1.00 0.00 N flip ATOM 0 H ASN A 32 0.318 6.093 8.532 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.323 6.588 6.462 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.742 8.799 6.791 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.658 8.692 5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.960 10.213 8.303 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.754 10.467 8.647 1.00 0.00 H new ATOM 476 N HIS A 33 1.888 4.965 5.847 1.00 0.00 N ATOM 477 CA HIS A 33 2.751 4.203 4.951 1.00 0.00 C ATOM 478 C HIS A 33 2.381 2.723 4.969 1.00 0.00 C ATOM 479 O HIS A 33 1.997 2.180 6.006 1.00 0.00 O ATOM 480 CB HIS A 33 4.217 4.379 5.349 1.00 0.00 C ATOM 481 CG HIS A 33 4.827 5.649 4.839 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.682 6.863 5.476 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.590 5.887 3.747 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.327 7.794 4.797 1.00 0.00 C ATOM 485 NE2 HIS A 33 5.888 7.228 3.743 1.00 0.00 N ATOM 0 H HIS A 33 1.524 4.431 6.637 1.00 0.00 H new ATOM 0 HA HIS A 33 2.609 4.583 3.939 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.295 4.359 6.436 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.791 3.533 4.973 1.00 0.00 H new ATOM 0 HD1 HIS A 33 4.158 7.018 6.337 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.906 5.158 3.015 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.386 8.840 5.059 1.00 0.00 H new ATOM 494 N LEU A 34 2.499 2.075 3.815 1.00 0.00 N ATOM 495 CA LEU A 34 2.176 0.657 3.698 1.00 0.00 C ATOM 496 C LEU A 34 3.443 -0.192 3.710 1.00 0.00 C ATOM 497 O LEU A 34 4.224 -0.176 2.758 1.00 0.00 O ATOM 498 CB LEU A 34 1.388 0.398 2.413 1.00 0.00 C ATOM 499 CG LEU A 34 1.398 -1.041 1.898 1.00 0.00 C ATOM 500 CD1 LEU A 34 1.072 -2.013 3.022 1.00 0.00 C ATOM 501 CD2 LEU A 34 0.413 -1.204 0.749 1.00 0.00 C ATOM 0 H LEU A 34 2.816 2.508 2.948 1.00 0.00 H new ATOM 0 HA LEU A 34 1.564 0.377 4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.353 0.696 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.784 1.045 1.631 1.00 0.00 H new ATOM 0 HG LEU A 34 2.398 -1.266 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.084 -3.032 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.815 -1.916 3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.083 -1.788 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.434 -2.235 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.592 -0.959 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.690 -0.535 -0.066 1.00 0.00 H new ATOM 513 N HIS A 35 3.640 -0.936 4.795 1.00 0.00 N ATOM 514 CA HIS A 35 4.811 -1.795 4.930 1.00 0.00 C ATOM 515 C HIS A 35 4.500 -3.214 4.466 1.00 0.00 C ATOM 516 O HIS A 35 3.339 -3.620 4.411 1.00 0.00 O ATOM 517 CB HIS A 35 5.290 -1.814 6.382 1.00 0.00 C ATOM 518 CG HIS A 35 5.875 -0.513 6.837 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.232 -0.270 6.876 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.279 0.622 7.273 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.446 0.956 7.317 1.00 0.00 C ATOM 522 NE2 HIS A 35 6.277 1.519 7.565 1.00 0.00 N ATOM 0 H HIS A 35 3.004 -0.961 5.592 1.00 0.00 H new ATOM 0 HA HIS A 35 5.603 -1.391 4.299 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.452 -2.072 7.029 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.037 -2.599 6.499 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.217 0.790 7.373 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.412 1.420 7.452 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.138 2.466 7.916 1.00 0.00 H new ATOM 531 N PHE A 36 5.545 -3.964 4.132 1.00 0.00 N ATOM 532 CA PHE A 36 5.383 -5.338 3.670 1.00 0.00 C ATOM 533 C PHE A 36 6.351 -6.272 4.391 1.00 0.00 C ATOM 534 O PHE A 36 7.566 -6.077 4.349 1.00 0.00 O ATOM 535 CB PHE A 36 5.608 -5.421 2.159 1.00 0.00 C ATOM 536 CG PHE A 36 4.690 -4.534 1.367 1.00 0.00 C ATOM 537 CD1 PHE A 36 5.026 -3.214 1.116 1.00 0.00 C ATOM 538 CD2 PHE A 36 3.489 -5.021 0.875 1.00 0.00 C ATOM 539 CE1 PHE A 36 4.184 -2.395 0.387 1.00 0.00 C ATOM 540 CE2 PHE A 36 2.643 -4.207 0.145 1.00 0.00 C ATOM 541 CZ PHE A 36 2.990 -2.893 -0.098 1.00 0.00 C ATOM 0 H PHE A 36 6.513 -3.644 4.173 1.00 0.00 H new ATOM 0 HA PHE A 36 4.364 -5.653 3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.641 -5.151 1.938 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.472 -6.453 1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.957 -2.820 1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.211 -6.047 1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.459 -1.368 0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.711 -4.599 -0.235 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.329 -2.255 -0.666 1.00 0.00 H new ATOM 551 N TYR A 37 5.804 -7.285 5.052 1.00 0.00 N ATOM 552 CA TYR A 37 6.617 -8.248 5.786 1.00 0.00 C ATOM 553 C TYR A 37 6.314 -9.673 5.334 1.00 0.00 C ATOM 554 O TYR A 37 5.301 -9.927 4.682 1.00 0.00 O ATOM 555 CB TYR A 37 6.372 -8.114 7.289 1.00 0.00 C ATOM 556 CG TYR A 37 6.525 -6.701 7.805 1.00 0.00 C ATOM 557 CD1 TYR A 37 5.493 -5.779 7.681 1.00 0.00 C ATOM 558 CD2 TYR A 37 7.703 -6.288 8.416 1.00 0.00 C ATOM 559 CE1 TYR A 37 5.630 -4.487 8.150 1.00 0.00 C ATOM 560 CE2 TYR A 37 7.848 -4.998 8.889 1.00 0.00 C ATOM 561 CZ TYR A 37 6.809 -4.101 8.753 1.00 0.00 C ATOM 562 OH TYR A 37 6.948 -2.815 9.222 1.00 0.00 O ATOM 0 H TYR A 37 4.800 -7.461 5.095 1.00 0.00 H new ATOM 0 HA TYR A 37 7.665 -8.035 5.576 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.367 -8.468 7.518 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.067 -8.763 7.821 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.568 -6.078 7.210 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.519 -6.987 8.523 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.818 -3.783 8.045 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.770 -4.694 9.363 1.00 0.00 H new ATOM 0 HH TYR A 37 7.837 -2.706 9.619 1.00 0.00 H new ATOM 572 N GLN A 38 7.199 -10.600 5.687 1.00 0.00 N ATOM 573 CA GLN A 38 7.026 -12.000 5.319 1.00 0.00 C ATOM 574 C GLN A 38 6.790 -12.863 6.554 1.00 0.00 C ATOM 575 O GLN A 38 5.722 -13.453 6.716 1.00 0.00 O ATOM 576 CB GLN A 38 8.254 -12.504 4.558 1.00 0.00 C ATOM 577 CG GLN A 38 8.576 -11.689 3.316 1.00 0.00 C ATOM 578 CD GLN A 38 9.635 -12.341 2.449 1.00 0.00 C ATOM 579 OE1 GLN A 38 10.301 -13.288 2.869 1.00 0.00 O ATOM 580 NE2 GLN A 38 9.796 -11.837 1.231 1.00 0.00 N ATOM 0 H GLN A 38 8.042 -10.407 6.227 1.00 0.00 H new ATOM 0 HA GLN A 38 6.151 -12.074 4.674 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.116 -12.490 5.225 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.091 -13.542 4.269 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.667 -11.551 2.731 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.916 -10.697 3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.222 -11.052 0.924 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.494 -12.235 0.602 1.00 0.00 H new ATOM 712 N ALA A 46 9.957 -7.930 3.912 1.00 0.00 N ATOM 713 CA ALA A 46 9.945 -8.331 2.511 1.00 0.00 C ATOM 714 C ALA A 46 10.610 -7.276 1.633 1.00 0.00 C ATOM 715 O ALA A 46 11.523 -7.581 0.866 1.00 0.00 O ATOM 716 CB ALA A 46 8.519 -8.584 2.046 1.00 0.00 C ATOM 0 HA ALA A 46 10.515 -9.256 2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.526 -8.883 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.076 -9.378 2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.932 -7.673 2.160 1.00 0.00 H new ATOM 722 N GLN A 47 10.146 -6.037 1.750 1.00 0.00 N ATOM 723 CA GLN A 47 10.697 -4.938 0.965 1.00 0.00 C ATOM 724 C GLN A 47 10.368 -3.593 1.605 1.00 0.00 C ATOM 725 O GLN A 47 9.616 -3.526 2.578 1.00 0.00 O ATOM 726 CB GLN A 47 10.153 -4.982 -0.464 1.00 0.00 C ATOM 727 CG GLN A 47 8.636 -4.919 -0.540 1.00 0.00 C ATOM 728 CD GLN A 47 8.128 -4.813 -1.964 1.00 0.00 C ATOM 729 OE1 GLN A 47 8.826 -4.317 -2.850 1.00 0.00 O ATOM 730 NE2 GLN A 47 6.905 -5.279 -2.193 1.00 0.00 N ATOM 0 H GLN A 47 9.390 -5.768 2.380 1.00 0.00 H new ATOM 0 HA GLN A 47 11.781 -5.052 0.938 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.572 -4.149 -1.029 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.495 -5.898 -0.946 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.215 -5.810 -0.073 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.282 -4.062 0.033 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.362 -5.682 -1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.510 -5.234 -3.132 1.00 0.00 H new ATOM 739 N GLN A 48 10.935 -2.526 1.053 1.00 0.00 N ATOM 740 CA GLN A 48 10.702 -1.183 1.572 1.00 0.00 C ATOM 741 C GLN A 48 9.211 -0.867 1.615 1.00 0.00 C ATOM 742 O GLN A 48 8.411 -1.426 0.864 1.00 0.00 O ATOM 743 CB GLN A 48 11.430 -0.148 0.712 1.00 0.00 C ATOM 744 CG GLN A 48 12.865 0.103 1.147 1.00 0.00 C ATOM 745 CD GLN A 48 13.728 0.647 0.025 1.00 0.00 C ATOM 746 OE1 GLN A 48 13.343 0.610 -1.144 1.00 0.00 O ATOM 747 NE2 GLN A 48 14.902 1.159 0.376 1.00 0.00 N ATOM 0 H GLN A 48 11.559 -2.565 0.247 1.00 0.00 H new ATOM 0 HA GLN A 48 11.093 -1.141 2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.427 -0.483 -0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.879 0.792 0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.871 0.807 1.979 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.297 -0.828 1.514 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.181 1.169 1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.525 1.542 -0.335 1.00 0.00 H new ATOM 756 N PRO A 49 8.825 0.049 2.516 1.00 0.00 N ATOM 757 CA PRO A 49 7.428 0.460 2.678 1.00 0.00 C ATOM 758 C PRO A 49 6.920 1.270 1.491 1.00 0.00 C ATOM 759 O PRO A 49 7.677 1.587 0.573 1.00 0.00 O ATOM 760 CB PRO A 49 7.456 1.323 3.942 1.00 0.00 C ATOM 761 CG PRO A 49 8.853 1.837 4.018 1.00 0.00 C ATOM 762 CD PRO A 49 9.724 0.755 3.444 1.00 0.00 C ATOM 0 HA PRO A 49 6.757 -0.396 2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.736 2.139 3.880 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.200 0.739 4.826 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.959 2.764 3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.132 2.057 5.048 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.590 1.168 2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.103 0.090 4.220 1.00 0.00 H new ATOM 770 N LEU A 50 5.634 1.604 1.515 1.00 0.00 N ATOM 771 CA LEU A 50 5.025 2.379 0.440 1.00 0.00 C ATOM 772 C LEU A 50 4.429 3.678 0.975 1.00 0.00 C ATOM 773 O LEU A 50 3.802 3.695 2.035 1.00 0.00 O ATOM 774 CB LEU A 50 3.940 1.556 -0.257 1.00 0.00 C ATOM 775 CG LEU A 50 4.395 0.725 -1.457 1.00 0.00 C ATOM 776 CD1 LEU A 50 3.231 -0.072 -2.026 1.00 0.00 C ATOM 777 CD2 LEU A 50 5.004 1.621 -2.526 1.00 0.00 C ATOM 0 H LEU A 50 4.993 1.350 2.267 1.00 0.00 H new ATOM 0 HA LEU A 50 5.803 2.628 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.494 0.884 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.154 2.234 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 50 5.159 0.024 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.573 -0.657 -2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.840 -0.742 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.445 0.611 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.322 1.013 -3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.262 2.346 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.865 2.147 -2.113 1.00 0.00 H new ATOM 789 N SER A 51 4.628 4.763 0.234 1.00 0.00 N ATOM 790 CA SER A 51 4.112 6.067 0.635 1.00 0.00 C ATOM 791 C SER A 51 2.707 6.288 0.083 1.00 0.00 C ATOM 792 O SER A 51 2.533 6.853 -0.998 1.00 0.00 O ATOM 793 CB SER A 51 5.043 7.179 0.149 1.00 0.00 C ATOM 794 OG SER A 51 5.185 7.146 -1.260 1.00 0.00 O ATOM 0 H SER A 51 5.142 4.765 -0.647 1.00 0.00 H new ATOM 0 HA SER A 51 4.065 6.092 1.724 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.648 8.148 0.455 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.021 7.070 0.619 1.00 0.00 H new ATOM 0 HG SER A 51 4.305 7.030 -1.675 1.00 0.00 H new ATOM 800 N LEU A 52 1.706 5.839 0.832 1.00 0.00 N ATOM 801 CA LEU A 52 0.315 5.986 0.419 1.00 0.00 C ATOM 802 C LEU A 52 -0.035 7.455 0.201 1.00 0.00 C ATOM 803 O LEU A 52 -0.645 7.816 -0.806 1.00 0.00 O ATOM 804 CB LEU A 52 -0.617 5.379 1.470 1.00 0.00 C ATOM 805 CG LEU A 52 -0.381 3.906 1.804 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.260 3.475 2.968 1.00 0.00 C ATOM 807 CD2 LEU A 52 -0.643 3.034 0.585 1.00 0.00 C ATOM 0 H LEU A 52 1.832 5.370 1.729 1.00 0.00 H new ATOM 0 HA LEU A 52 0.184 5.455 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.523 5.959 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.645 5.493 1.125 1.00 0.00 H new ATOM 0 HG LEU A 52 0.662 3.783 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.078 2.424 3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.024 4.078 3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.308 3.614 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.470 1.989 0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.676 3.162 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.029 3.326 -0.222 1.00 0.00 H new ATOM 819 N VAL A 53 0.356 8.299 1.151 1.00 0.00 N ATOM 820 CA VAL A 53 0.087 9.729 1.061 1.00 0.00 C ATOM 821 C VAL A 53 0.301 10.240 -0.359 1.00 0.00 C ATOM 822 O VAL A 53 1.434 10.458 -0.788 1.00 0.00 O ATOM 823 CB VAL A 53 0.983 10.530 2.024 1.00 0.00 C ATOM 824 CG1 VAL A 53 0.665 12.015 1.937 1.00 0.00 C ATOM 825 CG2 VAL A 53 0.818 10.024 3.449 1.00 0.00 C ATOM 0 H VAL A 53 0.860 8.017 1.992 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.956 9.873 1.342 1.00 0.00 H new ATOM 0 HB VAL A 53 2.023 10.387 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.308 12.566 2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.838 12.365 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.379 12.180 2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.458 10.601 4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.222 10.136 3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.099 8.972 3.496 1.00 0.00 H new ATOM 835 N GLY A 54 -0.796 10.432 -1.086 1.00 0.00 N ATOM 836 CA GLY A 54 -0.706 10.917 -2.451 1.00 0.00 C ATOM 837 C GLY A 54 -1.349 9.971 -3.446 1.00 0.00 C ATOM 838 O GLY A 54 -2.039 10.405 -4.369 1.00 0.00 O ATOM 0 H GLY A 54 -1.745 10.260 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.187 11.893 -2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.342 11.059 -2.714 1.00 0.00 H new ATOM 842 N CYS A 55 -1.121 8.675 -3.260 1.00 0.00 N ATOM 843 CA CYS A 55 -1.681 7.665 -4.150 1.00 0.00 C ATOM 844 C CYS A 55 -3.195 7.575 -3.987 1.00 0.00 C ATOM 845 O CYS A 55 -3.795 8.351 -3.244 1.00 0.00 O ATOM 846 CB CYS A 55 -1.044 6.302 -3.874 1.00 0.00 C ATOM 847 SG CYS A 55 0.748 6.358 -3.640 1.00 0.00 S ATOM 0 H CYS A 55 -0.552 8.300 -2.501 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.462 7.959 -5.176 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.503 5.872 -2.983 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.270 5.632 -4.704 1.00 0.00 H new ATOM 0 HG CYS A 55 1.015 6.590 -2.389 1.00 0.00 H new ATOM 853 N GLU A 56 -3.805 6.624 -4.688 1.00 0.00 N ATOM 854 CA GLU A 56 -5.249 6.435 -4.621 1.00 0.00 C ATOM 855 C GLU A 56 -5.611 4.958 -4.746 1.00 0.00 C ATOM 856 O GLU A 56 -5.171 4.275 -5.671 1.00 0.00 O ATOM 857 CB GLU A 56 -5.942 7.236 -5.726 1.00 0.00 C ATOM 858 CG GLU A 56 -7.455 7.105 -5.716 1.00 0.00 C ATOM 859 CD GLU A 56 -8.137 8.144 -6.585 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.691 8.342 -7.734 1.00 0.00 O ATOM 861 OE2 GLU A 56 -9.117 8.759 -6.115 1.00 0.00 O ATOM 0 H GLU A 56 -3.322 5.974 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.592 6.795 -3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.676 8.288 -5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.564 6.906 -6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.732 6.109 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.817 7.199 -4.692 1.00 0.00 H new ATOM 868 N VAL A 57 -6.416 4.471 -3.806 1.00 0.00 N ATOM 869 CA VAL A 57 -6.838 3.075 -3.810 1.00 0.00 C ATOM 870 C VAL A 57 -8.180 2.909 -4.513 1.00 0.00 C ATOM 871 O VAL A 57 -9.176 3.522 -4.128 1.00 0.00 O ATOM 872 CB VAL A 57 -6.949 2.519 -2.378 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.310 1.042 -2.405 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.652 2.745 -1.617 1.00 0.00 C ATOM 0 H VAL A 57 -6.788 5.022 -3.033 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.076 2.515 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.745 3.054 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.384 0.667 -1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.267 0.910 -2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.538 0.489 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.748 2.346 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.835 2.238 -2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.441 3.813 -1.566 1.00 0.00 H new ATOM 884 N VAL A 58 -8.200 2.075 -5.548 1.00 0.00 N ATOM 885 CA VAL A 58 -9.421 1.826 -6.306 1.00 0.00 C ATOM 886 C VAL A 58 -9.762 0.340 -6.325 1.00 0.00 C ATOM 887 O VAL A 58 -8.897 -0.519 -6.497 1.00 0.00 O ATOM 888 CB VAL A 58 -9.295 2.331 -7.755 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.661 3.805 -7.841 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.888 2.092 -8.282 1.00 0.00 C ATOM 0 H VAL A 58 -7.385 1.560 -5.881 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.221 2.373 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.992 1.771 -8.378 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.566 4.144 -8.873 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.689 3.945 -7.506 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.991 4.384 -7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.817 2.455 -9.307 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.170 2.625 -7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.667 1.025 -8.259 1.00 0.00 H new ATOM 900 N PRO A 59 -11.054 0.028 -6.144 1.00 0.00 N ATOM 901 CA PRO A 59 -11.541 -1.355 -6.138 1.00 0.00 C ATOM 902 C PRO A 59 -11.477 -1.999 -7.519 1.00 0.00 C ATOM 903 O PRO A 59 -12.424 -1.911 -8.300 1.00 0.00 O ATOM 904 CB PRO A 59 -12.995 -1.217 -5.679 1.00 0.00 C ATOM 905 CG PRO A 59 -13.384 0.167 -6.066 1.00 0.00 C ATOM 906 CD PRO A 59 -12.140 1.000 -5.933 1.00 0.00 C ATOM 0 HA PRO A 59 -10.936 -1.997 -5.497 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.634 -1.957 -6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.087 -1.368 -4.603 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.764 0.194 -7.087 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.177 0.544 -5.420 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.112 1.801 -6.672 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.074 1.470 -4.952 1.00 0.00 H new ATOM 914 N ASP A 60 -10.354 -2.646 -7.813 1.00 0.00 N ATOM 915 CA ASP A 60 -10.167 -3.306 -9.100 1.00 0.00 C ATOM 916 C ASP A 60 -10.250 -4.822 -8.950 1.00 0.00 C ATOM 917 O ASP A 60 -9.241 -5.528 -8.962 1.00 0.00 O ATOM 918 CB ASP A 60 -8.820 -2.914 -9.707 1.00 0.00 C ATOM 919 CG ASP A 60 -8.765 -3.158 -11.202 1.00 0.00 C ATOM 920 OD1 ASP A 60 -9.801 -2.965 -11.874 1.00 0.00 O ATOM 921 OD2 ASP A 60 -7.687 -3.542 -11.702 1.00 0.00 O ATOM 0 H ASP A 60 -9.560 -2.727 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.965 -2.981 -9.767 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.628 -1.860 -9.507 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.027 -3.481 -9.220 1.00 0.00 H new ATOM 926 N PRO A 61 -11.480 -5.336 -8.803 1.00 0.00 N ATOM 927 CA PRO A 61 -11.724 -6.773 -8.647 1.00 0.00 C ATOM 928 C PRO A 61 -11.446 -7.551 -9.929 1.00 0.00 C ATOM 929 O PRO A 61 -11.422 -6.980 -11.020 1.00 0.00 O ATOM 930 CB PRO A 61 -13.212 -6.844 -8.292 1.00 0.00 C ATOM 931 CG PRO A 61 -13.800 -5.605 -8.873 1.00 0.00 C ATOM 932 CD PRO A 61 -12.728 -4.554 -8.779 1.00 0.00 C ATOM 0 HA PRO A 61 -11.070 -7.218 -7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.677 -7.737 -8.711 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.360 -6.884 -7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.101 -5.764 -9.909 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.692 -5.302 -8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.779 -3.853 -9.612 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.818 -3.969 -7.864 1.00 0.00 H new ATOM 940 N SER A 62 -11.235 -8.856 -9.790 1.00 0.00 N ATOM 941 CA SER A 62 -10.955 -9.711 -10.937 1.00 0.00 C ATOM 942 C SER A 62 -12.049 -10.759 -11.114 1.00 0.00 C ATOM 943 O SER A 62 -12.888 -10.972 -10.238 1.00 0.00 O ATOM 944 CB SER A 62 -9.598 -10.398 -10.769 1.00 0.00 C ATOM 945 OG SER A 62 -8.592 -9.727 -11.508 1.00 0.00 O ATOM 0 H SER A 62 -11.253 -9.344 -8.894 1.00 0.00 H new ATOM 0 HA SER A 62 -10.929 -9.084 -11.828 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.326 -10.419 -9.714 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.668 -11.434 -11.101 1.00 0.00 H new ATOM 0 HG SER A 62 -7.734 -10.184 -11.383 1.00 0.00 H new ATOM 951 N PRO A 63 -12.042 -11.431 -12.275 1.00 0.00 N ATOM 952 CA PRO A 63 -13.027 -12.469 -12.595 1.00 0.00 C ATOM 953 C PRO A 63 -12.838 -13.726 -11.753 1.00 0.00 C ATOM 954 O PRO A 63 -13.548 -14.716 -11.931 1.00 0.00 O ATOM 955 CB PRO A 63 -12.759 -12.769 -14.071 1.00 0.00 C ATOM 956 CG PRO A 63 -11.333 -12.392 -14.282 1.00 0.00 C ATOM 957 CD PRO A 63 -11.072 -11.230 -13.364 1.00 0.00 C ATOM 0 HA PRO A 63 -14.046 -12.141 -12.391 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.928 -13.822 -14.298 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.421 -12.193 -14.718 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.671 -13.227 -14.053 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.152 -12.117 -15.321 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.047 -11.232 -12.994 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.227 -10.276 -13.869 1.00 0.00 H new ATOM 965 N ASP A 64 -11.878 -13.680 -10.836 1.00 0.00 N ATOM 966 CA ASP A 64 -11.597 -14.816 -9.965 1.00 0.00 C ATOM 967 C ASP A 64 -11.526 -14.377 -8.506 1.00 0.00 C ATOM 968 O ASP A 64 -11.797 -15.162 -7.597 1.00 0.00 O ATOM 969 CB ASP A 64 -10.285 -15.487 -10.374 1.00 0.00 C ATOM 970 CG ASP A 64 -10.299 -15.957 -11.815 1.00 0.00 C ATOM 971 OD1 ASP A 64 -10.459 -15.106 -12.716 1.00 0.00 O ATOM 972 OD2 ASP A 64 -10.150 -17.176 -12.043 1.00 0.00 O ATOM 0 H ASP A 64 -11.281 -12.868 -10.676 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.411 -15.534 -10.070 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.462 -14.786 -10.232 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.096 -16.338 -9.719 1.00 0.00 H new ATOM 977 N HIS A 65 -11.157 -13.119 -8.289 1.00 0.00 N ATOM 978 CA HIS A 65 -11.049 -12.575 -6.940 1.00 0.00 C ATOM 979 C HIS A 65 -11.692 -11.194 -6.858 1.00 0.00 C ATOM 980 O HIS A 65 -11.013 -10.173 -6.979 1.00 0.00 O ATOM 981 CB HIS A 65 -9.583 -12.494 -6.516 1.00 0.00 C ATOM 982 CG HIS A 65 -8.875 -13.814 -6.552 1.00 0.00 C ATOM 983 ND1 HIS A 65 -7.627 -13.983 -7.114 1.00 0.00 N ATOM 984 CD2 HIS A 65 -9.247 -15.031 -6.091 1.00 0.00 C ATOM 985 CE1 HIS A 65 -7.262 -15.248 -6.998 1.00 0.00 C ATOM 986 NE2 HIS A 65 -8.228 -15.905 -6.381 1.00 0.00 N ATOM 0 H HIS A 65 -10.928 -12.457 -9.030 1.00 0.00 H new ATOM 0 HA HIS A 65 -11.579 -13.244 -6.262 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.062 -11.794 -7.169 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.527 -12.089 -5.506 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.173 -15.270 -5.589 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.333 -15.672 -7.348 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -8.219 -16.900 -6.156 1.00 0.00 H new ATOM 995 N LEU A 66 -13.004 -11.169 -6.651 1.00 0.00 N ATOM 996 CA LEU A 66 -13.739 -9.912 -6.553 1.00 0.00 C ATOM 997 C LEU A 66 -13.202 -9.055 -5.412 1.00 0.00 C ATOM 998 O LEU A 66 -13.558 -7.883 -5.281 1.00 0.00 O ATOM 999 CB LEU A 66 -15.229 -10.185 -6.343 1.00 0.00 C ATOM 1000 CG LEU A 66 -15.907 -11.057 -7.401 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.261 -11.542 -6.905 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.059 -10.291 -8.707 1.00 0.00 C ATOM 0 H LEU A 66 -13.581 -12.004 -6.548 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.604 -9.367 -7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.357 -10.662 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.751 -9.229 -6.300 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.277 -11.927 -7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.729 -12.161 -7.671 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.127 -12.129 -5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -17.899 -10.684 -6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.543 -10.927 -9.448 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.667 -9.402 -8.539 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.076 -9.994 -9.071 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.341 -9.645 -4.590 1.00 0.00 N ATOM 1015 CA TYR A 67 -11.754 -8.935 -3.459 1.00 0.00 C ATOM 1016 C TYR A 67 -10.301 -8.569 -3.741 1.00 0.00 C ATOM 1017 O TYR A 67 -9.392 -8.990 -3.025 1.00 0.00 O ATOM 1018 CB TYR A 67 -11.840 -9.790 -2.194 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.054 -10.690 -2.152 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.314 -10.207 -2.484 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -12.941 -12.025 -1.782 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.426 -11.026 -2.447 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.047 -12.852 -1.744 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.287 -12.348 -2.076 1.00 0.00 C ATOM 1025 OH TYR A 67 -16.392 -13.167 -2.039 1.00 0.00 O ATOM 0 H TYR A 67 -12.034 -10.613 -4.686 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.318 -8.015 -3.307 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -10.942 -10.402 -2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.854 -9.135 -1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.426 -9.173 -2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.972 -12.423 -1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.398 -10.634 -2.707 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.941 -13.887 -1.456 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.123 -14.067 -1.759 1.00 0.00 H new ATOM 1035 N SER A 68 -10.089 -7.780 -4.790 1.00 0.00 N ATOM 1036 CA SER A 68 -8.746 -7.358 -5.170 1.00 0.00 C ATOM 1037 C SER A 68 -8.723 -5.875 -5.528 1.00 0.00 C ATOM 1038 O SER A 68 -9.344 -5.449 -6.502 1.00 0.00 O ATOM 1039 CB SER A 68 -8.244 -8.187 -6.354 1.00 0.00 C ATOM 1040 OG SER A 68 -9.183 -8.181 -7.415 1.00 0.00 O ATOM 0 H SER A 68 -10.830 -7.420 -5.392 1.00 0.00 H new ATOM 0 HA SER A 68 -8.087 -7.519 -4.317 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.292 -7.787 -6.704 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.060 -9.212 -6.032 1.00 0.00 H new ATOM 0 HG SER A 68 -9.852 -8.880 -7.263 1.00 0.00 H new ATOM 1046 N PHE A 69 -8.003 -5.091 -4.731 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.899 -3.655 -4.962 1.00 0.00 C ATOM 1048 C PHE A 69 -6.474 -3.267 -5.344 1.00 0.00 C ATOM 1049 O PHE A 69 -5.520 -3.978 -5.026 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.333 -2.884 -3.713 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.777 -3.449 -2.437 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.323 -4.591 -1.873 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.707 -2.839 -1.802 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -7.814 -5.111 -0.698 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.193 -3.355 -0.627 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.747 -4.494 -0.076 1.00 0.00 C ATOM 0 H PHE A 69 -7.483 -5.426 -3.920 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.560 -3.396 -5.789 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.017 -1.845 -3.809 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.422 -2.883 -3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.155 -5.080 -2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.269 -1.949 -2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.251 -6.000 -0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.360 -2.869 -0.141 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.346 -4.901 0.840 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.338 -2.135 -6.027 1.00 0.00 N ATOM 1067 CA ARG A 70 -5.030 -1.653 -6.454 1.00 0.00 C ATOM 1068 C ARG A 70 -4.868 -0.170 -6.137 1.00 0.00 C ATOM 1069 O ARG A 70 -5.848 0.533 -5.891 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.841 -1.889 -7.954 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.972 -1.333 -8.805 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.568 -1.227 -10.267 1.00 0.00 C ATOM 1073 NE ARG A 70 -6.275 -0.150 -10.954 1.00 0.00 N ATOM 1074 CZ ARG A 70 -6.452 -0.108 -12.269 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -5.976 -1.079 -13.037 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -7.107 0.906 -12.820 1.00 0.00 N ATOM 0 H ARG A 70 -7.117 -1.535 -6.296 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.269 -2.209 -5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.902 -1.433 -8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.753 -2.960 -8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.847 -1.976 -8.714 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.259 -0.349 -8.433 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.494 -1.056 -10.335 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.772 -2.173 -10.769 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.654 0.612 -10.392 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.472 -1.861 -12.618 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.114 -1.044 -14.047 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.475 1.655 -12.233 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.242 0.937 -13.831 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.624 0.299 -6.145 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.334 1.698 -5.858 1.00 0.00 C ATOM 1092 C ILE A 71 -2.783 2.409 -7.090 1.00 0.00 C ATOM 1093 O ILE A 71 -2.123 1.796 -7.930 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.325 1.839 -4.704 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.616 0.805 -3.614 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.369 3.248 -4.130 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.608 0.817 -2.486 1.00 0.00 C ATOM 0 H ILE A 71 -2.802 -0.270 -6.347 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.276 2.161 -5.564 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.323 1.657 -5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.609 0.990 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.636 -0.188 -4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.650 3.332 -3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.118 3.967 -4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.370 3.456 -3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.877 0.059 -1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.616 0.602 -2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.604 1.798 -2.012 1.00 0.00 H new ATOM 1109 N LEU A 72 -3.056 3.705 -7.190 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.586 4.500 -8.319 1.00 0.00 C ATOM 1111 C LEU A 72 -2.167 5.895 -7.865 1.00 0.00 C ATOM 1112 O LEU A 72 -2.831 6.514 -7.032 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.678 4.605 -9.385 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.446 3.318 -9.688 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.882 3.633 -10.079 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.752 2.531 -10.790 1.00 0.00 C ATOM 0 H LEU A 72 -3.600 4.228 -6.503 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.717 4.000 -8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.393 5.365 -9.071 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.222 4.959 -10.310 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.463 2.706 -8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.413 2.705 -10.291 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.376 4.155 -9.259 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.887 4.265 -10.967 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.312 1.618 -10.993 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.705 3.137 -11.695 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.742 2.274 -10.472 1.00 0.00 H new ATOM 1128 N HIS A 73 -1.062 6.385 -8.419 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.556 7.709 -8.073 1.00 0.00 C ATOM 1130 C HIS A 73 -1.060 8.758 -9.059 1.00 0.00 C ATOM 1131 O HIS A 73 -1.902 9.591 -8.720 1.00 0.00 O ATOM 1132 CB HIS A 73 0.973 7.704 -8.052 1.00 0.00 C ATOM 1133 CG HIS A 73 1.568 8.964 -7.505 1.00 0.00 C ATOM 1134 ND1 HIS A 73 1.027 9.938 -6.737 1.00 0.00 N flip ATOM 1135 CD2 HIS A 73 2.875 9.340 -7.733 1.00 0.00 C flip ATOM 1136 CE1 HIS A 73 2.007 10.875 -6.516 1.00 0.00 C flip ATOM 1137 NE2 HIS A 73 3.113 10.490 -7.128 1.00 0.00 N flip ATOM 0 H HIS A 73 -0.500 5.886 -9.109 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.925 7.964 -7.079 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.317 6.860 -7.454 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.342 7.548 -9.066 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.592 8.781 -8.316 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.892 11.779 -5.936 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.999 10.995 -7.133 1.00 0.00 H new ATOM 1146 N LYS A 74 -0.539 8.713 -10.281 1.00 0.00 N ATOM 1147 CA LYS A 74 -0.936 9.659 -11.317 1.00 0.00 C ATOM 1148 C LYS A 74 -1.424 8.927 -12.563 1.00 0.00 C ATOM 1149 O LYS A 74 -1.135 9.335 -13.688 1.00 0.00 O ATOM 1150 CB LYS A 74 0.237 10.574 -11.677 1.00 0.00 C ATOM 1151 CG LYS A 74 1.110 10.939 -10.489 1.00 0.00 C ATOM 1152 CD LYS A 74 1.729 12.317 -10.654 1.00 0.00 C ATOM 1153 CE LYS A 74 2.748 12.604 -9.562 1.00 0.00 C ATOM 1154 NZ LYS A 74 2.915 14.066 -9.330 1.00 0.00 N ATOM 0 H LYS A 74 0.159 8.031 -10.578 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.755 10.264 -10.928 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.852 10.083 -12.432 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.151 11.488 -12.127 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.514 10.914 -9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.899 10.196 -10.374 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.210 12.387 -11.630 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.945 13.074 -10.630 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.433 12.123 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.708 12.168 -9.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.618 14.220 -8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.240 14.522 -10.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.004 14.478 -9.042 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.168 7.845 -12.356 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.686 7.075 -13.472 1.00 0.00 C ATOM 1170 C GLY A 75 -1.929 5.779 -13.682 1.00 0.00 C ATOM 1171 O GLY A 75 -2.249 5.006 -14.585 1.00 0.00 O ATOM 0 H GLY A 75 -2.421 7.488 -11.435 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.739 6.853 -13.299 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.632 7.675 -14.380 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.922 5.541 -12.848 1.00 0.00 N ATOM 1176 CA GLU A 76 -0.116 4.330 -12.949 1.00 0.00 C ATOM 1177 C GLU A 76 -0.408 3.384 -11.788 1.00 0.00 C ATOM 1178 O GLU A 76 -1.064 3.760 -10.817 1.00 0.00 O ATOM 1179 CB GLU A 76 1.372 4.681 -12.974 1.00 0.00 C ATOM 1180 CG GLU A 76 1.957 4.756 -14.375 1.00 0.00 C ATOM 1181 CD GLU A 76 1.966 3.411 -15.075 1.00 0.00 C ATOM 1182 OE1 GLU A 76 2.731 2.522 -14.646 1.00 0.00 O ATOM 1183 OE2 GLU A 76 1.207 3.247 -16.053 1.00 0.00 O ATOM 0 H GLU A 76 -0.645 6.171 -12.095 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.378 3.827 -13.880 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.519 5.640 -12.476 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.922 3.936 -12.399 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.381 5.466 -14.968 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.976 5.140 -14.319 1.00 0.00 H new ATOM 1190 N GLU A 77 0.086 2.154 -11.896 1.00 0.00 N ATOM 1191 CA GLU A 77 -0.123 1.154 -10.856 1.00 0.00 C ATOM 1192 C GLU A 77 1.098 1.052 -9.946 1.00 0.00 C ATOM 1193 O GLU A 77 2.194 0.714 -10.395 1.00 0.00 O ATOM 1194 CB GLU A 77 -0.422 -0.211 -11.481 1.00 0.00 C ATOM 1195 CG GLU A 77 -0.814 -1.272 -10.467 1.00 0.00 C ATOM 1196 CD GLU A 77 -1.123 -2.609 -11.113 1.00 0.00 C ATOM 1197 OE1 GLU A 77 -2.297 -2.837 -11.471 1.00 0.00 O ATOM 1198 OE2 GLU A 77 -0.191 -3.427 -11.259 1.00 0.00 O ATOM 0 H GLU A 77 0.633 1.827 -12.692 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.978 1.465 -10.256 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.227 -0.100 -12.208 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.457 -0.551 -12.028 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.005 -1.398 -9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.686 -0.932 -9.909 1.00 0.00 H new ATOM 1205 N LEU A 78 0.901 1.348 -8.666 1.00 0.00 N ATOM 1206 CA LEU A 78 1.986 1.290 -7.692 1.00 0.00 C ATOM 1207 C LEU A 78 2.007 -0.058 -6.979 1.00 0.00 C ATOM 1208 O LEU A 78 3.050 -0.703 -6.882 1.00 0.00 O ATOM 1209 CB LEU A 78 1.839 2.418 -6.669 1.00 0.00 C ATOM 1210 CG LEU A 78 1.920 3.841 -7.223 1.00 0.00 C ATOM 1211 CD1 LEU A 78 1.664 4.858 -6.121 1.00 0.00 C ATOM 1212 CD2 LEU A 78 3.276 4.084 -7.871 1.00 0.00 C ATOM 0 H LEU A 78 0.001 1.630 -8.278 1.00 0.00 H new ATOM 0 HA LEU A 78 2.928 1.412 -8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.881 2.300 -6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.615 2.299 -5.913 1.00 0.00 H new ATOM 0 HG LEU A 78 1.149 3.959 -7.984 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.726 5.865 -6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.671 4.698 -5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.412 4.741 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.316 5.101 -8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.063 3.947 -7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.421 3.377 -8.688 1.00 0.00 H new ATOM 1224 N ALA A 79 0.847 -0.479 -6.485 1.00 0.00 N ATOM 1225 CA ALA A 79 0.732 -1.752 -5.785 1.00 0.00 C ATOM 1226 C ALA A 79 -0.627 -2.396 -6.037 1.00 0.00 C ATOM 1227 O ALA A 79 -1.548 -1.751 -6.538 1.00 0.00 O ATOM 1228 CB ALA A 79 0.957 -1.557 -4.293 1.00 0.00 C ATOM 0 H ALA A 79 -0.026 0.043 -6.557 1.00 0.00 H new ATOM 0 HA ALA A 79 1.500 -2.422 -6.172 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.868 -2.516 -3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.953 -1.148 -4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.211 -0.867 -3.900 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.746 -3.672 -5.687 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.993 -4.404 -5.875 1.00 0.00 C ATOM 1236 C LYS A 80 -2.192 -5.433 -4.766 1.00 0.00 C ATOM 1237 O LYS A 80 -1.513 -6.460 -4.730 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.001 -5.100 -7.238 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.314 -5.791 -7.561 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.579 -5.814 -9.057 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.586 -6.891 -9.428 1.00 0.00 C ATOM 1242 NZ LYS A 80 -5.947 -6.580 -8.910 1.00 0.00 N ATOM 0 H LYS A 80 0.006 -4.221 -5.271 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.814 -3.688 -5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.787 -4.364 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.197 -5.835 -7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.293 -6.812 -7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.131 -5.278 -7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.951 -4.841 -9.377 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.645 -5.989 -9.590 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.625 -6.994 -10.512 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.256 -7.850 -9.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.604 -7.338 -9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.915 -6.507 -7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.273 -5.677 -9.311 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.126 -5.152 -3.865 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.416 -6.054 -2.756 1.00 0.00 C ATOM 1258 C LEU A 81 -4.743 -6.775 -2.972 1.00 0.00 C ATOM 1259 O LEU A 81 -5.590 -6.318 -3.738 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.452 -5.279 -1.438 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.250 -4.376 -1.157 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -0.964 -5.039 -1.624 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.430 -3.023 -1.831 1.00 0.00 C ATOM 0 H LEU A 81 -3.696 -4.306 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.622 -6.800 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.353 -4.665 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.542 -5.995 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.183 -4.217 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.120 -4.382 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.828 -5.983 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.021 -5.228 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.565 -2.394 -1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.523 -3.163 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.330 -2.543 -1.448 1.00 0.00 H new ATOM 1275 N GLU A 82 -4.916 -7.903 -2.290 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.141 -8.685 -2.406 1.00 0.00 C ATOM 1277 C GLU A 82 -6.606 -9.175 -1.038 1.00 0.00 C ATOM 1278 O GLU A 82 -5.823 -9.724 -0.265 1.00 0.00 O ATOM 1279 CB GLU A 82 -5.923 -9.877 -3.340 1.00 0.00 C ATOM 1280 CG GLU A 82 -6.824 -11.062 -3.035 1.00 0.00 C ATOM 1281 CD GLU A 82 -6.485 -12.283 -3.867 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -5.695 -12.147 -4.825 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -7.008 -13.375 -3.561 1.00 0.00 O ATOM 0 H GLU A 82 -4.224 -8.295 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.915 -8.041 -2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.092 -9.558 -4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.883 -10.195 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.742 -11.313 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.861 -10.781 -3.216 1.00 0.00 H new ATOM 1290 N ALA A 83 -7.887 -8.971 -0.747 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.458 -9.392 0.526 1.00 0.00 C ATOM 1292 C ALA A 83 -8.967 -10.828 0.451 1.00 0.00 C ATOM 1293 O ALA A 83 -8.811 -11.500 -0.569 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.581 -8.452 0.937 1.00 0.00 C ATOM 0 H ALA A 83 -8.549 -8.517 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.672 -9.352 1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.998 -8.778 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.189 -7.440 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.361 -8.463 0.176 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.576 -11.292 1.537 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.109 -12.648 1.595 1.00 0.00 C ATOM 1302 C LYS A 84 -11.610 -12.654 1.324 1.00 0.00 C ATOM 1303 O LYS A 84 -12.134 -13.577 0.700 1.00 0.00 O ATOM 1304 CB LYS A 84 -9.824 -13.272 2.963 1.00 0.00 C ATOM 1305 CG LYS A 84 -10.603 -12.630 4.098 1.00 0.00 C ATOM 1306 CD LYS A 84 -10.410 -13.385 5.403 1.00 0.00 C ATOM 1307 CE LYS A 84 -9.212 -12.858 6.179 1.00 0.00 C ATOM 1308 NZ LYS A 84 -8.946 -13.664 7.402 1.00 0.00 N ATOM 0 H LYS A 84 -9.713 -10.749 2.389 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.616 -13.239 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.063 -14.335 2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.758 -13.192 3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.280 -11.596 4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.663 -12.604 3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.309 -13.295 6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.272 -14.446 5.194 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.331 -12.869 5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.389 -11.820 6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.123 -13.273 7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.778 -13.633 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.752 -14.650 7.133 1.00 0.00 H new ATOM 1322 N SER A 85 -12.296 -11.618 1.796 1.00 0.00 N ATOM 1323 CA SER A 85 -13.738 -11.506 1.606 1.00 0.00 C ATOM 1324 C SER A 85 -14.127 -10.080 1.227 1.00 0.00 C ATOM 1325 O SER A 85 -13.435 -9.123 1.575 1.00 0.00 O ATOM 1326 CB SER A 85 -14.475 -11.927 2.879 1.00 0.00 C ATOM 1327 OG SER A 85 -15.870 -12.028 2.650 1.00 0.00 O ATOM 0 H SER A 85 -11.877 -10.845 2.312 1.00 0.00 H new ATOM 0 HA SER A 85 -14.025 -12.171 0.791 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.090 -12.886 3.226 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.285 -11.202 3.670 1.00 0.00 H new ATOM 0 HG SER A 85 -16.319 -12.300 3.478 1.00 0.00 H new ATOM 1333 N SER A 86 -15.239 -9.947 0.512 1.00 0.00 N ATOM 1334 CA SER A 86 -15.719 -8.639 0.082 1.00 0.00 C ATOM 1335 C SER A 86 -15.686 -7.642 1.236 1.00 0.00 C ATOM 1336 O SER A 86 -15.309 -6.484 1.058 1.00 0.00 O ATOM 1337 CB SER A 86 -17.142 -8.751 -0.469 1.00 0.00 C ATOM 1338 OG SER A 86 -17.604 -7.499 -0.946 1.00 0.00 O ATOM 0 H SER A 86 -15.825 -10.729 0.218 1.00 0.00 H new ATOM 0 HA SER A 86 -15.058 -8.278 -0.706 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.166 -9.483 -1.276 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.810 -9.115 0.311 1.00 0.00 H new ATOM 0 HG SER A 86 -18.515 -7.597 -1.294 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.082 -8.101 2.419 1.00 0.00 N ATOM 1345 CA GLU A 87 -16.099 -7.248 3.602 1.00 0.00 C ATOM 1346 C GLU A 87 -14.687 -6.798 3.967 1.00 0.00 C ATOM 1347 O GLU A 87 -14.468 -5.643 4.330 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.731 -7.989 4.782 1.00 0.00 C ATOM 1349 CG GLU A 87 -18.231 -8.189 4.642 1.00 0.00 C ATOM 1350 CD GLU A 87 -19.027 -6.995 5.131 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -18.586 -6.343 6.100 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -20.093 -6.713 4.544 1.00 0.00 O ATOM 0 H GLU A 87 -16.395 -9.058 2.584 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.696 -6.365 3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.252 -8.962 4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.531 -7.434 5.698 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.472 -8.378 3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.530 -9.074 5.203 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.734 -7.720 3.870 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.344 -7.418 4.191 1.00 0.00 C ATOM 1361 C GLU A 88 -11.811 -6.299 3.302 1.00 0.00 C ATOM 1362 O GLU A 88 -11.286 -5.300 3.792 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.478 -8.669 4.031 1.00 0.00 C ATOM 1364 CG GLU A 88 -9.999 -8.420 4.278 1.00 0.00 C ATOM 1365 CD GLU A 88 -9.664 -8.309 5.752 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -10.473 -7.725 6.503 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -8.591 -8.805 6.155 1.00 0.00 O ATOM 0 H GLU A 88 -13.899 -8.681 3.572 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.301 -7.085 5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.829 -9.435 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.608 -9.065 3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.419 -9.231 3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.699 -7.503 3.771 1.00 0.00 H new ATOM 1374 N MET A 89 -11.949 -6.476 1.992 1.00 0.00 N ATOM 1375 CA MET A 89 -11.481 -5.481 1.034 1.00 0.00 C ATOM 1376 C MET A 89 -12.141 -4.129 1.288 1.00 0.00 C ATOM 1377 O MET A 89 -11.528 -3.081 1.089 1.00 0.00 O ATOM 1378 CB MET A 89 -11.772 -5.942 -0.396 1.00 0.00 C ATOM 1379 CG MET A 89 -13.254 -5.995 -0.728 1.00 0.00 C ATOM 1380 SD MET A 89 -13.572 -5.913 -2.501 1.00 0.00 S ATOM 1381 CE MET A 89 -12.981 -4.264 -2.875 1.00 0.00 C ATOM 0 H MET A 89 -12.381 -7.298 1.570 1.00 0.00 H new ATOM 0 HA MET A 89 -10.404 -5.370 1.161 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.276 -5.268 -1.094 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.339 -6.931 -0.545 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.679 -6.916 -0.329 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.763 -5.168 -0.233 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.772 -3.697 -3.365 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.694 -3.762 -1.951 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.117 -4.328 -3.537 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.395 -4.161 1.729 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.116 -2.932 2.002 1.00 0.00 C ATOM 1393 C GLY A 90 -13.524 -2.158 3.164 1.00 0.00 C ATOM 1394 O GLY A 90 -13.625 -0.932 3.218 1.00 0.00 O ATOM 0 H GLY A 90 -13.924 -5.016 1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.109 -2.305 1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.158 -3.166 2.219 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.906 -2.875 4.097 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.296 -2.248 5.264 1.00 0.00 C ATOM 1400 C HIS A 91 -10.932 -1.659 4.914 1.00 0.00 C ATOM 1401 O HIS A 91 -10.509 -0.661 5.497 1.00 0.00 O ATOM 1402 CB HIS A 91 -12.150 -3.264 6.397 1.00 0.00 C ATOM 1403 CG HIS A 91 -11.156 -2.858 7.442 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.379 -1.829 8.332 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.930 -3.349 7.736 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -10.332 -1.704 9.128 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.439 -2.615 8.787 1.00 0.00 N ATOM 0 H HIS A 91 -12.814 -3.890 4.068 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.948 -1.439 5.593 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -13.121 -3.411 6.869 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.851 -4.224 5.977 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.431 -4.166 7.237 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.225 -0.980 9.922 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.532 -2.751 9.232 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.251 -2.284 3.961 1.00 0.00 N ATOM 1417 CA TRP A 92 -8.935 -1.822 3.534 1.00 0.00 C ATOM 1418 C TRP A 92 -9.056 -0.627 2.594 1.00 0.00 C ATOM 1419 O TRP A 92 -8.283 0.328 2.685 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.172 -2.954 2.845 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.455 -3.856 3.802 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -7.936 -5.004 4.365 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.127 -3.685 4.310 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -6.988 -5.555 5.193 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -5.869 -4.766 5.175 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.131 -2.724 4.117 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.657 -4.910 5.845 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -3.928 -2.868 4.782 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.699 -3.955 5.637 1.00 0.00 C ATOM 0 H TRP A 92 -10.588 -3.112 3.469 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.383 -1.509 4.420 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.871 -3.546 2.253 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.450 -2.525 2.150 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.917 -5.418 4.186 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.100 -6.413 5.734 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.298 -1.884 3.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.479 -5.746 6.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.151 -2.131 4.641 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.748 -4.041 6.141 1.00 0.00 H new ATOM 1440 N LEU A 93 -10.028 -0.687 1.691 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.250 0.391 0.734 1.00 0.00 C ATOM 1442 C LEU A 93 -10.258 1.747 1.433 1.00 0.00 C ATOM 1443 O LEU A 93 -9.449 2.621 1.124 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.572 0.179 -0.006 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.524 -0.767 -1.207 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -12.917 -0.969 -1.783 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.577 -0.231 -2.270 1.00 0.00 C ATOM 0 H LEU A 93 -10.675 -1.470 1.601 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.431 0.378 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.305 -0.204 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -11.934 1.149 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.149 -1.733 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.863 -1.645 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.567 -1.398 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.320 -0.009 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.555 -0.917 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.921 0.748 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.575 -0.139 -1.852 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.177 1.915 2.379 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.272 3.166 3.108 1.00 0.00 C ATOM 1461 C GLY A 94 -10.051 3.430 3.966 1.00 0.00 C ATOM 1462 O GLY A 94 -9.641 4.579 4.140 1.00 0.00 O ATOM 0 H GLY A 94 -11.858 1.207 2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.400 3.986 2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.160 3.148 3.740 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.468 2.366 4.507 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.287 2.488 5.354 1.00 0.00 C ATOM 1468 C LEU A 95 -7.131 3.124 4.588 1.00 0.00 C ATOM 1469 O LEU A 95 -6.578 4.140 5.010 1.00 0.00 O ATOM 1470 CB LEU A 95 -7.869 1.114 5.882 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.456 1.017 6.456 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.464 1.316 7.947 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -5.865 -0.360 6.190 1.00 0.00 C ATOM 0 H LEU A 95 -9.794 1.409 4.374 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.539 3.133 6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.575 0.814 6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.960 0.392 5.070 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.832 1.760 5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.449 1.242 8.338 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.845 2.324 8.114 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.104 0.597 8.459 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.859 -0.411 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.490 -1.121 6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.823 -0.536 5.115 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.772 2.520 3.460 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.683 3.029 2.634 1.00 0.00 C ATOM 1487 C LEU A 96 -6.000 4.428 2.117 1.00 0.00 C ATOM 1488 O LEU A 96 -5.128 5.298 2.074 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.426 2.085 1.458 1.00 0.00 C ATOM 1490 CG LEU A 96 -4.932 0.683 1.818 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.203 -0.287 0.679 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.449 0.710 2.156 1.00 0.00 C ATOM 0 H LEU A 96 -7.219 1.678 3.097 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.786 3.084 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.350 1.988 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.692 2.549 0.799 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.478 0.341 2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.845 -1.279 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.275 -0.329 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.684 0.051 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.115 -0.296 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.886 1.073 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.281 1.373 3.005 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.252 4.640 1.727 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.685 5.936 1.215 1.00 0.00 C ATOM 1506 C LEU A 97 -7.383 7.046 2.216 1.00 0.00 C ATOM 1507 O LEU A 97 -6.788 8.066 1.867 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.183 5.909 0.904 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.574 5.347 -0.463 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -11.017 4.865 -0.449 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.369 6.393 -1.549 1.00 0.00 C ATOM 0 H LEU A 97 -7.985 3.932 1.755 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.133 6.139 0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.683 5.320 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.568 6.926 0.980 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.930 4.495 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.278 4.468 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.132 4.082 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.677 5.698 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.652 5.975 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.987 7.265 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.320 6.689 -1.576 1.00 0.00 H new ATOM 1523 N SER A 98 -7.794 6.839 3.463 1.00 0.00 N ATOM 1524 CA SER A 98 -7.568 7.823 4.516 1.00 0.00 C ATOM 1525 C SER A 98 -6.103 8.248 4.557 1.00 0.00 C ATOM 1526 O SER A 98 -5.793 9.434 4.657 1.00 0.00 O ATOM 1527 CB SER A 98 -7.984 7.254 5.873 1.00 0.00 C ATOM 1528 OG SER A 98 -8.107 8.282 6.841 1.00 0.00 O ATOM 0 H SER A 98 -8.285 5.999 3.769 1.00 0.00 H new ATOM 0 HA SER A 98 -8.177 8.700 4.296 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.933 6.727 5.775 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.247 6.523 6.206 1.00 0.00 H new ATOM 0 HG SER A 98 -8.375 7.893 7.699 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.207 7.269 4.479 1.00 0.00 N ATOM 1535 CA GLU A 99 -3.775 7.541 4.509 1.00 0.00 C ATOM 1536 C GLU A 99 -3.325 8.228 3.223 1.00 0.00 C ATOM 1537 O GLU A 99 -2.579 9.207 3.259 1.00 0.00 O ATOM 1538 CB GLU A 99 -2.991 6.242 4.707 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.370 5.488 5.970 1.00 0.00 C ATOM 1540 CD GLU A 99 -2.989 6.236 7.233 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -3.541 7.332 7.463 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -2.139 5.724 7.991 1.00 0.00 O ATOM 0 H GLU A 99 -5.447 6.281 4.395 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.575 8.209 5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.153 5.595 3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -1.926 6.472 4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.445 5.305 5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.881 4.514 5.968 1.00 0.00 H new ATOM 1549 N SER A 100 -3.783 7.708 2.089 1.00 0.00 N ATOM 1550 CA SER A 100 -3.425 8.269 0.791 1.00 0.00 C ATOM 1551 C SER A 100 -4.279 9.492 0.474 1.00 0.00 C ATOM 1552 O SER A 100 -5.269 9.401 -0.250 1.00 0.00 O ATOM 1553 CB SER A 100 -3.593 7.216 -0.306 1.00 0.00 C ATOM 1554 OG SER A 100 -4.951 6.837 -0.446 1.00 0.00 O ATOM 0 H SER A 100 -4.403 6.899 2.042 1.00 0.00 H new ATOM 0 HA SER A 100 -2.381 8.578 0.831 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.223 7.610 -1.252 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.990 6.339 -0.068 1.00 0.00 H new ATOM 0 HG SER A 100 -5.505 7.639 -0.549 1.00 0.00 H new