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 99 ASN : amide:sc= 0.0674! K(o=-6.6!,f=-7.8) USER MOD Set 1.2: A 102 GLN : amide:sc= -6.68! C(o=-6.6!,f=-11!) USER MOD Set 2.1: A 70 ASN : amide:sc= -0.515 K(o=-1.3,f=-5.6!) USER MOD Set 2.2: B 501 MET CE :methyl 152:sc= -1.9! (180deg=-3.59!) USER MOD Set 2.3: B 502 THR OG1 : rot 77:sc= 1.09 USER MOD Set 3.1: A 54 SER OG : rot 180:sc= 0.076 USER MOD Set 3.2: A 56 LYS NZ :NH3+ -117:sc= 0.0299 (180deg=-1.99!) USER MOD Set 4.1: A 43 THR OG1 : rot 84:sc= 1.26 USER MOD Set 4.2: A 58 HIS : no HD1:sc= -5! C(o=-3.7!,f=-9.6!) USER MOD Single : A 19 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.65) USER MOD Single : A 20 LYS NZ :NH3+ -157:sc= 0.506 (180deg=-0.697!) USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= -0.0736 (180deg=-0.378) USER MOD Single : A 25 ASN : amide:sc= 0.152 X(o=0.15,f=0.19!) USER MOD Single : A 31 ASN : amide:sc= 0.701 K(o=0.7,f=-0.068) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 163:sc= -9.94! (180deg=-12.6!) USER MOD Single : A 41 THR OG1 : rot -51:sc= 1.29 USER MOD Single : A 48 TYR OH : rot 45:sc= 1.15 USER MOD Single : A 49 THR OG1 : rot -81:sc= -3.75! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 70:sc= -2.06! USER MOD Single : A 61 CYS SG : rot 180:sc= -0.32 USER MOD Single : A 65 TYR OH : rot -92:sc= 0.448 USER MOD Single : A 67 TYR OH : rot 48:sc= 1.3 USER MOD Single : A 69 SER OG : rot 79:sc= 1.15 USER MOD Single : A 73 SER OG : rot 60:sc= -3.52! USER MOD Single : A 76 SER OG : rot 27:sc= 0.0546 USER MOD Single : A 90 LYS NZ :NH3+ -158:sc= 0.253 (180deg=-1!) USER MOD Single : A 91 CYS SG : rot 66:sc= -4.61! USER MOD Single : A 100 MET CE :methyl 164:sc= -6.02! (180deg=-6.41!) USER MOD Single : A 105 MET CE :methyl -117:sc= -4.81! (180deg=-9.32!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.131 F(o=-1.6!,f=-0.13) USER MOD Single : A 107 ASN : amide:sc= 1.21 K(o=1.2,f=-0.01) USER MOD Single : A 108 ASN :FLIP amide:sc= -2.59! C(o=-3.5!,f=-2.6!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 509 ASN : amide:sc= 0.077 K(o=0.077,f=-5.3!) USER MOD Single : B 511 GLN : amide:sc= -3.76! C(o=-3.8!,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 173 N ASN A 19 -1.506 12.079 -0.253 1.00 0.00 N ATOM 174 CA ASN A 19 -1.205 10.778 0.321 1.00 0.00 C ATOM 175 C ASN A 19 -2.309 10.241 1.229 1.00 0.00 C ATOM 176 O ASN A 19 -2.481 9.029 1.336 1.00 0.00 O ATOM 177 CB ASN A 19 0.111 10.825 1.088 1.00 0.00 C ATOM 178 CG ASN A 19 0.007 11.545 2.421 1.00 0.00 C ATOM 179 OD1 ASN A 19 -0.708 12.541 2.560 1.00 0.00 O ATOM 180 ND2 ASN A 19 0.714 11.035 3.417 1.00 0.00 N ATOM 0 HA ASN A 19 -1.125 10.090 -0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.459 9.807 1.260 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.863 11.320 0.474 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.680 11.467 4.340 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.293 10.210 3.261 1.00 0.00 H new ATOM 187 N LYS A 20 -3.046 11.114 1.896 1.00 0.00 N ATOM 188 CA LYS A 20 -4.081 10.652 2.801 1.00 0.00 C ATOM 189 C LYS A 20 -5.355 10.385 2.011 1.00 0.00 C ATOM 190 O LYS A 20 -6.071 11.315 1.631 1.00 0.00 O ATOM 191 CB LYS A 20 -4.329 11.712 3.885 1.00 0.00 C ATOM 192 CG LYS A 20 -5.360 11.307 4.927 1.00 0.00 C ATOM 193 CD LYS A 20 -4.819 10.282 5.896 1.00 0.00 C ATOM 194 CE LYS A 20 -4.316 10.888 7.191 1.00 0.00 C ATOM 195 NZ LYS A 20 -3.280 11.932 6.977 1.00 0.00 N ATOM 0 H LYS A 20 -2.949 12.127 1.830 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.765 9.728 3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.387 11.929 4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.655 12.635 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.684 12.190 5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.240 10.903 4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.601 9.557 6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.006 9.735 5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.156 11.322 7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.905 10.099 7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.705 12.032 7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.668 11.656 6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.741 12.839 6.761 1.00 0.00 H new ATOM 209 N PHE A 21 -5.641 9.111 1.773 1.00 0.00 N ATOM 210 CA PHE A 21 -6.851 8.726 1.059 1.00 0.00 C ATOM 211 C PHE A 21 -7.776 7.904 1.922 1.00 0.00 C ATOM 212 O PHE A 21 -7.361 6.942 2.544 1.00 0.00 O ATOM 213 CB PHE A 21 -6.489 7.935 -0.193 1.00 0.00 C ATOM 214 CG PHE A 21 -5.989 8.787 -1.312 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.354 10.123 -1.431 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.133 8.252 -2.241 1.00 0.00 C ATOM 217 CE1 PHE A 21 -5.863 10.891 -2.463 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.641 9.003 -3.256 1.00 0.00 C ATOM 219 CZ PHE A 21 -5.000 10.327 -3.377 1.00 0.00 C ATOM 0 H PHE A 21 -5.053 8.329 2.063 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.373 9.642 0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.727 7.198 0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.366 7.383 -0.531 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.027 10.562 -0.709 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.846 7.214 -2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.152 11.927 -2.555 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.965 8.561 -3.973 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.606 10.922 -4.187 1.00 0.00 H new ATOM 229 N LYS A 22 -9.032 8.290 1.957 1.00 0.00 N ATOM 230 CA LYS A 22 -10.036 7.496 2.632 1.00 0.00 C ATOM 231 C LYS A 22 -10.430 6.299 1.776 1.00 0.00 C ATOM 232 O LYS A 22 -11.095 6.441 0.747 1.00 0.00 O ATOM 233 CB LYS A 22 -11.260 8.335 2.951 1.00 0.00 C ATOM 234 CG LYS A 22 -11.347 8.784 4.393 1.00 0.00 C ATOM 235 CD LYS A 22 -11.449 7.608 5.349 1.00 0.00 C ATOM 236 CE LYS A 22 -12.757 6.854 5.184 1.00 0.00 C ATOM 237 NZ LYS A 22 -13.940 7.724 5.409 1.00 0.00 N ATOM 0 H LYS A 22 -9.383 9.146 1.528 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.611 7.135 3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.261 9.215 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.154 7.761 2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.468 9.378 4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.215 9.431 4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.614 6.928 5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.364 7.966 6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.806 6.430 4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.784 6.019 5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.783 7.133 5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.781 8.315 6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.085 8.334 4.579 1.00 0.00 H new ATOM 251 N VAL A 23 -10.001 5.128 2.207 1.00 0.00 N ATOM 252 CA VAL A 23 -10.317 3.888 1.532 1.00 0.00 C ATOM 253 C VAL A 23 -11.457 3.186 2.260 1.00 0.00 C ATOM 254 O VAL A 23 -12.059 3.732 3.181 1.00 0.00 O ATOM 255 CB VAL A 23 -9.076 2.958 1.492 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.912 3.665 0.834 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.688 2.511 2.889 1.00 0.00 C ATOM 0 H VAL A 23 -9.422 5.012 3.038 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.618 4.114 0.509 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.334 2.075 0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.048 3.001 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.183 3.941 -0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.665 4.563 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.815 1.860 2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.452 3.384 3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.518 1.968 3.341 1.00 0.00 H new ATOM 267 N ILE A 24 -11.772 1.993 1.833 1.00 0.00 N ATOM 268 CA ILE A 24 -12.722 1.169 2.539 1.00 0.00 C ATOM 269 C ILE A 24 -12.136 -0.213 2.741 1.00 0.00 C ATOM 270 O ILE A 24 -12.005 -0.952 1.781 1.00 0.00 O ATOM 271 CB ILE A 24 -14.021 1.000 1.756 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.772 2.305 1.572 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.905 0.031 2.472 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.621 2.300 0.321 1.00 0.00 C ATOM 0 H ILE A 24 -11.382 1.565 0.993 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.934 1.662 3.488 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.753 0.633 0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.407 2.483 2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.060 3.129 1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.834 -0.093 1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.400 -0.931 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.127 0.409 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.140 3.254 0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -14.984 2.149 -0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.352 1.493 0.380 1.00 0.00 H new ATOM 286 N ASN A 25 -11.778 -0.584 3.952 1.00 0.00 N ATOM 287 CA ASN A 25 -11.262 -1.926 4.143 1.00 0.00 C ATOM 288 C ASN A 25 -12.369 -2.937 3.838 1.00 0.00 C ATOM 289 O ASN A 25 -13.426 -2.942 4.479 1.00 0.00 O ATOM 290 CB ASN A 25 -10.665 -2.108 5.552 1.00 0.00 C ATOM 291 CG ASN A 25 -11.148 -3.357 6.274 1.00 0.00 C ATOM 292 OD1 ASN A 25 -10.633 -4.454 6.070 1.00 0.00 O ATOM 293 ND2 ASN A 25 -12.119 -3.188 7.150 1.00 0.00 N ATOM 0 H ASN A 25 -11.830 -0.004 4.789 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.439 -2.100 3.449 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.578 -2.144 5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.912 -1.234 6.155 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.467 -3.983 7.685 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.522 -2.262 7.292 1.00 0.00 H new ATOM 300 N VAL A 26 -12.136 -3.742 2.809 1.00 0.00 N ATOM 301 CA VAL A 26 -13.147 -4.648 2.280 1.00 0.00 C ATOM 302 C VAL A 26 -12.541 -6.034 2.098 1.00 0.00 C ATOM 303 O VAL A 26 -11.475 -6.171 1.507 1.00 0.00 O ATOM 304 CB VAL A 26 -13.680 -4.117 0.929 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.469 -2.840 1.148 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.554 -3.852 -0.045 1.00 0.00 C ATOM 0 H VAL A 26 -11.243 -3.785 2.319 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.979 -4.710 2.982 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.328 -4.884 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.840 -2.473 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.310 -3.041 1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.824 -2.087 1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.965 -3.480 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.877 -3.108 0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.007 -4.777 -0.230 1.00 0.00 H new ATOM 316 N ASP A 27 -13.197 -7.071 2.597 1.00 0.00 N ATOM 317 CA ASP A 27 -12.573 -8.385 2.547 1.00 0.00 C ATOM 318 C ASP A 27 -13.405 -9.416 1.801 1.00 0.00 C ATOM 319 O ASP A 27 -14.571 -9.641 2.121 1.00 0.00 O ATOM 320 CB ASP A 27 -12.259 -8.890 3.956 1.00 0.00 C ATOM 321 CG ASP A 27 -11.660 -10.281 3.945 1.00 0.00 C ATOM 322 OD1 ASP A 27 -10.559 -10.452 3.391 1.00 0.00 O ATOM 323 OD2 ASP A 27 -12.295 -11.211 4.483 1.00 0.00 O ATOM 0 H ASP A 27 -14.122 -7.035 3.024 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.646 -8.258 1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.566 -8.202 4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.173 -8.894 4.551 1.00 0.00 H new ATOM 328 N ASP A 28 -12.757 -10.035 0.807 1.00 0.00 N ATOM 329 CA ASP A 28 -13.288 -11.168 0.021 1.00 0.00 C ATOM 330 C ASP A 28 -14.677 -10.915 -0.589 1.00 0.00 C ATOM 331 O ASP A 28 -15.260 -11.792 -1.219 1.00 0.00 O ATOM 332 CB ASP A 28 -13.314 -12.434 0.884 1.00 0.00 C ATOM 333 CG ASP A 28 -13.644 -13.674 0.081 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.828 -14.062 -0.783 1.00 0.00 O ATOM 335 OD2 ASP A 28 -14.730 -14.248 0.290 1.00 0.00 O ATOM 0 H ASP A 28 -11.820 -9.757 0.514 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.610 -11.295 -0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.344 -12.563 1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.050 -12.313 1.679 1.00 0.00 H new ATOM 340 N ASP A 29 -15.190 -9.713 -0.445 1.00 0.00 N ATOM 341 CA ASP A 29 -16.503 -9.388 -0.978 1.00 0.00 C ATOM 342 C ASP A 29 -16.501 -7.973 -1.528 1.00 0.00 C ATOM 343 O ASP A 29 -17.441 -7.535 -2.192 1.00 0.00 O ATOM 344 CB ASP A 29 -17.562 -9.526 0.119 1.00 0.00 C ATOM 345 CG ASP A 29 -18.976 -9.366 -0.406 1.00 0.00 C ATOM 346 OD1 ASP A 29 -19.407 -10.211 -1.214 1.00 0.00 O ATOM 347 OD2 ASP A 29 -19.671 -8.409 -0.002 1.00 0.00 O ATOM 0 H ASP A 29 -14.723 -8.944 0.035 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.741 -10.081 -1.785 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.463 -10.503 0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.379 -8.778 0.891 1.00 0.00 H new ATOM 352 N GLY A 30 -15.403 -7.271 -1.272 1.00 0.00 N ATOM 353 CA GLY A 30 -15.352 -5.848 -1.523 1.00 0.00 C ATOM 354 C GLY A 30 -16.335 -5.141 -0.625 1.00 0.00 C ATOM 355 O GLY A 30 -16.786 -4.036 -0.916 1.00 0.00 O ATOM 0 H GLY A 30 -14.543 -7.668 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.345 -5.473 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.586 -5.644 -2.568 1.00 0.00 H new ATOM 359 N ASN A 31 -16.655 -5.799 0.484 1.00 0.00 N ATOM 360 CA ASN A 31 -17.623 -5.286 1.430 1.00 0.00 C ATOM 361 C ASN A 31 -16.934 -4.416 2.441 1.00 0.00 C ATOM 362 O ASN A 31 -15.969 -4.851 3.061 1.00 0.00 O ATOM 363 CB ASN A 31 -18.337 -6.426 2.158 1.00 0.00 C ATOM 364 CG ASN A 31 -19.743 -6.052 2.584 1.00 0.00 C ATOM 365 OD1 ASN A 31 -19.951 -5.455 3.641 1.00 0.00 O ATOM 366 ND2 ASN A 31 -20.719 -6.421 1.776 1.00 0.00 N ATOM 0 H ASN A 31 -16.250 -6.698 0.746 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.361 -4.705 0.876 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.378 -7.299 1.507 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.758 -6.711 3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -21.688 -6.213 2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.505 -6.914 0.909 1.00 0.00 H new ATOM 373 N GLU A 32 -17.386 -3.171 2.547 1.00 0.00 N ATOM 374 CA GLU A 32 -16.884 -2.245 3.544 1.00 0.00 C ATOM 375 C GLU A 32 -16.958 -2.853 4.953 1.00 0.00 C ATOM 376 O GLU A 32 -17.916 -2.618 5.685 1.00 0.00 O ATOM 377 CB GLU A 32 -17.716 -0.956 3.522 1.00 0.00 C ATOM 378 CG GLU A 32 -18.070 -0.474 2.122 1.00 0.00 C ATOM 379 CD GLU A 32 -19.023 0.696 2.121 1.00 0.00 C ATOM 380 OE1 GLU A 32 -19.090 1.419 3.136 1.00 0.00 O ATOM 381 OE2 GLU A 32 -19.710 0.898 1.103 1.00 0.00 O ATOM 0 H GLU A 32 -18.109 -2.780 1.943 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.843 -2.029 3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.636 -1.120 4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.164 -0.170 4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.156 -0.191 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -18.514 -1.297 1.563 1.00 0.00 H new ATOM 388 N LEU A 33 -15.953 -3.627 5.327 1.00 0.00 N ATOM 389 CA LEU A 33 -15.898 -4.246 6.647 1.00 0.00 C ATOM 390 C LEU A 33 -15.223 -3.300 7.625 1.00 0.00 C ATOM 391 O LEU A 33 -14.552 -3.712 8.577 1.00 0.00 O ATOM 392 CB LEU A 33 -15.147 -5.579 6.570 1.00 0.00 C ATOM 393 CG LEU A 33 -16.008 -6.817 6.266 1.00 0.00 C ATOM 394 CD1 LEU A 33 -17.229 -6.439 5.461 1.00 0.00 C ATOM 395 CD2 LEU A 33 -15.209 -7.835 5.480 1.00 0.00 C ATOM 0 H LEU A 33 -15.155 -3.845 4.730 1.00 0.00 H new ATOM 0 HA LEU A 33 -16.910 -4.446 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.378 -5.497 5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.634 -5.741 7.518 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.319 -7.244 7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.822 -7.331 5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.829 -5.724 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.918 -5.988 4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.832 -8.705 5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.880 -7.392 4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.339 -8.142 6.061 1.00 0.00 H new ATOM 407 N GLY A 34 -15.408 -2.020 7.361 1.00 0.00 N ATOM 408 CA GLY A 34 -14.776 -0.983 8.135 1.00 0.00 C ATOM 409 C GLY A 34 -13.944 -0.093 7.248 1.00 0.00 C ATOM 410 O GLY A 34 -12.757 -0.346 7.048 1.00 0.00 O ATOM 0 H GLY A 34 -16.000 -1.677 6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.534 -0.390 8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.147 -1.429 8.905 1.00 0.00 H new ATOM 414 N SER A 35 -14.564 0.933 6.688 1.00 0.00 N ATOM 415 CA SER A 35 -13.870 1.801 5.761 1.00 0.00 C ATOM 416 C SER A 35 -12.849 2.656 6.508 1.00 0.00 C ATOM 417 O SER A 35 -13.141 3.207 7.572 1.00 0.00 O ATOM 418 CB SER A 35 -14.867 2.646 4.963 1.00 0.00 C ATOM 419 OG SER A 35 -15.799 3.297 5.809 1.00 0.00 O ATOM 0 H SER A 35 -15.538 1.181 6.859 1.00 0.00 H new ATOM 0 HA SER A 35 -13.323 1.194 5.040 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.327 3.389 4.377 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.400 2.009 4.257 1.00 0.00 H new ATOM 0 HG SER A 35 -16.418 3.828 5.266 1.00 0.00 H new ATOM 425 N GLY A 36 -11.652 2.748 5.954 1.00 0.00 N ATOM 426 CA GLY A 36 -10.548 3.356 6.665 1.00 0.00 C ATOM 427 C GLY A 36 -9.824 4.376 5.818 1.00 0.00 C ATOM 428 O GLY A 36 -10.286 4.740 4.757 1.00 0.00 O ATOM 0 H GLY A 36 -11.424 2.410 5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.920 3.835 7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.848 2.582 6.978 1.00 0.00 H new ATOM 432 N ILE A 37 -8.702 4.854 6.296 1.00 0.00 N ATOM 433 CA ILE A 37 -7.813 5.662 5.481 1.00 0.00 C ATOM 434 C ILE A 37 -6.746 4.765 4.895 1.00 0.00 C ATOM 435 O ILE A 37 -6.573 3.658 5.338 1.00 0.00 O ATOM 436 CB ILE A 37 -7.091 6.752 6.318 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.057 7.800 6.872 1.00 0.00 C ATOM 438 CG2 ILE A 37 -6.020 7.449 5.493 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.397 8.907 5.892 1.00 0.00 C ATOM 0 H ILE A 37 -8.377 4.699 7.250 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.415 6.145 4.712 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.631 6.235 7.160 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.978 7.304 7.178 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.621 8.243 7.768 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.529 8.208 6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.283 6.718 5.161 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.480 7.921 4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.087 9.609 6.361 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.486 9.431 5.604 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.864 8.477 5.005 1.00 0.00 H new ATOM 451 N MET A 38 -6.047 5.254 3.914 1.00 0.00 N ATOM 452 CA MET A 38 -4.822 4.663 3.483 1.00 0.00 C ATOM 453 C MET A 38 -3.834 5.787 3.232 1.00 0.00 C ATOM 454 O MET A 38 -3.801 6.400 2.167 1.00 0.00 O ATOM 455 CB MET A 38 -5.026 3.794 2.269 1.00 0.00 C ATOM 456 CG MET A 38 -3.820 2.984 1.939 1.00 0.00 C ATOM 457 SD MET A 38 -3.415 1.834 3.246 1.00 0.00 S ATOM 458 CE MET A 38 -5.013 1.057 3.391 1.00 0.00 C ATOM 0 H MET A 38 -6.317 6.084 3.387 1.00 0.00 H new ATOM 0 HA MET A 38 -4.428 3.998 4.252 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.871 3.128 2.441 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.283 4.422 1.416 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.993 2.436 1.013 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.973 3.648 1.763 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.912 0.115 3.930 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.690 1.716 3.935 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.416 0.865 2.397 1.00 0.00 H new ATOM 468 N GLU A 39 -3.086 6.073 4.277 1.00 0.00 N ATOM 469 CA GLU A 39 -2.142 7.164 4.324 1.00 0.00 C ATOM 470 C GLU A 39 -0.864 6.754 3.607 1.00 0.00 C ATOM 471 O GLU A 39 -0.062 5.988 4.150 1.00 0.00 O ATOM 472 CB GLU A 39 -1.822 7.382 5.781 1.00 0.00 C ATOM 473 CG GLU A 39 -0.704 8.353 6.076 1.00 0.00 C ATOM 474 CD GLU A 39 -1.183 9.736 6.446 1.00 0.00 C ATOM 475 OE1 GLU A 39 -1.530 10.523 5.543 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.219 10.042 7.658 1.00 0.00 O ATOM 0 H GLU A 39 -3.121 5.535 5.143 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.547 8.060 3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.724 7.734 6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.567 6.419 6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.097 7.958 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.056 8.424 5.202 1.00 0.00 H new ATOM 483 N LEU A 40 -0.673 7.225 2.400 1.00 0.00 N ATOM 484 CA LEU A 40 0.471 6.804 1.629 1.00 0.00 C ATOM 485 C LEU A 40 1.727 7.603 1.958 1.00 0.00 C ATOM 486 O LEU A 40 1.945 8.687 1.428 1.00 0.00 O ATOM 487 CB LEU A 40 0.148 6.909 0.154 1.00 0.00 C ATOM 488 CG LEU A 40 -0.211 5.590 -0.508 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.505 5.837 -1.955 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.942 4.610 -0.371 1.00 0.00 C ATOM 0 H LEU A 40 -1.287 7.893 1.934 1.00 0.00 H new ATOM 0 HA LEU A 40 0.685 5.768 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.682 7.603 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.006 7.339 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.089 5.163 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.764 4.896 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.340 6.532 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.375 6.263 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.676 3.667 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.829 5.023 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.149 4.437 0.685 1.00 0.00 H new ATOM 502 N THR A 41 2.565 7.067 2.830 1.00 0.00 N ATOM 503 CA THR A 41 3.819 7.728 3.137 1.00 0.00 C ATOM 504 C THR A 41 5.008 6.934 2.597 1.00 0.00 C ATOM 505 O THR A 41 4.819 5.918 1.924 1.00 0.00 O ATOM 506 CB THR A 41 3.989 7.993 4.635 1.00 0.00 C ATOM 507 OG1 THR A 41 4.054 6.775 5.384 1.00 0.00 O ATOM 508 CG2 THR A 41 2.849 8.849 5.157 1.00 0.00 C ATOM 0 H THR A 41 2.403 6.192 3.329 1.00 0.00 H new ATOM 0 HA THR A 41 3.789 8.696 2.638 1.00 0.00 H new ATOM 0 HB THR A 41 4.932 8.524 4.764 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.292 6.205 5.149 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.987 9.027 6.224 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.838 9.802 4.628 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.903 8.333 4.994 1.00 0.00 H new ATOM 516 N ASP A 42 6.219 7.416 2.898 1.00 0.00 N ATOM 517 CA ASP A 42 7.470 6.852 2.374 1.00 0.00 C ATOM 518 C ASP A 42 7.520 5.353 2.451 1.00 0.00 C ATOM 519 O ASP A 42 7.799 4.689 1.456 1.00 0.00 O ATOM 520 CB ASP A 42 8.681 7.395 3.134 1.00 0.00 C ATOM 521 CG ASP A 42 8.936 8.874 2.911 1.00 0.00 C ATOM 522 OD1 ASP A 42 8.138 9.530 2.214 1.00 0.00 O ATOM 523 OD2 ASP A 42 9.942 9.393 3.449 1.00 0.00 O ATOM 0 H ASP A 42 6.361 8.214 3.517 1.00 0.00 H new ATOM 0 HA ASP A 42 7.501 7.152 1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.538 7.218 4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.567 6.835 2.834 1.00 0.00 H new ATOM 528 N THR A 43 7.276 4.797 3.612 1.00 0.00 N ATOM 529 CA THR A 43 7.470 3.384 3.747 1.00 0.00 C ATOM 530 C THR A 43 6.303 2.688 4.407 1.00 0.00 C ATOM 531 O THR A 43 6.204 1.480 4.316 1.00 0.00 O ATOM 532 CB THR A 43 8.735 3.045 4.538 1.00 0.00 C ATOM 533 OG1 THR A 43 8.581 3.384 5.922 1.00 0.00 O ATOM 534 CG2 THR A 43 9.938 3.786 3.991 1.00 0.00 C ATOM 0 H THR A 43 6.954 5.285 4.448 1.00 0.00 H new ATOM 0 HA THR A 43 7.567 3.022 2.723 1.00 0.00 H new ATOM 0 HB THR A 43 8.894 1.971 4.439 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.118 2.657 6.387 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.822 3.525 4.573 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.094 3.507 2.949 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.765 4.860 4.057 1.00 0.00 H new ATOM 542 N GLU A 44 5.447 3.405 5.109 1.00 0.00 N ATOM 543 CA GLU A 44 4.276 2.754 5.665 1.00 0.00 C ATOM 544 C GLU A 44 2.987 3.342 5.136 1.00 0.00 C ATOM 545 O GLU A 44 2.790 4.555 5.076 1.00 0.00 O ATOM 546 CB GLU A 44 4.255 2.735 7.196 1.00 0.00 C ATOM 547 CG GLU A 44 4.772 1.436 7.800 1.00 0.00 C ATOM 548 CD GLU A 44 6.238 1.467 8.158 1.00 0.00 C ATOM 549 OE1 GLU A 44 6.964 2.348 7.656 1.00 0.00 O ATOM 550 OE2 GLU A 44 6.674 0.591 8.939 1.00 0.00 O ATOM 0 H GLU A 44 5.533 4.403 5.304 1.00 0.00 H new ATOM 0 HA GLU A 44 4.350 1.719 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.857 3.564 7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.234 2.903 7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.194 1.209 8.696 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.598 0.624 7.094 1.00 0.00 H new ATOM 557 N LEU A 45 2.136 2.438 4.730 1.00 0.00 N ATOM 558 CA LEU A 45 0.792 2.736 4.307 1.00 0.00 C ATOM 559 C LEU A 45 -0.132 2.752 5.513 1.00 0.00 C ATOM 560 O LEU A 45 -0.617 1.714 5.953 1.00 0.00 O ATOM 561 CB LEU A 45 0.390 1.663 3.301 1.00 0.00 C ATOM 562 CG LEU A 45 0.576 2.011 1.849 1.00 0.00 C ATOM 563 CD1 LEU A 45 1.009 0.785 1.075 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.715 2.521 1.295 1.00 0.00 C ATOM 0 H LEU A 45 2.364 1.445 4.683 1.00 0.00 H new ATOM 0 HA LEU A 45 0.725 3.719 3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.965 0.761 3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.660 1.418 3.463 1.00 0.00 H new ATOM 0 HG LEU A 45 1.345 2.779 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.141 1.046 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.951 0.414 1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.247 0.011 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.585 2.774 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.481 1.752 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.022 3.409 1.847 1.00 0.00 H new ATOM 576 N ILE A 46 -0.350 3.938 6.061 1.00 0.00 N ATOM 577 CA ILE A 46 -1.068 4.063 7.317 1.00 0.00 C ATOM 578 C ILE A 46 -2.597 4.049 7.072 1.00 0.00 C ATOM 579 O ILE A 46 -3.208 5.076 6.800 1.00 0.00 O ATOM 580 CB ILE A 46 -0.649 5.340 8.116 1.00 0.00 C ATOM 581 CG1 ILE A 46 0.868 5.452 8.245 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.274 5.294 9.468 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.547 4.129 8.379 1.00 0.00 C ATOM 0 H ILE A 46 -0.041 4.822 5.657 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.799 3.202 7.928 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.996 6.218 7.571 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.263 5.969 7.370 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.108 6.066 9.113 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.987 6.181 10.032 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.359 5.264 9.367 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.934 4.403 9.996 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.623 4.279 8.467 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.178 3.619 9.269 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.336 3.521 7.499 1.00 0.00 H new ATOM 595 N LEU A 47 -3.202 2.872 7.170 1.00 0.00 N ATOM 596 CA LEU A 47 -4.650 2.708 7.000 1.00 0.00 C ATOM 597 C LEU A 47 -5.375 3.159 8.276 1.00 0.00 C ATOM 598 O LEU A 47 -5.266 2.500 9.305 1.00 0.00 O ATOM 599 CB LEU A 47 -4.977 1.229 6.803 1.00 0.00 C ATOM 600 CG LEU A 47 -6.446 0.817 7.008 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.291 0.989 5.754 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.479 -0.618 7.433 1.00 0.00 C ATOM 0 H LEU A 47 -2.708 2.002 7.369 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.966 3.299 6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.681 0.946 5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.361 0.649 7.490 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.872 1.470 7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.316 0.682 5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.280 2.035 5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.883 0.373 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.513 -0.929 7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.023 -1.237 6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.926 -0.734 8.365 1.00 0.00 H new ATOM 614 N TYR A 48 -6.121 4.249 8.242 1.00 0.00 N ATOM 615 CA TYR A 48 -6.826 4.681 9.456 1.00 0.00 C ATOM 616 C TYR A 48 -8.180 4.003 9.531 1.00 0.00 C ATOM 617 O TYR A 48 -9.128 4.458 8.903 1.00 0.00 O ATOM 618 CB TYR A 48 -7.047 6.193 9.510 1.00 0.00 C ATOM 619 CG TYR A 48 -5.798 6.981 9.699 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.778 6.788 8.834 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.638 7.904 10.723 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.618 7.461 8.936 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.455 8.609 10.849 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.439 8.381 9.943 1.00 0.00 C ATOM 625 OH TYR A 48 -2.252 9.068 10.043 1.00 0.00 O ATOM 0 H TYR A 48 -6.258 4.840 7.422 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.193 4.400 10.298 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.530 6.513 8.586 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.735 6.421 10.324 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.898 6.071 8.036 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.441 8.073 11.425 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.825 7.279 8.226 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.328 9.328 11.645 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.980 9.382 9.155 1.00 0.00 H new ATOM 635 N THR A 49 -8.289 2.942 10.303 1.00 0.00 N ATOM 636 CA THR A 49 -9.553 2.221 10.397 1.00 0.00 C ATOM 637 C THR A 49 -10.542 2.955 11.307 1.00 0.00 C ATOM 638 O THR A 49 -10.302 4.102 11.696 1.00 0.00 O ATOM 639 CB THR A 49 -9.347 0.807 10.917 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.530 0.849 12.074 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.713 -0.066 9.858 1.00 0.00 C ATOM 0 H THR A 49 -7.532 2.559 10.870 1.00 0.00 H new ATOM 0 HA THR A 49 -9.965 2.170 9.389 1.00 0.00 H new ATOM 0 HB THR A 49 -10.316 0.377 11.171 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.589 0.913 11.808 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.575 -1.073 10.252 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.361 -0.104 8.982 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.746 0.349 9.576 1.00 0.00 H new ATOM 649 N ARG A 50 -11.640 2.299 11.666 1.00 0.00 N ATOM 650 CA ARG A 50 -12.634 2.920 12.525 1.00 0.00 C ATOM 651 C ARG A 50 -12.222 2.842 13.987 1.00 0.00 C ATOM 652 O ARG A 50 -11.903 3.856 14.610 1.00 0.00 O ATOM 653 CB ARG A 50 -13.988 2.265 12.335 1.00 0.00 C ATOM 654 CG ARG A 50 -15.063 3.239 11.890 1.00 0.00 C ATOM 655 CD ARG A 50 -15.385 4.281 12.958 1.00 0.00 C ATOM 656 NE ARG A 50 -14.387 5.356 13.011 1.00 0.00 N ATOM 657 CZ ARG A 50 -14.670 6.655 12.906 1.00 0.00 C ATOM 658 NH1 ARG A 50 -15.925 7.074 12.809 1.00 0.00 N ATOM 659 NH2 ARG A 50 -13.684 7.541 12.915 1.00 0.00 N ATOM 0 H ARG A 50 -11.861 1.346 11.377 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.705 3.970 12.243 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.899 1.469 11.596 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.294 1.798 13.271 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.737 3.744 10.981 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.969 2.687 11.641 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.367 4.710 12.758 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.442 3.794 13.931 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.410 5.091 13.137 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.690 6.399 12.814 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.125 8.071 12.729 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.717 7.227 13.002 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.892 8.536 12.835 1.00 0.00 H new ATOM 673 N LYS A 51 -12.223 1.635 14.524 1.00 0.00 N ATOM 674 CA LYS A 51 -11.933 1.420 15.934 1.00 0.00 C ATOM 675 C LYS A 51 -10.635 0.649 16.118 1.00 0.00 C ATOM 676 O LYS A 51 -10.119 0.517 17.224 1.00 0.00 O ATOM 677 CB LYS A 51 -13.100 0.693 16.561 1.00 0.00 C ATOM 678 CG LYS A 51 -14.380 1.504 16.512 1.00 0.00 C ATOM 679 CD LYS A 51 -14.406 2.537 17.618 1.00 0.00 C ATOM 680 CE LYS A 51 -13.948 3.894 17.144 1.00 0.00 C ATOM 681 NZ LYS A 51 -14.050 4.914 18.218 1.00 0.00 N ATOM 0 H LYS A 51 -12.423 0.782 14.002 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.798 2.382 16.429 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.254 -0.255 16.045 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.862 0.457 17.598 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.465 1.999 15.544 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.240 0.841 16.608 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.418 2.616 18.015 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.767 2.206 18.437 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.916 3.830 16.800 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.550 4.203 16.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.727 5.834 17.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.039 4.993 18.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.456 4.631 19.023 1.00 0.00 H new ATOM 695 N ARG A 52 -10.121 0.154 15.008 1.00 0.00 N ATOM 696 CA ARG A 52 -8.891 -0.624 14.979 1.00 0.00 C ATOM 697 C ARG A 52 -7.674 0.296 15.013 1.00 0.00 C ATOM 698 O ARG A 52 -6.566 -0.114 15.360 1.00 0.00 O ATOM 699 CB ARG A 52 -8.887 -1.436 13.707 1.00 0.00 C ATOM 700 CG ARG A 52 -7.723 -2.366 13.589 1.00 0.00 C ATOM 701 CD ARG A 52 -8.089 -3.741 14.082 1.00 0.00 C ATOM 702 NE ARG A 52 -9.302 -4.245 13.434 1.00 0.00 N ATOM 703 CZ ARG A 52 -9.442 -5.469 12.924 1.00 0.00 C ATOM 704 NH1 ARG A 52 -8.438 -6.338 12.966 1.00 0.00 N ATOM 705 NH2 ARG A 52 -10.599 -5.819 12.376 1.00 0.00 N ATOM 0 H ARG A 52 -10.548 0.280 14.090 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.842 -1.276 15.851 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.809 -2.014 13.653 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.886 -0.758 12.854 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.399 -2.421 12.550 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.882 -1.979 14.165 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.263 -4.427 13.892 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.238 -3.713 15.161 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.099 -3.612 13.368 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.550 -6.071 13.391 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.555 -7.272 12.573 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.372 -5.154 12.348 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.715 -6.753 11.983 1.00 0.00 H new ATOM 719 N ASP A 53 -7.924 1.536 14.606 1.00 0.00 N ATOM 720 CA ASP A 53 -6.948 2.613 14.578 1.00 0.00 C ATOM 721 C ASP A 53 -6.014 2.484 13.383 1.00 0.00 C ATOM 722 O ASP A 53 -6.096 1.530 12.609 1.00 0.00 O ATOM 723 CB ASP A 53 -6.217 2.678 15.910 1.00 0.00 C ATOM 724 CG ASP A 53 -5.008 3.597 15.938 1.00 0.00 C ATOM 725 OD1 ASP A 53 -5.197 4.828 15.895 1.00 0.00 O ATOM 726 OD2 ASP A 53 -3.864 3.099 16.001 1.00 0.00 O ATOM 0 H ASP A 53 -8.844 1.826 14.276 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.462 3.565 14.444 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.920 3.004 16.677 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.895 1.672 16.180 1.00 0.00 H new ATOM 731 N SER A 54 -5.188 3.491 13.211 1.00 0.00 N ATOM 732 CA SER A 54 -4.238 3.558 12.115 1.00 0.00 C ATOM 733 C SER A 54 -3.380 2.301 12.050 1.00 0.00 C ATOM 734 O SER A 54 -2.433 2.124 12.821 1.00 0.00 O ATOM 735 CB SER A 54 -3.358 4.795 12.256 1.00 0.00 C ATOM 736 OG SER A 54 -2.733 4.838 13.527 1.00 0.00 O ATOM 0 H SER A 54 -5.154 4.298 13.834 1.00 0.00 H new ATOM 0 HA SER A 54 -4.801 3.627 11.184 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.598 4.795 11.474 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.961 5.692 12.114 1.00 0.00 H new ATOM 0 HG SER A 54 -2.174 5.640 13.590 1.00 0.00 H new ATOM 742 N VAL A 55 -3.761 1.426 11.150 1.00 0.00 N ATOM 743 CA VAL A 55 -2.946 0.289 10.778 1.00 0.00 C ATOM 744 C VAL A 55 -1.888 0.781 9.816 1.00 0.00 C ATOM 745 O VAL A 55 -2.032 1.855 9.249 1.00 0.00 O ATOM 746 CB VAL A 55 -3.758 -0.807 10.085 1.00 0.00 C ATOM 747 CG1 VAL A 55 -2.960 -2.074 10.001 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.062 -1.076 10.787 1.00 0.00 C ATOM 0 H VAL A 55 -4.649 1.481 10.651 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.517 -0.140 11.683 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.987 -0.450 9.081 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.551 -2.844 9.506 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.049 -1.893 9.431 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.699 -2.407 11.006 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.604 -1.861 10.260 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.865 -1.396 11.810 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.662 -0.166 10.800 1.00 0.00 H new ATOM 758 N LYS A 56 -0.821 0.040 9.638 1.00 0.00 N ATOM 759 CA LYS A 56 0.241 0.503 8.748 1.00 0.00 C ATOM 760 C LYS A 56 0.688 -0.624 7.821 1.00 0.00 C ATOM 761 O LYS A 56 0.565 -1.800 8.169 1.00 0.00 O ATOM 762 CB LYS A 56 1.490 1.005 9.485 1.00 0.00 C ATOM 763 CG LYS A 56 1.340 1.477 10.925 1.00 0.00 C ATOM 764 CD LYS A 56 0.222 2.462 11.179 1.00 0.00 C ATOM 765 CE LYS A 56 0.796 3.780 11.633 1.00 0.00 C ATOM 766 NZ LYS A 56 -0.110 4.511 12.554 1.00 0.00 N ATOM 0 H LYS A 56 -0.657 -0.864 10.080 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.194 1.337 8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.227 0.202 9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.908 1.829 8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.182 0.605 11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.279 1.933 11.238 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.364 2.604 10.271 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.456 2.069 11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.750 3.604 12.131 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.001 4.402 10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.398 5.410 12.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.953 3.932 12.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.385 4.704 13.448 1.00 0.00 H new ATOM 780 N TRP A 57 1.215 -0.267 6.650 1.00 0.00 N ATOM 781 CA TRP A 57 1.804 -1.252 5.751 1.00 0.00 C ATOM 782 C TRP A 57 3.141 -0.810 5.207 1.00 0.00 C ATOM 783 O TRP A 57 3.213 0.047 4.330 1.00 0.00 O ATOM 784 CB TRP A 57 0.856 -1.628 4.621 1.00 0.00 C ATOM 785 CG TRP A 57 -0.040 -2.718 5.074 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.211 -4.051 5.002 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.294 -2.575 5.725 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.828 -4.755 5.557 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.766 -3.866 6.009 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.068 -1.477 6.086 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -2.980 -4.083 6.644 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.267 -1.699 6.713 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.713 -2.985 6.989 1.00 0.00 C ATOM 0 H TRP A 57 1.245 0.693 6.305 1.00 0.00 H new ATOM 0 HA TRP A 57 1.979 -2.144 6.352 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.269 -0.760 4.320 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.423 -1.948 3.747 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.098 -4.492 4.571 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.891 -5.771 5.622 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.732 -0.472 5.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.331 -5.082 6.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.878 -0.855 6.998 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.661 -3.119 7.488 1.00 0.00 H new ATOM 804 N HIS A 58 4.209 -1.396 5.736 1.00 0.00 N ATOM 805 CA HIS A 58 5.538 -1.066 5.270 1.00 0.00 C ATOM 806 C HIS A 58 5.727 -1.558 3.828 1.00 0.00 C ATOM 807 O HIS A 58 5.262 -2.629 3.448 1.00 0.00 O ATOM 808 CB HIS A 58 6.627 -1.651 6.180 1.00 0.00 C ATOM 809 CG HIS A 58 7.979 -1.059 5.912 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.833 -1.550 4.957 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.573 0.045 6.411 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.887 -0.757 4.858 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.757 0.215 5.737 1.00 0.00 N ATOM 0 H HIS A 58 4.176 -2.094 6.479 1.00 0.00 H new ATOM 0 HA HIS A 58 5.639 0.019 5.298 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.358 -1.477 7.222 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.672 -2.731 6.039 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.188 0.679 7.196 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.713 -0.885 4.174 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.426 0.970 5.892 1.00 0.00 H new ATOM 822 N TYR A 59 6.410 -0.744 3.045 1.00 0.00 N ATOM 823 CA TYR A 59 6.609 -0.961 1.617 1.00 0.00 C ATOM 824 C TYR A 59 7.443 -2.202 1.320 1.00 0.00 C ATOM 825 O TYR A 59 7.300 -2.815 0.268 1.00 0.00 O ATOM 826 CB TYR A 59 7.293 0.267 1.043 1.00 0.00 C ATOM 827 CG TYR A 59 6.354 1.364 0.659 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.251 1.643 1.434 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.557 2.097 -0.487 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.370 2.636 1.090 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.691 3.096 -0.845 1.00 0.00 C ATOM 832 CZ TYR A 59 4.601 3.368 -0.057 1.00 0.00 C ATOM 833 OH TYR A 59 3.753 4.376 -0.413 1.00 0.00 O ATOM 0 H TYR A 59 6.854 0.108 3.389 1.00 0.00 H new ATOM 0 HA TYR A 59 5.634 -1.123 1.157 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.003 0.651 1.776 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.869 -0.028 0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.076 1.068 2.331 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.411 1.882 -1.113 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.508 2.842 1.707 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.865 3.668 -1.744 1.00 0.00 H new ATOM 0 HH TYR A 59 3.852 5.124 0.213 1.00 0.00 H new ATOM 843 N LEU A 60 8.298 -2.573 2.263 1.00 0.00 N ATOM 844 CA LEU A 60 9.120 -3.779 2.147 1.00 0.00 C ATOM 845 C LEU A 60 8.292 -4.992 2.491 1.00 0.00 C ATOM 846 O LEU A 60 8.806 -6.066 2.801 1.00 0.00 O ATOM 847 CB LEU A 60 10.344 -3.702 3.059 1.00 0.00 C ATOM 848 CG LEU A 60 11.649 -3.365 2.356 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.111 -4.517 1.477 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.470 -2.112 1.544 1.00 0.00 C ATOM 0 H LEU A 60 8.444 -2.052 3.128 1.00 0.00 H new ATOM 0 HA LEU A 60 9.472 -3.859 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.159 -2.952 3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.460 -4.659 3.568 1.00 0.00 H new ATOM 0 HG LEU A 60 12.421 -3.198 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.047 -4.248 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.265 -5.404 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.353 -4.726 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.405 -1.869 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.687 -2.268 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.188 -1.290 2.201 1.00 0.00 H new ATOM 862 N CYS A 61 6.998 -4.793 2.474 1.00 0.00 N ATOM 863 CA CYS A 61 6.075 -5.825 2.825 1.00 0.00 C ATOM 864 C CYS A 61 5.013 -5.971 1.746 1.00 0.00 C ATOM 865 O CYS A 61 4.397 -7.025 1.619 1.00 0.00 O ATOM 866 CB CYS A 61 5.442 -5.493 4.176 1.00 0.00 C ATOM 867 SG CYS A 61 4.317 -6.750 4.809 1.00 0.00 S ATOM 0 H CYS A 61 6.562 -3.908 2.215 1.00 0.00 H new ATOM 0 HA CYS A 61 6.601 -6.776 2.905 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.237 -5.335 4.905 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.900 -4.552 4.087 1.00 0.00 H new ATOM 0 HG CYS A 61 3.841 -6.368 5.957 1.00 0.00 H new ATOM 873 N LEU A 62 4.815 -4.915 0.961 1.00 0.00 N ATOM 874 CA LEU A 62 3.837 -4.932 -0.116 1.00 0.00 C ATOM 875 C LEU A 62 4.287 -5.842 -1.259 1.00 0.00 C ATOM 876 O LEU A 62 4.828 -5.369 -2.254 1.00 0.00 O ATOM 877 CB LEU A 62 3.623 -3.527 -0.682 1.00 0.00 C ATOM 878 CG LEU A 62 2.876 -2.494 0.181 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.822 -1.812 -0.656 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.220 -3.095 1.410 1.00 0.00 C ATOM 0 H LEU A 62 5.322 -4.035 1.054 1.00 0.00 H new ATOM 0 HA LEU A 62 2.907 -5.309 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.603 -3.113 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.081 -3.627 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 62 3.623 -1.783 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.291 -1.080 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.296 -1.308 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.116 -2.555 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.712 -2.311 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.495 -3.849 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.981 -3.557 2.039 1.00 0.00 H new ATOM 892 N ARG A 63 4.061 -7.138 -1.108 1.00 0.00 N ATOM 893 CA ARG A 63 4.339 -8.109 -2.157 1.00 0.00 C ATOM 894 C ARG A 63 3.666 -7.694 -3.458 1.00 0.00 C ATOM 895 O ARG A 63 4.342 -7.478 -4.463 1.00 0.00 O ATOM 896 CB ARG A 63 3.854 -9.502 -1.748 1.00 0.00 C ATOM 897 CG ARG A 63 4.782 -10.248 -0.803 1.00 0.00 C ATOM 898 CD ARG A 63 6.042 -10.696 -1.520 1.00 0.00 C ATOM 899 NE ARG A 63 6.793 -11.696 -0.759 1.00 0.00 N ATOM 900 CZ ARG A 63 7.404 -12.740 -1.320 1.00 0.00 C ATOM 901 NH1 ARG A 63 7.285 -12.956 -2.625 1.00 0.00 N ATOM 902 NH2 ARG A 63 8.101 -13.578 -0.569 1.00 0.00 N ATOM 0 H ARG A 63 3.680 -7.547 -0.255 1.00 0.00 H new ATOM 0 HA ARG A 63 5.418 -8.142 -2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.877 -9.407 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.716 -10.102 -2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.046 -9.605 0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.266 -11.115 -0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.776 -11.109 -2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.679 -9.831 -1.705 1.00 0.00 H new ATOM 0 HE ARG A 63 6.852 -11.588 0.254 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.726 -12.323 -3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.752 -13.755 -3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.170 -13.425 0.437 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.569 -14.377 -0.996 1.00 0.00 H new ATOM 916 N ARG A 64 2.339 -7.556 -3.442 1.00 0.00 N ATOM 917 CA ARG A 64 1.631 -7.164 -4.657 1.00 0.00 C ATOM 918 C ARG A 64 0.496 -6.190 -4.394 1.00 0.00 C ATOM 919 O ARG A 64 -0.475 -6.505 -3.733 1.00 0.00 O ATOM 920 CB ARG A 64 1.146 -8.390 -5.425 1.00 0.00 C ATOM 921 CG ARG A 64 0.105 -9.274 -4.780 1.00 0.00 C ATOM 922 CD ARG A 64 -0.143 -10.467 -5.690 1.00 0.00 C ATOM 923 NE ARG A 64 1.125 -11.105 -6.061 1.00 0.00 N ATOM 924 CZ ARG A 64 1.244 -12.333 -6.551 1.00 0.00 C ATOM 925 NH1 ARG A 64 0.173 -13.099 -6.720 1.00 0.00 N ATOM 926 NH2 ARG A 64 2.452 -12.788 -6.872 1.00 0.00 N ATOM 0 H ARG A 64 1.748 -7.705 -2.624 1.00 0.00 H new ATOM 0 HA ARG A 64 2.350 -6.631 -5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.746 -8.048 -6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.016 -9.008 -5.647 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.446 -9.609 -3.800 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.819 -8.718 -4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.786 -11.189 -5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.670 -10.143 -6.588 1.00 0.00 H new ATOM 0 HE ARG A 64 1.980 -10.564 -5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.751 -12.745 -6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.274 -14.041 -7.097 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.272 -12.195 -6.741 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.559 -13.730 -7.250 1.00 0.00 H new ATOM 940 N TYR A 65 0.598 -5.029 -5.006 1.00 0.00 N ATOM 941 CA TYR A 65 -0.281 -3.913 -4.708 1.00 0.00 C ATOM 942 C TYR A 65 -0.937 -3.413 -5.966 1.00 0.00 C ATOM 943 O TYR A 65 -0.317 -3.380 -7.021 1.00 0.00 O ATOM 944 CB TYR A 65 0.499 -2.801 -4.010 1.00 0.00 C ATOM 945 CG TYR A 65 1.771 -2.397 -4.719 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.859 -3.253 -4.778 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.892 -1.154 -5.312 1.00 0.00 C ATOM 948 CE1 TYR A 65 4.019 -2.885 -5.418 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.040 -0.778 -5.941 1.00 0.00 C ATOM 950 CZ TYR A 65 4.106 -1.643 -6.000 1.00 0.00 C ATOM 951 OH TYR A 65 5.262 -1.264 -6.643 1.00 0.00 O ATOM 0 H TYR A 65 1.293 -4.830 -5.726 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.067 -4.250 -4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.144 -1.926 -3.915 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.747 -3.126 -2.999 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.795 -4.226 -4.313 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.059 -0.467 -5.276 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.855 -3.567 -5.463 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.112 0.200 -6.393 1.00 0.00 H new ATOM 0 HH TYR A 65 5.847 -0.792 -6.014 1.00 0.00 H new ATOM 961 N GLY A 66 -2.194 -3.032 -5.860 1.00 0.00 N ATOM 962 CA GLY A 66 -2.972 -2.819 -7.046 1.00 0.00 C ATOM 963 C GLY A 66 -4.024 -1.765 -6.932 1.00 0.00 C ATOM 964 O GLY A 66 -4.125 -1.040 -5.943 1.00 0.00 O ATOM 0 H GLY A 66 -2.684 -2.868 -4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.299 -2.552 -7.861 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.450 -3.759 -7.322 1.00 0.00 H new ATOM 968 N TYR A 67 -4.850 -1.782 -7.945 1.00 0.00 N ATOM 969 CA TYR A 67 -5.886 -0.803 -8.173 1.00 0.00 C ATOM 970 C TYR A 67 -6.888 -1.390 -9.148 1.00 0.00 C ATOM 971 O TYR A 67 -6.514 -1.860 -10.224 1.00 0.00 O ATOM 972 CB TYR A 67 -5.295 0.474 -8.781 1.00 0.00 C ATOM 973 CG TYR A 67 -6.217 1.145 -9.780 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.466 1.594 -9.385 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.848 1.319 -11.108 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.325 2.196 -10.271 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.705 1.925 -12.009 1.00 0.00 C ATOM 978 CZ TYR A 67 -7.944 2.362 -11.584 1.00 0.00 C ATOM 979 OH TYR A 67 -8.802 2.969 -12.472 1.00 0.00 O ATOM 0 H TYR A 67 -4.820 -2.506 -8.663 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.362 -0.553 -7.225 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.065 1.177 -7.980 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.353 0.232 -9.272 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.771 1.468 -8.357 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.879 0.977 -11.441 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.295 2.538 -9.940 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.407 2.056 -13.039 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.156 3.792 -12.074 1.00 0.00 H new ATOM 989 N ASP A 68 -8.136 -1.392 -8.767 1.00 0.00 N ATOM 990 CA ASP A 68 -9.201 -1.600 -9.701 1.00 0.00 C ATOM 991 C ASP A 68 -10.363 -0.731 -9.271 1.00 0.00 C ATOM 992 O ASP A 68 -10.218 -0.063 -8.269 1.00 0.00 O ATOM 993 CB ASP A 68 -9.559 -3.066 -9.837 1.00 0.00 C ATOM 994 CG ASP A 68 -10.492 -3.306 -11.026 1.00 0.00 C ATOM 995 OD1 ASP A 68 -9.974 -3.541 -12.136 1.00 0.00 O ATOM 996 OD2 ASP A 68 -11.732 -3.222 -10.880 1.00 0.00 O ATOM 0 H ASP A 68 -8.440 -1.250 -7.804 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.893 -1.306 -10.704 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.650 -3.654 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.038 -3.411 -8.921 1.00 0.00 H new ATOM 1001 N SER A 69 -11.416 -0.638 -10.076 1.00 0.00 N ATOM 1002 CA SER A 69 -12.618 0.136 -9.773 1.00 0.00 C ATOM 1003 C SER A 69 -12.807 0.426 -8.270 1.00 0.00 C ATOM 1004 O SER A 69 -13.387 -0.384 -7.542 1.00 0.00 O ATOM 1005 CB SER A 69 -13.822 -0.627 -10.307 1.00 0.00 C ATOM 1006 OG SER A 69 -13.504 -1.248 -11.544 1.00 0.00 O ATOM 0 H SER A 69 -11.460 -1.110 -10.979 1.00 0.00 H new ATOM 0 HA SER A 69 -12.513 1.109 -10.253 1.00 0.00 H new ATOM 0 HB2 SER A 69 -14.133 -1.381 -9.584 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.663 0.054 -10.440 1.00 0.00 H new ATOM 0 HG SER A 69 -12.995 -2.068 -11.377 1.00 0.00 H new ATOM 1012 N ASN A 70 -12.316 1.601 -7.836 1.00 0.00 N ATOM 1013 CA ASN A 70 -12.273 2.015 -6.418 1.00 0.00 C ATOM 1014 C ASN A 70 -11.868 0.885 -5.466 1.00 0.00 C ATOM 1015 O ASN A 70 -12.401 0.757 -4.375 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.575 2.665 -5.948 1.00 0.00 C ATOM 1017 CG ASN A 70 -14.827 1.847 -6.201 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -15.230 1.012 -5.388 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -15.471 2.114 -7.318 1.00 0.00 N ATOM 0 H ASN A 70 -11.931 2.302 -8.469 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.488 2.770 -6.379 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.499 2.864 -4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.682 3.629 -6.445 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.337 1.622 -7.537 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.103 2.812 -7.964 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.899 0.097 -5.876 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.349 -0.973 -5.061 1.00 0.00 C ATOM 1028 C LEU A 71 -8.814 -0.889 -5.118 1.00 0.00 C ATOM 1029 O LEU A 71 -8.230 -1.139 -6.164 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.806 -2.336 -5.638 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.647 -3.263 -4.731 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.339 -4.745 -4.928 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.490 -2.928 -3.268 1.00 0.00 C ATOM 0 H LEU A 71 -10.463 0.179 -6.795 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.693 -0.879 -4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.383 -2.139 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.915 -2.885 -5.942 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.677 -3.082 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.964 -5.338 -4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.544 -5.025 -5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.289 -4.931 -4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.100 -3.607 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.444 -3.033 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.813 -1.902 -3.093 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.154 -0.540 -4.020 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.690 -0.546 -3.985 1.00 0.00 C ATOM 1047 C PHE A 72 -6.235 -1.687 -3.097 1.00 0.00 C ATOM 1048 O PHE A 72 -6.807 -1.917 -2.039 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.099 0.805 -3.511 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.062 0.713 -2.427 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.444 0.715 -1.105 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.701 0.640 -2.722 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.498 0.651 -0.115 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.772 0.582 -1.734 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.164 0.589 -0.443 1.00 0.00 C ATOM 0 H PHE A 72 -8.600 -0.252 -3.149 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.318 -0.690 -4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.657 1.310 -4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.915 1.434 -3.156 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.491 0.767 -0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.381 0.629 -3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.800 0.649 0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.722 0.530 -1.981 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.422 0.545 0.341 1.00 0.00 H new ATOM 1065 N SER A 73 -5.227 -2.406 -3.522 1.00 0.00 N ATOM 1066 CA SER A 73 -4.820 -3.594 -2.806 1.00 0.00 C ATOM 1067 C SER A 73 -3.319 -3.635 -2.587 1.00 0.00 C ATOM 1068 O SER A 73 -2.576 -2.876 -3.203 1.00 0.00 O ATOM 1069 CB SER A 73 -5.266 -4.822 -3.585 1.00 0.00 C ATOM 1070 OG SER A 73 -4.802 -6.021 -2.991 1.00 0.00 O ATOM 0 H SER A 73 -4.675 -2.194 -4.353 1.00 0.00 H new ATOM 0 HA SER A 73 -5.292 -3.580 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.354 -4.842 -3.640 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.896 -4.757 -4.608 1.00 0.00 H new ATOM 0 HG SER A 73 -5.152 -6.091 -2.078 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.895 -4.512 -1.689 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.494 -4.855 -1.523 1.00 0.00 C ATOM 1078 C PHE A 74 -1.370 -6.202 -0.801 1.00 0.00 C ATOM 1079 O PHE A 74 -2.102 -6.477 0.148 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.721 -3.750 -0.799 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.344 -3.230 0.459 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.588 -4.078 1.520 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.657 -1.882 0.593 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.137 -3.609 2.682 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.201 -1.412 1.768 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.441 -2.275 2.808 1.00 0.00 C ATOM 0 H PHE A 74 -3.519 -5.008 -1.052 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.043 -4.950 -2.511 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.274 -4.126 -0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.589 -2.915 -1.487 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.342 -5.126 1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.473 -1.202 -0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.331 -4.287 3.500 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.439 -0.364 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.870 -1.905 3.727 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.502 -7.070 -1.298 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.224 -8.321 -0.627 1.00 0.00 C ATOM 1098 C GLU A 75 0.849 -8.101 0.405 1.00 0.00 C ATOM 1099 O GLU A 75 2.012 -8.006 0.063 1.00 0.00 O ATOM 1100 CB GLU A 75 0.226 -9.416 -1.584 1.00 0.00 C ATOM 1101 CG GLU A 75 0.429 -10.754 -0.885 1.00 0.00 C ATOM 1102 CD GLU A 75 1.024 -11.821 -1.777 1.00 0.00 C ATOM 1103 OE1 GLU A 75 0.370 -12.220 -2.762 1.00 0.00 O ATOM 1104 OE2 GLU A 75 2.135 -12.298 -1.470 1.00 0.00 O ATOM 0 H GLU A 75 0.019 -6.927 -2.163 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.153 -8.653 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.516 -9.531 -2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.158 -9.115 -2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.080 -10.609 -0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.530 -11.104 -0.504 1.00 0.00 H new ATOM 1111 N SER A 76 0.473 -7.997 1.652 1.00 0.00 N ATOM 1112 CA SER A 76 1.452 -7.755 2.680 1.00 0.00 C ATOM 1113 C SER A 76 2.113 -9.072 3.092 1.00 0.00 C ATOM 1114 O SER A 76 1.442 -10.034 3.472 1.00 0.00 O ATOM 1115 CB SER A 76 0.790 -7.035 3.855 1.00 0.00 C ATOM 1116 OG SER A 76 -0.289 -7.788 4.393 1.00 0.00 O ATOM 0 H SER A 76 -0.490 -8.075 1.979 1.00 0.00 H new ATOM 0 HA SER A 76 2.243 -7.107 2.303 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.530 -6.853 4.634 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.426 -6.061 3.527 1.00 0.00 H new ATOM 0 HG SER A 76 -0.138 -8.742 4.226 1.00 0.00 H new ATOM 1250 N ILE A 86 -2.869 -10.603 0.925 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.570 -9.765 -0.040 1.00 0.00 C ATOM 1252 C ILE A 86 -4.715 -9.047 0.649 1.00 0.00 C ATOM 1253 O ILE A 86 -5.767 -9.629 0.920 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.095 -10.551 -1.258 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -2.913 -10.975 -2.126 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.066 -9.702 -2.055 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -3.069 -10.720 -3.610 1.00 0.00 C ATOM 0 HA ILE A 86 -2.847 -9.045 -0.424 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.627 -11.439 -0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.023 -10.452 -1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.737 -12.040 -1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.428 -10.270 -2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.909 -9.422 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.560 -8.802 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.174 -11.058 -4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.936 -11.265 -3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.210 -9.653 -3.783 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.481 -7.793 0.962 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.461 -6.982 1.637 1.00 0.00 C ATOM 1271 C PHE A 87 -5.843 -5.830 0.738 1.00 0.00 C ATOM 1272 O PHE A 87 -5.011 -4.988 0.390 1.00 0.00 O ATOM 1273 CB PHE A 87 -4.887 -6.483 2.961 1.00 0.00 C ATOM 1274 CG PHE A 87 -5.893 -5.957 3.949 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.260 -6.047 3.731 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.449 -5.375 5.117 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.154 -5.559 4.669 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.333 -4.889 6.055 1.00 0.00 C ATOM 1279 CZ PHE A 87 -7.684 -4.979 5.835 1.00 0.00 C ATOM 0 H PHE A 87 -3.607 -7.310 0.755 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.354 -7.567 1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.338 -7.300 3.429 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.166 -5.694 2.749 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.630 -6.501 2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.387 -5.299 5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.217 -5.631 4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.963 -4.437 6.963 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.379 -4.599 6.569 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.092 -5.819 0.338 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.573 -4.815 -0.568 1.00 0.00 C ATOM 1291 C ALA A 88 -8.587 -3.909 0.121 1.00 0.00 C ATOM 1292 O ALA A 88 -9.406 -4.353 0.936 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.156 -5.468 -1.798 1.00 0.00 C ATOM 0 H ALA A 88 -7.793 -6.500 0.630 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.738 -4.188 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.519 -4.700 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.387 -6.061 -2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.983 -6.116 -1.508 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.513 -2.634 -0.190 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.428 -1.665 0.358 1.00 0.00 C ATOM 1301 C PHE A 89 -10.100 -0.966 -0.779 1.00 0.00 C ATOM 1302 O PHE A 89 -9.458 -0.587 -1.754 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.733 -0.627 1.229 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.662 -1.204 2.067 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.430 -1.369 1.520 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.879 -1.585 3.375 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.410 -1.911 2.242 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.859 -2.130 4.120 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.618 -2.297 3.548 1.00 0.00 C ATOM 0 H PHE A 89 -7.819 -2.244 -0.827 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.141 -2.195 0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.310 0.150 0.592 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.471 -0.146 1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.256 -1.066 0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.856 -1.455 3.817 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.437 -2.038 1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.030 -2.424 5.145 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.811 -2.729 4.121 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.374 -0.790 -0.649 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.147 -0.155 -1.662 1.00 0.00 C ATOM 1321 C LYS A 90 -11.873 1.341 -1.605 1.00 0.00 C ATOM 1322 O LYS A 90 -12.570 2.098 -0.938 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.599 -0.465 -1.423 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.430 -0.616 -2.667 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.705 -1.371 -2.392 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.405 -0.786 -1.199 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.708 -1.453 -0.942 1.00 0.00 N ATOM 0 H LYS A 90 -11.909 -1.085 0.168 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.882 -0.517 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.668 -1.386 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.028 0.329 -0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.669 0.369 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.853 -1.139 -3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.358 -1.327 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.482 -2.423 -2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.768 -0.883 -0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.568 0.280 -1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.318 -0.821 -0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.171 -1.671 -1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.549 -2.334 -0.413 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.818 1.740 -2.282 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.363 3.113 -2.253 1.00 0.00 C ATOM 1343 C CYS A 91 -10.827 3.807 -3.514 1.00 0.00 C ATOM 1344 O CYS A 91 -10.482 3.379 -4.604 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.836 3.194 -2.172 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.216 4.894 -2.192 1.00 0.00 S ATOM 0 H CYS A 91 -10.253 1.124 -2.866 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.778 3.596 -1.368 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.499 2.701 -1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.404 2.646 -3.009 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.597 5.508 -1.111 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.604 4.867 -3.391 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.068 5.562 -4.580 1.00 0.00 C ATOM 1354 C ALA A 92 -10.916 6.266 -5.284 1.00 0.00 C ATOM 1355 O ALA A 92 -10.992 6.575 -6.470 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.181 6.527 -4.263 1.00 0.00 C ATOM 0 H ALA A 92 -11.921 5.259 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.473 4.812 -5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.501 7.027 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -14.023 5.983 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.826 7.270 -3.549 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.843 6.511 -4.543 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.598 6.962 -5.143 1.00 0.00 C ATOM 1364 C ARG A 93 -7.660 5.788 -5.296 1.00 0.00 C ATOM 1365 O ARG A 93 -6.474 5.966 -5.204 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.884 8.036 -4.303 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.316 9.464 -4.576 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.827 9.615 -4.583 1.00 0.00 C ATOM 1369 NE ARG A 93 -10.241 11.002 -4.763 1.00 0.00 N ATOM 1370 CZ ARG A 93 -11.454 11.463 -4.465 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -12.367 10.654 -3.941 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -11.753 12.736 -4.682 1.00 0.00 N ATOM 0 H ARG A 93 -9.811 6.405 -3.529 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.855 7.400 -6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.050 7.819 -3.248 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.811 7.958 -4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.890 10.122 -3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.916 9.785 -5.538 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.248 9.005 -5.383 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.233 9.235 -3.645 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.559 11.660 -5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.140 9.675 -3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.295 11.011 -3.714 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.053 13.364 -5.078 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.683 13.088 -4.453 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.200 4.589 -5.495 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.379 3.383 -5.627 1.00 0.00 C ATOM 1388 C ALA A 94 -6.270 3.604 -6.620 1.00 0.00 C ATOM 1389 O ALA A 94 -5.109 3.385 -6.331 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.208 2.229 -6.133 1.00 0.00 C ATOM 0 H ALA A 94 -9.204 4.424 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.972 3.160 -4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.580 1.343 -6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.019 2.029 -5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.625 2.480 -7.108 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.680 3.999 -7.807 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.757 4.350 -8.888 1.00 0.00 C ATOM 1398 C GLU A 95 -4.680 5.296 -8.394 1.00 0.00 C ATOM 1399 O GLU A 95 -3.494 4.985 -8.436 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.525 4.992 -10.048 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.770 5.753 -9.618 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.571 6.279 -10.787 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -9.098 5.463 -11.572 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -8.686 7.512 -10.928 1.00 0.00 O ATOM 0 H GLU A 95 -7.664 4.089 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.277 3.436 -9.238 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.860 5.674 -10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.813 4.214 -10.755 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.401 5.098 -9.017 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.478 6.587 -8.980 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.131 6.434 -7.920 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.278 7.464 -7.352 1.00 0.00 C ATOM 1413 C GLU A 96 -3.398 6.904 -6.237 1.00 0.00 C ATOM 1414 O GLU A 96 -2.198 7.154 -6.200 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.189 8.553 -6.801 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.489 9.808 -6.340 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.747 10.554 -7.425 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -2.655 10.112 -7.836 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -4.243 11.615 -7.851 1.00 0.00 O ATOM 0 H GLU A 96 -6.121 6.679 -7.916 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.612 7.859 -8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.912 8.822 -7.571 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.753 8.143 -5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.227 10.477 -5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.784 9.545 -5.552 1.00 0.00 H new ATOM 1426 N LEU A 97 -4.011 6.149 -5.336 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.338 5.576 -4.204 1.00 0.00 C ATOM 1428 C LEU A 97 -2.320 4.555 -4.647 1.00 0.00 C ATOM 1429 O LEU A 97 -1.133 4.725 -4.421 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.359 4.932 -3.285 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.940 4.927 -1.834 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.130 4.979 -0.950 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.195 3.667 -1.536 1.00 0.00 C ATOM 0 H LEU A 97 -5.004 5.921 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.813 6.367 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.307 5.461 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.533 3.906 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.311 5.799 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.810 4.975 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.694 5.889 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.762 4.111 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.892 3.662 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.838 2.809 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.310 3.609 -2.170 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.790 3.500 -5.283 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.911 2.474 -5.793 1.00 0.00 C ATOM 1447 C PHE A 98 -0.739 3.119 -6.528 1.00 0.00 C ATOM 1448 O PHE A 98 0.411 2.863 -6.198 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.674 1.527 -6.726 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.768 0.814 -7.666 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.802 -0.009 -7.160 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.834 1.018 -9.034 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.099 -0.621 -7.980 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -0.940 0.387 -9.873 1.00 0.00 C ATOM 1455 CZ PHE A 98 0.036 -0.429 -9.339 1.00 0.00 C ATOM 0 H PHE A 98 -3.781 3.333 -5.458 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.527 1.890 -4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.224 0.798 -6.131 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.411 2.095 -7.294 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.751 -0.177 -6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.588 1.673 -9.445 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.864 -1.258 -7.561 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.003 0.531 -10.942 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.749 -0.916 -9.988 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.063 3.975 -7.494 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.070 4.761 -8.241 1.00 0.00 C ATOM 1467 C ASN A 99 0.887 5.432 -7.309 1.00 0.00 C ATOM 1468 O ASN A 99 2.073 5.134 -7.341 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.753 5.845 -9.076 1.00 0.00 C ATOM 1470 CG ASN A 99 0.091 6.325 -10.244 1.00 0.00 C ATOM 1471 OD1 ASN A 99 0.077 7.510 -10.585 1.00 0.00 O ATOM 1472 ND2 ASN A 99 0.808 5.416 -10.880 1.00 0.00 N ATOM 0 H ASN A 99 -2.025 4.148 -7.786 1.00 0.00 H new ATOM 0 HA ASN A 99 0.465 4.069 -8.891 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.699 5.459 -9.455 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.989 6.694 -8.434 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.376 5.685 -11.683 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.794 4.445 -10.568 1.00 0.00 H new ATOM 1479 N MET A 100 0.361 6.320 -6.484 1.00 0.00 N ATOM 1480 CA MET A 100 1.163 7.066 -5.540 1.00 0.00 C ATOM 1481 C MET A 100 2.098 6.110 -4.824 1.00 0.00 C ATOM 1482 O MET A 100 3.300 6.311 -4.807 1.00 0.00 O ATOM 1483 CB MET A 100 0.249 7.764 -4.542 1.00 0.00 C ATOM 1484 CG MET A 100 0.916 8.861 -3.738 1.00 0.00 C ATOM 1485 SD MET A 100 0.142 9.129 -2.148 1.00 0.00 S ATOM 1486 CE MET A 100 -1.559 9.020 -2.644 1.00 0.00 C ATOM 0 H MET A 100 -0.634 6.542 -6.452 1.00 0.00 H new ATOM 0 HA MET A 100 1.753 7.820 -6.060 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.598 8.190 -5.080 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.152 7.020 -3.854 1.00 0.00 H new ATOM 0 HG2 MET A 100 1.965 8.607 -3.587 1.00 0.00 H new ATOM 0 HG3 MET A 100 0.892 9.789 -4.309 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.186 8.878 -1.764 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.849 9.939 -3.152 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.687 8.175 -3.321 1.00 0.00 H new ATOM 1496 N LEU A 101 1.529 5.038 -4.297 1.00 0.00 N ATOM 1497 CA LEU A 101 2.282 3.979 -3.652 1.00 0.00 C ATOM 1498 C LEU A 101 3.403 3.457 -4.547 1.00 0.00 C ATOM 1499 O LEU A 101 4.557 3.449 -4.127 1.00 0.00 O ATOM 1500 CB LEU A 101 1.303 2.861 -3.271 1.00 0.00 C ATOM 1501 CG LEU A 101 1.870 1.461 -3.094 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.903 1.417 -1.998 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.736 0.504 -2.798 1.00 0.00 C ATOM 0 H LEU A 101 0.522 4.879 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 101 2.766 4.369 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.813 3.146 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.529 2.816 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 101 2.369 1.165 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.286 0.401 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.723 2.092 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.448 1.726 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.134 -0.503 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.228 0.813 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.028 0.511 -3.627 1.00 0.00 H new ATOM 1515 N GLN A 102 3.087 3.039 -5.777 1.00 0.00 N ATOM 1516 CA GLN A 102 4.130 2.555 -6.681 1.00 0.00 C ATOM 1517 C GLN A 102 5.176 3.656 -6.898 1.00 0.00 C ATOM 1518 O GLN A 102 6.359 3.377 -7.068 1.00 0.00 O ATOM 1519 CB GLN A 102 3.604 2.079 -8.047 1.00 0.00 C ATOM 1520 CG GLN A 102 2.136 2.037 -8.223 1.00 0.00 C ATOM 1521 CD GLN A 102 1.765 2.212 -9.681 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.716 2.745 -10.023 1.00 0.00 O ATOM 1523 NE2 GLN A 102 2.645 1.778 -10.549 1.00 0.00 N ATOM 0 H GLN A 102 2.142 3.026 -6.161 1.00 0.00 H new ATOM 0 HA GLN A 102 4.570 1.683 -6.197 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.019 2.731 -8.816 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.996 1.079 -8.231 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.748 1.087 -7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.671 2.823 -7.628 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.507 1.339 -10.225 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.468 1.879 -11.548 1.00 0.00 H new ATOM 1532 N GLU A 103 4.720 4.910 -6.869 1.00 0.00 N ATOM 1533 CA GLU A 103 5.598 6.070 -7.028 1.00 0.00 C ATOM 1534 C GLU A 103 6.495 6.246 -5.828 1.00 0.00 C ATOM 1535 O GLU A 103 7.703 6.405 -5.966 1.00 0.00 O ATOM 1536 CB GLU A 103 4.793 7.344 -7.205 1.00 0.00 C ATOM 1537 CG GLU A 103 3.717 7.225 -8.247 1.00 0.00 C ATOM 1538 CD GLU A 103 3.182 8.568 -8.679 1.00 0.00 C ATOM 1539 OE1 GLU A 103 2.232 9.069 -8.051 1.00 0.00 O ATOM 1540 OE2 GLU A 103 3.724 9.142 -9.647 1.00 0.00 O ATOM 0 H GLU A 103 3.737 5.149 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 103 6.202 5.885 -7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.338 7.614 -6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.466 8.156 -7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.113 6.699 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.899 6.621 -7.853 1.00 0.00 H new ATOM 1547 N ILE A 104 5.895 6.253 -4.654 1.00 0.00 N ATOM 1548 CA ILE A 104 6.646 6.342 -3.425 1.00 0.00 C ATOM 1549 C ILE A 104 7.637 5.195 -3.357 1.00 0.00 C ATOM 1550 O ILE A 104 8.781 5.371 -2.938 1.00 0.00 O ATOM 1551 CB ILE A 104 5.735 6.341 -2.191 1.00 0.00 C ATOM 1552 CG1 ILE A 104 4.977 7.656 -2.115 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.558 6.143 -0.945 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.490 7.521 -2.270 1.00 0.00 C ATOM 0 H ILE A 104 4.884 6.198 -4.529 1.00 0.00 H new ATOM 0 HA ILE A 104 7.181 7.292 -3.422 1.00 0.00 H new ATOM 0 HB ILE A 104 5.020 5.522 -2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.189 8.129 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.352 8.324 -2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.904 6.143 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.084 5.190 -1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.283 6.952 -0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.026 8.505 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.264 7.078 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.098 6.881 -1.479 1.00 0.00 H new ATOM 1566 N MET A 105 7.195 4.036 -3.823 1.00 0.00 N ATOM 1567 CA MET A 105 8.057 2.876 -3.929 1.00 0.00 C ATOM 1568 C MET A 105 9.268 3.181 -4.809 1.00 0.00 C ATOM 1569 O MET A 105 10.402 2.824 -4.487 1.00 0.00 O ATOM 1570 CB MET A 105 7.299 1.691 -4.507 1.00 0.00 C ATOM 1571 CG MET A 105 6.271 1.109 -3.561 1.00 0.00 C ATOM 1572 SD MET A 105 6.040 -0.647 -3.828 1.00 0.00 S ATOM 1573 CE MET A 105 5.122 -1.066 -2.365 1.00 0.00 C ATOM 0 H MET A 105 6.237 3.877 -4.135 1.00 0.00 H new ATOM 0 HA MET A 105 8.399 2.625 -2.925 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.801 2.002 -5.425 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.012 0.912 -4.779 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.585 1.282 -2.532 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.320 1.625 -3.695 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.699 -1.767 -1.762 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.928 -0.163 -1.786 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.175 -1.525 -2.649 1.00 0.00 H new ATOM 1583 N GLN A 106 9.006 3.854 -5.923 1.00 0.00 N ATOM 1584 CA GLN A 106 10.042 4.226 -6.873 1.00 0.00 C ATOM 1585 C GLN A 106 10.974 5.294 -6.313 1.00 0.00 C ATOM 1586 O GLN A 106 12.192 5.215 -6.454 1.00 0.00 O ATOM 1587 CB GLN A 106 9.405 4.755 -8.144 1.00 0.00 C ATOM 1588 CG GLN A 106 8.695 3.689 -8.938 1.00 0.00 C ATOM 1589 CD GLN A 106 9.629 2.642 -9.503 1.00 0.00 C ATOM 1590 OE1 GLN A 106 10.863 3.031 -9.725 1.00 0.00 O flip ATOM 1591 NE2 GLN A 106 9.246 1.493 -9.719 1.00 0.00 N flip ATOM 0 H GLN A 106 8.069 4.156 -6.191 1.00 0.00 H new ATOM 0 HA GLN A 106 10.629 3.331 -7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.695 5.542 -7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.175 5.211 -8.766 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.957 3.202 -8.301 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.149 4.158 -9.756 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.277 1.235 -9.532 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.897 0.799 -10.085 1.00 0.00 H new ATOM 1600 N ASN A 107 10.379 6.281 -5.664 1.00 0.00 N ATOM 1601 CA ASN A 107 11.068 7.522 -5.343 1.00 0.00 C ATOM 1602 C ASN A 107 11.661 7.550 -3.936 1.00 0.00 C ATOM 1603 O ASN A 107 12.393 8.477 -3.603 1.00 0.00 O ATOM 1604 CB ASN A 107 10.107 8.698 -5.517 1.00 0.00 C ATOM 1605 CG ASN A 107 9.820 9.022 -6.971 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.545 9.785 -7.608 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.753 8.451 -7.502 1.00 0.00 N ATOM 0 H ASN A 107 9.410 6.246 -5.346 1.00 0.00 H new ATOM 0 HA ASN A 107 11.908 7.599 -6.034 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.169 8.471 -5.010 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.528 9.578 -5.031 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.505 8.637 -8.474 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.177 7.824 -6.940 1.00 0.00 H new ATOM 1614 N ASN A 108 11.350 6.569 -3.098 1.00 0.00 N ATOM 1615 CA ASN A 108 11.862 6.593 -1.726 1.00 0.00 C ATOM 1616 C ASN A 108 12.869 5.496 -1.463 1.00 0.00 C ATOM 1617 O ASN A 108 13.674 5.607 -0.536 1.00 0.00 O ATOM 1618 CB ASN A 108 10.732 6.527 -0.692 1.00 0.00 C ATOM 1619 CG ASN A 108 9.964 7.829 -0.648 1.00 0.00 C ATOM 1620 OD1 ASN A 108 8.945 7.941 -1.478 1.00 0.00 O flip ATOM 1621 ND2 ASN A 108 10.302 8.737 0.110 1.00 0.00 N flip ATOM 0 H ASN A 108 10.764 5.767 -3.330 1.00 0.00 H new ATOM 0 HA ASN A 108 12.374 7.549 -1.618 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.055 5.709 -0.939 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.147 6.311 0.293 1.00 0.00 H new ATOM 0 HD21 ASN A 108 11.097 8.609 0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 108 9.788 9.618 0.112 1.00 0.00 H new ATOM 1628 N SER A 109 12.804 4.431 -2.261 1.00 0.00 N ATOM 1629 CA SER A 109 13.652 3.243 -2.076 1.00 0.00 C ATOM 1630 C SER A 109 13.202 2.467 -0.833 1.00 0.00 C ATOM 1631 O SER A 109 13.287 1.239 -0.801 1.00 0.00 O ATOM 1632 CB SER A 109 15.135 3.632 -1.975 1.00 0.00 C ATOM 1633 OG SER A 109 15.530 4.433 -3.080 1.00 0.00 O ATOM 0 H SER A 109 12.165 4.362 -3.053 1.00 0.00 H new ATOM 0 HA SER A 109 13.541 2.599 -2.948 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.309 4.176 -1.047 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.749 2.732 -1.937 1.00 0.00 H new ATOM 0 HG SER A 109 16.477 4.669 -2.991 1.00 0.00 H new ATOM 1639 N ILE A 110 12.697 3.197 0.161 1.00 0.00 N ATOM 1640 CA ILE A 110 12.025 2.621 1.310 1.00 0.00 C ATOM 1641 C ILE A 110 12.967 1.838 2.209 1.00 0.00 C ATOM 1642 O ILE A 110 13.221 0.649 1.996 1.00 0.00 O ATOM 1643 CB ILE A 110 10.839 1.741 0.906 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.719 2.583 0.324 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.338 0.987 2.103 1.00 0.00 C ATOM 1646 CD1 ILE A 110 9.996 3.170 -1.033 1.00 0.00 C ATOM 0 H ILE A 110 12.747 4.215 0.185 1.00 0.00 H new ATOM 0 HA ILE A 110 11.647 3.470 1.879 1.00 0.00 H new ATOM 0 HB ILE A 110 11.173 1.036 0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.821 1.969 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.501 3.396 1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.494 0.362 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.136 0.358 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.019 1.693 2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 110 9.135 3.753 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.872 3.816 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 110 10.182 2.367 -1.746 1.00 0.00 H new ATOM 1884 N ALA B 496 -4.091 -10.283 -9.649 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.310 -9.558 -9.431 1.00 0.00 C ATOM 1886 C ALA B 496 -6.000 -10.145 -8.228 1.00 0.00 C ATOM 1887 O ALA B 496 -6.248 -11.351 -8.153 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.207 -9.544 -10.646 1.00 0.00 C ATOM 0 HA ALA B 496 -5.071 -8.511 -9.245 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -7.114 -8.982 -10.422 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.684 -9.074 -11.479 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.471 -10.567 -10.915 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.188 -9.301 -7.245 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.927 -9.676 -6.054 1.00 0.00 C ATOM 1896 C VAL B 497 -8.389 -9.485 -6.334 1.00 0.00 C ATOM 1897 O VAL B 497 -8.859 -8.379 -6.562 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.477 -8.860 -4.795 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.266 -8.046 -5.122 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.576 -7.951 -4.249 1.00 0.00 C ATOM 0 H VAL B 497 -5.839 -8.342 -7.241 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.722 -10.721 -5.819 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.246 -9.586 -4.015 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -4.959 -7.481 -4.242 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.456 -8.707 -5.430 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.500 -7.356 -5.933 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.203 -7.413 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.873 -7.237 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.438 -8.554 -3.962 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.128 -10.551 -6.405 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.491 -10.368 -6.773 1.00 0.00 C ATOM 1912 C ILE B 498 -11.293 -10.247 -5.517 1.00 0.00 C ATOM 1913 O ILE B 498 -11.906 -11.210 -5.060 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.103 -11.444 -7.692 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.249 -11.810 -8.925 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.464 -10.953 -8.172 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.922 -11.131 -9.054 1.00 0.00 C ATOM 0 H ILE B 498 -8.828 -11.509 -6.223 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.520 -9.464 -7.382 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.169 -12.352 -7.092 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -10.080 -12.887 -8.913 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.832 -11.589 -9.819 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.912 -11.703 -8.824 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.114 -10.784 -7.313 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.341 -10.020 -8.722 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.424 -11.475 -9.960 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -9.069 -10.052 -9.108 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.305 -11.370 -8.188 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.273 -9.061 -4.936 1.00 0.00 N ATOM 1930 CA ILE B 499 -11.917 -8.890 -3.670 1.00 0.00 C ATOM 1931 C ILE B 499 -13.389 -8.615 -3.921 1.00 0.00 C ATOM 1932 O ILE B 499 -13.812 -7.471 -4.107 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.223 -7.795 -2.806 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -10.007 -8.371 -2.057 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.189 -7.151 -1.828 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.074 -9.862 -1.792 1.00 0.00 C ATOM 0 H ILE B 499 -10.826 -8.227 -5.318 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.829 -9.802 -3.079 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.876 -7.020 -3.490 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.108 -8.159 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -9.904 -7.851 -1.105 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.665 -6.393 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -13.007 -6.685 -2.378 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.590 -7.912 -1.158 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.176 -10.178 -1.261 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -10.952 -10.085 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.143 -10.397 -2.739 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.135 -9.720 -3.971 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.566 -9.706 -4.218 1.00 0.00 C ATOM 1950 C GLY B 500 -15.996 -8.726 -5.285 1.00 0.00 C ATOM 1951 O GLY B 500 -15.985 -9.039 -6.477 1.00 0.00 O ATOM 0 H GLY B 500 -13.752 -10.656 -3.839 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -15.884 -10.707 -4.509 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.082 -9.465 -3.289 1.00 0.00 H new ATOM 1955 N MET B 501 -16.371 -7.539 -4.821 1.00 0.00 N ATOM 1956 CA MET B 501 -16.817 -6.449 -5.648 1.00 0.00 C ATOM 1957 C MET B 501 -15.917 -6.251 -6.860 1.00 0.00 C ATOM 1958 O MET B 501 -16.408 -6.120 -7.982 1.00 0.00 O ATOM 1959 CB MET B 501 -16.848 -5.188 -4.781 1.00 0.00 C ATOM 1960 CG MET B 501 -17.684 -4.072 -5.345 1.00 0.00 C ATOM 1961 SD MET B 501 -16.881 -3.170 -6.685 1.00 0.00 S ATOM 1962 CE MET B 501 -15.507 -2.410 -5.819 1.00 0.00 C ATOM 0 H MET B 501 -16.369 -7.313 -3.826 1.00 0.00 H new ATOM 0 HA MET B 501 -17.811 -6.671 -6.037 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.229 -5.449 -3.794 1.00 0.00 H new ATOM 0 HB3 MET B 501 -15.828 -4.829 -4.645 1.00 0.00 H new ATOM 0 HG2 MET B 501 -18.625 -4.483 -5.709 1.00 0.00 H new ATOM 0 HG3 MET B 501 -17.929 -3.374 -4.545 1.00 0.00 H new ATOM 0 HE1 MET B 501 -14.681 -2.255 -6.513 1.00 0.00 H new ATOM 0 HE2 MET B 501 -15.821 -1.450 -5.409 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.183 -3.062 -5.008 1.00 0.00 H new ATOM 1972 N THR B 502 -14.605 -6.254 -6.656 1.00 0.00 N ATOM 1973 CA THR B 502 -13.706 -5.929 -7.751 1.00 0.00 C ATOM 1974 C THR B 502 -12.414 -6.737 -7.764 1.00 0.00 C ATOM 1975 O THR B 502 -11.855 -7.080 -6.726 1.00 0.00 O ATOM 1976 CB THR B 502 -13.414 -4.416 -7.749 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.355 -3.730 -8.582 1.00 0.00 O ATOM 1978 CG2 THR B 502 -12.025 -4.098 -8.218 1.00 0.00 C ATOM 0 H THR B 502 -14.152 -6.471 -5.768 1.00 0.00 H new ATOM 0 HA THR B 502 -14.222 -6.210 -8.669 1.00 0.00 H new ATOM 0 HB THR B 502 -13.505 -4.081 -6.716 1.00 0.00 H new ATOM 0 HG1 THR B 502 -15.212 -3.653 -8.113 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.872 -3.019 -8.197 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.300 -4.580 -7.562 1.00 0.00 H new ATOM 0 HG23 THR B 502 -11.892 -4.464 -9.236 1.00 0.00 H new ATOM 1986 N LYS B 503 -11.980 -7.065 -8.977 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.705 -7.698 -9.202 1.00 0.00 C ATOM 1988 C LYS B 503 -9.581 -6.682 -9.341 1.00 0.00 C ATOM 1989 O LYS B 503 -9.559 -5.908 -10.283 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.797 -8.588 -10.435 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.523 -8.655 -11.255 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.421 -9.939 -12.059 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.771 -10.415 -12.575 1.00 0.00 C ATOM 1994 NZ LYS B 503 -11.303 -9.543 -13.651 1.00 0.00 N ATOM 0 H LYS B 503 -12.513 -6.894 -9.830 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.464 -8.309 -8.332 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -11.066 -9.597 -10.121 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.605 -8.226 -11.070 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.484 -7.801 -11.932 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.662 -8.575 -10.591 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.748 -9.783 -12.902 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -8.978 -10.718 -11.438 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.675 -11.434 -12.950 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.483 -10.445 -11.750 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -12.223 -9.907 -13.970 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -11.421 -8.576 -13.288 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -10.638 -9.534 -14.451 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.638 -6.721 -8.409 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.567 -5.757 -8.354 1.00 0.00 C ATOM 2010 C ILE B 504 -6.313 -6.266 -9.000 1.00 0.00 C ATOM 2011 O ILE B 504 -5.568 -7.029 -8.403 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.204 -5.390 -6.923 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.438 -4.958 -6.181 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.204 -4.269 -6.938 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.126 -4.186 -4.935 1.00 0.00 C ATOM 0 H ILE B 504 -8.601 -7.426 -7.673 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.944 -4.886 -8.890 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.773 -6.257 -6.423 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.055 -4.345 -6.838 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.026 -5.838 -5.920 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.941 -4.002 -5.914 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.309 -4.587 -7.472 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.636 -3.403 -7.439 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.055 -3.901 -4.441 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.533 -4.805 -4.262 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.563 -3.290 -5.194 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.022 -5.784 -10.184 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.829 -6.160 -10.894 1.00 0.00 C ATOM 2029 C PRO B 505 -3.637 -5.449 -10.273 1.00 0.00 C ATOM 2030 O PRO B 505 -3.405 -4.257 -10.498 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.136 -5.705 -12.313 1.00 0.00 C ATOM 2032 CG PRO B 505 -6.021 -4.523 -12.145 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.799 -4.769 -10.892 1.00 0.00 C ATOM 0 HA PRO B 505 -4.574 -7.219 -10.862 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.225 -5.445 -12.852 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.630 -6.492 -12.883 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.437 -3.606 -12.069 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.686 -4.408 -13.001 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.900 -3.859 -10.300 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.807 -5.120 -11.111 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.953 -6.163 -9.399 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.855 -5.590 -8.650 1.00 0.00 C ATOM 2043 C VAL B 506 -0.521 -5.755 -9.366 1.00 0.00 C ATOM 2044 O VAL B 506 -0.419 -6.414 -10.402 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.747 -6.242 -7.263 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.044 -6.117 -6.479 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.370 -7.690 -7.406 1.00 0.00 C ATOM 0 H VAL B 506 -3.141 -7.144 -9.191 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.070 -4.526 -8.553 1.00 0.00 H new ATOM 0 HB VAL B 506 -0.972 -5.715 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -2.927 -6.590 -5.504 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.287 -5.063 -6.344 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.849 -6.608 -7.026 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.295 -8.146 -6.419 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.132 -8.209 -7.988 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.409 -7.767 -7.915 1.00 0.00 H new ATOM 2057 N ILE B 507 0.491 -5.132 -8.789 1.00 0.00 N ATOM 2058 CA ILE B 507 1.854 -5.199 -9.276 1.00 0.00 C ATOM 2059 C ILE B 507 2.769 -5.533 -8.109 1.00 0.00 C ATOM 2060 O ILE B 507 2.393 -5.324 -6.957 1.00 0.00 O ATOM 2061 CB ILE B 507 2.282 -3.867 -9.923 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.528 -2.827 -8.866 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.180 -3.359 -10.825 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.140 -1.549 -9.385 1.00 0.00 C ATOM 0 H ILE B 507 0.385 -4.556 -7.954 1.00 0.00 H new ATOM 0 HA ILE B 507 1.922 -5.972 -10.042 1.00 0.00 H new ATOM 0 HB ILE B 507 3.194 -4.044 -10.493 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.583 -2.591 -8.377 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.184 -3.248 -8.104 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.487 -2.417 -11.280 1.00 0.00 H new ATOM 0 HG22 ILE B 507 0.983 -4.092 -11.607 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.274 -3.201 -10.239 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.284 -0.853 -8.559 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.102 -1.768 -9.847 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.476 -1.102 -10.124 1.00 0.00 H new ATOM 2076 N GLU B 508 3.943 -6.066 -8.385 1.00 0.00 N ATOM 2077 CA GLU B 508 4.838 -6.476 -7.315 1.00 0.00 C ATOM 2078 C GLU B 508 5.936 -5.442 -7.095 1.00 0.00 C ATOM 2079 O GLU B 508 6.489 -4.886 -8.045 1.00 0.00 O ATOM 2080 CB GLU B 508 5.410 -7.864 -7.600 1.00 0.00 C ATOM 2081 CG GLU B 508 4.329 -8.926 -7.688 1.00 0.00 C ATOM 2082 CD GLU B 508 4.869 -10.337 -7.694 1.00 0.00 C ATOM 2083 OE1 GLU B 508 5.525 -10.724 -8.680 1.00 0.00 O ATOM 2084 OE2 GLU B 508 4.630 -11.077 -6.710 1.00 0.00 O ATOM 0 H GLU B 508 4.298 -6.225 -9.328 1.00 0.00 H new ATOM 0 HA GLU B 508 4.267 -6.538 -6.388 1.00 0.00 H new ATOM 0 HB2 GLU B 508 5.969 -7.839 -8.536 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.116 -8.132 -6.814 1.00 0.00 H new ATOM 0 HG2 GLU B 508 3.647 -8.810 -6.845 1.00 0.00 H new ATOM 0 HG3 GLU B 508 3.746 -8.765 -8.594 1.00 0.00 H new ATOM 2091 N ASN B 509 6.221 -5.201 -5.820 1.00 0.00 N ATOM 2092 CA ASN B 509 7.084 -4.098 -5.379 1.00 0.00 C ATOM 2093 C ASN B 509 8.510 -4.206 -5.917 1.00 0.00 C ATOM 2094 O ASN B 509 9.012 -5.303 -6.174 1.00 0.00 O ATOM 2095 CB ASN B 509 7.141 -4.070 -3.850 1.00 0.00 C ATOM 2096 CG ASN B 509 7.925 -5.239 -3.281 1.00 0.00 C ATOM 2097 OD1 ASN B 509 9.135 -5.151 -3.094 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.245 -6.336 -2.993 1.00 0.00 N ATOM 0 H ASN B 509 5.859 -5.767 -5.053 1.00 0.00 H new ATOM 0 HA ASN B 509 6.647 -3.181 -5.775 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.597 -3.136 -3.523 1.00 0.00 H new ATOM 0 HB3 ASN B 509 6.127 -4.087 -3.450 1.00 0.00 H new ATOM 0 HD21 ASN B 509 7.726 -7.146 -2.602 1.00 0.00 H new ATOM 0 HD22 ASN B 509 6.240 -6.372 -3.162 1.00 0.00 H new ATOM 2105 N PRO B 510 9.172 -3.050 -6.108 1.00 0.00 N ATOM 2106 CA PRO B 510 10.599 -2.977 -6.418 1.00 0.00 C ATOM 2107 C PRO B 510 11.467 -3.022 -5.157 1.00 0.00 C ATOM 2108 O PRO B 510 12.689 -3.150 -5.239 1.00 0.00 O ATOM 2109 CB PRO B 510 10.753 -1.604 -7.099 1.00 0.00 C ATOM 2110 CG PRO B 510 9.380 -1.012 -7.160 1.00 0.00 C ATOM 2111 CD PRO B 510 8.579 -1.710 -6.106 1.00 0.00 C ATOM 0 HA PRO B 510 10.919 -3.818 -7.033 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.429 -0.963 -6.533 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.176 -1.710 -8.098 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.411 0.062 -6.978 1.00 0.00 H new ATOM 0 HG3 PRO B 510 8.937 -1.156 -8.145 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.672 -1.224 -5.135 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.517 -1.734 -6.350 1.00 0.00 H new ATOM 2119 N GLN B 511 10.827 -2.923 -3.992 1.00 0.00 N ATOM 2120 CA GLN B 511 11.537 -2.831 -2.716 1.00 0.00 C ATOM 2121 C GLN B 511 12.372 -4.078 -2.443 1.00 0.00 C ATOM 2122 O GLN B 511 13.510 -3.987 -1.991 1.00 0.00 O ATOM 2123 CB GLN B 511 10.546 -2.603 -1.574 1.00 0.00 C ATOM 2124 CG GLN B 511 10.101 -1.154 -1.394 1.00 0.00 C ATOM 2125 CD GLN B 511 10.260 -0.312 -2.645 1.00 0.00 C ATOM 2126 OE1 GLN B 511 9.369 -0.256 -3.481 1.00 0.00 O ATOM 2127 NE2 GLN B 511 11.393 0.361 -2.770 1.00 0.00 N ATOM 0 H GLN B 511 9.811 -2.904 -3.906 1.00 0.00 H new ATOM 0 HA GLN B 511 12.217 -1.982 -2.778 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.665 -3.220 -1.748 1.00 0.00 H new ATOM 0 HB3 GLN B 511 10.999 -2.948 -0.644 1.00 0.00 H new ATOM 0 HG2 GLN B 511 9.055 -1.139 -1.086 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.678 -0.703 -0.586 1.00 0.00 H new ATOM 0 HE21 GLN B 511 12.112 0.287 -2.050 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.547 0.953 -3.586 1.00 0.00 H new