USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 802 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 70 ASN : amide:sc= -1.34 K(o=-2.1,f=-4.5!) USER MOD Set 1.2: B 501 MET CE :methyl 165:sc= -0.671 (180deg=-0.935) USER MOD Set 1.3: B 502 THR OG1 : rot 27:sc= -0.12 USER MOD Set 2.1: A 107 ASN : amide:sc= -4.39! C(o=-9.6!,f=-13!) USER MOD Set 2.2: A 108 ASN : amide:sc= -5.25! C(o=-9.6!,f=-8!) USER MOD Set 3.1: A 54 SER OG : rot -59:sc= 0.516 USER MOD Set 3.2: A 56 LYS NZ :NH3+ -111:sc= -0.116 (180deg=-2.08!) USER MOD Single : A 19 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.71) USER MOD Single : A 20 LYS NZ :NH3+ 156:sc= -0.0719 (180deg=-0.401) USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= -0.089 (180deg=-0.459) USER MOD Single : A 25 ASN : amide:sc= -0.704 K(o=-0.7,f=-2.9!) USER MOD Single : A 31 ASN : amide:sc=-0.00969 K(o=-0.0097,f=-2.8!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 161:sc= -11! (180deg=-14!) USER MOD Single : A 41 THR OG1 : rot -76:sc= 1.39 USER MOD Single : A 43 THR OG1 : rot 89:sc= 1.08 USER MOD Single : A 48 TYR OH : rot 44:sc= 1.2 USER MOD Single : A 49 THR OG1 : rot -77:sc= -4.26! USER MOD Single : A 51 LYS NZ :NH3+ 146:sc= 0.869 (180deg=-0.731) USER MOD Single : A 58 HIS : no HD1:sc= -6.38! C(o=-6.4!,f=-11!) USER MOD Single : A 59 TYR OH : rot 76:sc= -1.88! USER MOD Single : A 61 CYS SG : rot 180:sc= -1.17 USER MOD Single : A 65 TYR OH : rot -82:sc= 0.424 USER MOD Single : A 67 TYR OH : rot 54:sc= 1.09 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 60:sc= -3.28! USER MOD Single : A 76 SER OG : rot 26:sc= 0.0852 USER MOD Single : A 90 LYS NZ :NH3+ 142:sc= -0.938 (180deg=-2.18!) USER MOD Single : A 91 CYS SG : rot -168:sc= -15.5! USER MOD Single : A 99 ASN : amide:sc= -0.0187 K(o=-0.019,f=-2.3!) USER MOD Single : A 100 MET CE :methyl 178:sc= -4.48! (180deg=-4.68!) USER MOD Single : A 102 GLN : amide:sc= -7.57! C(o=-7.6!,f=-12!) USER MOD Single : A 105 MET CE :methyl -125:sc= -5.64! (180deg=-10.1!) USER MOD Single : A 106 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.39) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 503 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0488) USER MOD Single : B 509 ASN : amide:sc= -1.86 K(o=-1.9,f=-6!) USER MOD Single : B 511 GLN : amide:sc= -3.09! K(o=-3.1!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 173 N ASN A 19 -1.829 12.217 -0.079 1.00 0.00 N ATOM 174 CA ASN A 19 -1.408 10.921 0.404 1.00 0.00 C ATOM 175 C ASN A 19 -2.430 10.292 1.351 1.00 0.00 C ATOM 176 O ASN A 19 -2.542 9.073 1.425 1.00 0.00 O ATOM 177 CB ASN A 19 -0.050 11.058 1.073 1.00 0.00 C ATOM 178 CG ASN A 19 1.082 11.278 0.086 1.00 0.00 C ATOM 179 OD1 ASN A 19 0.907 11.916 -0.953 1.00 0.00 O ATOM 180 ND2 ASN A 19 2.250 10.745 0.399 1.00 0.00 N ATOM 0 HA ASN A 19 -1.330 10.246 -0.448 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.080 11.892 1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.154 10.159 1.655 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.046 10.855 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.356 10.223 1.269 1.00 0.00 H new ATOM 187 N LYS A 20 -3.176 11.119 2.072 1.00 0.00 N ATOM 188 CA LYS A 20 -4.229 10.621 2.952 1.00 0.00 C ATOM 189 C LYS A 20 -5.490 10.366 2.139 1.00 0.00 C ATOM 190 O LYS A 20 -6.201 11.303 1.778 1.00 0.00 O ATOM 191 CB LYS A 20 -4.510 11.671 4.033 1.00 0.00 C ATOM 192 CG LYS A 20 -5.646 11.320 4.968 1.00 0.00 C ATOM 193 CD LYS A 20 -5.236 10.270 5.961 1.00 0.00 C ATOM 194 CE LYS A 20 -4.746 10.856 7.263 1.00 0.00 C ATOM 195 NZ LYS A 20 -5.825 11.575 8.000 1.00 0.00 N ATOM 0 H LYS A 20 -3.073 12.134 2.066 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.914 9.689 3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.605 11.820 4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.735 12.621 3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.973 12.215 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.498 10.963 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.083 9.613 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.449 9.653 5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.349 10.059 7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.924 11.544 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.594 11.603 9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.907 12.546 7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.728 11.078 7.865 1.00 0.00 H new ATOM 209 N PHE A 21 -5.766 9.100 1.872 1.00 0.00 N ATOM 210 CA PHE A 21 -6.966 8.723 1.135 1.00 0.00 C ATOM 211 C PHE A 21 -7.910 7.895 1.984 1.00 0.00 C ATOM 212 O PHE A 21 -7.543 6.835 2.462 1.00 0.00 O ATOM 213 CB PHE A 21 -6.571 7.932 -0.119 1.00 0.00 C ATOM 214 CG PHE A 21 -6.068 8.785 -1.247 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.488 10.099 -1.404 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.159 8.270 -2.147 1.00 0.00 C ATOM 217 CE1 PHE A 21 -6.006 10.869 -2.443 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.675 9.027 -3.174 1.00 0.00 C ATOM 219 CZ PHE A 21 -5.094 10.328 -3.329 1.00 0.00 C ATOM 0 H PHE A 21 -5.178 8.315 2.153 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.487 9.638 0.852 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.800 7.209 0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.435 7.364 -0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.197 10.522 -0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.824 7.249 -2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.340 11.889 -2.563 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.962 8.604 -3.866 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.711 10.926 -4.142 1.00 0.00 H new ATOM 229 N LYS A 22 -9.124 8.382 2.180 1.00 0.00 N ATOM 230 CA LYS A 22 -10.152 7.581 2.829 1.00 0.00 C ATOM 231 C LYS A 22 -10.511 6.399 1.949 1.00 0.00 C ATOM 232 O LYS A 22 -11.153 6.552 0.913 1.00 0.00 O ATOM 233 CB LYS A 22 -11.396 8.411 3.112 1.00 0.00 C ATOM 234 CG LYS A 22 -11.531 8.855 4.549 1.00 0.00 C ATOM 235 CD LYS A 22 -11.790 7.684 5.484 1.00 0.00 C ATOM 236 CE LYS A 22 -13.190 7.128 5.319 1.00 0.00 C ATOM 237 NZ LYS A 22 -14.232 8.140 5.637 1.00 0.00 N ATOM 0 H LYS A 22 -9.421 9.318 1.903 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.758 7.223 3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.384 9.292 2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.277 7.830 2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.621 9.370 4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.347 9.573 4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.062 6.897 5.290 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.646 8.005 6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.323 6.780 4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.315 6.262 5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.139 7.662 5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.952 8.671 6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.334 8.796 4.837 1.00 0.00 H new ATOM 251 N VAL A 23 -10.068 5.224 2.348 1.00 0.00 N ATOM 252 CA VAL A 23 -10.359 4.017 1.616 1.00 0.00 C ATOM 253 C VAL A 23 -11.495 3.278 2.300 1.00 0.00 C ATOM 254 O VAL A 23 -12.112 3.785 3.232 1.00 0.00 O ATOM 255 CB VAL A 23 -9.107 3.113 1.537 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.949 3.890 0.943 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.729 2.574 2.907 1.00 0.00 C ATOM 0 H VAL A 23 -9.500 5.083 3.184 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.654 4.279 0.600 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.339 2.263 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.070 3.248 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.213 4.227 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.730 4.754 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.845 1.942 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.515 3.405 3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.556 1.987 3.308 1.00 0.00 H new ATOM 267 N ILE A 24 -11.800 2.103 1.826 1.00 0.00 N ATOM 268 CA ILE A 24 -12.769 1.273 2.492 1.00 0.00 C ATOM 269 C ILE A 24 -12.210 -0.121 2.681 1.00 0.00 C ATOM 270 O ILE A 24 -12.108 -0.856 1.719 1.00 0.00 O ATOM 271 CB ILE A 24 -14.054 1.141 1.682 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.792 2.450 1.517 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.969 0.181 2.360 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.619 2.470 0.253 1.00 0.00 C ATOM 0 H ILE A 24 -11.394 1.697 0.983 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.989 1.747 3.449 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.761 0.793 0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.440 2.614 2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.076 3.271 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.888 0.085 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.484 -0.792 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.205 0.547 3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.134 3.427 0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -14.968 2.333 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.353 1.665 0.286 1.00 0.00 H new ATOM 286 N ASN A 25 -11.846 -0.506 3.886 1.00 0.00 N ATOM 287 CA ASN A 25 -11.385 -1.868 4.080 1.00 0.00 C ATOM 288 C ASN A 25 -12.505 -2.841 3.720 1.00 0.00 C ATOM 289 O ASN A 25 -13.564 -2.860 4.358 1.00 0.00 O ATOM 290 CB ASN A 25 -10.888 -2.073 5.515 1.00 0.00 C ATOM 291 CG ASN A 25 -11.024 -3.501 6.025 1.00 0.00 C ATOM 292 OD1 ASN A 25 -10.871 -4.466 5.283 1.00 0.00 O ATOM 293 ND2 ASN A 25 -11.325 -3.637 7.305 1.00 0.00 N ATOM 0 H ASN A 25 -11.858 0.080 4.721 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.539 -2.063 3.421 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.840 -1.778 5.570 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.442 -1.408 6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.438 -4.568 7.706 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.445 -2.811 7.891 1.00 0.00 H new ATOM 300 N VAL A 26 -12.271 -3.612 2.667 1.00 0.00 N ATOM 301 CA VAL A 26 -13.268 -4.521 2.129 1.00 0.00 C ATOM 302 C VAL A 26 -12.627 -5.889 1.940 1.00 0.00 C ATOM 303 O VAL A 26 -11.586 -6.007 1.298 1.00 0.00 O ATOM 304 CB VAL A 26 -13.811 -3.974 0.788 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.586 -2.695 1.041 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.693 -3.705 -0.194 1.00 0.00 C ATOM 0 H VAL A 26 -11.384 -3.623 2.163 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.108 -4.611 2.818 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.466 -4.729 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.969 -2.309 0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.419 -2.901 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.928 -1.955 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.111 -3.322 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.008 -2.969 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.153 -4.631 -0.393 1.00 0.00 H new ATOM 316 N ASP A 27 -13.234 -6.935 2.473 1.00 0.00 N ATOM 317 CA ASP A 27 -12.546 -8.216 2.491 1.00 0.00 C ATOM 318 C ASP A 27 -13.358 -9.328 1.854 1.00 0.00 C ATOM 319 O ASP A 27 -14.512 -9.550 2.213 1.00 0.00 O ATOM 320 CB ASP A 27 -12.152 -8.592 3.922 1.00 0.00 C ATOM 321 CG ASP A 27 -11.356 -9.882 3.998 1.00 0.00 C ATOM 322 OD1 ASP A 27 -10.154 -9.870 3.651 1.00 0.00 O ATOM 323 OD2 ASP A 27 -11.928 -10.911 4.421 1.00 0.00 O ATOM 0 H ASP A 27 -14.167 -6.929 2.885 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.645 -8.099 1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.564 -7.783 4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.053 -8.691 4.527 1.00 0.00 H new ATOM 328 N ASP A 28 -12.723 -10.005 0.891 1.00 0.00 N ATOM 329 CA ASP A 28 -13.270 -11.188 0.203 1.00 0.00 C ATOM 330 C ASP A 28 -14.646 -10.973 -0.426 1.00 0.00 C ATOM 331 O ASP A 28 -15.242 -11.913 -0.944 1.00 0.00 O ATOM 332 CB ASP A 28 -13.325 -12.389 1.146 1.00 0.00 C ATOM 333 CG ASP A 28 -12.076 -13.235 1.062 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.036 -14.165 0.229 1.00 0.00 O ATOM 335 OD2 ASP A 28 -11.121 -12.978 1.813 1.00 0.00 O ATOM 0 H ASP A 28 -11.795 -9.743 0.559 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.580 -11.380 -0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.458 -12.040 2.170 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.194 -13.001 0.903 1.00 0.00 H new ATOM 340 N ASP A 29 -15.139 -9.751 -0.403 1.00 0.00 N ATOM 341 CA ASP A 29 -16.433 -9.450 -0.998 1.00 0.00 C ATOM 342 C ASP A 29 -16.439 -8.037 -1.565 1.00 0.00 C ATOM 343 O ASP A 29 -17.363 -7.629 -2.265 1.00 0.00 O ATOM 344 CB ASP A 29 -17.547 -9.608 0.041 1.00 0.00 C ATOM 345 CG ASP A 29 -18.929 -9.468 -0.565 1.00 0.00 C ATOM 346 OD1 ASP A 29 -19.276 -10.280 -1.451 1.00 0.00 O ATOM 347 OD2 ASP A 29 -19.671 -8.546 -0.169 1.00 0.00 O ATOM 0 H ASP A 29 -14.668 -8.950 0.019 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.612 -10.153 -1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.460 -10.585 0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.419 -8.860 0.823 1.00 0.00 H new ATOM 352 N GLY A 30 -15.365 -7.305 -1.288 1.00 0.00 N ATOM 353 CA GLY A 30 -15.318 -5.893 -1.619 1.00 0.00 C ATOM 354 C GLY A 30 -16.343 -5.139 -0.816 1.00 0.00 C ATOM 355 O GLY A 30 -16.791 -4.067 -1.203 1.00 0.00 O ATOM 0 H GLY A 30 -14.524 -7.666 -0.839 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.323 -5.497 -1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.505 -5.755 -2.684 1.00 0.00 H new ATOM 359 N ASN A 31 -16.704 -5.720 0.317 1.00 0.00 N ATOM 360 CA ASN A 31 -17.720 -5.161 1.182 1.00 0.00 C ATOM 361 C ASN A 31 -17.077 -4.278 2.216 1.00 0.00 C ATOM 362 O ASN A 31 -16.129 -4.702 2.871 1.00 0.00 O ATOM 363 CB ASN A 31 -18.490 -6.287 1.872 1.00 0.00 C ATOM 364 CG ASN A 31 -19.861 -5.858 2.366 1.00 0.00 C ATOM 365 OD1 ASN A 31 -20.067 -4.708 2.762 1.00 0.00 O ATOM 366 ND2 ASN A 31 -20.808 -6.779 2.339 1.00 0.00 N ATOM 0 H ASN A 31 -16.299 -6.591 0.659 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.412 -4.568 0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.605 -7.119 1.177 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.906 -6.655 2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -21.751 -6.550 2.653 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.596 -7.719 2.004 1.00 0.00 H new ATOM 373 N GLU A 32 -17.540 -3.034 2.306 1.00 0.00 N ATOM 374 CA GLU A 32 -17.064 -2.104 3.314 1.00 0.00 C ATOM 375 C GLU A 32 -17.267 -2.663 4.725 1.00 0.00 C ATOM 376 O GLU A 32 -18.232 -2.325 5.410 1.00 0.00 O ATOM 377 CB GLU A 32 -17.801 -0.773 3.167 1.00 0.00 C ATOM 378 CG GLU A 32 -17.952 -0.349 1.717 1.00 0.00 C ATOM 379 CD GLU A 32 -19.325 -0.629 1.162 1.00 0.00 C ATOM 380 OE1 GLU A 32 -19.556 -1.775 0.736 1.00 0.00 O ATOM 381 OE2 GLU A 32 -20.159 0.290 1.124 1.00 0.00 O ATOM 0 H GLU A 32 -18.251 -2.649 1.684 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.995 -1.951 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.788 -0.856 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.261 -0.000 3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.742 0.717 1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.209 -0.869 1.113 1.00 0.00 H new ATOM 388 N LEU A 33 -16.350 -3.518 5.145 1.00 0.00 N ATOM 389 CA LEU A 33 -16.423 -4.163 6.445 1.00 0.00 C ATOM 390 C LEU A 33 -15.954 -3.202 7.522 1.00 0.00 C ATOM 391 O LEU A 33 -16.421 -3.237 8.662 1.00 0.00 O ATOM 392 CB LEU A 33 -15.576 -5.444 6.434 1.00 0.00 C ATOM 393 CG LEU A 33 -16.298 -6.724 5.985 1.00 0.00 C ATOM 394 CD1 LEU A 33 -17.477 -6.399 5.105 1.00 0.00 C ATOM 395 CD2 LEU A 33 -15.356 -7.614 5.206 1.00 0.00 C ATOM 0 H LEU A 33 -15.534 -3.785 4.594 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.455 -4.438 6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.720 -5.284 5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.183 -5.605 7.438 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.643 -7.236 6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.970 -7.323 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -18.181 -5.776 5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.134 -5.863 4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.882 -8.517 4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.997 -7.081 4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.509 -7.887 5.835 1.00 0.00 H new ATOM 407 N GLY A 34 -15.036 -2.336 7.131 1.00 0.00 N ATOM 408 CA GLY A 34 -14.558 -1.287 7.998 1.00 0.00 C ATOM 409 C GLY A 34 -13.811 -0.252 7.197 1.00 0.00 C ATOM 410 O GLY A 34 -12.587 -0.307 7.096 1.00 0.00 O ATOM 0 H GLY A 34 -14.606 -2.344 6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.397 -0.822 8.515 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.905 -1.707 8.763 1.00 0.00 H new ATOM 414 N SER A 35 -14.543 0.672 6.592 1.00 0.00 N ATOM 415 CA SER A 35 -13.937 1.631 5.688 1.00 0.00 C ATOM 416 C SER A 35 -12.876 2.457 6.418 1.00 0.00 C ATOM 417 O SER A 35 -13.121 3.007 7.495 1.00 0.00 O ATOM 418 CB SER A 35 -15.006 2.508 5.035 1.00 0.00 C ATOM 419 OG SER A 35 -15.805 3.161 6.005 1.00 0.00 O ATOM 0 H SER A 35 -15.551 0.776 6.711 1.00 0.00 H new ATOM 0 HA SER A 35 -13.433 1.092 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.528 3.251 4.396 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.639 1.895 4.393 1.00 0.00 H new ATOM 0 HG SER A 35 -16.477 3.715 5.556 1.00 0.00 H new ATOM 425 N GLY A 36 -11.696 2.523 5.822 1.00 0.00 N ATOM 426 CA GLY A 36 -10.537 3.046 6.511 1.00 0.00 C ATOM 427 C GLY A 36 -9.945 4.261 5.826 1.00 0.00 C ATOM 428 O GLY A 36 -10.577 4.900 5.000 1.00 0.00 O ATOM 0 H GLY A 36 -11.520 2.220 4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.815 3.309 7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.778 2.267 6.578 1.00 0.00 H new ATOM 432 N ILE A 37 -8.734 4.580 6.203 1.00 0.00 N ATOM 433 CA ILE A 37 -7.901 5.532 5.492 1.00 0.00 C ATOM 434 C ILE A 37 -6.769 4.755 4.876 1.00 0.00 C ATOM 435 O ILE A 37 -6.487 3.669 5.311 1.00 0.00 O ATOM 436 CB ILE A 37 -7.275 6.541 6.478 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.278 7.521 7.039 1.00 0.00 C ATOM 438 CG2 ILE A 37 -6.138 7.339 5.877 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.686 8.614 6.073 1.00 0.00 C ATOM 0 H ILE A 37 -8.285 4.181 7.028 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.500 6.064 4.753 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.891 5.911 7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.169 6.975 7.349 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.859 7.981 7.934 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.743 8.029 6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.347 6.661 5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.503 7.903 5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.408 9.274 6.554 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.807 9.189 5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -9.137 8.167 5.187 1.00 0.00 H new ATOM 451 N MET A 38 -6.135 5.282 3.882 1.00 0.00 N ATOM 452 CA MET A 38 -4.868 4.764 3.471 1.00 0.00 C ATOM 453 C MET A 38 -3.924 5.931 3.288 1.00 0.00 C ATOM 454 O MET A 38 -3.829 6.521 2.215 1.00 0.00 O ATOM 455 CB MET A 38 -5.027 3.919 2.226 1.00 0.00 C ATOM 456 CG MET A 38 -3.825 3.093 1.896 1.00 0.00 C ATOM 457 SD MET A 38 -3.484 1.894 3.173 1.00 0.00 S ATOM 458 CE MET A 38 -5.107 1.155 3.233 1.00 0.00 C ATOM 0 H MET A 38 -6.473 6.074 3.336 1.00 0.00 H new ATOM 0 HA MET A 38 -4.445 4.101 4.226 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.885 3.259 2.354 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.250 4.572 1.382 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.984 2.580 0.947 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.960 3.743 1.766 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.044 0.177 3.709 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.777 1.795 3.807 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.493 1.041 2.220 1.00 0.00 H new ATOM 468 N GLU A 39 -3.269 6.280 4.387 1.00 0.00 N ATOM 469 CA GLU A 39 -2.372 7.402 4.443 1.00 0.00 C ATOM 470 C GLU A 39 -1.041 6.976 3.842 1.00 0.00 C ATOM 471 O GLU A 39 -0.210 6.354 4.511 1.00 0.00 O ATOM 472 CB GLU A 39 -2.175 7.799 5.900 1.00 0.00 C ATOM 473 CG GLU A 39 -1.103 8.847 6.130 1.00 0.00 C ATOM 474 CD GLU A 39 -1.647 10.185 6.591 1.00 0.00 C ATOM 475 OE1 GLU A 39 -1.831 10.359 7.815 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.896 11.069 5.737 1.00 0.00 O ATOM 0 H GLU A 39 -3.354 5.778 5.271 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.775 8.250 3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.121 8.174 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.923 6.908 6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.398 8.476 6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.544 8.991 5.205 1.00 0.00 H new ATOM 483 N LEU A 40 -0.860 7.267 2.578 1.00 0.00 N ATOM 484 CA LEU A 40 0.321 6.839 1.866 1.00 0.00 C ATOM 485 C LEU A 40 1.537 7.662 2.270 1.00 0.00 C ATOM 486 O LEU A 40 1.504 8.886 2.240 1.00 0.00 O ATOM 487 CB LEU A 40 0.073 6.948 0.365 1.00 0.00 C ATOM 488 CG LEU A 40 -0.235 5.630 -0.345 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.487 5.877 -1.814 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.932 4.671 -0.185 1.00 0.00 C ATOM 0 H LEU A 40 -1.521 7.803 2.016 1.00 0.00 H new ATOM 0 HA LEU A 40 0.529 5.801 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.758 7.633 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.952 7.395 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.127 5.192 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.705 4.931 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.335 6.551 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.398 6.327 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.705 3.734 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.828 5.113 -0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.101 4.477 0.874 1.00 0.00 H new ATOM 502 N THR A 41 2.604 6.995 2.683 1.00 0.00 N ATOM 503 CA THR A 41 3.840 7.691 2.998 1.00 0.00 C ATOM 504 C THR A 41 5.032 7.010 2.329 1.00 0.00 C ATOM 505 O THR A 41 4.843 6.127 1.489 1.00 0.00 O ATOM 506 CB THR A 41 4.091 7.787 4.505 1.00 0.00 C ATOM 507 OG1 THR A 41 4.372 6.496 5.061 1.00 0.00 O ATOM 508 CG2 THR A 41 2.900 8.408 5.223 1.00 0.00 C ATOM 0 H THR A 41 2.639 5.983 2.807 1.00 0.00 H new ATOM 0 HA THR A 41 3.730 8.704 2.611 1.00 0.00 H new ATOM 0 HB THR A 41 4.959 8.430 4.650 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.538 5.988 5.147 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.108 8.463 6.292 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.724 9.411 4.835 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.015 7.795 5.057 1.00 0.00 H new ATOM 516 N ASP A 42 6.247 7.416 2.713 1.00 0.00 N ATOM 517 CA ASP A 42 7.483 6.864 2.141 1.00 0.00 C ATOM 518 C ASP A 42 7.510 5.370 2.253 1.00 0.00 C ATOM 519 O ASP A 42 7.754 4.666 1.280 1.00 0.00 O ATOM 520 CB ASP A 42 8.732 7.379 2.863 1.00 0.00 C ATOM 521 CG ASP A 42 8.607 8.804 3.346 1.00 0.00 C ATOM 522 OD1 ASP A 42 7.950 9.029 4.382 1.00 0.00 O ATOM 523 OD2 ASP A 42 9.172 9.709 2.706 1.00 0.00 O ATOM 0 H ASP A 42 6.403 8.131 3.424 1.00 0.00 H new ATOM 0 HA ASP A 42 7.492 7.182 1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.941 6.732 3.715 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.586 7.306 2.190 1.00 0.00 H new ATOM 528 N THR A 43 7.281 4.870 3.441 1.00 0.00 N ATOM 529 CA THR A 43 7.503 3.474 3.663 1.00 0.00 C ATOM 530 C THR A 43 6.338 2.786 4.320 1.00 0.00 C ATOM 531 O THR A 43 6.326 1.571 4.397 1.00 0.00 O ATOM 532 CB THR A 43 8.723 3.239 4.545 1.00 0.00 C ATOM 533 OG1 THR A 43 8.489 3.769 5.858 1.00 0.00 O ATOM 534 CG2 THR A 43 9.951 3.899 3.964 1.00 0.00 C ATOM 0 H THR A 43 6.949 5.398 4.248 1.00 0.00 H new ATOM 0 HA THR A 43 7.652 3.053 2.669 1.00 0.00 H new ATOM 0 HB THR A 43 8.892 2.164 4.599 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.075 3.081 6.419 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.806 3.714 4.615 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.152 3.487 2.975 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.783 4.973 3.882 1.00 0.00 H new ATOM 542 N GLU A 44 5.385 3.527 4.829 1.00 0.00 N ATOM 543 CA GLU A 44 4.269 2.892 5.486 1.00 0.00 C ATOM 544 C GLU A 44 2.948 3.406 4.972 1.00 0.00 C ATOM 545 O GLU A 44 2.694 4.605 4.890 1.00 0.00 O ATOM 546 CB GLU A 44 4.353 3.027 7.002 1.00 0.00 C ATOM 547 CG GLU A 44 5.141 1.915 7.667 1.00 0.00 C ATOM 548 CD GLU A 44 6.260 2.431 8.537 1.00 0.00 C ATOM 549 OE1 GLU A 44 6.020 2.695 9.730 1.00 0.00 O ATOM 550 OE2 GLU A 44 7.393 2.571 8.030 1.00 0.00 O ATOM 0 H GLU A 44 5.357 4.546 4.803 1.00 0.00 H new ATOM 0 HA GLU A 44 4.327 1.831 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.812 3.984 7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.344 3.042 7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.466 1.309 8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.555 1.261 6.900 1.00 0.00 H new ATOM 557 N LEU A 45 2.137 2.462 4.597 1.00 0.00 N ATOM 558 CA LEU A 45 0.792 2.711 4.179 1.00 0.00 C ATOM 559 C LEU A 45 -0.106 2.738 5.389 1.00 0.00 C ATOM 560 O LEU A 45 -0.588 1.709 5.855 1.00 0.00 O ATOM 561 CB LEU A 45 0.407 1.613 3.207 1.00 0.00 C ATOM 562 CG LEU A 45 0.553 1.958 1.763 1.00 0.00 C ATOM 563 CD1 LEU A 45 0.953 0.734 0.981 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.748 2.475 1.255 1.00 0.00 C ATOM 0 H LEU A 45 2.399 1.477 4.573 1.00 0.00 H new ATOM 0 HA LEU A 45 0.693 3.676 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.017 0.735 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.630 1.333 3.393 1.00 0.00 H new ATOM 0 HG LEU A 45 1.324 2.719 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.058 0.993 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.903 0.356 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.188 -0.034 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.651 2.730 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.515 1.710 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.031 3.364 1.819 1.00 0.00 H new ATOM 576 N ILE A 46 -0.298 3.931 5.910 1.00 0.00 N ATOM 577 CA ILE A 46 -0.964 4.097 7.175 1.00 0.00 C ATOM 578 C ILE A 46 -2.496 4.084 6.971 1.00 0.00 C ATOM 579 O ILE A 46 -3.122 5.116 6.758 1.00 0.00 O ATOM 580 CB ILE A 46 -0.498 5.415 7.862 1.00 0.00 C ATOM 581 CG1 ILE A 46 1.011 5.457 8.031 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.169 5.570 9.190 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.600 4.112 8.241 1.00 0.00 C ATOM 0 H ILE A 46 0.001 4.802 5.471 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.700 3.267 7.830 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.783 6.244 7.215 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.459 5.912 7.148 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.260 6.095 8.879 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.835 6.495 9.661 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.249 5.603 9.050 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.912 4.725 9.828 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.680 4.202 8.356 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.176 3.665 9.140 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.378 3.479 7.382 1.00 0.00 H new ATOM 595 N LEU A 47 -3.089 2.898 7.050 1.00 0.00 N ATOM 596 CA LEU A 47 -4.538 2.721 6.903 1.00 0.00 C ATOM 597 C LEU A 47 -5.243 3.088 8.208 1.00 0.00 C ATOM 598 O LEU A 47 -5.042 2.423 9.213 1.00 0.00 O ATOM 599 CB LEU A 47 -4.860 1.258 6.630 1.00 0.00 C ATOM 600 CG LEU A 47 -6.313 0.824 6.905 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.234 1.014 5.706 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.306 -0.618 7.288 1.00 0.00 C ATOM 0 H LEU A 47 -2.583 2.029 7.218 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.871 3.356 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.629 1.044 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.196 0.641 7.236 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.700 1.456 7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.242 0.690 5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.253 2.067 5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.867 0.422 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.326 -0.946 7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.887 -1.209 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.700 -0.754 8.184 1.00 0.00 H new ATOM 614 N TYR A 48 -6.084 4.096 8.223 1.00 0.00 N ATOM 615 CA TYR A 48 -6.804 4.401 9.458 1.00 0.00 C ATOM 616 C TYR A 48 -8.096 3.609 9.486 1.00 0.00 C ATOM 617 O TYR A 48 -9.064 3.993 8.843 1.00 0.00 O ATOM 618 CB TYR A 48 -7.133 5.887 9.629 1.00 0.00 C ATOM 619 CG TYR A 48 -5.937 6.763 9.787 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.954 6.692 8.861 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.800 7.662 10.833 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.853 7.464 8.926 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.679 8.464 10.924 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.701 8.362 9.958 1.00 0.00 C ATOM 625 OH TYR A 48 -2.582 9.156 10.022 1.00 0.00 O ATOM 0 H TYR A 48 -6.289 4.705 7.431 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.143 4.126 10.280 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.704 6.223 8.764 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.776 6.007 10.501 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.055 5.994 8.043 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.575 7.736 11.582 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.089 7.379 8.168 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.570 9.162 11.741 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.388 9.520 9.133 1.00 0.00 H new ATOM 635 N THR A 49 -8.116 2.509 10.211 1.00 0.00 N ATOM 636 CA THR A 49 -9.318 1.689 10.276 1.00 0.00 C ATOM 637 C THR A 49 -10.397 2.370 11.111 1.00 0.00 C ATOM 638 O THR A 49 -10.184 3.467 11.630 1.00 0.00 O ATOM 639 CB THR A 49 -9.034 0.312 10.854 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.141 0.431 11.950 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.452 -0.599 9.802 1.00 0.00 C ATOM 0 H THR A 49 -7.328 2.162 10.758 1.00 0.00 H new ATOM 0 HA THR A 49 -9.671 1.569 9.252 1.00 0.00 H new ATOM 0 HB THR A 49 -9.971 -0.124 11.199 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.231 0.573 11.616 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.256 -1.579 10.237 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.159 -0.702 8.979 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.520 -0.175 9.429 1.00 0.00 H new ATOM 649 N ARG A 50 -11.541 1.724 11.263 1.00 0.00 N ATOM 650 CA ARG A 50 -12.621 2.309 12.029 1.00 0.00 C ATOM 651 C ARG A 50 -12.313 2.299 13.517 1.00 0.00 C ATOM 652 O ARG A 50 -12.074 3.343 14.123 1.00 0.00 O ATOM 653 CB ARG A 50 -13.918 1.561 11.776 1.00 0.00 C ATOM 654 CG ARG A 50 -14.985 2.427 11.142 1.00 0.00 C ATOM 655 CD ARG A 50 -15.259 3.667 11.976 1.00 0.00 C ATOM 656 NE ARG A 50 -14.265 4.714 11.727 1.00 0.00 N ATOM 657 CZ ARG A 50 -14.061 5.766 12.515 1.00 0.00 C ATOM 658 NH1 ARG A 50 -14.805 5.945 13.600 1.00 0.00 N ATOM 659 NH2 ARG A 50 -13.113 6.643 12.210 1.00 0.00 N ATOM 0 H ARG A 50 -11.742 0.805 10.870 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.729 3.344 11.704 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.718 0.707 11.128 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.293 1.165 12.720 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.669 2.722 10.141 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.904 1.852 11.030 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.254 4.048 11.747 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.254 3.403 13.034 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.688 4.630 10.890 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.537 5.274 13.833 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.644 6.753 14.201 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.544 6.509 11.374 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.953 7.451 12.811 1.00 0.00 H new ATOM 673 N LYS A 51 -12.325 1.117 14.099 1.00 0.00 N ATOM 674 CA LYS A 51 -12.119 0.959 15.528 1.00 0.00 C ATOM 675 C LYS A 51 -10.864 0.157 15.836 1.00 0.00 C ATOM 676 O LYS A 51 -10.654 -0.308 16.958 1.00 0.00 O ATOM 677 CB LYS A 51 -13.371 0.376 16.131 1.00 0.00 C ATOM 678 CG LYS A 51 -14.468 1.423 16.207 1.00 0.00 C ATOM 679 CD LYS A 51 -14.295 2.306 17.433 1.00 0.00 C ATOM 680 CE LYS A 51 -13.450 3.548 17.187 1.00 0.00 C ATOM 681 NZ LYS A 51 -13.840 4.280 15.956 1.00 0.00 N ATOM 0 H LYS A 51 -12.477 0.241 13.599 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.941 1.931 15.988 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.709 -0.470 15.532 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.156 -0.006 17.129 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.452 2.037 15.307 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.441 0.933 16.242 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.279 2.613 17.789 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.837 1.719 18.229 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.538 4.216 18.044 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.402 3.259 17.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.706 5.301 16.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.248 3.963 15.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.839 4.089 15.741 1.00 0.00 H new ATOM 695 N ARG A 52 -10.047 -0.017 14.815 1.00 0.00 N ATOM 696 CA ARG A 52 -8.792 -0.737 14.933 1.00 0.00 C ATOM 697 C ARG A 52 -7.608 0.234 14.960 1.00 0.00 C ATOM 698 O ARG A 52 -6.494 -0.121 15.359 1.00 0.00 O ATOM 699 CB ARG A 52 -8.661 -1.669 13.757 1.00 0.00 C ATOM 700 CG ARG A 52 -7.450 -2.541 13.833 1.00 0.00 C ATOM 701 CD ARG A 52 -7.808 -3.887 14.404 1.00 0.00 C ATOM 702 NE ARG A 52 -6.641 -4.708 14.712 1.00 0.00 N ATOM 703 CZ ARG A 52 -6.397 -5.891 14.147 1.00 0.00 C ATOM 704 NH1 ARG A 52 -7.163 -6.338 13.157 1.00 0.00 N ATOM 705 NH2 ARG A 52 -5.375 -6.622 14.558 1.00 0.00 N ATOM 0 H ARG A 52 -10.235 0.338 13.877 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.787 -1.302 15.865 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.550 -2.297 13.697 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.622 -1.083 12.839 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.019 -2.663 12.839 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.690 -2.066 14.454 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.395 -3.745 15.312 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.442 -4.419 13.694 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.974 -4.357 15.399 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.945 -5.775 12.823 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.969 -7.244 12.731 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.773 -6.281 15.307 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.189 -7.527 14.126 1.00 0.00 H new ATOM 719 N ASP A 53 -7.879 1.448 14.489 1.00 0.00 N ATOM 720 CA ASP A 53 -6.933 2.556 14.470 1.00 0.00 C ATOM 721 C ASP A 53 -5.913 2.418 13.342 1.00 0.00 C ATOM 722 O ASP A 53 -5.868 1.400 12.655 1.00 0.00 O ATOM 723 CB ASP A 53 -6.306 2.703 15.853 1.00 0.00 C ATOM 724 CG ASP A 53 -4.921 3.320 15.874 1.00 0.00 C ATOM 725 OD1 ASP A 53 -4.790 4.536 15.599 1.00 0.00 O ATOM 726 OD2 ASP A 53 -3.950 2.584 16.142 1.00 0.00 O ATOM 0 H ASP A 53 -8.789 1.693 14.099 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.461 3.483 14.248 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.966 3.312 16.470 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.254 1.718 16.317 1.00 0.00 H new ATOM 731 N SER A 54 -5.156 3.482 13.122 1.00 0.00 N ATOM 732 CA SER A 54 -4.182 3.563 12.045 1.00 0.00 C ATOM 733 C SER A 54 -3.281 2.334 11.994 1.00 0.00 C ATOM 734 O SER A 54 -2.327 2.185 12.761 1.00 0.00 O ATOM 735 CB SER A 54 -3.349 4.839 12.154 1.00 0.00 C ATOM 736 OG SER A 54 -2.718 4.952 13.415 1.00 0.00 O ATOM 0 H SER A 54 -5.202 4.325 13.695 1.00 0.00 H new ATOM 0 HA SER A 54 -4.742 3.595 11.110 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.594 4.847 11.368 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.989 5.706 11.990 1.00 0.00 H new ATOM 0 HG SER A 54 -3.397 4.948 14.122 1.00 0.00 H new ATOM 742 N VAL A 55 -3.641 1.460 11.084 1.00 0.00 N ATOM 743 CA VAL A 55 -2.831 0.327 10.699 1.00 0.00 C ATOM 744 C VAL A 55 -1.762 0.829 9.756 1.00 0.00 C ATOM 745 O VAL A 55 -1.904 1.907 9.190 1.00 0.00 O ATOM 746 CB VAL A 55 -3.662 -0.725 9.966 1.00 0.00 C ATOM 747 CG1 VAL A 55 -2.894 -1.996 9.807 1.00 0.00 C ATOM 748 CG2 VAL A 55 -4.960 -1.008 10.673 1.00 0.00 C ATOM 0 H VAL A 55 -4.525 1.518 10.579 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.407 -0.130 11.593 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.890 -0.316 8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.507 -2.729 9.282 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.988 -1.804 9.233 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.626 -2.384 10.790 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.520 -1.761 10.118 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.754 -1.376 11.678 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.548 -0.092 10.735 1.00 0.00 H new ATOM 758 N LYS A 56 -0.697 0.083 9.576 1.00 0.00 N ATOM 759 CA LYS A 56 0.384 0.561 8.720 1.00 0.00 C ATOM 760 C LYS A 56 0.900 -0.564 7.831 1.00 0.00 C ATOM 761 O LYS A 56 1.043 -1.695 8.289 1.00 0.00 O ATOM 762 CB LYS A 56 1.588 1.105 9.500 1.00 0.00 C ATOM 763 CG LYS A 56 1.359 1.652 10.907 1.00 0.00 C ATOM 764 CD LYS A 56 0.266 2.690 11.053 1.00 0.00 C ATOM 765 CE LYS A 56 0.877 4.023 11.417 1.00 0.00 C ATOM 766 NZ LYS A 56 -0.027 4.871 12.234 1.00 0.00 N ATOM 0 H LYS A 56 -0.549 -0.835 9.995 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.052 1.372 8.137 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.325 0.305 9.571 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.037 1.900 8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.127 0.815 11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.294 2.087 11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.293 2.777 10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.442 2.381 11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.803 3.854 11.967 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.141 4.557 10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.339 5.688 11.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.856 4.314 12.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.480 5.206 13.078 1.00 0.00 H new ATOM 780 N TRP A 57 1.189 -0.257 6.570 1.00 0.00 N ATOM 781 CA TRP A 57 1.829 -1.226 5.690 1.00 0.00 C ATOM 782 C TRP A 57 3.163 -0.748 5.182 1.00 0.00 C ATOM 783 O TRP A 57 3.242 0.097 4.293 1.00 0.00 O ATOM 784 CB TRP A 57 0.933 -1.627 4.531 1.00 0.00 C ATOM 785 CG TRP A 57 0.053 -2.740 4.948 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.310 -4.069 4.834 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.197 -2.617 5.597 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.729 -4.792 5.364 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.671 -3.916 5.840 1.00 0.00 C ATOM 790 CE3 TRP A 57 -1.969 -1.529 5.986 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -2.885 -4.148 6.464 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.169 -1.765 6.599 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.615 -3.060 6.834 1.00 0.00 C ATOM 0 H TRP A 57 0.992 0.646 6.139 1.00 0.00 H new ATOM 0 HA TRP A 57 2.005 -2.111 6.302 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.333 -0.776 4.210 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.539 -1.929 3.677 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.199 -4.493 4.392 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.790 -5.810 5.398 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.629 -0.519 5.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.239 -5.151 6.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.781 -0.930 6.906 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.566 -3.207 7.323 1.00 0.00 H new ATOM 804 N HIS A 58 4.219 -1.303 5.747 1.00 0.00 N ATOM 805 CA HIS A 58 5.549 -0.961 5.312 1.00 0.00 C ATOM 806 C HIS A 58 5.781 -1.487 3.893 1.00 0.00 C ATOM 807 O HIS A 58 5.404 -2.603 3.549 1.00 0.00 O ATOM 808 CB HIS A 58 6.617 -1.500 6.272 1.00 0.00 C ATOM 809 CG HIS A 58 7.953 -0.888 6.013 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.862 -1.421 5.131 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.475 0.281 6.428 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.881 -0.589 4.992 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.672 0.450 5.777 1.00 0.00 N ATOM 0 H HIS A 58 4.177 -1.987 6.502 1.00 0.00 H new ATOM 0 HA HIS A 58 5.637 0.125 5.311 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.317 -1.297 7.300 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.687 -2.583 6.168 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.034 0.961 7.142 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.735 -0.735 4.348 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.297 1.249 5.883 1.00 0.00 H new ATOM 822 N TYR A 59 6.402 -0.646 3.084 1.00 0.00 N ATOM 823 CA TYR A 59 6.628 -0.892 1.663 1.00 0.00 C ATOM 824 C TYR A 59 7.467 -2.135 1.414 1.00 0.00 C ATOM 825 O TYR A 59 7.357 -2.770 0.371 1.00 0.00 O ATOM 826 CB TYR A 59 7.325 0.324 1.074 1.00 0.00 C ATOM 827 CG TYR A 59 6.387 1.410 0.660 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.279 1.697 1.424 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.589 2.118 -0.502 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.388 2.672 1.053 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.716 3.101 -0.888 1.00 0.00 C ATOM 832 CZ TYR A 59 4.618 3.380 -0.110 1.00 0.00 C ATOM 833 OH TYR A 59 3.759 4.369 -0.499 1.00 0.00 O ATOM 0 H TYR A 59 6.773 0.250 3.401 1.00 0.00 H new ATOM 0 HA TYR A 59 5.663 -1.062 1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.026 0.721 1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.911 0.013 0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.107 1.143 2.335 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.447 1.896 -1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.520 2.882 1.661 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.890 3.654 -1.799 1.00 0.00 H new ATOM 0 HH TYR A 59 3.907 5.166 0.052 1.00 0.00 H new ATOM 843 N LEU A 60 8.290 -2.477 2.387 1.00 0.00 N ATOM 844 CA LEU A 60 9.116 -3.678 2.326 1.00 0.00 C ATOM 845 C LEU A 60 8.287 -4.895 2.675 1.00 0.00 C ATOM 846 O LEU A 60 8.808 -5.936 3.082 1.00 0.00 O ATOM 847 CB LEU A 60 10.321 -3.565 3.255 1.00 0.00 C ATOM 848 CG LEU A 60 11.644 -3.303 2.551 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.072 -4.507 1.728 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.526 -2.084 1.677 1.00 0.00 C ATOM 0 H LEU A 60 8.408 -1.934 3.243 1.00 0.00 H new ATOM 0 HA LEU A 60 9.490 -3.786 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.139 -2.761 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.407 -4.487 3.830 1.00 0.00 H new ATOM 0 HG LEU A 60 12.408 -3.126 3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.020 -4.293 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.190 -5.371 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.313 -4.722 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.477 -1.902 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.748 -2.245 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.268 -1.220 2.290 1.00 0.00 H new ATOM 862 N CYS A 61 6.989 -4.736 2.585 1.00 0.00 N ATOM 863 CA CYS A 61 6.089 -5.812 2.875 1.00 0.00 C ATOM 864 C CYS A 61 5.078 -5.986 1.748 1.00 0.00 C ATOM 865 O CYS A 61 4.577 -7.089 1.533 1.00 0.00 O ATOM 866 CB CYS A 61 5.381 -5.553 4.199 1.00 0.00 C ATOM 867 SG CYS A 61 4.639 -7.021 4.929 1.00 0.00 S ATOM 0 H CYS A 61 6.536 -3.864 2.311 1.00 0.00 H new ATOM 0 HA CYS A 61 6.661 -6.736 2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.095 -5.130 4.905 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.604 -4.804 4.044 1.00 0.00 H new ATOM 0 HG CYS A 61 4.063 -6.704 6.051 1.00 0.00 H new ATOM 873 N LEU A 62 4.795 -4.896 1.034 1.00 0.00 N ATOM 874 CA LEU A 62 3.853 -4.907 -0.080 1.00 0.00 C ATOM 875 C LEU A 62 4.344 -5.781 -1.233 1.00 0.00 C ATOM 876 O LEU A 62 4.909 -5.268 -2.187 1.00 0.00 O ATOM 877 CB LEU A 62 3.670 -3.494 -0.642 1.00 0.00 C ATOM 878 CG LEU A 62 2.864 -2.468 0.173 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.802 -1.842 -0.705 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.208 -3.065 1.401 1.00 0.00 C ATOM 0 H LEU A 62 5.213 -3.983 1.213 1.00 0.00 H new ATOM 0 HA LEU A 62 2.917 -5.302 0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.662 -3.075 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.194 -3.587 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 62 3.573 -1.716 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.232 -1.116 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.276 -1.341 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.131 -2.618 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.655 -2.290 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.523 -3.857 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.973 -3.479 2.058 1.00 0.00 H new ATOM 892 N ARG A 63 4.119 -7.084 -1.157 1.00 0.00 N ATOM 893 CA ARG A 63 4.444 -7.976 -2.260 1.00 0.00 C ATOM 894 C ARG A 63 3.719 -7.528 -3.517 1.00 0.00 C ATOM 895 O ARG A 63 4.351 -7.193 -4.512 1.00 0.00 O ATOM 896 CB ARG A 63 4.051 -9.425 -1.978 1.00 0.00 C ATOM 897 CG ARG A 63 4.859 -10.136 -0.908 1.00 0.00 C ATOM 898 CD ARG A 63 4.614 -11.631 -1.018 1.00 0.00 C ATOM 899 NE ARG A 63 5.038 -12.389 0.154 1.00 0.00 N ATOM 900 CZ ARG A 63 4.368 -13.445 0.615 1.00 0.00 C ATOM 901 NH1 ARG A 63 3.214 -13.797 0.052 1.00 0.00 N ATOM 902 NH2 ARG A 63 4.844 -14.137 1.637 1.00 0.00 N ATOM 0 H ARG A 63 3.713 -7.547 -0.344 1.00 0.00 H new ATOM 0 HA ARG A 63 5.525 -7.930 -2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.001 -9.446 -1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.136 -9.991 -2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.920 -9.918 -1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.572 -9.779 0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.551 -11.803 -1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.139 -12.012 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 63 5.885 -12.098 0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.844 -13.259 -0.731 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.700 -14.605 0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.724 -13.863 2.073 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.331 -14.945 1.989 1.00 0.00 H new ATOM 916 N ARG A 64 2.386 -7.507 -3.466 1.00 0.00 N ATOM 917 CA ARG A 64 1.615 -7.153 -4.653 1.00 0.00 C ATOM 918 C ARG A 64 0.500 -6.164 -4.354 1.00 0.00 C ATOM 919 O ARG A 64 -0.421 -6.456 -3.621 1.00 0.00 O ATOM 920 CB ARG A 64 1.073 -8.412 -5.336 1.00 0.00 C ATOM 921 CG ARG A 64 0.020 -9.219 -4.620 1.00 0.00 C ATOM 922 CD ARG A 64 -0.310 -10.431 -5.473 1.00 0.00 C ATOM 923 NE ARG A 64 -0.451 -11.657 -4.695 1.00 0.00 N ATOM 924 CZ ARG A 64 -0.162 -12.867 -5.163 1.00 0.00 C ATOM 925 NH1 ARG A 64 0.280 -13.016 -6.406 1.00 0.00 N ATOM 926 NH2 ARG A 64 -0.306 -13.924 -4.385 1.00 0.00 N ATOM 0 H ARG A 64 1.832 -7.725 -2.638 1.00 0.00 H new ATOM 0 HA ARG A 64 2.295 -6.649 -5.340 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.664 -8.116 -6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.918 -9.071 -5.536 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.381 -9.531 -3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.873 -8.617 -4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.236 -10.244 -6.016 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.474 -10.568 -6.217 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.791 -11.581 -3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.399 -12.200 -7.006 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.501 -13.947 -6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.638 -13.811 -3.427 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.085 -14.854 -4.742 1.00 0.00 H new ATOM 940 N TYR A 65 0.564 -5.014 -4.997 1.00 0.00 N ATOM 941 CA TYR A 65 -0.330 -3.906 -4.698 1.00 0.00 C ATOM 942 C TYR A 65 -0.987 -3.400 -5.958 1.00 0.00 C ATOM 943 O TYR A 65 -0.360 -3.351 -7.007 1.00 0.00 O ATOM 944 CB TYR A 65 0.427 -2.788 -3.983 1.00 0.00 C ATOM 945 CG TYR A 65 1.718 -2.376 -4.653 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.827 -3.210 -4.641 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.837 -1.148 -5.278 1.00 0.00 C ATOM 948 CE1 TYR A 65 4.004 -2.830 -5.242 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.003 -0.762 -5.869 1.00 0.00 C ATOM 950 CZ TYR A 65 4.089 -1.602 -5.856 1.00 0.00 C ATOM 951 OH TYR A 65 5.265 -1.212 -6.459 1.00 0.00 O ATOM 0 H TYR A 65 1.235 -4.819 -5.740 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.115 -4.262 -4.031 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.223 -1.916 -3.909 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.647 -3.109 -2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.765 -4.171 -4.153 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.988 -0.481 -5.298 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.857 -3.492 -5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.073 0.204 -6.347 1.00 0.00 H new ATOM 0 HH TYR A 65 5.877 -0.855 -5.782 1.00 0.00 H new ATOM 961 N GLY A 66 -2.253 -3.034 -5.857 1.00 0.00 N ATOM 962 CA GLY A 66 -3.027 -2.817 -7.050 1.00 0.00 C ATOM 963 C GLY A 66 -4.092 -1.771 -6.936 1.00 0.00 C ATOM 964 O GLY A 66 -4.175 -1.022 -5.964 1.00 0.00 O ATOM 0 H GLY A 66 -2.751 -2.885 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.350 -2.537 -7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.494 -3.759 -7.337 1.00 0.00 H new ATOM 968 N TYR A 67 -4.951 -1.818 -7.927 1.00 0.00 N ATOM 969 CA TYR A 67 -5.990 -0.835 -8.155 1.00 0.00 C ATOM 970 C TYR A 67 -7.001 -1.414 -9.138 1.00 0.00 C ATOM 971 O TYR A 67 -6.616 -1.904 -10.202 1.00 0.00 O ATOM 972 CB TYR A 67 -5.375 0.440 -8.745 1.00 0.00 C ATOM 973 CG TYR A 67 -6.277 1.156 -9.730 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.528 1.600 -9.340 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.877 1.396 -11.039 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.361 2.257 -10.212 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.707 2.055 -11.927 1.00 0.00 C ATOM 978 CZ TYR A 67 -7.950 2.485 -11.507 1.00 0.00 C ATOM 979 OH TYR A 67 -8.786 3.146 -12.382 1.00 0.00 O ATOM 0 H TYR A 67 -4.948 -2.565 -8.621 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.481 -0.590 -7.213 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.127 1.122 -7.932 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.440 0.184 -9.243 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.857 1.426 -8.326 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.904 1.063 -11.368 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.334 2.593 -9.884 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.385 2.232 -12.943 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.059 4.002 -11.990 1.00 0.00 H new ATOM 989 N ASP A 68 -8.273 -1.402 -8.781 1.00 0.00 N ATOM 990 CA ASP A 68 -9.309 -1.698 -9.746 1.00 0.00 C ATOM 991 C ASP A 68 -10.630 -1.079 -9.355 1.00 0.00 C ATOM 992 O ASP A 68 -11.185 -1.455 -8.345 1.00 0.00 O ATOM 993 CB ASP A 68 -9.498 -3.181 -9.911 1.00 0.00 C ATOM 994 CG ASP A 68 -10.382 -3.477 -11.122 1.00 0.00 C ATOM 995 OD1 ASP A 68 -9.831 -3.530 -12.245 1.00 0.00 O ATOM 996 OD2 ASP A 68 -11.616 -3.627 -10.979 1.00 0.00 O ATOM 0 H ASP A 68 -8.608 -1.193 -7.841 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.980 -1.268 -10.692 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.529 -3.665 -10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.952 -3.598 -9.012 1.00 0.00 H new ATOM 1001 N SER A 69 -11.119 -0.128 -10.148 1.00 0.00 N ATOM 1002 CA SER A 69 -12.436 0.466 -9.931 1.00 0.00 C ATOM 1003 C SER A 69 -12.680 0.750 -8.448 1.00 0.00 C ATOM 1004 O SER A 69 -13.406 0.008 -7.780 1.00 0.00 O ATOM 1005 CB SER A 69 -13.519 -0.466 -10.487 1.00 0.00 C ATOM 1006 OG SER A 69 -14.816 0.092 -10.340 1.00 0.00 O ATOM 0 H SER A 69 -10.618 0.250 -10.952 1.00 0.00 H new ATOM 0 HA SER A 69 -12.477 1.419 -10.458 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.324 -0.662 -11.541 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.474 -1.425 -9.971 1.00 0.00 H new ATOM 0 HG SER A 69 -15.482 -0.527 -10.706 1.00 0.00 H new ATOM 1012 N ASN A 70 -12.053 1.818 -7.946 1.00 0.00 N ATOM 1013 CA ASN A 70 -12.084 2.185 -6.521 1.00 0.00 C ATOM 1014 C ASN A 70 -11.768 1.006 -5.585 1.00 0.00 C ATOM 1015 O ASN A 70 -12.280 0.935 -4.479 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.398 2.866 -6.102 1.00 0.00 C ATOM 1017 CG ASN A 70 -14.665 2.068 -6.353 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -15.097 1.269 -5.520 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -15.284 2.310 -7.493 1.00 0.00 N ATOM 0 H ASN A 70 -11.504 2.459 -8.519 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.283 2.916 -6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.342 3.098 -5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.478 3.815 -6.632 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.155 1.827 -7.713 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.891 2.980 -8.155 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.914 0.092 -6.028 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.386 -0.967 -5.163 1.00 0.00 C ATOM 1028 C LEU A 71 -8.841 -0.890 -5.184 1.00 0.00 C ATOM 1029 O LEU A 71 -8.239 -1.154 -6.213 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.835 -2.354 -5.704 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.706 -3.257 -4.798 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.397 -4.747 -4.948 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.582 -2.881 -3.346 1.00 0.00 C ATOM 0 H LEU A 71 -10.568 0.059 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.759 -0.839 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.385 -2.186 -6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.937 -2.914 -5.964 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.728 -3.087 -5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.044 -5.321 -4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.572 -5.053 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.355 -4.930 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.209 -3.539 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.543 -2.982 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.904 -1.849 -3.209 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.192 -0.525 -4.076 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.719 -0.552 -4.011 1.00 0.00 C ATOM 1047 C PHE A 72 -6.295 -1.700 -3.117 1.00 0.00 C ATOM 1048 O PHE A 72 -6.905 -1.943 -2.082 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.105 0.791 -3.528 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.046 0.691 -2.457 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.405 0.656 -1.128 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.690 0.664 -2.767 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.450 0.598 -0.150 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.746 0.611 -1.787 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.124 0.581 -0.491 1.00 0.00 C ATOM 0 H PHE A 72 -8.650 -0.211 -3.220 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.337 -0.700 -5.021 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.674 1.301 -4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.911 1.422 -3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.450 0.675 -0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.381 0.685 -3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.742 0.566 0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.698 0.593 -2.046 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.373 0.543 0.284 1.00 0.00 H new ATOM 1065 N SER A 73 -5.273 -2.415 -3.518 1.00 0.00 N ATOM 1066 CA SER A 73 -4.873 -3.598 -2.790 1.00 0.00 C ATOM 1067 C SER A 73 -3.367 -3.646 -2.577 1.00 0.00 C ATOM 1068 O SER A 73 -2.626 -2.885 -3.190 1.00 0.00 O ATOM 1069 CB SER A 73 -5.337 -4.828 -3.552 1.00 0.00 C ATOM 1070 OG SER A 73 -4.897 -6.025 -2.941 1.00 0.00 O ATOM 0 H SER A 73 -4.705 -2.202 -4.338 1.00 0.00 H new ATOM 0 HA SER A 73 -5.337 -3.572 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.425 -4.829 -3.611 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.963 -4.784 -4.575 1.00 0.00 H new ATOM 0 HG SER A 73 -5.252 -6.076 -2.029 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.941 -4.527 -1.680 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.538 -4.867 -1.507 1.00 0.00 C ATOM 1078 C PHE A 74 -1.413 -6.206 -0.767 1.00 0.00 C ATOM 1079 O PHE A 74 -2.216 -6.517 0.114 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.772 -3.754 -0.790 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.409 -3.224 0.454 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.697 -4.067 1.509 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.697 -1.872 0.578 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.262 -3.584 2.658 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.256 -1.388 1.739 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.539 -2.242 2.774 1.00 0.00 C ATOM 0 H PHE A 74 -3.566 -5.028 -1.048 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.085 -4.973 -2.493 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.221 -4.126 -0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.634 -2.927 -1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.474 -5.120 1.426 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.482 -1.198 -0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.490 -4.256 3.472 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.472 -0.334 1.835 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.981 -1.860 3.682 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.454 -7.025 -1.178 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.158 -8.265 -0.486 1.00 0.00 C ATOM 1098 C GLU A 75 0.962 -8.040 0.485 1.00 0.00 C ATOM 1099 O GLU A 75 2.095 -7.873 0.065 1.00 0.00 O ATOM 1100 CB GLU A 75 0.265 -9.375 -1.432 1.00 0.00 C ATOM 1101 CG GLU A 75 0.552 -10.689 -0.713 1.00 0.00 C ATOM 1102 CD GLU A 75 0.753 -11.854 -1.655 1.00 0.00 C ATOM 1103 OE1 GLU A 75 1.880 -12.039 -2.150 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -0.216 -12.601 -1.893 1.00 0.00 O ATOM 0 H GLU A 75 0.134 -6.848 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.075 -8.571 0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.520 -9.535 -2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.156 -9.062 -1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.443 -10.571 -0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.274 -10.914 -0.039 1.00 0.00 H new ATOM 1111 N SER A 76 0.682 -8.029 1.759 1.00 0.00 N ATOM 1112 CA SER A 76 1.744 -7.856 2.711 1.00 0.00 C ATOM 1113 C SER A 76 2.326 -9.228 3.069 1.00 0.00 C ATOM 1114 O SER A 76 1.604 -10.154 3.445 1.00 0.00 O ATOM 1115 CB SER A 76 1.218 -7.078 3.917 1.00 0.00 C ATOM 1116 OG SER A 76 0.183 -7.779 4.585 1.00 0.00 O ATOM 0 H SER A 76 -0.251 -8.135 2.156 1.00 0.00 H new ATOM 0 HA SER A 76 2.561 -7.268 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.036 -6.888 4.612 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.847 -6.107 3.589 1.00 0.00 H new ATOM 0 HG SER A 76 0.286 -8.741 4.428 1.00 0.00 H new ATOM 1250 N ILE A 86 -3.232 -10.849 0.959 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.852 -9.862 0.086 1.00 0.00 C ATOM 1252 C ILE A 86 -4.882 -9.074 0.877 1.00 0.00 C ATOM 1253 O ILE A 86 -5.915 -9.614 1.276 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.570 -10.475 -1.138 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -3.592 -11.167 -2.090 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.333 -9.389 -1.875 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -2.512 -10.256 -2.628 1.00 0.00 C ATOM 0 HA ILE A 86 -3.042 -9.234 -0.285 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.262 -11.235 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.123 -12.002 -1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.150 -11.586 -2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.839 -9.822 -2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.071 -8.945 -1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.638 -8.619 -2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.859 -10.820 -3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.970 -9.434 -3.178 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.927 -9.857 -1.800 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.602 -7.815 1.123 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.553 -6.971 1.808 1.00 0.00 C ATOM 1271 C PHE A 87 -5.909 -5.799 0.918 1.00 0.00 C ATOM 1272 O PHE A 87 -5.083 -4.929 0.640 1.00 0.00 O ATOM 1273 CB PHE A 87 -4.985 -6.518 3.157 1.00 0.00 C ATOM 1274 CG PHE A 87 -6.005 -5.995 4.140 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.337 -6.385 4.085 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.618 -5.114 5.130 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.252 -5.898 5.001 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.529 -4.626 6.046 1.00 0.00 C ATOM 1279 CZ PHE A 87 -7.843 -5.013 5.984 1.00 0.00 C ATOM 0 H PHE A 87 -3.730 -7.355 0.861 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.466 -7.529 2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.461 -7.358 3.613 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.244 -5.739 2.978 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.661 -7.075 3.320 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.586 -4.801 5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.285 -6.208 4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.206 -3.938 6.813 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.556 -4.629 6.699 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.136 -5.816 0.436 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.599 -4.817 -0.494 1.00 0.00 C ATOM 1291 C ALA A 88 -8.628 -3.902 0.172 1.00 0.00 C ATOM 1292 O ALA A 88 -9.422 -4.329 1.016 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.173 -5.486 -1.727 1.00 0.00 C ATOM 0 H ALA A 88 -7.833 -6.520 0.679 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.756 -4.198 -0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.521 -4.725 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.403 -6.091 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -9.009 -6.124 -1.439 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.598 -2.641 -0.198 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.530 -1.667 0.326 1.00 0.00 C ATOM 1301 C PHE A 89 -10.219 -1.029 -0.842 1.00 0.00 C ATOM 1302 O PHE A 89 -9.614 -0.810 -1.885 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.834 -0.590 1.155 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.758 -1.139 2.005 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.523 -1.299 1.463 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.976 -1.508 3.317 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.498 -1.823 2.194 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.953 -2.033 4.070 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.707 -2.195 3.506 1.00 0.00 C ATOM 0 H PHE A 89 -7.929 -2.262 -0.869 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.236 -2.171 0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.417 0.165 0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.569 -0.088 1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.350 -1.007 0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.956 -1.384 3.754 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.523 -1.947 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.125 -2.317 5.098 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.898 -2.611 4.088 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.468 -0.740 -0.684 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.207 -0.095 -1.716 1.00 0.00 C ATOM 1321 C LYS A 90 -11.916 1.394 -1.639 1.00 0.00 C ATOM 1322 O LYS A 90 -12.609 2.154 -0.969 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.670 -0.389 -1.544 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.443 -0.457 -2.827 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.712 -1.260 -2.672 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.498 -0.798 -1.475 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.722 -1.620 -1.281 1.00 0.00 N ATOM 0 H LYS A 90 -12.003 -0.943 0.160 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.916 -0.462 -2.700 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.778 -1.338 -1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.110 0.380 -0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.689 0.552 -3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.822 -0.904 -3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.321 -1.163 -3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.467 -2.317 -2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.874 -0.856 -0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.776 0.248 -1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.882 -1.770 -0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.540 -1.126 -1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.601 -2.539 -1.752 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.848 1.777 -2.298 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.335 3.129 -2.230 1.00 0.00 C ATOM 1343 C CYS A 91 -10.741 3.858 -3.499 1.00 0.00 C ATOM 1344 O CYS A 91 -10.342 3.459 -4.582 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.810 3.070 -2.106 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.245 1.622 -1.204 1.00 0.00 S ATOM 0 H CYS A 91 -10.306 1.158 -2.900 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.738 3.659 -1.367 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.368 3.068 -3.102 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.455 3.969 -1.602 1.00 0.00 H new ATOM 0 HG CYS A 91 -6.982 1.751 -0.923 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.555 4.895 -3.391 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.000 5.606 -4.581 1.00 0.00 C ATOM 1354 C ALA A 92 -10.837 6.292 -5.278 1.00 0.00 C ATOM 1355 O ALA A 92 -10.869 6.520 -6.488 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.099 6.592 -4.266 1.00 0.00 C ATOM 0 H ALA A 92 -11.916 5.259 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.413 4.864 -5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.403 7.102 -5.180 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.953 6.062 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.735 7.325 -3.546 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.806 6.618 -4.512 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.541 7.020 -5.099 1.00 0.00 C ATOM 1364 C ARG A 93 -7.620 5.820 -5.188 1.00 0.00 C ATOM 1365 O ARG A 93 -6.445 5.957 -4.963 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.822 8.116 -4.292 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.157 9.545 -4.682 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.641 9.846 -4.588 1.00 0.00 C ATOM 1369 NE ARG A 93 -9.904 11.283 -4.676 1.00 0.00 N ATOM 1370 CZ ARG A 93 -10.221 12.044 -3.628 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -10.342 11.504 -2.423 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -10.414 13.348 -3.786 1.00 0.00 N ATOM 0 H ARG A 93 -9.822 6.612 -3.492 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.771 7.424 -6.085 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.061 7.981 -3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.747 7.973 -4.396 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.610 10.231 -4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.817 9.728 -5.701 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.170 9.329 -5.389 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.033 9.460 -3.647 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.841 11.728 -5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.192 10.503 -2.295 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.585 12.089 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.320 13.769 -4.710 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.656 13.929 -2.983 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.159 4.642 -5.476 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.339 3.434 -5.607 1.00 0.00 C ATOM 1388 C ALA A 94 -6.235 3.662 -6.600 1.00 0.00 C ATOM 1389 O ALA A 94 -5.071 3.491 -6.303 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.164 2.276 -6.115 1.00 0.00 C ATOM 0 H ALA A 94 -9.157 4.493 -5.624 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.936 3.207 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.533 1.391 -6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.976 2.074 -5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.579 2.525 -7.092 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.657 4.006 -7.797 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.756 4.375 -8.888 1.00 0.00 C ATOM 1398 C GLU A 95 -4.674 5.313 -8.401 1.00 0.00 C ATOM 1399 O GLU A 95 -3.487 5.030 -8.506 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.558 5.047 -10.001 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.783 5.796 -9.498 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.639 6.328 -10.619 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -9.476 5.558 -11.139 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -8.484 7.516 -10.980 1.00 0.00 O ATOM 0 H GLU A 95 -7.644 4.040 -8.052 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.280 3.471 -9.268 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.911 5.742 -10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.874 4.290 -10.719 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.380 5.131 -8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.463 6.624 -8.866 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.128 6.416 -7.857 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.277 7.439 -7.287 1.00 0.00 C ATOM 1413 C GLU A 96 -3.372 6.871 -6.203 1.00 0.00 C ATOM 1414 O GLU A 96 -2.166 7.077 -6.216 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.191 8.495 -6.686 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.527 9.804 -6.372 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.965 10.479 -7.599 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -2.845 10.136 -8.021 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -4.661 11.339 -8.170 1.00 0.00 O ATOM 0 H GLU A 96 -6.122 6.635 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.633 7.857 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.013 8.679 -7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.628 8.097 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.248 10.468 -5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.724 9.637 -5.654 1.00 0.00 H new ATOM 1426 N LEU A 97 -3.983 6.167 -5.269 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.310 5.597 -4.136 1.00 0.00 C ATOM 1428 C LEU A 97 -2.297 4.568 -4.569 1.00 0.00 C ATOM 1429 O LEU A 97 -1.111 4.713 -4.308 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.348 4.955 -3.244 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.988 4.951 -1.788 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.226 4.978 -0.967 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.238 3.697 -1.467 1.00 0.00 C ATOM 0 H LEU A 97 -4.985 5.976 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.776 6.381 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.295 5.479 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.506 3.927 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.376 5.826 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.961 4.975 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.795 5.879 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.831 4.100 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.975 3.691 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.863 2.832 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.329 3.653 -2.067 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.778 3.532 -5.228 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.920 2.503 -5.756 1.00 0.00 C ATOM 1447 C PHE A 98 -0.745 3.147 -6.476 1.00 0.00 C ATOM 1448 O PHE A 98 0.401 2.891 -6.135 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.703 1.579 -6.700 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.815 0.847 -7.643 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.852 0.018 -7.139 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.891 1.040 -9.013 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.038 -0.607 -7.961 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -1.010 0.393 -9.856 1.00 0.00 C ATOM 1455 CZ PHE A 98 -0.036 -0.429 -9.323 1.00 0.00 C ATOM 0 H PHE A 98 -3.771 3.385 -5.409 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.541 1.893 -4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.273 0.861 -6.111 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.423 2.169 -7.267 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.795 -0.144 -6.073 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.642 1.699 -9.423 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.803 -1.244 -7.542 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.082 0.528 -10.925 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.665 -0.930 -9.974 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.061 4.011 -7.437 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.059 4.793 -8.169 1.00 0.00 C ATOM 1467 C ASN A 99 0.901 5.453 -7.228 1.00 0.00 C ATOM 1468 O ASN A 99 2.074 5.116 -7.243 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.730 5.871 -9.018 1.00 0.00 C ATOM 1470 CG ASN A 99 0.129 6.304 -10.186 1.00 0.00 C ATOM 1471 OD1 ASN A 99 1.354 6.243 -10.125 1.00 0.00 O ATOM 1472 ND2 ASN A 99 -0.502 6.759 -11.253 1.00 0.00 N ATOM 0 H ASN A 99 -2.020 4.192 -7.733 1.00 0.00 H new ATOM 0 HA ASN A 99 0.484 4.101 -8.813 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.683 5.495 -9.391 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.951 6.736 -8.393 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.030 7.075 -12.064 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.521 6.794 -11.266 1.00 0.00 H new ATOM 1479 N MET A 100 0.393 6.365 -6.412 1.00 0.00 N ATOM 1480 CA MET A 100 1.211 7.119 -5.480 1.00 0.00 C ATOM 1481 C MET A 100 2.163 6.175 -4.777 1.00 0.00 C ATOM 1482 O MET A 100 3.376 6.347 -4.825 1.00 0.00 O ATOM 1483 CB MET A 100 0.310 7.815 -4.471 1.00 0.00 C ATOM 1484 CG MET A 100 1.038 8.775 -3.562 1.00 0.00 C ATOM 1485 SD MET A 100 0.232 8.967 -1.982 1.00 0.00 S ATOM 1486 CE MET A 100 -1.405 9.313 -2.556 1.00 0.00 C ATOM 0 H MET A 100 -0.599 6.601 -6.379 1.00 0.00 H new ATOM 0 HA MET A 100 1.790 7.873 -6.014 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.469 8.357 -5.007 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.188 7.061 -3.862 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.057 8.420 -3.406 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.111 9.747 -4.049 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.073 9.430 -1.702 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.399 10.233 -3.141 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.754 8.489 -3.179 1.00 0.00 H new ATOM 1496 N LEU A 101 1.586 5.161 -4.168 1.00 0.00 N ATOM 1497 CA LEU A 101 2.328 4.051 -3.591 1.00 0.00 C ATOM 1498 C LEU A 101 3.427 3.525 -4.527 1.00 0.00 C ATOM 1499 O LEU A 101 4.591 3.496 -4.133 1.00 0.00 O ATOM 1500 CB LEU A 101 1.330 2.941 -3.239 1.00 0.00 C ATOM 1501 CG LEU A 101 1.877 1.531 -3.091 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.906 1.454 -1.996 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.733 0.579 -2.818 1.00 0.00 C ATOM 0 H LEU A 101 0.575 5.080 -4.056 1.00 0.00 H new ATOM 0 HA LEU A 101 2.842 4.400 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.840 3.212 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.559 2.924 -4.009 1.00 0.00 H new ATOM 0 HG LEU A 101 2.372 1.247 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.277 0.432 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.734 2.124 -2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.453 1.750 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.120 -0.434 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.227 0.873 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.027 0.612 -3.648 1.00 0.00 H new ATOM 1515 N GLN A 102 3.082 3.114 -5.755 1.00 0.00 N ATOM 1516 CA GLN A 102 4.098 2.579 -6.667 1.00 0.00 C ATOM 1517 C GLN A 102 5.181 3.628 -6.937 1.00 0.00 C ATOM 1518 O GLN A 102 6.358 3.291 -7.041 1.00 0.00 O ATOM 1519 CB GLN A 102 3.551 2.077 -8.013 1.00 0.00 C ATOM 1520 CG GLN A 102 2.082 2.044 -8.166 1.00 0.00 C ATOM 1521 CD GLN A 102 1.690 2.183 -9.619 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.654 2.743 -9.961 1.00 0.00 O ATOM 1523 NE2 GLN A 102 2.535 1.683 -10.485 1.00 0.00 N ATOM 0 H GLN A 102 2.134 3.140 -6.131 1.00 0.00 H new ATOM 0 HA GLN A 102 4.508 1.711 -6.151 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.960 2.708 -8.802 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.932 1.070 -8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.691 1.108 -7.767 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.633 2.850 -7.585 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.386 1.224 -10.161 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.342 1.752 -11.484 1.00 0.00 H new ATOM 1532 N GLU A 103 4.784 4.902 -7.042 1.00 0.00 N ATOM 1533 CA GLU A 103 5.752 5.979 -7.262 1.00 0.00 C ATOM 1534 C GLU A 103 6.626 6.163 -6.042 1.00 0.00 C ATOM 1535 O GLU A 103 7.830 6.282 -6.169 1.00 0.00 O ATOM 1536 CB GLU A 103 5.104 7.329 -7.578 1.00 0.00 C ATOM 1537 CG GLU A 103 3.618 7.318 -7.772 1.00 0.00 C ATOM 1538 CD GLU A 103 3.096 8.672 -8.197 1.00 0.00 C ATOM 1539 OE1 GLU A 103 3.064 9.593 -7.351 1.00 0.00 O ATOM 1540 OE2 GLU A 103 2.736 8.836 -9.382 1.00 0.00 O ATOM 0 H GLU A 103 3.813 5.208 -6.979 1.00 0.00 H new ATOM 0 HA GLU A 103 6.336 5.669 -8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.339 8.020 -6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.565 7.728 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.355 6.575 -8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.133 7.017 -6.844 1.00 0.00 H new ATOM 1547 N ILE A 104 6.027 6.209 -4.860 1.00 0.00 N ATOM 1548 CA ILE A 104 6.805 6.295 -3.633 1.00 0.00 C ATOM 1549 C ILE A 104 7.758 5.115 -3.559 1.00 0.00 C ATOM 1550 O ILE A 104 8.923 5.252 -3.178 1.00 0.00 O ATOM 1551 CB ILE A 104 5.924 6.322 -2.373 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.204 7.650 -2.254 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.775 6.098 -1.154 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.714 7.523 -2.213 1.00 0.00 C ATOM 0 H ILE A 104 5.016 6.188 -4.725 1.00 0.00 H new ATOM 0 HA ILE A 104 7.356 7.235 -3.662 1.00 0.00 H new ATOM 0 HB ILE A 104 5.181 5.528 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.542 8.157 -1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.483 8.282 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.147 6.118 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.269 5.129 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.527 6.884 -1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.267 8.513 -2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.364 7.045 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.424 6.918 -1.354 1.00 0.00 H new ATOM 1566 N MET A 105 7.254 3.960 -3.972 1.00 0.00 N ATOM 1567 CA MET A 105 8.058 2.760 -4.087 1.00 0.00 C ATOM 1568 C MET A 105 9.228 2.980 -5.038 1.00 0.00 C ATOM 1569 O MET A 105 10.250 2.305 -4.967 1.00 0.00 O ATOM 1570 CB MET A 105 7.216 1.607 -4.597 1.00 0.00 C ATOM 1571 CG MET A 105 6.266 1.062 -3.562 1.00 0.00 C ATOM 1572 SD MET A 105 6.204 -0.728 -3.606 1.00 0.00 S ATOM 1573 CE MET A 105 5.153 -1.025 -2.209 1.00 0.00 C ATOM 0 H MET A 105 6.277 3.833 -4.236 1.00 0.00 H new ATOM 0 HA MET A 105 8.443 2.521 -3.096 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.646 1.938 -5.465 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.874 0.806 -4.934 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.577 1.392 -2.571 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.268 1.466 -3.734 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.652 -1.702 -1.516 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.941 -0.082 -1.706 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.219 -1.474 -2.546 1.00 0.00 H new ATOM 1583 N GLN A 106 9.036 3.925 -5.938 1.00 0.00 N ATOM 1584 CA GLN A 106 10.009 4.274 -6.954 1.00 0.00 C ATOM 1585 C GLN A 106 10.965 5.361 -6.481 1.00 0.00 C ATOM 1586 O GLN A 106 12.092 5.458 -6.963 1.00 0.00 O ATOM 1587 CB GLN A 106 9.265 4.769 -8.185 1.00 0.00 C ATOM 1588 CG GLN A 106 8.743 3.659 -9.058 1.00 0.00 C ATOM 1589 CD GLN A 106 9.861 2.872 -9.684 1.00 0.00 C ATOM 1590 OE1 GLN A 106 10.314 3.180 -10.787 1.00 0.00 O ATOM 1591 NE2 GLN A 106 10.326 1.864 -8.980 1.00 0.00 N ATOM 0 H GLN A 106 8.183 4.482 -5.984 1.00 0.00 H new ATOM 0 HA GLN A 106 10.601 3.387 -7.179 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.430 5.394 -7.868 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.931 5.400 -8.773 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.117 2.993 -8.464 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.110 4.078 -9.840 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.919 1.646 -8.070 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.094 1.300 -9.343 1.00 0.00 H new ATOM 1600 N ASN A 107 10.516 6.174 -5.534 1.00 0.00 N ATOM 1601 CA ASN A 107 11.193 7.429 -5.253 1.00 0.00 C ATOM 1602 C ASN A 107 11.601 7.595 -3.787 1.00 0.00 C ATOM 1603 O ASN A 107 12.057 8.665 -3.386 1.00 0.00 O ATOM 1604 CB ASN A 107 10.311 8.596 -5.727 1.00 0.00 C ATOM 1605 CG ASN A 107 8.973 8.710 -5.027 1.00 0.00 C ATOM 1606 OD1 ASN A 107 8.845 8.496 -3.824 1.00 0.00 O ATOM 1607 ND2 ASN A 107 7.950 9.023 -5.809 1.00 0.00 N ATOM 0 H ASN A 107 9.697 5.989 -4.955 1.00 0.00 H new ATOM 0 HA ASN A 107 12.132 7.424 -5.807 1.00 0.00 H new ATOM 0 HB2 ASN A 107 10.859 9.527 -5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.136 8.489 -6.798 1.00 0.00 H new ATOM 0 HD21 ASN A 107 7.011 9.094 -5.417 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.101 9.193 -6.803 1.00 0.00 H new ATOM 1614 N ASN A 108 11.443 6.554 -2.981 1.00 0.00 N ATOM 1615 CA ASN A 108 11.969 6.588 -1.617 1.00 0.00 C ATOM 1616 C ASN A 108 12.983 5.485 -1.379 1.00 0.00 C ATOM 1617 O ASN A 108 13.806 5.590 -0.471 1.00 0.00 O ATOM 1618 CB ASN A 108 10.867 6.499 -0.559 1.00 0.00 C ATOM 1619 CG ASN A 108 10.197 7.837 -0.316 1.00 0.00 C ATOM 1620 OD1 ASN A 108 10.639 8.611 0.527 1.00 0.00 O ATOM 1621 ND2 ASN A 108 9.144 8.134 -1.055 1.00 0.00 N ATOM 0 H ASN A 108 10.965 5.690 -3.238 1.00 0.00 H new ATOM 0 HA ASN A 108 12.461 7.555 -1.516 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.119 5.772 -0.876 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.292 6.132 0.375 1.00 0.00 H new ATOM 0 HD21 ASN A 108 8.672 9.030 -0.934 1.00 0.00 H new ATOM 0 HD22 ASN A 108 8.802 7.467 -1.747 1.00 0.00 H new ATOM 1628 N SER A 109 12.894 4.419 -2.177 1.00 0.00 N ATOM 1629 CA SER A 109 13.747 3.229 -2.027 1.00 0.00 C ATOM 1630 C SER A 109 13.354 2.442 -0.771 1.00 0.00 C ATOM 1631 O SER A 109 13.535 1.226 -0.713 1.00 0.00 O ATOM 1632 CB SER A 109 15.232 3.612 -1.991 1.00 0.00 C ATOM 1633 OG SER A 109 15.605 4.324 -3.164 1.00 0.00 O ATOM 0 H SER A 109 12.229 4.352 -2.948 1.00 0.00 H new ATOM 0 HA SER A 109 13.592 2.590 -2.896 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.432 4.224 -1.111 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.841 2.713 -1.899 1.00 0.00 H new ATOM 0 HG SER A 109 16.555 4.558 -3.116 1.00 0.00 H new ATOM 1639 N ILE A 110 12.809 3.154 0.217 1.00 0.00 N ATOM 1640 CA ILE A 110 12.149 2.555 1.366 1.00 0.00 C ATOM 1641 C ILE A 110 13.085 1.694 2.211 1.00 0.00 C ATOM 1642 O ILE A 110 13.386 0.544 1.870 1.00 0.00 O ATOM 1643 CB ILE A 110 10.930 1.716 0.966 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.819 2.572 0.380 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.415 0.982 2.172 1.00 0.00 C ATOM 1646 CD1 ILE A 110 10.096 3.136 -0.985 1.00 0.00 C ATOM 0 H ILE A 110 12.816 4.174 0.237 1.00 0.00 H new ATOM 0 HA ILE A 110 11.820 3.402 1.969 1.00 0.00 H new ATOM 0 HB ILE A 110 11.246 1.011 0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.909 1.974 0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.620 3.398 1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.548 0.384 1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.196 0.328 2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.127 1.700 2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 110 9.243 3.730 -1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.984 3.767 -0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 110 10.262 2.320 -1.689 1.00 0.00 H new ATOM 1884 N ALA B 496 -4.008 -10.313 -9.601 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.260 -9.642 -9.384 1.00 0.00 C ATOM 1886 C ALA B 496 -5.942 -10.236 -8.176 1.00 0.00 C ATOM 1887 O ALA B 496 -6.154 -11.445 -8.086 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.151 -9.659 -10.601 1.00 0.00 C ATOM 0 HA ALA B 496 -5.053 -8.589 -9.194 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -7.082 -9.138 -10.378 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.646 -9.161 -11.429 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.370 -10.690 -10.877 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.174 -9.382 -7.208 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.911 -9.762 -6.015 1.00 0.00 C ATOM 1896 C VAL B 497 -8.375 -9.604 -6.300 1.00 0.00 C ATOM 1897 O VAL B 497 -8.857 -8.516 -6.573 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.489 -8.921 -4.764 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.284 -8.092 -5.083 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.610 -8.018 -4.247 1.00 0.00 C ATOM 0 H VAL B 497 -5.862 -8.411 -7.219 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.682 -10.800 -5.772 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.257 -9.634 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -4.999 -7.511 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.459 -8.744 -5.370 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.515 -7.416 -5.906 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.257 -7.461 -3.379 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.906 -7.321 -5.031 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.467 -8.629 -3.962 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.105 -10.675 -6.312 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.469 -10.513 -6.685 1.00 0.00 C ATOM 1912 C ILE B 498 -11.274 -10.358 -5.430 1.00 0.00 C ATOM 1913 O ILE B 498 -11.816 -11.327 -4.890 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.075 -11.609 -7.580 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.213 -12.015 -8.801 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.430 -11.121 -8.080 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.876 -11.352 -8.942 1.00 0.00 C ATOM 0 H ILE B 498 -8.800 -11.621 -6.081 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.503 -9.628 -7.320 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.146 -12.502 -6.959 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -10.054 -13.093 -8.760 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.788 -11.812 -9.704 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.879 -11.883 -8.717 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.084 -10.928 -7.229 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.298 -10.202 -8.651 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.377 -11.725 -9.836 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -9.012 -10.274 -9.026 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.266 -11.574 -8.067 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.316 -9.136 -4.930 1.00 0.00 N ATOM 1930 CA ILE B 499 -11.976 -8.901 -3.684 1.00 0.00 C ATOM 1931 C ILE B 499 -13.444 -8.606 -3.964 1.00 0.00 C ATOM 1932 O ILE B 499 -13.844 -7.465 -4.208 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.265 -7.785 -2.859 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -10.080 -8.356 -2.061 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.226 -7.071 -1.931 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.166 -9.841 -1.769 1.00 0.00 C ATOM 0 H ILE B 499 -10.905 -8.312 -5.368 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.921 -9.790 -3.056 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.885 -7.055 -3.574 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.161 -8.161 -2.614 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -10.004 -7.818 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.691 -6.301 -1.375 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -13.021 -6.609 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.659 -7.788 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.288 -10.152 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -11.064 -10.046 -1.186 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.208 -10.394 -2.707 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.215 -9.694 -3.974 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.648 -9.647 -4.210 1.00 0.00 C ATOM 1950 C GLY B 500 -16.056 -8.727 -5.340 1.00 0.00 C ATOM 1951 O GLY B 500 -15.981 -9.098 -6.512 1.00 0.00 O ATOM 0 H GLY B 500 -13.855 -10.635 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -16.003 -10.654 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.146 -9.325 -3.295 1.00 0.00 H new ATOM 1955 N MET B 501 -16.493 -7.527 -4.961 1.00 0.00 N ATOM 1956 CA MET B 501 -16.934 -6.510 -5.880 1.00 0.00 C ATOM 1957 C MET B 501 -15.985 -6.342 -7.056 1.00 0.00 C ATOM 1958 O MET B 501 -16.430 -6.191 -8.195 1.00 0.00 O ATOM 1959 CB MET B 501 -17.052 -5.185 -5.135 1.00 0.00 C ATOM 1960 CG MET B 501 -17.826 -4.160 -5.908 1.00 0.00 C ATOM 1961 SD MET B 501 -17.457 -2.464 -5.415 1.00 0.00 S ATOM 1962 CE MET B 501 -15.748 -2.315 -5.945 1.00 0.00 C ATOM 0 H MET B 501 -16.547 -7.241 -3.983 1.00 0.00 H new ATOM 0 HA MET B 501 -17.900 -6.819 -6.280 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.538 -5.354 -4.174 1.00 0.00 H new ATOM 0 HB3 MET B 501 -16.054 -4.800 -4.925 1.00 0.00 H new ATOM 0 HG2 MET B 501 -17.610 -4.277 -6.970 1.00 0.00 H new ATOM 0 HG3 MET B 501 -18.892 -4.345 -5.777 1.00 0.00 H new ATOM 0 HE1 MET B 501 -15.461 -1.264 -5.957 1.00 0.00 H new ATOM 0 HE2 MET B 501 -15.104 -2.859 -5.254 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.640 -2.732 -6.946 1.00 0.00 H new ATOM 1972 N THR B 502 -14.685 -6.366 -6.793 1.00 0.00 N ATOM 1973 CA THR B 502 -13.737 -6.058 -7.844 1.00 0.00 C ATOM 1974 C THR B 502 -12.451 -6.870 -7.781 1.00 0.00 C ATOM 1975 O THR B 502 -11.945 -7.205 -6.711 1.00 0.00 O ATOM 1976 CB THR B 502 -13.440 -4.546 -7.841 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.363 -3.847 -8.688 1.00 0.00 O ATOM 1978 CG2 THR B 502 -12.039 -4.248 -8.287 1.00 0.00 C ATOM 0 H THR B 502 -14.275 -6.589 -5.886 1.00 0.00 H new ATOM 0 HA THR B 502 -14.206 -6.346 -8.785 1.00 0.00 H new ATOM 0 HB THR B 502 -13.553 -4.204 -6.812 1.00 0.00 H new ATOM 0 HG1 THR B 502 -15.202 -4.351 -8.744 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.873 -3.171 -8.270 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.332 -4.735 -7.615 1.00 0.00 H new ATOM 0 HG23 THR B 502 -11.893 -4.621 -9.301 1.00 0.00 H new ATOM 1986 N LYS B 503 -11.957 -7.204 -8.968 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.683 -7.841 -9.129 1.00 0.00 C ATOM 1988 C LYS B 503 -9.574 -6.815 -9.297 1.00 0.00 C ATOM 1989 O LYS B 503 -9.552 -6.072 -10.267 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.734 -8.780 -10.325 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.442 -8.845 -11.121 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.345 -10.107 -11.955 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.690 -10.515 -12.532 1.00 0.00 C ATOM 1994 NZ LYS B 503 -11.196 -9.531 -13.524 1.00 0.00 N ATOM 0 H LYS B 503 -12.446 -7.032 -9.847 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.462 -8.417 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -10.983 -9.782 -9.976 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.540 -8.464 -10.987 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.375 -7.974 -11.774 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.594 -8.797 -10.438 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.635 -9.951 -12.767 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -8.953 -10.918 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.599 -11.492 -13.006 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.414 -10.619 -11.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -12.133 -9.190 -13.228 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -10.538 -8.728 -13.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -11.272 -9.986 -14.456 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.647 -6.804 -8.357 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.591 -5.828 -8.327 1.00 0.00 C ATOM 2010 C ILE B 504 -6.332 -6.344 -8.958 1.00 0.00 C ATOM 2011 O ILE B 504 -5.603 -7.113 -8.352 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.238 -5.431 -6.904 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.478 -4.994 -6.175 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.240 -4.310 -6.931 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.179 -4.213 -4.929 1.00 0.00 C ATOM 0 H ILE B 504 -8.612 -7.478 -7.592 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.971 -4.972 -8.884 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.805 -6.287 -6.386 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.089 -4.385 -6.841 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.068 -5.872 -5.914 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.986 -4.024 -5.910 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.340 -4.637 -7.451 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.669 -3.454 -7.451 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.113 -3.926 -4.447 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.592 -4.828 -4.246 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.614 -3.318 -5.188 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.022 -5.864 -10.138 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.824 -6.248 -10.826 1.00 0.00 C ATOM 2029 C PRO B 505 -3.647 -5.519 -10.204 1.00 0.00 C ATOM 2030 O PRO B 505 -3.430 -4.325 -10.433 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.117 -5.813 -12.254 1.00 0.00 C ATOM 2032 CG PRO B 505 -5.995 -4.624 -12.110 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.774 -4.840 -10.854 1.00 0.00 C ATOM 0 HA PRO B 505 -4.566 -7.306 -10.776 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.200 -5.566 -12.789 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.611 -6.605 -12.816 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.406 -3.708 -12.052 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.659 -4.522 -12.969 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.852 -3.922 -10.271 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.791 -5.169 -11.068 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.962 -6.218 -9.320 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.876 -5.625 -8.571 1.00 0.00 C ATOM 2043 C VAL B 506 -0.534 -5.810 -9.267 1.00 0.00 C ATOM 2044 O VAL B 506 -0.412 -6.550 -10.242 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.789 -6.239 -7.167 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.101 -6.100 -6.413 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.414 -7.686 -7.269 1.00 0.00 C ATOM 0 H VAL B 506 -3.140 -7.199 -9.104 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.090 -4.558 -8.502 1.00 0.00 H new ATOM 0 HB VAL B 506 -1.024 -5.697 -6.611 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -3.001 -6.546 -5.424 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.352 -5.044 -6.311 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.892 -6.610 -6.963 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.353 -8.117 -6.270 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.169 -8.217 -7.849 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.447 -7.777 -7.763 1.00 0.00 H new ATOM 2057 N ILE B 507 0.460 -5.123 -8.740 1.00 0.00 N ATOM 2058 CA ILE B 507 1.821 -5.179 -9.240 1.00 0.00 C ATOM 2059 C ILE B 507 2.752 -5.511 -8.084 1.00 0.00 C ATOM 2060 O ILE B 507 2.410 -5.267 -6.929 1.00 0.00 O ATOM 2061 CB ILE B 507 2.231 -3.846 -9.892 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.492 -2.804 -8.839 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.112 -3.345 -10.775 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.091 -1.526 -9.371 1.00 0.00 C ATOM 0 H ILE B 507 0.344 -4.501 -7.940 1.00 0.00 H new ATOM 0 HA ILE B 507 1.888 -5.951 -10.006 1.00 0.00 H new ATOM 0 HB ILE B 507 3.135 -4.018 -10.477 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.555 -2.570 -8.334 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.163 -3.222 -8.088 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.406 -2.401 -11.235 1.00 0.00 H new ATOM 0 HG22 ILE B 507 0.906 -4.079 -11.554 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.215 -3.192 -10.174 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.248 -0.828 -8.549 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.046 -1.743 -9.850 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.413 -1.082 -10.099 1.00 0.00 H new ATOM 2076 N GLU B 508 3.906 -6.078 -8.375 1.00 0.00 N ATOM 2077 CA GLU B 508 4.799 -6.524 -7.317 1.00 0.00 C ATOM 2078 C GLU B 508 5.921 -5.512 -7.079 1.00 0.00 C ATOM 2079 O GLU B 508 6.546 -5.016 -8.019 1.00 0.00 O ATOM 2080 CB GLU B 508 5.337 -7.918 -7.641 1.00 0.00 C ATOM 2081 CG GLU B 508 4.232 -8.951 -7.808 1.00 0.00 C ATOM 2082 CD GLU B 508 4.757 -10.352 -8.036 1.00 0.00 C ATOM 2083 OE1 GLU B 508 5.076 -10.688 -9.191 1.00 0.00 O ATOM 2084 OE2 GLU B 508 4.837 -11.135 -7.068 1.00 0.00 O ATOM 0 H GLU B 508 4.247 -6.241 -9.322 1.00 0.00 H new ATOM 0 HA GLU B 508 4.238 -6.591 -6.385 1.00 0.00 H new ATOM 0 HB2 GLU B 508 5.926 -7.871 -8.557 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.010 -8.237 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU B 508 3.601 -8.946 -6.919 1.00 0.00 H new ATOM 0 HG3 GLU B 508 3.600 -8.665 -8.649 1.00 0.00 H new ATOM 2091 N ASN B 509 6.142 -5.220 -5.798 1.00 0.00 N ATOM 2092 CA ASN B 509 7.018 -4.132 -5.341 1.00 0.00 C ATOM 2093 C ASN B 509 8.453 -4.268 -5.834 1.00 0.00 C ATOM 2094 O ASN B 509 8.965 -5.374 -6.008 1.00 0.00 O ATOM 2095 CB ASN B 509 7.039 -4.093 -3.811 1.00 0.00 C ATOM 2096 CG ASN B 509 7.869 -5.217 -3.209 1.00 0.00 C ATOM 2097 OD1 ASN B 509 9.051 -5.045 -2.933 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.259 -6.371 -3.004 1.00 0.00 N ATOM 0 H ASN B 509 5.712 -5.739 -5.033 1.00 0.00 H new ATOM 0 HA ASN B 509 6.607 -3.213 -5.758 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.439 -3.134 -3.481 1.00 0.00 H new ATOM 0 HB3 ASN B 509 6.018 -4.159 -3.435 1.00 0.00 H new ATOM 0 HD21 ASN B 509 7.773 -7.156 -2.604 1.00 0.00 H new ATOM 0 HD22 ASN B 509 6.274 -6.477 -3.246 1.00 0.00 H new ATOM 2105 N PRO B 510 9.118 -3.124 -6.066 1.00 0.00 N ATOM 2106 CA PRO B 510 10.547 -3.077 -6.355 1.00 0.00 C ATOM 2107 C PRO B 510 11.407 -3.156 -5.090 1.00 0.00 C ATOM 2108 O PRO B 510 12.604 -3.415 -5.175 1.00 0.00 O ATOM 2109 CB PRO B 510 10.742 -1.704 -7.026 1.00 0.00 C ATOM 2110 CG PRO B 510 9.377 -1.111 -7.163 1.00 0.00 C ATOM 2111 CD PRO B 510 8.526 -1.786 -6.131 1.00 0.00 C ATOM 0 HA PRO B 510 10.852 -3.923 -6.971 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.386 -1.064 -6.423 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.220 -1.811 -8.000 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.402 -0.033 -7.003 1.00 0.00 H new ATOM 0 HG3 PRO B 510 8.979 -1.275 -8.164 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.570 -1.275 -5.169 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.477 -1.819 -6.427 1.00 0.00 H new ATOM 2119 N GLN B 511 10.792 -2.952 -3.920 1.00 0.00 N ATOM 2120 CA GLN B 511 11.530 -2.865 -2.652 1.00 0.00 C ATOM 2121 C GLN B 511 12.336 -4.129 -2.376 1.00 0.00 C ATOM 2122 O GLN B 511 13.480 -4.066 -1.923 1.00 0.00 O ATOM 2123 CB GLN B 511 10.575 -2.602 -1.481 1.00 0.00 C ATOM 2124 CG GLN B 511 10.175 -1.143 -1.295 1.00 0.00 C ATOM 2125 CD GLN B 511 10.402 -0.295 -2.528 1.00 0.00 C ATOM 2126 OE1 GLN B 511 11.467 0.286 -2.707 1.00 0.00 O ATOM 2127 NE2 GLN B 511 9.406 -0.217 -3.385 1.00 0.00 N ATOM 0 H GLN B 511 9.782 -2.844 -3.823 1.00 0.00 H new ATOM 0 HA GLN B 511 12.224 -2.030 -2.747 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.672 -3.195 -1.627 1.00 0.00 H new ATOM 0 HB3 GLN B 511 11.044 -2.955 -0.562 1.00 0.00 H new ATOM 0 HG2 GLN B 511 9.122 -1.095 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.741 -0.722 -0.464 1.00 0.00 H new ATOM 0 HE21 GLN B 511 8.535 -0.715 -3.201 1.00 0.00 H new ATOM 0 HE22 GLN B 511 9.505 0.341 -4.233 1.00 0.00 H new