USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 720 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.984 X(o=-0.98,f=-1.3!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.305 K(o=0.31,f=-4.3!) USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00957) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.1!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.16 K(o=-1.2,f=-1.9) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -0.626 K(o=-0.63,f=-3.3!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0178) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= 0 (180deg=-1.93e-05) USER MOD Single : A 70 GLN : amide:sc= 0.0338 K(o=0.034,f=-0.91) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.485 X(o=-0.49,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc=-0.00842 K(o=-0.0084,f=-1.3) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 165:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.137) USER MOD Single : A 87 THR OG1 : rot -80:sc= -0.731 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0475 USER MOD Single : A 92 ASN : amide:sc= -2.35! C(o=-2.4!,f=-6.7!) USER MOD Single : A 100 ASN : amide:sc= -0.815 K(o=-0.81,f=-5.9!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 165:sc= -1.15 (180deg=-1.68!) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -20.924 2.425 7.871 1.00 0.00 N ATOM 119 CA VAL A 11 -20.322 2.381 6.543 1.00 0.00 C ATOM 120 C VAL A 11 -20.053 0.944 6.109 1.00 0.00 C ATOM 121 O VAL A 11 -20.100 0.019 6.921 1.00 0.00 O ATOM 122 CB VAL A 11 -19.003 3.174 6.498 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.202 4.574 7.059 1.00 0.00 C ATOM 124 CG2 VAL A 11 -17.911 2.437 7.258 1.00 0.00 C ATOM 0 HA VAL A 11 -21.035 2.838 5.857 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.691 3.266 5.458 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.259 5.119 7.019 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.951 5.100 6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.539 4.507 8.094 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.986 3.012 7.215 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.213 2.312 8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.750 1.458 6.806 1.00 0.00 H new ATOM 134 N LYS A 12 -19.772 0.763 4.824 1.00 0.00 N ATOM 135 CA LYS A 12 -19.493 -0.561 4.280 1.00 0.00 C ATOM 136 C LYS A 12 -18.154 -1.086 4.787 1.00 0.00 C ATOM 137 O LYS A 12 -17.301 -0.316 5.226 1.00 0.00 O ATOM 138 CB LYS A 12 -19.490 -0.516 2.750 1.00 0.00 C ATOM 139 CG LYS A 12 -20.851 -0.780 2.131 1.00 0.00 C ATOM 140 CD LYS A 12 -20.902 -0.328 0.681 1.00 0.00 C ATOM 141 CE LYS A 12 -21.868 -1.174 -0.133 1.00 0.00 C ATOM 142 NZ LYS A 12 -22.475 -0.402 -1.252 1.00 0.00 N ATOM 0 H LYS A 12 -19.731 1.517 4.138 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.279 -1.238 4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.136 0.462 2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.780 -1.253 2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.078 -1.845 2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.619 -0.259 2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -21.205 0.718 0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -19.905 -0.390 0.244 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.343 -2.041 -0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -22.657 -1.552 0.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -23.127 -1.014 -1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -22.998 0.411 -0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -21.724 -0.063 -1.887 1.00 0.00 H new ATOM 156 N GLU A 13 -17.976 -2.402 4.720 1.00 0.00 N ATOM 157 CA GLU A 13 -16.739 -3.029 5.172 1.00 0.00 C ATOM 158 C GLU A 13 -15.938 -3.566 3.990 1.00 0.00 C ATOM 159 O GLU A 13 -16.152 -4.693 3.541 1.00 0.00 O ATOM 160 CB GLU A 13 -17.044 -4.163 6.153 1.00 0.00 C ATOM 161 CG GLU A 13 -18.004 -5.203 5.601 1.00 0.00 C ATOM 162 CD GLU A 13 -18.570 -6.106 6.680 1.00 0.00 C ATOM 163 OE1 GLU A 13 -18.891 -5.593 7.773 1.00 0.00 O ATOM 164 OE2 GLU A 13 -18.692 -7.323 6.432 1.00 0.00 O ATOM 0 H GLU A 13 -18.672 -3.054 4.358 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.142 -2.271 5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.111 -4.653 6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.465 -3.740 7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.823 -4.700 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.487 -5.811 4.858 1.00 0.00 H new ATOM 171 N LEU A 14 -15.015 -2.753 3.489 1.00 0.00 N ATOM 172 CA LEU A 14 -14.181 -3.145 2.358 1.00 0.00 C ATOM 173 C LEU A 14 -12.934 -3.884 2.832 1.00 0.00 C ATOM 174 O LEU A 14 -12.366 -3.562 3.877 1.00 0.00 O ATOM 175 CB LEU A 14 -13.780 -1.914 1.544 1.00 0.00 C ATOM 176 CG LEU A 14 -14.903 -0.928 1.219 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.337 0.342 0.603 1.00 0.00 C ATOM 178 CD2 LEU A 14 -15.921 -1.568 0.287 1.00 0.00 C ATOM 0 H LEU A 14 -14.825 -1.817 3.848 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.761 -3.817 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.002 -1.380 2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.338 -2.251 0.607 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.408 -0.662 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.151 1.031 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.647 0.811 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.807 0.095 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.713 -0.852 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.430 -1.863 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.350 -2.448 0.766 1.00 0.00 H new ATOM 190 N THR A 15 -12.510 -4.877 2.056 1.00 0.00 N ATOM 191 CA THR A 15 -11.329 -5.661 2.395 1.00 0.00 C ATOM 192 C THR A 15 -10.123 -5.224 1.571 1.00 0.00 C ATOM 193 O THR A 15 -9.924 -5.689 0.449 1.00 0.00 O ATOM 194 CB THR A 15 -11.571 -7.166 2.171 1.00 0.00 C ATOM 195 OG1 THR A 15 -12.643 -7.619 3.006 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.314 -7.967 2.473 1.00 0.00 C ATOM 0 H THR A 15 -12.967 -5.157 1.188 1.00 0.00 H new ATOM 0 HA THR A 15 -11.126 -5.486 3.452 1.00 0.00 H new ATOM 0 HB THR A 15 -11.836 -7.317 1.125 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.792 -8.576 2.857 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.509 -9.027 2.308 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.508 -7.640 1.817 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.023 -7.809 3.512 1.00 0.00 H new ATOM 204 N VAL A 16 -9.320 -4.328 2.136 1.00 0.00 N ATOM 205 CA VAL A 16 -8.132 -3.830 1.454 1.00 0.00 C ATOM 206 C VAL A 16 -6.946 -4.766 1.660 1.00 0.00 C ATOM 207 O VAL A 16 -6.584 -5.086 2.793 1.00 0.00 O ATOM 208 CB VAL A 16 -7.751 -2.421 1.947 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.478 -1.942 1.266 1.00 0.00 C ATOM 210 CG2 VAL A 16 -8.894 -1.446 1.707 1.00 0.00 C ATOM 0 H VAL A 16 -9.471 -3.932 3.064 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.374 -3.783 0.392 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.564 -2.469 3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.225 -0.945 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.663 -2.628 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.633 -1.909 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.608 -0.456 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.115 -1.400 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.779 -1.783 2.247 1.00 0.00 H new ATOM 220 N SER A 17 -6.345 -5.202 0.558 1.00 0.00 N ATOM 221 CA SER A 17 -5.201 -6.105 0.617 1.00 0.00 C ATOM 222 C SER A 17 -4.158 -5.729 -0.430 1.00 0.00 C ATOM 223 O SER A 17 -4.480 -5.540 -1.603 1.00 0.00 O ATOM 224 CB SER A 17 -5.655 -7.551 0.407 1.00 0.00 C ATOM 225 OG SER A 17 -4.649 -8.464 0.810 1.00 0.00 O ATOM 0 H SER A 17 -6.631 -4.945 -0.387 1.00 0.00 H new ATOM 0 HA SER A 17 -4.748 -6.014 1.604 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.567 -7.735 0.975 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.896 -7.711 -0.644 1.00 0.00 H new ATOM 0 HG SER A 17 -4.964 -9.381 0.668 1.00 0.00 H new ATOM 231 N ALA A 18 -2.906 -5.624 0.002 1.00 0.00 N ATOM 232 CA ALA A 18 -1.814 -5.273 -0.897 1.00 0.00 C ATOM 233 C ALA A 18 -1.323 -6.494 -1.668 1.00 0.00 C ATOM 234 O ALA A 18 -0.959 -6.397 -2.839 1.00 0.00 O ATOM 235 CB ALA A 18 -0.669 -4.644 -0.118 1.00 0.00 C ATOM 0 H ALA A 18 -2.623 -5.777 0.970 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.190 -4.547 -1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.139 -4.387 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.021 -3.742 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.303 -5.352 0.626 1.00 0.00 H new ATOM 241 N GLY A 19 -1.316 -7.645 -1.002 1.00 0.00 N ATOM 242 CA GLY A 19 -0.868 -8.869 -1.640 1.00 0.00 C ATOM 243 C GLY A 19 -0.117 -9.778 -0.688 1.00 0.00 C ATOM 244 O GLY A 19 -0.657 -10.780 -0.220 1.00 0.00 O ATOM 0 H GLY A 19 -1.613 -7.751 -0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.730 -9.402 -2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.224 -8.621 -2.484 1.00 0.00 H new ATOM 248 N ASP A 20 1.132 -9.429 -0.401 1.00 0.00 N ATOM 249 CA ASP A 20 1.959 -10.222 0.502 1.00 0.00 C ATOM 250 C ASP A 20 3.299 -9.537 0.753 1.00 0.00 C ATOM 251 O ASP A 20 3.698 -8.641 0.011 1.00 0.00 O ATOM 252 CB ASP A 20 2.187 -11.619 -0.076 1.00 0.00 C ATOM 253 CG ASP A 20 2.903 -12.538 0.895 1.00 0.00 C ATOM 254 OD1 ASP A 20 2.248 -13.033 1.835 1.00 0.00 O ATOM 255 OD2 ASP A 20 4.119 -12.760 0.716 1.00 0.00 O ATOM 0 H ASP A 20 1.594 -8.603 -0.780 1.00 0.00 H new ATOM 0 HA ASP A 20 1.433 -10.312 1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.227 -12.058 -0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.770 -11.539 -0.993 1.00 0.00 H new ATOM 260 N ASN A 21 3.988 -9.965 1.806 1.00 0.00 N ATOM 261 CA ASN A 21 5.282 -9.392 2.157 1.00 0.00 C ATOM 262 C ASN A 21 6.232 -9.422 0.963 1.00 0.00 C ATOM 263 O ASN A 21 6.346 -10.435 0.272 1.00 0.00 O ATOM 264 CB ASN A 21 5.899 -10.152 3.333 1.00 0.00 C ATOM 265 CG ASN A 21 6.020 -11.639 3.060 1.00 0.00 C ATOM 266 OD1 ASN A 21 6.723 -12.057 2.140 1.00 0.00 O ATOM 267 ND2 ASN A 21 5.332 -12.445 3.860 1.00 0.00 N ATOM 0 H ASN A 21 3.672 -10.707 2.431 1.00 0.00 H new ATOM 0 HA ASN A 21 5.124 -8.353 2.448 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.886 -9.743 3.549 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.289 -9.997 4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.373 -13.455 3.724 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.762 -12.054 4.610 1.00 0.00 H new ATOM 274 N LEU A 22 6.912 -8.305 0.727 1.00 0.00 N ATOM 275 CA LEU A 22 7.853 -8.203 -0.383 1.00 0.00 C ATOM 276 C LEU A 22 9.283 -8.055 0.128 1.00 0.00 C ATOM 277 O LEU A 22 9.530 -7.369 1.120 1.00 0.00 O ATOM 278 CB LEU A 22 7.493 -7.014 -1.275 1.00 0.00 C ATOM 279 CG LEU A 22 6.041 -6.949 -1.751 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.531 -8.338 -2.103 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.160 -6.308 -0.689 1.00 0.00 C ATOM 0 H LEU A 22 6.829 -7.458 1.289 1.00 0.00 H new ATOM 0 HA LEU A 22 7.788 -9.121 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.718 -6.096 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.141 -7.033 -2.151 1.00 0.00 H new ATOM 0 HG LEU A 22 6.001 -6.332 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.496 -8.271 -2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.145 -8.760 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.586 -8.979 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.130 -6.270 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.206 -6.898 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.512 -5.296 -0.487 1.00 0.00 H new ATOM 293 N ILE A 23 10.220 -8.701 -0.558 1.00 0.00 N ATOM 294 CA ILE A 23 11.626 -8.638 -0.175 1.00 0.00 C ATOM 295 C ILE A 23 12.508 -8.316 -1.376 1.00 0.00 C ATOM 296 O ILE A 23 12.622 -9.113 -2.307 1.00 0.00 O ATOM 297 CB ILE A 23 12.098 -9.962 0.454 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.309 -10.255 1.732 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.590 -9.908 0.746 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.471 -11.674 2.230 1.00 0.00 C ATOM 0 H ILE A 23 10.032 -9.273 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 23 11.717 -7.842 0.564 1.00 0.00 H new ATOM 0 HB ILE A 23 11.916 -10.769 -0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.629 -9.566 2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.252 -10.061 1.549 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.908 -10.851 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.137 -9.741 -0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.796 -9.093 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.884 -11.810 3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.124 -12.370 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.522 -11.866 2.445 1.00 0.00 H new ATOM 312 N ILE A 24 13.132 -7.143 -1.347 1.00 0.00 N ATOM 313 CA ILE A 24 14.007 -6.717 -2.432 1.00 0.00 C ATOM 314 C ILE A 24 15.475 -6.849 -2.039 1.00 0.00 C ATOM 315 O ILE A 24 15.819 -6.804 -0.857 1.00 0.00 O ATOM 316 CB ILE A 24 13.726 -5.259 -2.842 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.280 -4.442 -1.628 1.00 0.00 C ATOM 318 CG2 ILE A 24 12.671 -5.211 -3.936 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.213 -2.954 -1.893 1.00 0.00 C ATOM 0 H ILE A 24 13.048 -6.471 -0.584 1.00 0.00 H new ATOM 0 HA ILE A 24 13.800 -7.371 -3.279 1.00 0.00 H new ATOM 0 HB ILE A 24 14.646 -4.823 -3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.298 -4.790 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.969 -4.625 -0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.483 -4.174 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.025 -5.763 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.748 -5.661 -3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.890 -2.438 -0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.199 -2.592 -2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.502 -2.759 -2.696 1.00 0.00 H new ATOM 331 N THR A 25 16.337 -7.010 -3.037 1.00 0.00 N ATOM 332 CA THR A 25 17.768 -7.147 -2.797 1.00 0.00 C ATOM 333 C THR A 25 18.563 -6.139 -3.618 1.00 0.00 C ATOM 334 O THR A 25 18.420 -6.067 -4.840 1.00 0.00 O ATOM 335 CB THR A 25 18.260 -8.568 -3.133 1.00 0.00 C ATOM 336 OG1 THR A 25 17.424 -9.540 -2.494 1.00 0.00 O ATOM 337 CG2 THR A 25 19.702 -8.760 -2.687 1.00 0.00 C ATOM 0 H THR A 25 16.069 -7.049 -4.020 1.00 0.00 H new ATOM 0 HA THR A 25 17.930 -6.955 -1.736 1.00 0.00 H new ATOM 0 HB THR A 25 18.209 -8.701 -4.214 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.742 -10.440 -2.714 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.028 -9.770 -2.934 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.340 -8.038 -3.197 1.00 0.00 H new ATOM 0 HG23 THR A 25 19.773 -8.610 -1.610 1.00 0.00 H new ATOM 345 N LEU A 26 19.401 -5.362 -2.942 1.00 0.00 N ATOM 346 CA LEU A 26 20.221 -4.357 -3.610 1.00 0.00 C ATOM 347 C LEU A 26 20.950 -4.957 -4.808 1.00 0.00 C ATOM 348 O LEU A 26 21.182 -6.164 -4.883 1.00 0.00 O ATOM 349 CB LEU A 26 21.232 -3.760 -2.629 1.00 0.00 C ATOM 350 CG LEU A 26 20.691 -2.698 -1.671 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.744 -2.326 -0.638 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.238 -1.466 -2.441 1.00 0.00 C ATOM 0 H LEU A 26 19.531 -5.408 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 26 19.562 -3.566 -3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.657 -4.571 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.049 -3.321 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 26 19.829 -3.112 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.342 -1.569 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.020 -3.211 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.625 -1.931 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.856 -0.721 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 26 21.082 -1.049 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.451 -1.744 -3.142 1.00 0.00 H new ATOM 364 N PRO A 27 21.323 -4.096 -5.766 1.00 0.00 N ATOM 365 CA PRO A 27 21.052 -2.658 -5.687 1.00 0.00 C ATOM 366 C PRO A 27 19.569 -2.338 -5.841 1.00 0.00 C ATOM 367 O PRO A 27 19.123 -1.240 -5.506 1.00 0.00 O ATOM 368 CB PRO A 27 21.847 -2.082 -6.862 1.00 0.00 C ATOM 369 CG PRO A 27 21.962 -3.208 -7.830 1.00 0.00 C ATOM 370 CD PRO A 27 22.038 -4.461 -7.001 1.00 0.00 C ATOM 0 HA PRO A 27 21.334 -2.243 -4.719 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.334 -1.229 -7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 27 22.829 -1.733 -6.542 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.103 -3.235 -8.501 1.00 0.00 H new ATOM 0 HG3 PRO A 27 22.850 -3.098 -8.453 1.00 0.00 H new ATOM 0 HD2 PRO A 27 21.566 -5.305 -7.504 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.070 -4.747 -6.798 1.00 0.00 H new ATOM 378 N ASP A 28 18.810 -3.303 -6.348 1.00 0.00 N ATOM 379 CA ASP A 28 17.376 -3.125 -6.544 1.00 0.00 C ATOM 380 C ASP A 28 16.707 -2.645 -5.259 1.00 0.00 C ATOM 381 O ASP A 28 16.397 -3.442 -4.375 1.00 0.00 O ATOM 382 CB ASP A 28 16.736 -4.435 -7.008 1.00 0.00 C ATOM 383 CG ASP A 28 16.738 -4.576 -8.517 1.00 0.00 C ATOM 384 OD1 ASP A 28 16.777 -3.539 -9.211 1.00 0.00 O ATOM 385 OD2 ASP A 28 16.700 -5.725 -9.005 1.00 0.00 O ATOM 0 H ASP A 28 19.164 -4.217 -6.631 1.00 0.00 H new ATOM 0 HA ASP A 28 17.231 -2.366 -7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.273 -5.275 -6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.710 -4.485 -6.642 1.00 0.00 H new ATOM 390 N ASN A 29 16.489 -1.338 -5.164 1.00 0.00 N ATOM 391 CA ASN A 29 15.859 -0.751 -3.987 1.00 0.00 C ATOM 392 C ASN A 29 14.515 -0.123 -4.345 1.00 0.00 C ATOM 393 O ASN A 29 14.041 0.782 -3.661 1.00 0.00 O ATOM 394 CB ASN A 29 16.777 0.302 -3.363 1.00 0.00 C ATOM 395 CG ASN A 29 17.389 1.223 -4.400 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.915 1.302 -5.534 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.448 1.926 -4.016 1.00 0.00 N ATOM 0 H ASN A 29 16.739 -0.665 -5.888 1.00 0.00 H new ATOM 0 HA ASN A 29 15.686 -1.547 -3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.210 0.894 -2.644 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.573 -0.196 -2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.902 2.563 -4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.807 1.829 -3.066 1.00 0.00 H new ATOM 404 N GLU A 30 13.908 -0.612 -5.422 1.00 0.00 N ATOM 405 CA GLU A 30 12.620 -0.098 -5.871 1.00 0.00 C ATOM 406 C GLU A 30 11.534 -1.162 -5.739 1.00 0.00 C ATOM 407 O GLU A 30 11.720 -2.309 -6.147 1.00 0.00 O ATOM 408 CB GLU A 30 12.712 0.375 -7.323 1.00 0.00 C ATOM 409 CG GLU A 30 13.903 1.278 -7.595 1.00 0.00 C ATOM 410 CD GLU A 30 13.965 1.744 -9.037 1.00 0.00 C ATOM 411 OE1 GLU A 30 12.942 2.253 -9.540 1.00 0.00 O ATOM 412 OE2 GLU A 30 15.036 1.599 -9.662 1.00 0.00 O ATOM 0 H GLU A 30 14.287 -1.363 -5.999 1.00 0.00 H new ATOM 0 HA GLU A 30 12.355 0.748 -5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.770 -0.495 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.797 0.907 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.853 2.147 -6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.822 0.745 -7.350 1.00 0.00 H new ATOM 419 N VAL A 31 10.399 -0.773 -5.166 1.00 0.00 N ATOM 420 CA VAL A 31 9.283 -1.692 -4.980 1.00 0.00 C ATOM 421 C VAL A 31 7.962 -1.038 -5.369 1.00 0.00 C ATOM 422 O VAL A 31 7.749 0.148 -5.120 1.00 0.00 O ATOM 423 CB VAL A 31 9.192 -2.177 -3.521 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.438 -1.025 -2.558 1.00 0.00 C ATOM 425 CG2 VAL A 31 7.840 -2.823 -3.257 1.00 0.00 C ATOM 0 H VAL A 31 10.229 0.172 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 31 9.467 -2.548 -5.629 1.00 0.00 H new ATOM 0 HB VAL A 31 9.966 -2.927 -3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.370 -1.387 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.432 -0.612 -2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.689 -0.250 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.794 -3.160 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.048 -2.096 -3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.708 -3.676 -3.922 1.00 0.00 H new ATOM 435 N GLU A 32 7.078 -1.820 -5.981 1.00 0.00 N ATOM 436 CA GLU A 32 5.777 -1.316 -6.405 1.00 0.00 C ATOM 437 C GLU A 32 4.648 -2.082 -5.723 1.00 0.00 C ATOM 438 O GLU A 32 4.420 -3.259 -6.008 1.00 0.00 O ATOM 439 CB GLU A 32 5.635 -1.423 -7.925 1.00 0.00 C ATOM 440 CG GLU A 32 4.224 -1.160 -8.424 1.00 0.00 C ATOM 441 CD GLU A 32 4.186 -0.784 -9.893 1.00 0.00 C ATOM 442 OE1 GLU A 32 4.908 -1.421 -10.688 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.433 0.147 -10.247 1.00 0.00 O ATOM 0 H GLU A 32 7.239 -2.804 -6.194 1.00 0.00 H new ATOM 0 HA GLU A 32 5.709 -0.268 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.316 -0.714 -8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.943 -2.420 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.614 -2.049 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.778 -0.358 -7.836 1.00 0.00 H new ATOM 450 N LEU A 33 3.944 -1.408 -4.820 1.00 0.00 N ATOM 451 CA LEU A 33 2.838 -2.024 -4.096 1.00 0.00 C ATOM 452 C LEU A 33 1.499 -1.634 -4.713 1.00 0.00 C ATOM 453 O LEU A 33 1.317 -0.503 -5.165 1.00 0.00 O ATOM 454 CB LEU A 33 2.874 -1.611 -2.623 1.00 0.00 C ATOM 455 CG LEU A 33 4.260 -1.539 -1.980 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.263 -0.544 -0.831 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.696 -2.915 -1.498 1.00 0.00 C ATOM 0 H LEU A 33 4.120 -0.434 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 33 2.948 -3.106 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.400 -0.634 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.267 -2.315 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 33 4.972 -1.197 -2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.257 -0.506 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.995 0.444 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.539 -0.856 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.684 -2.845 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.983 -3.285 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.734 -3.602 -2.344 1.00 0.00 H new ATOM 469 N LYS A 34 0.562 -2.577 -4.725 1.00 0.00 N ATOM 470 CA LYS A 34 -0.763 -2.332 -5.283 1.00 0.00 C ATOM 471 C LYS A 34 -1.850 -2.670 -4.268 1.00 0.00 C ATOM 472 O LYS A 34 -1.814 -3.723 -3.632 1.00 0.00 O ATOM 473 CB LYS A 34 -0.963 -3.157 -6.556 1.00 0.00 C ATOM 474 CG LYS A 34 -2.269 -2.861 -7.273 1.00 0.00 C ATOM 475 CD LYS A 34 -2.362 -3.608 -8.593 1.00 0.00 C ATOM 476 CE LYS A 34 -3.358 -2.951 -9.536 1.00 0.00 C ATOM 477 NZ LYS A 34 -2.746 -1.823 -10.291 1.00 0.00 N ATOM 0 H LYS A 34 0.696 -3.518 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.837 -1.273 -5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.133 -2.967 -7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.930 -4.216 -6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.107 -3.142 -6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.351 -1.789 -7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.380 -3.640 -9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.660 -4.640 -8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.738 -3.694 -10.238 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.212 -2.585 -8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.431 -1.456 -10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.483 -1.065 -9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.897 -2.159 -10.789 1.00 0.00 H new ATOM 491 N ALA A 35 -2.818 -1.771 -4.124 1.00 0.00 N ATOM 492 CA ALA A 35 -3.918 -1.976 -3.190 1.00 0.00 C ATOM 493 C ALA A 35 -5.121 -2.601 -3.887 1.00 0.00 C ATOM 494 O ALA A 35 -5.587 -2.102 -4.911 1.00 0.00 O ATOM 495 CB ALA A 35 -4.310 -0.658 -2.538 1.00 0.00 C ATOM 0 H ALA A 35 -2.863 -0.894 -4.642 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.580 -2.666 -2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.133 -0.826 -1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.455 -0.251 -1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.623 0.049 -3.306 1.00 0.00 H new ATOM 501 N PHE A 36 -5.620 -3.698 -3.326 1.00 0.00 N ATOM 502 CA PHE A 36 -6.769 -4.393 -3.895 1.00 0.00 C ATOM 503 C PHE A 36 -7.994 -4.246 -2.997 1.00 0.00 C ATOM 504 O PHE A 36 -7.950 -4.571 -1.810 1.00 0.00 O ATOM 505 CB PHE A 36 -6.446 -5.874 -4.099 1.00 0.00 C ATOM 506 CG PHE A 36 -5.650 -6.149 -5.343 1.00 0.00 C ATOM 507 CD1 PHE A 36 -6.282 -6.296 -6.567 1.00 0.00 C ATOM 508 CD2 PHE A 36 -4.270 -6.261 -5.287 1.00 0.00 C ATOM 509 CE1 PHE A 36 -5.553 -6.549 -7.713 1.00 0.00 C ATOM 510 CE2 PHE A 36 -3.536 -6.514 -6.431 1.00 0.00 C ATOM 511 CZ PHE A 36 -4.178 -6.659 -7.645 1.00 0.00 C ATOM 0 H PHE A 36 -5.247 -4.125 -2.478 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.993 -3.941 -4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.891 -6.239 -3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.378 -6.438 -4.141 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.357 -6.212 -6.626 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.763 -6.150 -4.340 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.058 -6.661 -8.661 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.461 -6.598 -6.375 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.606 -6.858 -8.539 1.00 0.00 H new ATOM 521 N VAL A 37 -9.086 -3.754 -3.572 1.00 0.00 N ATOM 522 CA VAL A 37 -10.324 -3.564 -2.824 1.00 0.00 C ATOM 523 C VAL A 37 -11.393 -4.555 -3.271 1.00 0.00 C ATOM 524 O VAL A 37 -11.716 -4.644 -4.455 1.00 0.00 O ATOM 525 CB VAL A 37 -10.866 -2.132 -2.991 1.00 0.00 C ATOM 526 CG1 VAL A 37 -12.149 -1.950 -2.193 1.00 0.00 C ATOM 527 CG2 VAL A 37 -9.817 -1.114 -2.569 1.00 0.00 C ATOM 0 H VAL A 37 -9.139 -3.480 -4.553 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.089 -3.736 -1.774 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.095 -1.969 -4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.517 -0.932 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.901 -2.656 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.949 -2.131 -1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.216 -0.107 -2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.555 -1.274 -1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.927 -1.230 -3.188 1.00 0.00 H new ATOM 537 N ALA A 38 -11.939 -5.299 -2.314 1.00 0.00 N ATOM 538 CA ALA A 38 -12.974 -6.282 -2.608 1.00 0.00 C ATOM 539 C ALA A 38 -14.222 -6.033 -1.769 1.00 0.00 C ATOM 540 O ALA A 38 -14.174 -5.983 -0.540 1.00 0.00 O ATOM 541 CB ALA A 38 -12.448 -7.690 -2.369 1.00 0.00 C ATOM 0 H ALA A 38 -11.681 -5.239 -1.329 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.248 -6.181 -3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.232 -8.414 -2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.590 -7.873 -3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.145 -7.793 -1.327 1.00 0.00 H new ATOM 547 N PRO A 39 -15.369 -5.870 -2.446 1.00 0.00 N ATOM 548 CA PRO A 39 -15.438 -5.926 -3.910 1.00 0.00 C ATOM 549 C PRO A 39 -14.765 -4.727 -4.568 1.00 0.00 C ATOM 550 O PRO A 39 -14.631 -3.666 -3.959 1.00 0.00 O ATOM 551 CB PRO A 39 -16.942 -5.917 -4.194 1.00 0.00 C ATOM 552 CG PRO A 39 -17.548 -5.246 -3.010 1.00 0.00 C ATOM 553 CD PRO A 39 -16.685 -5.619 -1.836 1.00 0.00 C ATOM 0 HA PRO A 39 -14.920 -6.798 -4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.168 -5.377 -5.114 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.328 -6.929 -4.316 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.576 -4.165 -3.146 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.576 -5.575 -2.859 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.640 -4.817 -1.099 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.065 -6.502 -1.323 1.00 0.00 H new ATOM 561 N ALA A 40 -14.343 -4.902 -5.816 1.00 0.00 N ATOM 562 CA ALA A 40 -13.686 -3.833 -6.558 1.00 0.00 C ATOM 563 C ALA A 40 -14.699 -2.813 -7.064 1.00 0.00 C ATOM 564 O ALA A 40 -15.826 -3.149 -7.430 1.00 0.00 O ATOM 565 CB ALA A 40 -12.889 -4.409 -7.719 1.00 0.00 C ATOM 0 H ALA A 40 -14.444 -5.774 -6.335 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.002 -3.321 -5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.404 -3.600 -8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.132 -5.094 -7.336 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.559 -4.947 -8.389 1.00 0.00 H new ATOM 571 N PRO A 41 -14.293 -1.535 -7.085 1.00 0.00 N ATOM 572 CA PRO A 41 -15.152 -0.438 -7.544 1.00 0.00 C ATOM 573 C PRO A 41 -15.400 -0.487 -9.048 1.00 0.00 C ATOM 574 O PRO A 41 -14.620 -1.056 -9.812 1.00 0.00 O ATOM 575 CB PRO A 41 -14.355 0.815 -7.173 1.00 0.00 C ATOM 576 CG PRO A 41 -12.935 0.365 -7.139 1.00 0.00 C ATOM 577 CD PRO A 41 -12.964 -1.061 -6.663 1.00 0.00 C ATOM 0 HA PRO A 41 -16.143 -0.479 -7.092 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.501 1.609 -7.906 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.668 1.212 -6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.479 0.438 -8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.344 0.988 -6.468 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.166 -1.651 -7.113 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.839 -1.126 -5.582 1.00 0.00 H new ATOM 585 N PRO A 42 -16.510 0.124 -9.485 1.00 0.00 N ATOM 586 CA PRO A 42 -16.886 0.165 -10.902 1.00 0.00 C ATOM 587 C PRO A 42 -15.956 1.053 -11.722 1.00 0.00 C ATOM 588 O PRO A 42 -14.870 1.417 -11.271 1.00 0.00 O ATOM 589 CB PRO A 42 -18.300 0.750 -10.877 1.00 0.00 C ATOM 590 CG PRO A 42 -18.359 1.545 -9.618 1.00 0.00 C ATOM 591 CD PRO A 42 -17.485 0.823 -8.631 1.00 0.00 C ATOM 0 HA PRO A 42 -16.825 -0.818 -11.369 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -18.485 1.376 -11.750 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.054 -0.037 -10.884 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -18.004 2.563 -9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -19.383 1.620 -9.251 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -16.995 1.515 -7.946 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.059 0.125 -8.022 1.00 0.00 H new ATOM 599 N VAL A 43 -16.390 1.399 -12.930 1.00 0.00 N ATOM 600 CA VAL A 43 -15.597 2.246 -13.813 1.00 0.00 C ATOM 601 C VAL A 43 -15.788 3.721 -13.478 1.00 0.00 C ATOM 602 O VAL A 43 -14.881 4.531 -13.661 1.00 0.00 O ATOM 603 CB VAL A 43 -15.964 2.014 -15.291 1.00 0.00 C ATOM 604 CG1 VAL A 43 -17.464 2.159 -15.498 1.00 0.00 C ATOM 605 CG2 VAL A 43 -15.199 2.977 -16.187 1.00 0.00 C ATOM 0 H VAL A 43 -17.286 1.106 -13.319 1.00 0.00 H new ATOM 0 HA VAL A 43 -14.553 1.974 -13.659 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.680 0.997 -15.562 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -17.704 1.992 -16.548 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.988 1.426 -14.885 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -17.776 3.163 -15.210 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -15.470 2.799 -17.228 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.450 4.003 -15.917 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.128 2.820 -16.059 1.00 0.00 H new ATOM 615 N GLU A 44 -16.976 4.061 -12.986 1.00 0.00 N ATOM 616 CA GLU A 44 -17.286 5.439 -12.626 1.00 0.00 C ATOM 617 C GLU A 44 -16.814 5.751 -11.209 1.00 0.00 C ATOM 618 O GLU A 44 -15.891 6.540 -11.008 1.00 0.00 O ATOM 619 CB GLU A 44 -18.790 5.694 -12.742 1.00 0.00 C ATOM 620 CG GLU A 44 -19.290 5.749 -14.176 1.00 0.00 C ATOM 621 CD GLU A 44 -20.790 5.948 -14.264 1.00 0.00 C ATOM 622 OE1 GLU A 44 -21.532 4.972 -14.028 1.00 0.00 O ATOM 623 OE2 GLU A 44 -21.223 7.079 -14.569 1.00 0.00 O ATOM 0 H GLU A 44 -17.738 3.402 -12.828 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.759 6.095 -13.319 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.325 4.908 -12.210 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.030 6.635 -12.246 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.788 6.562 -14.701 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -19.019 4.825 -14.687 1.00 0.00 H new ATOM 630 N THR A 45 -17.455 5.124 -10.227 1.00 0.00 N ATOM 631 CA THR A 45 -17.104 5.335 -8.828 1.00 0.00 C ATOM 632 C THR A 45 -15.718 4.780 -8.520 1.00 0.00 C ATOM 633 O THR A 45 -15.392 3.651 -8.890 1.00 0.00 O ATOM 634 CB THR A 45 -18.129 4.676 -7.886 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.440 5.182 -8.158 1.00 0.00 O ATOM 636 CG2 THR A 45 -17.772 4.936 -6.430 1.00 0.00 C ATOM 0 H THR A 45 -18.220 4.466 -10.375 1.00 0.00 H new ATOM 0 HA THR A 45 -17.107 6.412 -8.660 1.00 0.00 H new ATOM 0 HB THR A 45 -18.111 3.600 -8.061 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.086 4.757 -7.556 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.510 4.461 -5.784 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.785 4.524 -6.218 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.764 6.010 -6.243 1.00 0.00 H new ATOM 644 N THR A 46 -14.903 5.580 -7.839 1.00 0.00 N ATOM 645 CA THR A 46 -13.551 5.169 -7.482 1.00 0.00 C ATOM 646 C THR A 46 -13.220 5.556 -6.045 1.00 0.00 C ATOM 647 O THR A 46 -13.655 6.600 -5.558 1.00 0.00 O ATOM 648 CB THR A 46 -12.506 5.795 -8.424 1.00 0.00 C ATOM 649 OG1 THR A 46 -12.605 7.223 -8.387 1.00 0.00 O ATOM 650 CG2 THR A 46 -12.701 5.305 -9.851 1.00 0.00 C ATOM 0 H THR A 46 -15.156 6.516 -7.524 1.00 0.00 H new ATOM 0 HA THR A 46 -13.514 4.084 -7.581 1.00 0.00 H new ATOM 0 HB THR A 46 -11.516 5.491 -8.084 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.936 7.613 -8.987 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.951 5.761 -10.498 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.595 4.221 -9.881 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.696 5.582 -10.198 1.00 0.00 H new ATOM 658 N TYR A 47 -12.448 4.711 -5.372 1.00 0.00 N ATOM 659 CA TYR A 47 -12.060 4.965 -3.990 1.00 0.00 C ATOM 660 C TYR A 47 -10.766 5.770 -3.926 1.00 0.00 C ATOM 661 O TYR A 47 -10.095 5.969 -4.938 1.00 0.00 O ATOM 662 CB TYR A 47 -11.890 3.645 -3.235 1.00 0.00 C ATOM 663 CG TYR A 47 -13.106 2.749 -3.300 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.370 3.236 -2.987 1.00 0.00 C ATOM 665 CD2 TYR A 47 -12.992 1.417 -3.676 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.483 2.420 -3.044 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.101 0.594 -3.738 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.344 1.101 -3.421 1.00 0.00 C ATOM 669 OH TYR A 47 -16.451 0.286 -3.480 1.00 0.00 O ATOM 0 H TYR A 47 -12.078 3.844 -5.761 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.852 5.547 -3.519 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.033 3.110 -3.644 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.663 3.860 -2.191 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.484 4.269 -2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.020 1.017 -3.924 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.457 2.813 -2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -13.995 -0.440 -4.033 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.181 -0.612 -3.763 1.00 0.00 H new ATOM 679 N ASN A 48 -10.422 6.231 -2.728 1.00 0.00 N ATOM 680 CA ASN A 48 -9.208 7.015 -2.530 1.00 0.00 C ATOM 681 C ASN A 48 -8.123 6.178 -1.861 1.00 0.00 C ATOM 682 O ASN A 48 -8.347 5.579 -0.808 1.00 0.00 O ATOM 683 CB ASN A 48 -9.508 8.253 -1.683 1.00 0.00 C ATOM 684 CG ASN A 48 -10.052 9.402 -2.510 1.00 0.00 C ATOM 685 OD1 ASN A 48 -9.911 9.422 -3.733 1.00 0.00 O ATOM 686 ND2 ASN A 48 -10.677 10.366 -1.845 1.00 0.00 N ATOM 0 H ASN A 48 -10.967 6.075 -1.880 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.846 7.331 -3.508 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.229 7.993 -0.908 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.597 8.573 -1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.064 11.165 -2.348 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.771 10.308 -0.831 1.00 0.00 H new ATOM 693 N TYR A 49 -6.947 6.142 -2.477 1.00 0.00 N ATOM 694 CA TYR A 49 -5.827 5.377 -1.942 1.00 0.00 C ATOM 695 C TYR A 49 -4.830 6.291 -1.237 1.00 0.00 C ATOM 696 O TYR A 49 -4.137 7.081 -1.877 1.00 0.00 O ATOM 697 CB TYR A 49 -5.126 4.607 -3.063 1.00 0.00 C ATOM 698 CG TYR A 49 -6.063 3.761 -3.895 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.372 2.459 -3.520 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.639 4.262 -5.055 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.227 1.681 -4.277 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.496 3.493 -5.817 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.787 2.203 -5.424 1.00 0.00 C ATOM 704 OH TYR A 49 -8.640 1.433 -6.181 1.00 0.00 O ATOM 0 H TYR A 49 -6.744 6.634 -3.347 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.220 4.668 -1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.615 5.316 -3.715 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.360 3.965 -2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.936 2.048 -2.621 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.413 5.271 -5.367 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.455 0.670 -3.972 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.936 3.899 -6.716 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.948 1.950 -6.955 1.00 0.00 H new ATOM 714 N GLU A 50 -4.764 6.176 0.085 1.00 0.00 N ATOM 715 CA GLU A 50 -3.852 6.993 0.878 1.00 0.00 C ATOM 716 C GLU A 50 -2.845 6.119 1.620 1.00 0.00 C ATOM 717 O GLU A 50 -3.179 5.475 2.615 1.00 0.00 O ATOM 718 CB GLU A 50 -4.635 7.848 1.877 1.00 0.00 C ATOM 719 CG GLU A 50 -3.761 8.501 2.934 1.00 0.00 C ATOM 720 CD GLU A 50 -4.432 9.693 3.590 1.00 0.00 C ATOM 721 OE1 GLU A 50 -5.679 9.717 3.644 1.00 0.00 O ATOM 722 OE2 GLU A 50 -3.708 10.602 4.048 1.00 0.00 O ATOM 0 H GLU A 50 -5.330 5.526 0.630 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.308 7.648 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.175 8.624 1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.382 7.225 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.509 7.765 3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.824 8.821 2.478 1.00 0.00 H new ATOM 729 N TRP A 51 -1.611 6.101 1.129 1.00 0.00 N ATOM 730 CA TRP A 51 -0.554 5.306 1.745 1.00 0.00 C ATOM 731 C TRP A 51 0.164 6.102 2.829 1.00 0.00 C ATOM 732 O TRP A 51 0.135 7.332 2.831 1.00 0.00 O ATOM 733 CB TRP A 51 0.448 4.845 0.685 1.00 0.00 C ATOM 734 CG TRP A 51 -0.126 3.857 -0.285 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.820 4.139 -1.427 1.00 0.00 C ATOM 736 CD2 TRP A 51 -0.057 2.430 -0.197 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.187 2.973 -2.054 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.730 1.910 -1.320 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.509 1.540 0.720 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.851 0.542 -1.548 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.388 0.183 0.493 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.287 -0.306 -0.634 1.00 0.00 C ATOM 0 H TRP A 51 -1.317 6.628 0.306 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.013 4.431 2.207 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.811 5.714 0.136 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.310 4.398 1.180 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -1.047 5.133 -1.785 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.714 2.909 -2.925 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.032 1.907 1.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.371 0.163 -2.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.821 -0.513 1.196 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.363 -1.373 -0.784 1.00 0.00 H new ATOM 753 N ASN A 52 0.808 5.392 3.750 1.00 0.00 N ATOM 754 CA ASN A 52 1.533 6.033 4.840 1.00 0.00 C ATOM 755 C ASN A 52 2.540 5.071 5.464 1.00 0.00 C ATOM 756 O ASN A 52 2.249 3.889 5.656 1.00 0.00 O ATOM 757 CB ASN A 52 0.556 6.529 5.908 1.00 0.00 C ATOM 758 CG ASN A 52 0.000 7.903 5.589 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.728 8.896 5.596 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.296 7.966 5.308 1.00 0.00 N ATOM 0 H ASN A 52 0.842 4.373 3.763 1.00 0.00 H new ATOM 0 HA ASN A 52 2.076 6.884 4.430 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.267 5.820 6.002 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.062 6.560 6.873 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.727 8.864 5.086 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.861 7.117 5.314 1.00 0.00 H new ATOM 767 N LEU A 53 3.724 5.584 5.778 1.00 0.00 N ATOM 768 CA LEU A 53 4.775 4.771 6.381 1.00 0.00 C ATOM 769 C LEU A 53 4.683 4.804 7.903 1.00 0.00 C ATOM 770 O LEU A 53 5.255 5.680 8.551 1.00 0.00 O ATOM 771 CB LEU A 53 6.151 5.265 5.931 1.00 0.00 C ATOM 772 CG LEU A 53 7.346 4.423 6.378 1.00 0.00 C ATOM 773 CD1 LEU A 53 7.250 3.016 5.808 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.651 5.083 5.958 1.00 0.00 C ATOM 0 H LEU A 53 3.981 6.559 5.625 1.00 0.00 H new ATOM 0 HA LEU A 53 4.639 3.742 6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.157 5.319 4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.289 6.281 6.301 1.00 0.00 H new ATOM 0 HG LEU A 53 7.331 4.354 7.466 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.109 2.431 6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.333 2.543 6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.239 3.065 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.491 4.469 6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.675 5.183 4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.723 6.070 6.415 1.00 0.00 H new ATOM 786 N ILE A 54 3.960 3.842 8.468 1.00 0.00 N ATOM 787 CA ILE A 54 3.796 3.759 9.914 1.00 0.00 C ATOM 788 C ILE A 54 4.976 3.040 10.560 1.00 0.00 C ATOM 789 O ILE A 54 5.265 3.237 11.740 1.00 0.00 O ATOM 790 CB ILE A 54 2.495 3.028 10.292 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.594 1.544 9.933 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.305 3.669 9.592 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.931 1.194 8.619 1.00 0.00 C ATOM 0 H ILE A 54 3.479 3.110 7.946 1.00 0.00 H new ATOM 0 HA ILE A 54 3.749 4.783 10.286 1.00 0.00 H new ATOM 0 HB ILE A 54 2.348 3.113 11.369 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.645 1.259 9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.138 0.955 10.729 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.392 3.141 9.869 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.226 4.714 9.893 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.444 3.612 8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.041 0.126 8.429 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.872 1.447 8.667 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.402 1.756 7.813 1.00 0.00 H new ATOM 805 N SER A 55 5.655 2.207 9.778 1.00 0.00 N ATOM 806 CA SER A 55 6.803 1.457 10.275 1.00 0.00 C ATOM 807 C SER A 55 8.054 1.779 9.463 1.00 0.00 C ATOM 808 O SER A 55 8.012 1.843 8.234 1.00 0.00 O ATOM 809 CB SER A 55 6.519 -0.045 10.221 1.00 0.00 C ATOM 810 OG SER A 55 7.294 -0.745 11.178 1.00 0.00 O ATOM 0 H SER A 55 5.430 2.034 8.798 1.00 0.00 H new ATOM 0 HA SER A 55 6.977 1.750 11.310 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.460 -0.225 10.404 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.739 -0.424 9.223 1.00 0.00 H new ATOM 0 HG SER A 55 7.093 -1.703 11.125 1.00 0.00 H new ATOM 816 N HIS A 56 9.168 1.980 10.160 1.00 0.00 N ATOM 817 CA HIS A 56 10.433 2.294 9.506 1.00 0.00 C ATOM 818 C HIS A 56 11.571 2.350 10.521 1.00 0.00 C ATOM 819 O HIS A 56 11.398 2.784 11.660 1.00 0.00 O ATOM 820 CB HIS A 56 10.330 3.627 8.764 1.00 0.00 C ATOM 821 CG HIS A 56 10.091 4.798 9.666 1.00 0.00 C ATOM 822 ND1 HIS A 56 11.045 5.285 10.535 1.00 0.00 N ATOM 823 CD2 HIS A 56 8.999 5.581 9.830 1.00 0.00 C ATOM 824 CE1 HIS A 56 10.549 6.316 11.196 1.00 0.00 C ATOM 825 NE2 HIS A 56 9.310 6.517 10.787 1.00 0.00 N ATOM 0 H HIS A 56 9.220 1.931 11.177 1.00 0.00 H new ATOM 0 HA HIS A 56 10.649 1.502 8.788 1.00 0.00 H new ATOM 0 HB2 HIS A 56 11.250 3.793 8.203 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.520 3.567 8.037 1.00 0.00 H new ATOM 0 HD1 HIS A 56 11.986 4.908 10.649 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.059 5.488 9.307 1.00 0.00 H new ATOM 0 HE1 HIS A 56 11.069 6.896 11.944 1.00 0.00 H new ATOM 834 N PRO A 57 12.762 1.900 10.100 1.00 0.00 N ATOM 835 CA PRO A 57 13.951 1.889 10.957 1.00 0.00 C ATOM 836 C PRO A 57 14.473 3.293 11.244 1.00 0.00 C ATOM 837 O PRO A 57 13.997 4.273 10.670 1.00 0.00 O ATOM 838 CB PRO A 57 14.973 1.097 10.137 1.00 0.00 C ATOM 839 CG PRO A 57 14.541 1.274 8.722 1.00 0.00 C ATOM 840 CD PRO A 57 13.041 1.369 8.755 1.00 0.00 C ATOM 0 HA PRO A 57 13.742 1.458 11.936 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.984 1.474 10.293 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.978 0.045 10.421 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.979 2.174 8.290 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.865 0.434 8.107 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.663 2.031 7.976 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.573 0.396 8.602 1.00 0.00 H new ATOM 848 N THR A 58 15.454 3.384 12.137 1.00 0.00 N ATOM 849 CA THR A 58 16.040 4.668 12.501 1.00 0.00 C ATOM 850 C THR A 58 16.916 5.210 11.378 1.00 0.00 C ATOM 851 O THR A 58 17.022 6.423 11.191 1.00 0.00 O ATOM 852 CB THR A 58 16.882 4.557 13.786 1.00 0.00 C ATOM 853 OG1 THR A 58 17.037 5.850 14.382 1.00 0.00 O ATOM 854 CG2 THR A 58 18.250 3.964 13.487 1.00 0.00 C ATOM 0 H THR A 58 15.859 2.583 12.622 1.00 0.00 H new ATOM 0 HA THR A 58 15.212 5.355 12.676 1.00 0.00 H new ATOM 0 HB THR A 58 16.362 3.897 14.480 1.00 0.00 H new ATOM 0 HG1 THR A 58 17.572 5.771 15.199 1.00 0.00 H new ATOM 0 HG21 THR A 58 18.826 3.895 14.410 1.00 0.00 H new ATOM 0 HG22 THR A 58 18.130 2.969 13.060 1.00 0.00 H new ATOM 0 HG23 THR A 58 18.776 4.602 12.777 1.00 0.00 H new ATOM 862 N ASP A 59 17.542 4.306 10.632 1.00 0.00 N ATOM 863 CA ASP A 59 18.408 4.694 9.525 1.00 0.00 C ATOM 864 C ASP A 59 17.624 5.459 8.464 1.00 0.00 C ATOM 865 O ASP A 59 18.159 6.349 7.802 1.00 0.00 O ATOM 866 CB ASP A 59 19.061 3.459 8.904 1.00 0.00 C ATOM 867 CG ASP A 59 18.084 2.635 8.089 1.00 0.00 C ATOM 868 OD1 ASP A 59 17.628 3.126 7.036 1.00 0.00 O ATOM 869 OD2 ASP A 59 17.774 1.499 8.506 1.00 0.00 O ATOM 0 H ASP A 59 17.466 3.299 10.774 1.00 0.00 H new ATOM 0 HA ASP A 59 19.187 5.348 9.917 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.889 3.771 8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.484 2.839 9.695 1.00 0.00 H new ATOM 874 N TYR A 60 16.353 5.106 8.306 1.00 0.00 N ATOM 875 CA TYR A 60 15.496 5.756 7.322 1.00 0.00 C ATOM 876 C TYR A 60 14.626 6.825 7.978 1.00 0.00 C ATOM 877 O TYR A 60 14.046 6.601 9.041 1.00 0.00 O ATOM 878 CB TYR A 60 14.612 4.723 6.622 1.00 0.00 C ATOM 879 CG TYR A 60 14.125 5.165 5.260 1.00 0.00 C ATOM 880 CD1 TYR A 60 14.899 4.959 4.125 1.00 0.00 C ATOM 881 CD2 TYR A 60 12.893 5.788 5.109 1.00 0.00 C ATOM 882 CE1 TYR A 60 14.460 5.362 2.878 1.00 0.00 C ATOM 883 CE2 TYR A 60 12.445 6.192 3.867 1.00 0.00 C ATOM 884 CZ TYR A 60 13.232 5.977 2.754 1.00 0.00 C ATOM 885 OH TYR A 60 12.789 6.380 1.515 1.00 0.00 O ATOM 0 H TYR A 60 15.894 4.373 8.847 1.00 0.00 H new ATOM 0 HA TYR A 60 16.136 6.237 6.583 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.170 3.793 6.515 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.751 4.507 7.254 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.860 4.476 4.219 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.275 5.959 5.978 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.075 5.196 2.006 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.484 6.674 3.767 1.00 0.00 H new ATOM 0 HH TYR A 60 11.905 6.795 1.602 1.00 0.00 H new ATOM 934 N ILE A 64 7.729 9.705 1.616 1.00 0.00 N ATOM 935 CA ILE A 64 6.839 9.094 0.638 1.00 0.00 C ATOM 936 C ILE A 64 5.711 10.044 0.251 1.00 0.00 C ATOM 937 O ILE A 64 5.435 11.017 0.954 1.00 0.00 O ATOM 938 CB ILE A 64 6.230 7.784 1.173 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.335 6.838 1.647 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.380 7.118 0.101 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.814 5.596 2.334 1.00 0.00 C ATOM 0 HA ILE A 64 7.442 8.873 -0.242 1.00 0.00 H new ATOM 0 HB ILE A 64 5.590 8.020 2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.941 6.542 0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.992 7.374 2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.957 6.194 0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.574 7.790 -0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.000 6.893 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.653 4.972 2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.232 5.882 3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.181 5.037 1.645 1.00 0.00 H new ATOM 953 N LYS A 65 5.060 9.756 -0.870 1.00 0.00 N ATOM 954 CA LYS A 65 3.959 10.582 -1.351 1.00 0.00 C ATOM 955 C LYS A 65 2.615 9.925 -1.052 1.00 0.00 C ATOM 956 O LYS A 65 1.653 10.091 -1.802 1.00 0.00 O ATOM 957 CB LYS A 65 4.096 10.826 -2.855 1.00 0.00 C ATOM 958 CG LYS A 65 5.032 11.970 -3.203 1.00 0.00 C ATOM 959 CD LYS A 65 4.656 12.616 -4.526 1.00 0.00 C ATOM 960 CE LYS A 65 5.383 13.937 -4.728 1.00 0.00 C ATOM 961 NZ LYS A 65 4.786 15.029 -3.911 1.00 0.00 N ATOM 0 H LYS A 65 5.276 8.955 -1.464 1.00 0.00 H new ATOM 0 HA LYS A 65 4.000 11.538 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.457 9.914 -3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.111 11.034 -3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.004 12.718 -2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.056 11.600 -3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.897 11.938 -5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.579 12.783 -4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.433 13.818 -4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.350 14.212 -5.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.230 15.935 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.764 15.081 -4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.946 14.835 -2.902 1.00 0.00 H new ATOM 975 N GLN A 66 2.556 9.182 0.048 1.00 0.00 N ATOM 976 CA GLN A 66 1.329 8.501 0.445 1.00 0.00 C ATOM 977 C GLN A 66 0.612 7.920 -0.769 1.00 0.00 C ATOM 978 O GLN A 66 -0.612 7.798 -0.780 1.00 0.00 O ATOM 979 CB GLN A 66 0.402 9.467 1.185 1.00 0.00 C ATOM 980 CG GLN A 66 1.021 10.063 2.439 1.00 0.00 C ATOM 981 CD GLN A 66 0.328 11.336 2.884 1.00 0.00 C ATOM 982 OE1 GLN A 66 -0.852 11.545 2.601 1.00 0.00 O ATOM 983 NE2 GLN A 66 1.060 12.196 3.583 1.00 0.00 N ATOM 0 H GLN A 66 3.343 9.036 0.680 1.00 0.00 H new ATOM 0 HA GLN A 66 1.597 7.682 1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.119 10.275 0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.514 8.943 1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.978 9.330 3.244 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.075 10.273 2.255 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.035 11.982 3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.648 13.070 3.908 1.00 0.00 H new ATOM 992 N GLY A 67 1.383 7.562 -1.791 1.00 0.00 N ATOM 993 CA GLY A 67 0.804 6.998 -2.996 1.00 0.00 C ATOM 994 C GLY A 67 -0.580 7.544 -3.284 1.00 0.00 C ATOM 995 O GLY A 67 -1.585 6.949 -2.892 1.00 0.00 O ATOM 0 H GLY A 67 2.399 7.653 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.458 7.208 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.750 5.914 -2.897 1.00 0.00 H new ATOM 999 N HIS A 68 -0.635 8.681 -3.971 1.00 0.00 N ATOM 1000 CA HIS A 68 -1.908 9.308 -4.311 1.00 0.00 C ATOM 1001 C HIS A 68 -2.709 8.429 -5.266 1.00 0.00 C ATOM 1002 O HIS A 68 -3.866 8.719 -5.571 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.671 10.682 -4.939 1.00 0.00 C ATOM 1004 CG HIS A 68 -1.481 11.776 -3.934 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -0.960 11.559 -2.676 1.00 0.00 N ATOM 1006 CD2 HIS A 68 -1.743 13.102 -4.008 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.912 12.704 -2.019 1.00 0.00 C ATOM 1008 NE2 HIS A 68 -1.381 13.656 -2.805 1.00 0.00 N ATOM 0 H HIS A 68 0.186 9.187 -4.303 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.482 9.431 -3.392 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.791 10.632 -5.580 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.518 10.931 -5.579 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.159 13.626 -4.855 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.551 12.839 -1.010 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.461 14.642 -2.558 1.00 0.00 H new ATOM 1017 N LYS A 69 -2.085 7.355 -5.737 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.739 6.432 -6.658 1.00 0.00 C ATOM 1019 C LYS A 69 -2.965 5.075 -6.000 1.00 0.00 C ATOM 1020 O LYS A 69 -2.660 4.888 -4.822 1.00 0.00 O ATOM 1021 CB LYS A 69 -1.899 6.263 -7.925 1.00 0.00 C ATOM 1022 CG LYS A 69 -1.637 7.566 -8.661 1.00 0.00 C ATOM 1023 CD LYS A 69 -2.924 8.171 -9.197 1.00 0.00 C ATOM 1024 CE LYS A 69 -2.670 9.508 -9.877 1.00 0.00 C ATOM 1025 NZ LYS A 69 -2.437 10.597 -8.889 1.00 0.00 N ATOM 0 H LYS A 69 -1.127 7.102 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.709 6.852 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.945 5.807 -7.660 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.407 5.572 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.153 8.274 -7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.947 7.387 -9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.383 7.482 -9.906 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.632 8.306 -8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.805 9.423 -10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.523 9.764 -10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.285 11.495 -9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.266 10.685 -8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.597 10.373 -8.318 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.500 4.131 -6.768 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.765 2.791 -6.258 1.00 0.00 C ATOM 1041 C GLN A 70 -2.466 2.016 -6.064 1.00 0.00 C ATOM 1042 O GLN A 70 -2.429 1.015 -5.347 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.688 2.033 -7.214 1.00 0.00 C ATOM 1044 CG GLN A 70 -5.082 0.653 -6.711 1.00 0.00 C ATOM 1045 CD GLN A 70 -5.763 -0.183 -7.777 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -6.246 0.342 -8.780 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -5.805 -1.493 -7.564 1.00 0.00 N ATOM 0 H GLN A 70 -3.758 4.269 -7.745 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.256 2.888 -5.290 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.590 2.622 -7.379 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.193 1.931 -8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.192 0.131 -6.358 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.750 0.759 -5.856 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.392 -1.886 -6.718 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.251 -2.107 -8.246 1.00 0.00 H new ATOM 1056 N THR A 71 -1.401 2.484 -6.707 1.00 0.00 N ATOM 1057 CA THR A 71 -0.101 1.834 -6.606 1.00 0.00 C ATOM 1058 C THR A 71 0.956 2.798 -6.080 1.00 0.00 C ATOM 1059 O THR A 71 0.986 3.970 -6.459 1.00 0.00 O ATOM 1060 CB THR A 71 0.358 1.281 -7.968 1.00 0.00 C ATOM 1061 OG1 THR A 71 -0.154 2.099 -9.027 1.00 0.00 O ATOM 1062 CG2 THR A 71 -0.113 -0.154 -8.156 1.00 0.00 C ATOM 0 H THR A 71 -1.414 3.311 -7.304 1.00 0.00 H new ATOM 0 HA THR A 71 -0.215 1.006 -5.906 1.00 0.00 H new ATOM 0 HB THR A 71 1.448 1.295 -7.993 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.144 1.742 -9.890 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.223 -0.523 -9.125 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.302 -0.780 -7.366 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.202 -0.188 -8.112 1.00 0.00 H new ATOM 1070 N LEU A 72 1.824 2.299 -5.207 1.00 0.00 N ATOM 1071 CA LEU A 72 2.884 3.117 -4.629 1.00 0.00 C ATOM 1072 C LEU A 72 4.258 2.577 -5.013 1.00 0.00 C ATOM 1073 O LEU A 72 4.558 1.404 -4.798 1.00 0.00 O ATOM 1074 CB LEU A 72 2.749 3.161 -3.106 1.00 0.00 C ATOM 1075 CG LEU A 72 3.865 3.886 -2.353 1.00 0.00 C ATOM 1076 CD1 LEU A 72 4.069 5.283 -2.919 1.00 0.00 C ATOM 1077 CD2 LEU A 72 3.551 3.952 -0.866 1.00 0.00 C ATOM 0 H LEU A 72 1.814 1.332 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 72 2.786 4.128 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.801 3.640 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.695 2.137 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 72 4.790 3.324 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.867 5.785 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.340 5.213 -3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.146 5.854 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.356 4.471 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.615 4.491 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.456 2.941 -0.469 1.00 0.00 H new ATOM 1089 N ASN A 73 5.091 3.444 -5.581 1.00 0.00 N ATOM 1090 CA ASN A 73 6.434 3.055 -5.995 1.00 0.00 C ATOM 1091 C ASN A 73 7.490 3.829 -5.211 1.00 0.00 C ATOM 1092 O ASN A 73 7.437 5.057 -5.123 1.00 0.00 O ATOM 1093 CB ASN A 73 6.619 3.294 -7.495 1.00 0.00 C ATOM 1094 CG ASN A 73 5.314 3.191 -8.261 1.00 0.00 C ATOM 1095 OD1 ASN A 73 4.941 4.103 -8.999 1.00 0.00 O ATOM 1096 ND2 ASN A 73 4.613 2.076 -8.088 1.00 0.00 N ATOM 0 H ASN A 73 4.859 4.420 -5.765 1.00 0.00 H new ATOM 0 HA ASN A 73 6.558 1.992 -5.786 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.053 4.282 -7.652 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.328 2.568 -7.891 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.727 1.950 -8.577 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.961 1.346 -7.466 1.00 0.00 H new ATOM 1103 N LEU A 74 8.448 3.105 -4.645 1.00 0.00 N ATOM 1104 CA LEU A 74 9.518 3.723 -3.869 1.00 0.00 C ATOM 1105 C LEU A 74 10.857 3.590 -4.586 1.00 0.00 C ATOM 1106 O LEU A 74 11.021 2.744 -5.464 1.00 0.00 O ATOM 1107 CB LEU A 74 9.603 3.085 -2.481 1.00 0.00 C ATOM 1108 CG LEU A 74 8.758 3.739 -1.388 1.00 0.00 C ATOM 1109 CD1 LEU A 74 7.311 3.281 -1.486 1.00 0.00 C ATOM 1110 CD2 LEU A 74 9.327 3.423 -0.013 1.00 0.00 C ATOM 0 H LEU A 74 8.506 2.089 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 74 9.289 4.783 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.306 2.040 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.645 3.096 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 74 8.786 4.819 -1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.725 3.757 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.906 3.559 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.263 2.198 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.713 3.897 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.330 2.344 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.347 3.802 0.055 1.00 0.00 H new ATOM 1122 N SER A 75 11.814 4.430 -4.203 1.00 0.00 N ATOM 1123 CA SER A 75 13.139 4.408 -4.810 1.00 0.00 C ATOM 1124 C SER A 75 14.208 4.802 -3.796 1.00 0.00 C ATOM 1125 O SER A 75 13.902 5.351 -2.738 1.00 0.00 O ATOM 1126 CB SER A 75 13.188 5.351 -6.013 1.00 0.00 C ATOM 1127 OG SER A 75 12.913 6.686 -5.626 1.00 0.00 O ATOM 0 H SER A 75 11.696 5.134 -3.475 1.00 0.00 H new ATOM 0 HA SER A 75 13.340 3.391 -5.147 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.172 5.300 -6.479 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.463 5.029 -6.761 1.00 0.00 H new ATOM 0 HG SER A 75 12.952 7.269 -6.413 1.00 0.00 H new ATOM 1133 N GLN A 76 15.463 4.517 -4.128 1.00 0.00 N ATOM 1134 CA GLN A 76 16.578 4.842 -3.246 1.00 0.00 C ATOM 1135 C GLN A 76 16.327 4.318 -1.835 1.00 0.00 C ATOM 1136 O GLN A 76 16.676 4.968 -0.849 1.00 0.00 O ATOM 1137 CB GLN A 76 16.803 6.354 -3.208 1.00 0.00 C ATOM 1138 CG GLN A 76 17.363 6.918 -4.504 1.00 0.00 C ATOM 1139 CD GLN A 76 17.391 8.434 -4.517 1.00 0.00 C ATOM 1140 OE1 GLN A 76 16.726 9.085 -3.711 1.00 0.00 O ATOM 1141 NE2 GLN A 76 18.164 9.004 -5.434 1.00 0.00 N ATOM 0 H GLN A 76 15.733 4.062 -5.000 1.00 0.00 H new ATOM 0 HA GLN A 76 17.472 4.359 -3.640 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.857 6.848 -2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.487 6.591 -2.393 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.374 6.538 -4.654 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.761 6.562 -5.340 1.00 0.00 H new ATOM 0 HE21 GLN A 76 18.698 8.425 -6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 76 18.224 10.021 -5.490 1.00 0.00 H new ATOM 1150 N LEU A 77 15.720 3.140 -1.747 1.00 0.00 N ATOM 1151 CA LEU A 77 15.421 2.528 -0.457 1.00 0.00 C ATOM 1152 C LEU A 77 16.663 1.868 0.134 1.00 0.00 C ATOM 1153 O LEU A 77 17.558 1.442 -0.596 1.00 0.00 O ATOM 1154 CB LEU A 77 14.303 1.495 -0.606 1.00 0.00 C ATOM 1155 CG LEU A 77 12.887 2.055 -0.747 1.00 0.00 C ATOM 1156 CD1 LEU A 77 11.913 0.953 -1.132 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.448 2.729 0.545 1.00 0.00 C ATOM 0 H LEU A 77 15.425 2.589 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 77 15.092 3.315 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.518 0.880 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.327 0.835 0.262 1.00 0.00 H new ATOM 0 HG LEU A 77 12.891 2.803 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.911 1.370 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.216 0.515 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.913 0.182 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.438 3.121 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.461 2.002 1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.130 3.547 0.779 1.00 0.00 H new ATOM 1169 N SER A 78 16.709 1.784 1.459 1.00 0.00 N ATOM 1170 CA SER A 78 17.842 1.177 2.148 1.00 0.00 C ATOM 1171 C SER A 78 17.435 -0.138 2.808 1.00 0.00 C ATOM 1172 O SER A 78 16.301 -0.594 2.662 1.00 0.00 O ATOM 1173 CB SER A 78 18.401 2.137 3.200 1.00 0.00 C ATOM 1174 OG SER A 78 19.013 3.260 2.591 1.00 0.00 O ATOM 0 H SER A 78 15.975 2.129 2.078 1.00 0.00 H new ATOM 0 HA SER A 78 18.616 0.969 1.409 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.598 2.469 3.858 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.128 1.616 3.823 1.00 0.00 H new ATOM 0 HG SER A 78 19.361 3.859 3.284 1.00 0.00 H new ATOM 1180 N VAL A 79 18.370 -0.742 3.534 1.00 0.00 N ATOM 1181 CA VAL A 79 18.111 -2.004 4.217 1.00 0.00 C ATOM 1182 C VAL A 79 17.371 -1.775 5.531 1.00 0.00 C ATOM 1183 O VAL A 79 17.811 -0.996 6.375 1.00 0.00 O ATOM 1184 CB VAL A 79 19.418 -2.767 4.503 1.00 0.00 C ATOM 1185 CG1 VAL A 79 19.131 -4.050 5.267 1.00 0.00 C ATOM 1186 CG2 VAL A 79 20.155 -3.063 3.206 1.00 0.00 C ATOM 0 H VAL A 79 19.314 -0.378 3.664 1.00 0.00 H new ATOM 0 HA VAL A 79 17.489 -2.602 3.551 1.00 0.00 H new ATOM 0 HB VAL A 79 20.057 -2.139 5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.066 -4.576 5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.648 -3.809 6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.473 -4.686 4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 79 21.076 -3.602 3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.523 -3.672 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 79 20.394 -2.127 2.702 1.00 0.00 H new ATOM 1196 N GLY A 80 16.245 -2.461 5.697 1.00 0.00 N ATOM 1197 CA GLY A 80 15.462 -2.319 6.911 1.00 0.00 C ATOM 1198 C GLY A 80 14.032 -2.791 6.737 1.00 0.00 C ATOM 1199 O GLY A 80 13.629 -3.185 5.642 1.00 0.00 O ATOM 0 H GLY A 80 15.861 -3.113 5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.934 -2.887 7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.461 -1.273 7.219 1.00 0.00 H new ATOM 1203 N LEU A 81 13.262 -2.753 7.819 1.00 0.00 N ATOM 1204 CA LEU A 81 11.868 -3.182 7.782 1.00 0.00 C ATOM 1205 C LEU A 81 10.934 -1.984 7.650 1.00 0.00 C ATOM 1206 O LEU A 81 10.953 -1.074 8.478 1.00 0.00 O ATOM 1207 CB LEU A 81 11.525 -3.975 9.045 1.00 0.00 C ATOM 1208 CG LEU A 81 10.075 -4.446 9.167 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.710 -5.357 8.006 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.856 -5.158 10.495 1.00 0.00 C ATOM 0 H LEU A 81 13.579 -2.430 8.733 1.00 0.00 H new ATOM 0 HA LEU A 81 11.733 -3.822 6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.175 -4.849 9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.760 -3.358 9.912 1.00 0.00 H new ATOM 0 HG LEU A 81 9.425 -3.572 9.134 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.675 -5.682 8.110 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.828 -4.815 7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.366 -6.228 8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.819 -5.486 10.565 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.516 -6.023 10.557 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.076 -4.474 11.315 1.00 0.00 H new ATOM 1222 N TYR A 82 10.115 -1.993 6.604 1.00 0.00 N ATOM 1223 CA TYR A 82 9.172 -0.907 6.363 1.00 0.00 C ATOM 1224 C TYR A 82 7.762 -1.448 6.145 1.00 0.00 C ATOM 1225 O TYR A 82 7.570 -2.462 5.474 1.00 0.00 O ATOM 1226 CB TYR A 82 9.608 -0.086 5.148 1.00 0.00 C ATOM 1227 CG TYR A 82 11.086 0.233 5.132 1.00 0.00 C ATOM 1228 CD1 TYR A 82 12.010 -0.688 4.655 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.558 1.455 5.594 1.00 0.00 C ATOM 1230 CE1 TYR A 82 13.361 -0.402 4.639 1.00 0.00 C ATOM 1231 CE2 TYR A 82 12.907 1.751 5.580 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.805 0.819 5.102 1.00 0.00 C ATOM 1233 OH TYR A 82 15.150 1.110 5.088 1.00 0.00 O ATOM 0 H TYR A 82 10.085 -2.740 5.910 1.00 0.00 H new ATOM 0 HA TYR A 82 9.163 -0.265 7.244 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.353 -0.633 4.240 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.043 0.846 5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.666 -1.645 4.290 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.858 2.186 5.971 1.00 0.00 H new ATOM 0 HE1 TYR A 82 14.066 -1.130 4.266 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.257 2.707 5.941 1.00 0.00 H new ATOM 0 HH TYR A 82 15.278 2.073 5.215 1.00 0.00 H new ATOM 1243 N VAL A 83 6.777 -0.762 6.718 1.00 0.00 N ATOM 1244 CA VAL A 83 5.384 -1.171 6.586 1.00 0.00 C ATOM 1245 C VAL A 83 4.534 -0.047 6.005 1.00 0.00 C ATOM 1246 O VAL A 83 4.439 1.036 6.583 1.00 0.00 O ATOM 1247 CB VAL A 83 4.794 -1.598 7.943 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.344 -2.029 7.783 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.625 -2.713 8.559 1.00 0.00 C ATOM 0 H VAL A 83 6.919 0.079 7.278 1.00 0.00 H new ATOM 0 HA VAL A 83 5.367 -2.023 5.907 1.00 0.00 H new ATOM 0 HB VAL A 83 4.822 -0.741 8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.944 -2.327 8.752 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.759 -1.198 7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.289 -2.871 7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.193 -3.002 9.517 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.632 -3.574 7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.646 -2.364 8.712 1.00 0.00 H new ATOM 1259 N PHE A 84 3.916 -0.312 4.859 1.00 0.00 N ATOM 1260 CA PHE A 84 3.073 0.678 4.199 1.00 0.00 C ATOM 1261 C PHE A 84 1.595 0.344 4.383 1.00 0.00 C ATOM 1262 O PHE A 84 1.116 -0.686 3.909 1.00 0.00 O ATOM 1263 CB PHE A 84 3.409 0.752 2.708 1.00 0.00 C ATOM 1264 CG PHE A 84 4.882 0.833 2.428 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.558 2.037 2.550 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.592 -0.294 2.046 1.00 0.00 C ATOM 1267 CE1 PHE A 84 6.914 2.114 2.292 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.948 -0.222 1.787 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.610 0.983 1.912 1.00 0.00 C ATOM 0 H PHE A 84 3.983 -1.204 4.368 1.00 0.00 H new ATOM 0 HA PHE A 84 3.268 1.648 4.657 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.000 -0.126 2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.917 1.623 2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.020 2.924 2.850 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.080 -1.240 1.949 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.429 3.058 2.388 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.489 -1.107 1.487 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.670 1.041 1.713 1.00 0.00 H new ATOM 1279 N LYS A 85 0.878 1.223 5.075 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.545 1.024 5.323 1.00 0.00 C ATOM 1281 C LYS A 85 -1.385 1.896 4.396 1.00 0.00 C ATOM 1282 O LYS A 85 -1.344 3.124 4.476 1.00 0.00 O ATOM 1283 CB LYS A 85 -0.879 1.341 6.782 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.370 1.430 7.059 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.656 2.234 8.316 1.00 0.00 C ATOM 1286 CE LYS A 85 -2.564 3.729 8.054 1.00 0.00 C ATOM 1287 NZ LYS A 85 -2.266 4.493 9.297 1.00 0.00 N ATOM 0 H LYS A 85 1.259 2.081 5.474 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.781 -0.021 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.445 0.572 7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.410 2.286 7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.872 1.891 6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.782 0.426 7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.651 1.989 8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.947 1.956 9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.786 3.921 7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.503 4.081 7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.661 5.452 9.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.693 4.009 10.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.236 4.552 9.430 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.150 1.254 3.518 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.002 1.972 2.578 1.00 0.00 C ATOM 1303 C VAL A 86 -4.430 2.080 3.103 1.00 0.00 C ATOM 1304 O VAL A 86 -5.148 1.084 3.192 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.024 1.282 1.201 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.049 -0.230 1.361 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.216 1.760 0.385 1.00 0.00 C ATOM 0 H VAL A 86 -2.197 0.238 3.439 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.581 2.972 2.469 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.114 1.551 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.064 -0.700 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.161 -0.553 1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.940 -0.522 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.216 1.262 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.138 1.522 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.149 2.838 0.240 1.00 0.00 H new ATOM 1317 N THR A 87 -4.836 3.297 3.450 1.00 0.00 N ATOM 1318 CA THR A 87 -6.177 3.537 3.967 1.00 0.00 C ATOM 1319 C THR A 87 -7.114 4.019 2.865 1.00 0.00 C ATOM 1320 O THR A 87 -6.983 5.139 2.371 1.00 0.00 O ATOM 1321 CB THR A 87 -6.164 4.575 5.105 1.00 0.00 C ATOM 1322 OG1 THR A 87 -5.060 4.327 5.982 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.464 4.531 5.893 1.00 0.00 C ATOM 0 H THR A 87 -4.255 4.132 3.382 1.00 0.00 H new ATOM 0 HA THR A 87 -6.539 2.586 4.357 1.00 0.00 H new ATOM 0 HB THR A 87 -6.060 5.565 4.662 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.288 3.600 6.598 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.431 5.273 6.691 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.300 4.750 5.228 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.594 3.539 6.325 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.059 3.166 2.483 1.00 0.00 N ATOM 1332 CA VAL A 88 -9.019 3.507 1.440 1.00 0.00 C ATOM 1333 C VAL A 88 -10.448 3.446 1.967 1.00 0.00 C ATOM 1334 O VAL A 88 -10.902 2.405 2.443 1.00 0.00 O ATOM 1335 CB VAL A 88 -8.890 2.564 0.229 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -10.010 2.819 -0.769 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.529 2.728 -0.431 1.00 0.00 C ATOM 0 H VAL A 88 -8.180 2.234 2.880 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.794 4.526 1.124 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.977 1.536 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.902 2.143 -1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.973 2.646 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.959 3.850 -1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.455 2.054 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.411 3.757 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.745 2.490 0.288 1.00 0.00 H new ATOM 1347 N SER A 89 -11.154 4.569 1.879 1.00 0.00 N ATOM 1348 CA SER A 89 -12.532 4.645 2.350 1.00 0.00 C ATOM 1349 C SER A 89 -13.380 5.501 1.414 1.00 0.00 C ATOM 1350 O SER A 89 -12.852 6.253 0.595 1.00 0.00 O ATOM 1351 CB SER A 89 -12.577 5.221 3.767 1.00 0.00 C ATOM 1352 OG SER A 89 -12.275 6.605 3.765 1.00 0.00 O ATOM 0 H SER A 89 -10.794 5.439 1.486 1.00 0.00 H new ATOM 0 HA SER A 89 -12.942 3.635 2.362 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.566 5.062 4.196 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.866 4.691 4.401 1.00 0.00 H new ATOM 0 HG SER A 89 -12.312 6.949 4.682 1.00 0.00 H new ATOM 1358 N SER A 90 -14.697 5.380 1.543 1.00 0.00 N ATOM 1359 CA SER A 90 -15.620 6.139 0.706 1.00 0.00 C ATOM 1360 C SER A 90 -16.672 6.843 1.558 1.00 0.00 C ATOM 1361 O SER A 90 -16.645 6.764 2.786 1.00 0.00 O ATOM 1362 CB SER A 90 -16.301 5.216 -0.306 1.00 0.00 C ATOM 1363 OG SER A 90 -16.817 5.953 -1.401 1.00 0.00 O ATOM 0 H SER A 90 -15.149 4.764 2.219 1.00 0.00 H new ATOM 0 HA SER A 90 -15.047 6.895 0.169 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.587 4.476 -0.666 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.108 4.669 0.181 1.00 0.00 H new ATOM 0 HG SER A 90 -17.246 5.341 -2.035 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.596 7.531 0.896 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.657 8.250 1.592 1.00 0.00 C ATOM 1371 C GLU A 91 -19.458 7.307 2.486 1.00 0.00 C ATOM 1372 O GLU A 91 -19.876 7.679 3.581 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.588 8.931 0.587 1.00 0.00 C ATOM 1374 CG GLU A 91 -20.161 7.981 -0.452 1.00 0.00 C ATOM 1375 CD GLU A 91 -20.933 8.702 -1.539 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -21.924 9.386 -1.210 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -20.545 8.582 -2.720 1.00 0.00 O ATOM 0 H GLU A 91 -17.632 7.606 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.193 9.011 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.409 9.403 1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.042 9.725 0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.349 7.412 -0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.818 7.264 0.040 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.666 6.084 2.009 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.418 5.087 2.763 1.00 0.00 C ATOM 1386 C ASN A 92 -19.637 3.780 2.864 1.00 0.00 C ATOM 1387 O ASN A 92 -20.220 2.696 2.862 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.775 4.834 2.103 1.00 0.00 C ATOM 1389 CG ASN A 92 -22.529 6.120 1.820 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -22.111 7.201 2.234 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -23.646 6.006 1.111 1.00 0.00 N ATOM 0 H ASN A 92 -19.325 5.759 1.104 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.578 5.473 3.770 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -21.627 4.290 1.170 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.378 4.197 2.751 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -24.196 6.836 0.889 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -23.954 5.089 0.789 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.316 3.892 2.954 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.456 2.720 3.059 1.00 0.00 C ATOM 1400 C ALA A 93 -16.118 3.076 3.697 1.00 0.00 C ATOM 1401 O ALA A 93 -15.781 4.252 3.841 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.240 2.098 1.687 1.00 0.00 C ATOM 0 H ALA A 93 -17.818 4.782 2.956 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.953 1.993 3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.596 1.224 1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.201 1.798 1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.769 2.827 1.027 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.358 2.055 4.077 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.056 2.261 4.702 1.00 0.00 C ATOM 1410 C PHE A 94 -13.201 1.001 4.605 1.00 0.00 C ATOM 1411 O PHE A 94 -13.702 -0.115 4.745 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.228 2.663 6.168 1.00 0.00 C ATOM 1413 CG PHE A 94 -12.927 2.902 6.880 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -12.349 4.161 6.891 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -12.283 1.867 7.538 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -11.153 4.385 7.546 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -11.086 2.085 8.195 1.00 0.00 C ATOM 1418 CZ PHE A 94 -10.520 3.344 8.198 1.00 0.00 C ATOM 0 H PHE A 94 -15.621 1.076 3.963 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.548 3.065 4.169 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.833 3.568 6.220 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -14.780 1.880 6.689 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.839 4.977 6.381 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.720 0.880 7.538 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.714 5.372 7.548 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.594 1.270 8.706 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.584 3.515 8.709 1.00 0.00 H new ATOM 1428 N GLY A 95 -11.907 1.188 4.364 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.003 0.058 4.252 1.00 0.00 C ATOM 1430 C GLY A 95 -9.561 0.441 4.521 1.00 0.00 C ATOM 1431 O GLY A 95 -9.162 1.582 4.291 1.00 0.00 O ATOM 0 H GLY A 95 -11.469 2.101 4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.307 -0.718 4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.082 -0.369 3.252 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.778 -0.515 5.012 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.373 -0.270 5.315 1.00 0.00 C ATOM 1437 C GLU A 96 -6.523 -1.493 4.983 1.00 0.00 C ATOM 1438 O GLU A 96 -6.968 -2.630 5.134 1.00 0.00 O ATOM 1439 CB GLU A 96 -7.203 0.098 6.790 1.00 0.00 C ATOM 1440 CG GLU A 96 -8.218 1.114 7.285 1.00 0.00 C ATOM 1441 CD GLU A 96 -7.828 1.729 8.615 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -8.166 1.140 9.663 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -7.184 2.799 8.608 1.00 0.00 O ATOM 0 H GLU A 96 -9.093 -1.465 5.208 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.035 0.563 4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.283 -0.807 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.200 0.495 6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.327 1.904 6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.191 0.632 7.383 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.297 -1.250 4.530 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.405 -2.341 4.183 1.00 0.00 C ATOM 1452 C GLY A 97 -3.059 -2.230 4.872 1.00 0.00 C ATOM 1453 O GLY A 97 -2.688 -1.161 5.358 1.00 0.00 O ATOM 0 H GLY A 97 -4.906 -0.317 4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.872 -3.288 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.257 -2.356 3.103 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.325 -3.337 4.915 1.00 0.00 N ATOM 1458 CA PHE A 98 -1.013 -3.360 5.552 1.00 0.00 C ATOM 1459 C PHE A 98 -0.073 -4.317 4.825 1.00 0.00 C ATOM 1460 O PHE A 98 -0.366 -5.505 4.683 1.00 0.00 O ATOM 1461 CB PHE A 98 -1.143 -3.772 7.020 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.579 -2.651 7.920 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -2.903 -2.245 7.951 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -0.665 -2.004 8.736 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -3.307 -1.213 8.777 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -1.063 -0.972 9.565 1.00 0.00 C ATOM 1467 CZ PHE A 98 -2.386 -0.577 9.587 1.00 0.00 C ATOM 0 H PHE A 98 -2.616 -4.230 4.517 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.593 -2.356 5.499 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.860 -4.590 7.098 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.184 -4.155 7.368 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.628 -2.741 7.322 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.371 -2.310 8.724 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.342 -0.904 8.789 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.340 -0.475 10.195 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.700 0.227 10.236 1.00 0.00 H new ATOM 1477 N VAL A 99 1.058 -3.792 4.367 1.00 0.00 N ATOM 1478 CA VAL A 99 2.043 -4.598 3.655 1.00 0.00 C ATOM 1479 C VAL A 99 3.445 -4.365 4.205 1.00 0.00 C ATOM 1480 O VAL A 99 3.874 -3.224 4.375 1.00 0.00 O ATOM 1481 CB VAL A 99 2.037 -4.288 2.146 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.681 -2.937 1.876 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.746 -5.390 1.374 1.00 0.00 C ATOM 0 H VAL A 99 1.316 -2.811 4.476 1.00 0.00 H new ATOM 0 HA VAL A 99 1.766 -5.641 3.805 1.00 0.00 H new ATOM 0 HB VAL A 99 1.003 -4.245 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.668 -2.735 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.126 -2.158 2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.712 -2.948 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.733 -5.155 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.778 -5.467 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.236 -6.338 1.543 1.00 0.00 H new ATOM 1493 N ASN A 100 4.156 -5.454 4.481 1.00 0.00 N ATOM 1494 CA ASN A 100 5.511 -5.368 5.012 1.00 0.00 C ATOM 1495 C ASN A 100 6.542 -5.608 3.913 1.00 0.00 C ATOM 1496 O ASN A 100 6.394 -6.517 3.097 1.00 0.00 O ATOM 1497 CB ASN A 100 5.704 -6.384 6.140 1.00 0.00 C ATOM 1498 CG ASN A 100 4.665 -6.237 7.235 1.00 0.00 C ATOM 1499 OD1 ASN A 100 3.561 -5.746 6.996 1.00 0.00 O ATOM 1500 ND2 ASN A 100 5.015 -6.662 8.443 1.00 0.00 N ATOM 0 H ASN A 100 3.816 -6.406 4.346 1.00 0.00 H new ATOM 0 HA ASN A 100 5.657 -4.363 5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.655 -7.392 5.729 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.699 -6.263 6.568 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.358 -6.588 9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.941 -7.062 8.594 1.00 0.00 H new ATOM 1507 N VAL A 101 7.588 -4.788 3.901 1.00 0.00 N ATOM 1508 CA VAL A 101 8.645 -4.912 2.904 1.00 0.00 C ATOM 1509 C VAL A 101 10.022 -4.879 3.557 1.00 0.00 C ATOM 1510 O VAL A 101 10.358 -3.940 4.280 1.00 0.00 O ATOM 1511 CB VAL A 101 8.560 -3.789 1.853 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.765 -3.833 0.926 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.265 -3.896 1.063 1.00 0.00 C ATOM 0 H VAL A 101 7.726 -4.031 4.570 1.00 0.00 H new ATOM 0 HA VAL A 101 8.503 -5.873 2.410 1.00 0.00 H new ATOM 0 HB VAL A 101 8.565 -2.830 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.688 -3.032 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.677 -3.703 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.795 -4.795 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.222 -3.095 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.227 -4.860 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.417 -3.810 1.742 1.00 0.00 H new ATOM 1523 N THR A 102 10.819 -5.912 3.298 1.00 0.00 N ATOM 1524 CA THR A 102 12.160 -6.002 3.860 1.00 0.00 C ATOM 1525 C THR A 102 13.222 -5.836 2.780 1.00 0.00 C ATOM 1526 O THR A 102 13.254 -6.587 1.805 1.00 0.00 O ATOM 1527 CB THR A 102 12.379 -7.348 4.576 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.432 -7.498 5.640 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.792 -7.442 5.132 1.00 0.00 C ATOM 0 H THR A 102 10.558 -6.698 2.702 1.00 0.00 H new ATOM 0 HA THR A 102 12.254 -5.193 4.584 1.00 0.00 H new ATOM 0 HB THR A 102 12.237 -8.147 3.849 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.577 -8.357 6.089 1.00 0.00 H new ATOM 0 HG21 THR A 102 13.923 -8.401 5.633 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.510 -7.358 4.316 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.957 -6.635 5.845 1.00 0.00 H new ATOM 1537 N VAL A 103 14.092 -4.846 2.958 1.00 0.00 N ATOM 1538 CA VAL A 103 15.157 -4.582 1.999 1.00 0.00 C ATOM 1539 C VAL A 103 16.444 -5.296 2.396 1.00 0.00 C ATOM 1540 O VAL A 103 17.102 -4.920 3.366 1.00 0.00 O ATOM 1541 CB VAL A 103 15.438 -3.073 1.874 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.692 -2.830 1.048 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.242 -2.357 1.264 1.00 0.00 C ATOM 0 H VAL A 103 14.079 -4.214 3.758 1.00 0.00 H new ATOM 0 HA VAL A 103 14.817 -4.962 1.036 1.00 0.00 H new ATOM 0 HB VAL A 103 15.605 -2.669 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.875 -1.758 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.544 -3.309 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.557 -3.248 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.458 -1.292 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.042 -2.763 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.368 -2.503 1.899 1.00 0.00 H new ATOM 1553 N LYS A 104 16.798 -6.330 1.639 1.00 0.00 N ATOM 1554 CA LYS A 104 18.008 -7.098 1.910 1.00 0.00 C ATOM 1555 C LYS A 104 19.217 -6.466 1.227 1.00 0.00 C ATOM 1556 O LYS A 104 19.100 -5.792 0.204 1.00 0.00 O ATOM 1557 CB LYS A 104 17.836 -8.542 1.434 1.00 0.00 C ATOM 1558 CG LYS A 104 16.434 -9.088 1.638 1.00 0.00 C ATOM 1559 CD LYS A 104 16.132 -9.313 3.111 1.00 0.00 C ATOM 1560 CE LYS A 104 16.515 -10.717 3.550 1.00 0.00 C ATOM 1561 NZ LYS A 104 17.977 -10.963 3.408 1.00 0.00 N ATOM 0 H LYS A 104 16.264 -6.655 0.833 1.00 0.00 H new ATOM 0 HA LYS A 104 18.178 -7.095 2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.088 -8.599 0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.545 -9.177 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 104 15.707 -8.392 1.219 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.326 -10.027 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 104 16.675 -8.582 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.070 -9.150 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.221 -10.866 4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.965 -11.446 2.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 18.239 -11.816 3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.210 -11.098 2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.504 -10.147 3.779 1.00 0.00 H new ATOM 1575 N PRO A 105 20.407 -6.690 1.804 1.00 0.00 N ATOM 1576 CA PRO A 105 21.661 -6.153 1.267 1.00 0.00 C ATOM 1577 C PRO A 105 22.061 -6.820 -0.045 1.00 0.00 C ATOM 1578 O PRO A 105 21.595 -7.912 -0.365 1.00 0.00 O ATOM 1579 CB PRO A 105 22.681 -6.472 2.362 1.00 0.00 C ATOM 1580 CG PRO A 105 22.114 -7.649 3.077 1.00 0.00 C ATOM 1581 CD PRO A 105 20.620 -7.485 3.025 1.00 0.00 C ATOM 0 HA PRO A 105 21.584 -5.091 1.034 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.659 -6.700 1.938 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.815 -5.626 3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.421 -8.580 2.601 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.467 -7.687 4.108 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.112 -8.448 2.972 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.241 -6.973 3.909 1.00 0.00 H new ATOM 1589 N ALA A 106 22.929 -6.154 -0.801 1.00 0.00 N ATOM 1590 CA ALA A 106 23.394 -6.683 -2.077 1.00 0.00 C ATOM 1591 C ALA A 106 24.183 -7.973 -1.881 1.00 0.00 C ATOM 1592 O ALA A 106 25.322 -7.950 -1.414 1.00 0.00 O ATOM 1593 CB ALA A 106 24.242 -5.648 -2.800 1.00 0.00 C ATOM 0 H ALA A 106 23.324 -5.247 -0.551 1.00 0.00 H new ATOM 0 HA ALA A 106 22.521 -6.911 -2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 106 24.582 -6.057 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 106 23.647 -4.753 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.105 -5.391 -2.186 1.00 0.00 H new