USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=23 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 Set 1.1: A 49 TYR OH : rot 180:sc= 0.449 USER MOD Set 1.2: A 70 GLN :FLIP amide:sc= 0.664 F(o=0.087!,f=1.1) USER MOD Set 2.1: A 52 ASN : amide:sc= -4.67! C(o=-4.8!,f=-6.9!) USER MOD Set 2.2: A 66 GLN : amide:sc= -0.128 K(o=-4.8,f=-6.5!) USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0123) 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= -0.656 X(o=-0.66,f=-0.28) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.54 K(o=-1.5,f=-4.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 :FLIP amide:sc=-0.00686 F(o=-2.7!,f=-0.0069) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= 0.376 K(o=0.38,f=-3.8!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.0206 X(o=-0.021,f=-0.021) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0051 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.227 F(o=-3.4!,f=-0.23) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0.105 USER MOD Single : A 82 TYR OH : rot -52:sc= 0.0404 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 89 SER OG : rot 68:sc= 0.387 USER MOD Single : A 90 SER OG : rot 180:sc= -3.45! USER MOD Single : A 92 ASN : amide:sc= -0.985 X(o=-0.98,f=-0.84) USER MOD Single : A 100 ASN : amide:sc= 0.7 K(o=0.7,f=-3.4!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -20.785 2.443 7.977 1.00 0.00 N ATOM 119 CA VAL A 11 -20.231 2.395 6.628 1.00 0.00 C ATOM 120 C VAL A 11 -19.985 0.957 6.186 1.00 0.00 C ATOM 121 O VAL A 11 -20.021 0.031 6.997 1.00 0.00 O ATOM 122 CB VAL A 11 -18.911 3.182 6.536 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.100 4.604 7.043 1.00 0.00 C ATOM 124 CG2 VAL A 11 -17.812 2.472 7.311 1.00 0.00 C ATOM 0 HA VAL A 11 -20.966 2.854 5.967 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.611 3.232 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.156 5.145 6.970 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.855 5.108 6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.425 4.579 8.083 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.886 3.042 7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.101 2.388 8.359 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.659 1.476 6.896 1.00 0.00 H new ATOM 134 N LYS A 12 -19.734 0.776 4.894 1.00 0.00 N ATOM 135 CA LYS A 12 -19.479 -0.549 4.342 1.00 0.00 C ATOM 136 C LYS A 12 -18.178 -1.127 4.891 1.00 0.00 C ATOM 137 O LYS A 12 -17.433 -0.443 5.592 1.00 0.00 O ATOM 138 CB LYS A 12 -19.415 -0.484 2.814 1.00 0.00 C ATOM 139 CG LYS A 12 -20.768 -0.648 2.142 1.00 0.00 C ATOM 140 CD LYS A 12 -20.632 -1.265 0.760 1.00 0.00 C ATOM 141 CE LYS A 12 -21.814 -0.908 -0.128 1.00 0.00 C ATOM 142 NZ LYS A 12 -23.094 -1.451 0.406 1.00 0.00 N ATOM 0 H LYS A 12 -19.702 1.531 4.209 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.300 -1.202 4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -18.984 0.472 2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.743 -1.262 2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.409 -1.276 2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.256 0.323 2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -19.709 -0.919 0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.557 -2.349 0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.888 0.176 -0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -21.645 -1.298 -1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -23.864 -1.244 -0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -23.010 -2.480 0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -23.303 -1.008 1.323 1.00 0.00 H new ATOM 156 N GLU A 13 -17.912 -2.388 4.567 1.00 0.00 N ATOM 157 CA GLU A 13 -16.701 -3.056 5.028 1.00 0.00 C ATOM 158 C GLU A 13 -15.881 -3.572 3.848 1.00 0.00 C ATOM 159 O GLU A 13 -16.006 -4.731 3.450 1.00 0.00 O ATOM 160 CB GLU A 13 -17.055 -4.214 5.963 1.00 0.00 C ATOM 161 CG GLU A 13 -18.121 -5.142 5.406 1.00 0.00 C ATOM 162 CD GLU A 13 -18.632 -6.129 6.437 1.00 0.00 C ATOM 163 OE1 GLU A 13 -17.852 -6.506 7.336 1.00 0.00 O ATOM 164 OE2 GLU A 13 -19.813 -6.525 6.345 1.00 0.00 O ATOM 0 H GLU A 13 -18.519 -2.968 3.987 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.101 -2.328 5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.154 -4.792 6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.399 -3.809 6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.955 -4.548 5.032 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.713 -5.689 4.556 1.00 0.00 H new ATOM 171 N LEU A 14 -15.043 -2.703 3.294 1.00 0.00 N ATOM 172 CA LEU A 14 -14.202 -3.069 2.159 1.00 0.00 C ATOM 173 C LEU A 14 -12.952 -3.810 2.624 1.00 0.00 C ATOM 174 O LEU A 14 -12.325 -3.432 3.614 1.00 0.00 O ATOM 175 CB LEU A 14 -13.805 -1.821 1.369 1.00 0.00 C ATOM 176 CG LEU A 14 -14.929 -0.826 1.078 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.356 0.512 0.635 1.00 0.00 C ATOM 178 CD2 LEU A 14 -15.872 -1.381 0.020 1.00 0.00 C ATOM 0 H LEU A 14 -14.927 -1.741 3.612 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.776 -3.733 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.020 -1.302 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.373 -2.138 0.420 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.496 -0.669 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.170 1.207 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.722 0.916 1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.764 0.373 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.666 -0.660 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.318 -1.567 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.309 -2.314 0.376 1.00 0.00 H new ATOM 190 N THR A 15 -12.593 -4.866 1.901 1.00 0.00 N ATOM 191 CA THR A 15 -11.418 -5.659 2.238 1.00 0.00 C ATOM 192 C THR A 15 -10.203 -5.211 1.434 1.00 0.00 C ATOM 193 O THR A 15 -9.993 -5.658 0.307 1.00 0.00 O ATOM 194 CB THR A 15 -11.661 -7.159 1.987 1.00 0.00 C ATOM 195 OG1 THR A 15 -12.774 -7.613 2.766 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.425 -7.974 2.337 1.00 0.00 C ATOM 0 H THR A 15 -13.100 -5.192 1.078 1.00 0.00 H new ATOM 0 HA THR A 15 -11.226 -5.503 3.299 1.00 0.00 H new ATOM 0 HB THR A 15 -11.879 -7.296 0.928 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.923 -8.567 2.599 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.621 -9.030 2.151 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.587 -7.647 1.721 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.180 -7.830 3.389 1.00 0.00 H new ATOM 204 N VAL A 16 -9.405 -4.324 2.021 1.00 0.00 N ATOM 205 CA VAL A 16 -8.209 -3.817 1.359 1.00 0.00 C ATOM 206 C VAL A 16 -7.011 -4.723 1.618 1.00 0.00 C ATOM 207 O VAL A 16 -6.758 -5.126 2.753 1.00 0.00 O ATOM 208 CB VAL A 16 -7.870 -2.390 1.829 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.574 -1.911 1.194 1.00 0.00 C ATOM 210 CG2 VAL A 16 -9.013 -1.438 1.509 1.00 0.00 C ATOM 0 H VAL A 16 -9.565 -3.942 2.953 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.423 -3.799 0.290 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.732 -2.406 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.352 -0.901 1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.761 -2.579 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.679 -1.909 0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.756 -0.434 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.185 -1.425 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.918 -1.772 2.017 1.00 0.00 H new ATOM 220 N SER A 17 -6.275 -5.040 0.557 1.00 0.00 N ATOM 221 CA SER A 17 -5.104 -5.902 0.669 1.00 0.00 C ATOM 222 C SER A 17 -4.073 -5.558 -0.402 1.00 0.00 C ATOM 223 O SER A 17 -4.386 -5.517 -1.591 1.00 0.00 O ATOM 224 CB SER A 17 -5.513 -7.371 0.546 1.00 0.00 C ATOM 225 OG SER A 17 -4.419 -8.229 0.821 1.00 0.00 O ATOM 0 H SER A 17 -6.469 -4.713 -0.389 1.00 0.00 H new ATOM 0 HA SER A 17 -4.654 -5.738 1.648 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.329 -7.584 1.237 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.888 -7.565 -0.459 1.00 0.00 H new ATOM 0 HG SER A 17 -4.706 -9.162 0.738 1.00 0.00 H new ATOM 231 N ALA A 18 -2.840 -5.313 0.031 1.00 0.00 N ATOM 232 CA ALA A 18 -1.761 -4.975 -0.889 1.00 0.00 C ATOM 233 C ALA A 18 -1.283 -6.206 -1.651 1.00 0.00 C ATOM 234 O ALA A 18 -1.031 -6.145 -2.853 1.00 0.00 O ATOM 235 CB ALA A 18 -0.605 -4.336 -0.134 1.00 0.00 C ATOM 0 H ALA A 18 -2.564 -5.342 1.013 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.146 -4.259 -1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.194 -4.089 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.950 -3.427 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.229 -5.034 0.614 1.00 0.00 H new ATOM 241 N GLY A 19 -1.159 -7.324 -0.941 1.00 0.00 N ATOM 242 CA GLY A 19 -0.711 -8.554 -1.568 1.00 0.00 C ATOM 243 C GLY A 19 0.024 -9.462 -0.601 1.00 0.00 C ATOM 244 O GLY A 19 -0.526 -10.461 -0.138 1.00 0.00 O ATOM 0 H GLY A 19 -1.361 -7.400 0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.571 -9.084 -1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.056 -8.314 -2.406 1.00 0.00 H new ATOM 248 N ASP A 20 1.270 -9.116 -0.297 1.00 0.00 N ATOM 249 CA ASP A 20 2.081 -9.908 0.620 1.00 0.00 C ATOM 250 C ASP A 20 3.413 -9.218 0.901 1.00 0.00 C ATOM 251 O ASP A 20 3.712 -8.169 0.332 1.00 0.00 O ATOM 252 CB ASP A 20 2.327 -11.302 0.042 1.00 0.00 C ATOM 253 CG ASP A 20 2.769 -12.296 1.099 1.00 0.00 C ATOM 254 OD1 ASP A 20 2.519 -12.040 2.295 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.364 -13.330 0.729 1.00 0.00 O ATOM 0 H ASP A 20 1.740 -8.292 -0.672 1.00 0.00 H new ATOM 0 HA ASP A 20 1.536 -10.003 1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.414 -11.662 -0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.088 -11.241 -0.736 1.00 0.00 H new ATOM 260 N ASN A 21 4.207 -9.814 1.784 1.00 0.00 N ATOM 261 CA ASN A 21 5.506 -9.256 2.143 1.00 0.00 C ATOM 262 C ASN A 21 6.486 -9.369 0.979 1.00 0.00 C ATOM 263 O ASN A 21 6.645 -10.438 0.389 1.00 0.00 O ATOM 264 CB ASN A 21 6.070 -9.972 3.372 1.00 0.00 C ATOM 265 CG ASN A 21 6.813 -11.244 3.009 1.00 0.00 C ATOM 266 OD1 ASN A 21 8.029 -11.336 3.179 1.00 0.00 O ATOM 267 ND2 ASN A 21 6.083 -12.232 2.506 1.00 0.00 N ATOM 0 H ASN A 21 3.974 -10.683 2.264 1.00 0.00 H new ATOM 0 HA ASN A 21 5.369 -8.201 2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.744 -9.300 3.904 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.255 -10.212 4.055 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.527 -13.112 2.243 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.078 -12.112 2.383 1.00 0.00 H new ATOM 274 N LEU A 22 7.142 -8.260 0.656 1.00 0.00 N ATOM 275 CA LEU A 22 8.108 -8.233 -0.437 1.00 0.00 C ATOM 276 C LEU A 22 9.521 -8.006 0.091 1.00 0.00 C ATOM 277 O LEU A 22 9.732 -7.205 1.002 1.00 0.00 O ATOM 278 CB LEU A 22 7.743 -7.138 -1.440 1.00 0.00 C ATOM 279 CG LEU A 22 6.276 -7.079 -1.867 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.724 -8.481 -2.071 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.451 -6.324 -0.836 1.00 0.00 C ATOM 0 H LEU A 22 7.023 -7.368 1.135 1.00 0.00 H new ATOM 0 HA LEU A 22 8.079 -9.200 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.014 -6.174 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.355 -7.272 -2.332 1.00 0.00 H new ATOM 0 HG LEU A 22 6.214 -6.544 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.679 -8.420 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.298 -8.989 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.799 -9.041 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.410 -6.292 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.519 -6.831 0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.832 -5.308 -0.739 1.00 0.00 H new ATOM 293 N ILE A 23 10.485 -8.713 -0.489 1.00 0.00 N ATOM 294 CA ILE A 23 11.877 -8.586 -0.078 1.00 0.00 C ATOM 295 C ILE A 23 12.777 -8.290 -1.274 1.00 0.00 C ATOM 296 O ILE A 23 12.832 -9.065 -2.229 1.00 0.00 O ATOM 297 CB ILE A 23 12.377 -9.862 0.623 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.487 -10.193 1.823 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.824 -9.694 1.061 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.671 -11.602 2.342 1.00 0.00 C ATOM 0 H ILE A 23 10.327 -9.379 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 23 11.924 -7.754 0.625 1.00 0.00 H new ATOM 0 HB ILE A 23 12.326 -10.690 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.698 -9.488 2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.444 -10.052 1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 23 14.163 -10.605 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.448 -9.501 0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.899 -8.856 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.009 -11.766 3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.432 -12.315 1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.705 -11.742 2.656 1.00 0.00 H new ATOM 312 N ILE A 24 13.483 -7.166 -1.212 1.00 0.00 N ATOM 313 CA ILE A 24 14.383 -6.770 -2.288 1.00 0.00 C ATOM 314 C ILE A 24 15.839 -6.840 -1.840 1.00 0.00 C ATOM 315 O ILE A 24 16.134 -6.839 -0.645 1.00 0.00 O ATOM 316 CB ILE A 24 14.078 -5.344 -2.782 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.559 -4.482 -1.628 1.00 0.00 C ATOM 318 CG2 ILE A 24 13.067 -5.382 -3.918 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.250 -3.057 -2.031 1.00 0.00 C ATOM 0 H ILE A 24 13.449 -6.514 -0.428 1.00 0.00 H new ATOM 0 HA ILE A 24 14.223 -7.471 -3.107 1.00 0.00 H new ATOM 0 HB ILE A 24 15.000 -4.900 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.658 -4.939 -1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.301 -4.473 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.862 -4.366 -4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.471 -5.965 -4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.143 -5.841 -3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.887 -2.504 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.154 -2.582 -2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.485 -3.056 -2.808 1.00 0.00 H new ATOM 331 N THR A 25 16.748 -6.899 -2.809 1.00 0.00 N ATOM 332 CA THR A 25 18.174 -6.969 -2.515 1.00 0.00 C ATOM 333 C THR A 25 18.950 -5.923 -3.308 1.00 0.00 C ATOM 334 O THR A 25 18.848 -5.856 -4.533 1.00 0.00 O ATOM 335 CB THR A 25 18.745 -8.364 -2.831 1.00 0.00 C ATOM 336 OG1 THR A 25 17.975 -9.371 -2.165 1.00 0.00 O ATOM 337 CG2 THR A 25 20.201 -8.464 -2.399 1.00 0.00 C ATOM 0 H THR A 25 16.522 -6.900 -3.804 1.00 0.00 H new ATOM 0 HA THR A 25 18.287 -6.771 -1.449 1.00 0.00 H new ATOM 0 HB THR A 25 18.691 -8.519 -3.909 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.343 -10.255 -2.372 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.582 -9.458 -2.632 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.790 -7.716 -2.929 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.275 -8.290 -1.326 1.00 0.00 H new ATOM 345 N LEU A 26 19.727 -5.109 -2.602 1.00 0.00 N ATOM 346 CA LEU A 26 20.522 -4.066 -3.240 1.00 0.00 C ATOM 347 C LEU A 26 21.319 -4.629 -4.412 1.00 0.00 C ATOM 348 O LEU A 26 21.602 -5.825 -4.484 1.00 0.00 O ATOM 349 CB LEU A 26 21.470 -3.426 -2.224 1.00 0.00 C ATOM 350 CG LEU A 26 20.854 -2.376 -1.300 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.889 -1.864 -0.309 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.274 -1.226 -2.111 1.00 0.00 C ATOM 0 H LEU A 26 19.823 -5.151 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 26 19.840 -3.305 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.898 -4.217 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.294 -2.964 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 26 20.044 -2.843 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.432 -1.117 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.257 -2.694 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.720 -1.414 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.840 -0.488 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 26 21.065 -0.760 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.501 -1.606 -2.780 1.00 0.00 H new ATOM 364 N PRO A 27 21.693 -3.748 -5.352 1.00 0.00 N ATOM 365 CA PRO A 27 21.361 -2.323 -5.277 1.00 0.00 C ATOM 366 C PRO A 27 19.873 -2.062 -5.485 1.00 0.00 C ATOM 367 O PRO A 27 19.358 -1.012 -5.099 1.00 0.00 O ATOM 368 CB PRO A 27 22.176 -1.708 -6.418 1.00 0.00 C ATOM 369 CG PRO A 27 22.372 -2.824 -7.386 1.00 0.00 C ATOM 370 CD PRO A 27 22.467 -4.077 -6.561 1.00 0.00 C ATOM 0 HA PRO A 27 21.589 -1.903 -4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.647 -0.873 -6.878 1.00 0.00 H new ATOM 0 HB3 PRO A 27 23.130 -1.322 -6.060 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.541 -2.882 -8.088 1.00 0.00 H new ATOM 0 HG3 PRO A 27 23.277 -2.675 -7.975 1.00 0.00 H new ATOM 0 HD2 PRO A 27 22.048 -4.936 -7.085 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.501 -4.323 -6.321 1.00 0.00 H new ATOM 378 N ASP A 28 19.188 -3.023 -6.095 1.00 0.00 N ATOM 379 CA ASP A 28 17.758 -2.897 -6.352 1.00 0.00 C ATOM 380 C ASP A 28 17.011 -2.497 -5.084 1.00 0.00 C ATOM 381 O ASP A 28 16.715 -3.336 -4.235 1.00 0.00 O ATOM 382 CB ASP A 28 17.199 -4.213 -6.895 1.00 0.00 C ATOM 383 CG ASP A 28 17.632 -4.482 -8.322 1.00 0.00 C ATOM 384 OD1 ASP A 28 17.027 -3.898 -9.246 1.00 0.00 O ATOM 385 OD2 ASP A 28 18.577 -5.275 -8.516 1.00 0.00 O ATOM 0 H ASP A 28 19.600 -3.898 -6.421 1.00 0.00 H new ATOM 0 HA ASP A 28 17.615 -2.115 -7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.528 -5.034 -6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.110 -4.189 -6.847 1.00 0.00 H new ATOM 390 N ASN A 29 16.711 -1.208 -4.962 1.00 0.00 N ATOM 391 CA ASN A 29 16.000 -0.695 -3.796 1.00 0.00 C ATOM 392 C ASN A 29 14.640 -0.130 -4.194 1.00 0.00 C ATOM 393 O ASN A 29 14.104 0.753 -3.525 1.00 0.00 O ATOM 394 CB ASN A 29 16.830 0.385 -3.101 1.00 0.00 C ATOM 395 CG ASN A 29 17.292 1.466 -4.060 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.625 1.757 -5.052 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.441 2.065 -3.766 1.00 0.00 N ATOM 0 H ASN A 29 16.949 -0.499 -5.656 1.00 0.00 H new ATOM 0 HA ASN A 29 15.842 -1.523 -3.105 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.239 0.838 -2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.699 -0.075 -2.630 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.804 2.799 -4.374 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.960 1.791 -2.932 1.00 0.00 H new ATOM 404 N GLU A 30 14.087 -0.647 -5.287 1.00 0.00 N ATOM 405 CA GLU A 30 12.789 -0.193 -5.773 1.00 0.00 C ATOM 406 C GLU A 30 11.737 -1.289 -5.621 1.00 0.00 C ATOM 407 O GLU A 30 12.005 -2.462 -5.877 1.00 0.00 O ATOM 408 CB GLU A 30 12.889 0.232 -7.240 1.00 0.00 C ATOM 409 CG GLU A 30 14.082 1.126 -7.534 1.00 0.00 C ATOM 410 CD GLU A 30 14.109 1.608 -8.972 1.00 0.00 C ATOM 411 OE1 GLU A 30 14.523 0.825 -9.853 1.00 0.00 O ATOM 412 OE2 GLU A 30 13.717 2.768 -9.215 1.00 0.00 O ATOM 0 H GLU A 30 14.517 -1.379 -5.852 1.00 0.00 H new ATOM 0 HA GLU A 30 12.485 0.665 -5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.951 -0.659 -7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.975 0.755 -7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.059 1.987 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.001 0.581 -7.320 1.00 0.00 H new ATOM 419 N VAL A 31 10.539 -0.896 -5.200 1.00 0.00 N ATOM 420 CA VAL A 31 9.446 -1.843 -5.014 1.00 0.00 C ATOM 421 C VAL A 31 8.109 -1.222 -5.401 1.00 0.00 C ATOM 422 O VAL A 31 7.828 -0.072 -5.068 1.00 0.00 O ATOM 423 CB VAL A 31 9.369 -2.331 -3.555 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.556 -1.168 -2.592 1.00 0.00 C ATOM 425 CG2 VAL A 31 8.047 -3.038 -3.299 1.00 0.00 C ATOM 0 H VAL A 31 10.301 0.071 -4.981 1.00 0.00 H new ATOM 0 HA VAL A 31 9.650 -2.694 -5.664 1.00 0.00 H new ATOM 0 HB VAL A 31 10.175 -3.045 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.498 -1.532 -1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.530 -0.709 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.773 -0.428 -2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.010 -3.376 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.224 -2.349 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.959 -3.897 -3.964 1.00 0.00 H new ATOM 435 N GLU A 32 7.288 -1.993 -6.108 1.00 0.00 N ATOM 436 CA GLU A 32 5.979 -1.517 -6.542 1.00 0.00 C ATOM 437 C GLU A 32 4.863 -2.336 -5.900 1.00 0.00 C ATOM 438 O GLU A 32 4.730 -3.534 -6.155 1.00 0.00 O ATOM 439 CB GLU A 32 5.866 -1.587 -8.066 1.00 0.00 C ATOM 440 CG GLU A 32 4.460 -1.338 -8.584 1.00 0.00 C ATOM 441 CD GLU A 32 4.421 -1.117 -10.084 1.00 0.00 C ATOM 442 OE1 GLU A 32 5.453 -0.697 -10.648 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.360 -1.364 -10.693 1.00 0.00 O ATOM 0 H GLU A 32 7.506 -2.948 -6.392 1.00 0.00 H new ATOM 0 HA GLU A 32 5.874 -0.480 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.541 -0.853 -8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.199 -2.569 -8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.827 -2.188 -8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.041 -0.467 -8.081 1.00 0.00 H new ATOM 450 N LEU A 33 4.063 -1.682 -5.065 1.00 0.00 N ATOM 451 CA LEU A 33 2.957 -2.348 -4.385 1.00 0.00 C ATOM 452 C LEU A 33 1.633 -2.057 -5.085 1.00 0.00 C ATOM 453 O LEU A 33 1.494 -1.051 -5.781 1.00 0.00 O ATOM 454 CB LEU A 33 2.886 -1.897 -2.925 1.00 0.00 C ATOM 455 CG LEU A 33 4.192 -1.971 -2.135 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.210 -0.924 -1.032 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.385 -3.364 -1.552 1.00 0.00 C ATOM 0 H LEU A 33 4.159 -0.691 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 33 3.135 -3.423 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.528 -0.868 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.140 -2.506 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 33 5.017 -1.766 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.148 -0.992 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.119 0.069 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.376 -1.097 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.320 -3.398 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.555 -3.598 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.419 -4.095 -2.360 1.00 0.00 H new ATOM 469 N LYS A 34 0.662 -2.943 -4.893 1.00 0.00 N ATOM 470 CA LYS A 34 -0.653 -2.781 -5.502 1.00 0.00 C ATOM 471 C LYS A 34 -1.759 -3.037 -4.483 1.00 0.00 C ATOM 472 O LYS A 34 -1.763 -4.061 -3.801 1.00 0.00 O ATOM 473 CB LYS A 34 -0.808 -3.733 -6.690 1.00 0.00 C ATOM 474 CG LYS A 34 -1.845 -3.279 -7.702 1.00 0.00 C ATOM 475 CD LYS A 34 -2.204 -4.392 -8.672 1.00 0.00 C ATOM 476 CE LYS A 34 -3.194 -3.918 -9.724 1.00 0.00 C ATOM 477 NZ LYS A 34 -2.515 -3.216 -10.848 1.00 0.00 N ATOM 0 H LYS A 34 0.761 -3.781 -4.320 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.739 -1.753 -5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.155 -3.836 -7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.082 -4.721 -6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.742 -2.947 -7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.463 -2.422 -8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.300 -4.756 -9.160 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.630 -5.231 -8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.749 -4.772 -10.112 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.920 -3.248 -9.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.224 -2.908 -11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.006 -2.386 -10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.840 -3.863 -11.304 1.00 0.00 H new ATOM 491 N ALA A 35 -2.698 -2.101 -4.388 1.00 0.00 N ATOM 492 CA ALA A 35 -3.811 -2.227 -3.455 1.00 0.00 C ATOM 493 C ALA A 35 -4.972 -2.988 -4.087 1.00 0.00 C ATOM 494 O ALA A 35 -5.321 -2.758 -5.245 1.00 0.00 O ATOM 495 CB ALA A 35 -4.268 -0.853 -2.990 1.00 0.00 C ATOM 0 H ALA A 35 -2.710 -1.247 -4.946 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.467 -2.794 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.100 -0.962 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.443 -0.344 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.590 -0.266 -3.850 1.00 0.00 H new ATOM 501 N PHE A 36 -5.567 -3.894 -3.319 1.00 0.00 N ATOM 502 CA PHE A 36 -6.688 -4.690 -3.804 1.00 0.00 C ATOM 503 C PHE A 36 -7.862 -4.627 -2.831 1.00 0.00 C ATOM 504 O PHE A 36 -7.764 -5.087 -1.693 1.00 0.00 O ATOM 505 CB PHE A 36 -6.258 -6.144 -4.009 1.00 0.00 C ATOM 506 CG PHE A 36 -5.582 -6.390 -5.327 1.00 0.00 C ATOM 507 CD1 PHE A 36 -6.206 -6.047 -6.516 1.00 0.00 C ATOM 508 CD2 PHE A 36 -4.322 -6.964 -5.378 1.00 0.00 C ATOM 509 CE1 PHE A 36 -5.586 -6.271 -7.731 1.00 0.00 C ATOM 510 CE2 PHE A 36 -3.697 -7.190 -6.590 1.00 0.00 C ATOM 511 CZ PHE A 36 -4.330 -6.844 -7.768 1.00 0.00 C ATOM 0 H PHE A 36 -5.292 -4.095 -2.358 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.009 -4.275 -4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.582 -6.431 -3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.135 -6.788 -3.934 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.189 -5.599 -6.493 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.823 -7.238 -4.460 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.083 -5.998 -8.650 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.714 -7.637 -6.616 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.844 -7.021 -8.716 1.00 0.00 H new ATOM 521 N VAL A 37 -8.971 -4.054 -3.287 1.00 0.00 N ATOM 522 CA VAL A 37 -10.164 -3.930 -2.458 1.00 0.00 C ATOM 523 C VAL A 37 -11.373 -4.563 -3.137 1.00 0.00 C ATOM 524 O VAL A 37 -11.538 -4.462 -4.353 1.00 0.00 O ATOM 525 CB VAL A 37 -10.479 -2.456 -2.144 1.00 0.00 C ATOM 526 CG1 VAL A 37 -10.564 -1.642 -3.426 1.00 0.00 C ATOM 527 CG2 VAL A 37 -11.769 -2.345 -1.345 1.00 0.00 C ATOM 0 H VAL A 37 -9.068 -3.668 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.957 -4.456 -1.526 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.668 -2.051 -1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.787 -0.603 -3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.612 -1.695 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.354 -2.044 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.976 -1.296 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.592 -2.767 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.665 -2.892 -0.408 1.00 0.00 H new ATOM 537 N ALA A 38 -12.217 -5.215 -2.344 1.00 0.00 N ATOM 538 CA ALA A 38 -13.413 -5.862 -2.869 1.00 0.00 C ATOM 539 C ALA A 38 -14.612 -5.621 -1.957 1.00 0.00 C ATOM 540 O ALA A 38 -14.489 -5.554 -0.734 1.00 0.00 O ATOM 541 CB ALA A 38 -13.172 -7.354 -3.043 1.00 0.00 C ATOM 0 H ALA A 38 -12.095 -5.309 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.636 -5.425 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -14.073 -7.825 -3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.348 -7.511 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.922 -7.797 -2.079 1.00 0.00 H new ATOM 547 N PRO A 39 -15.800 -5.487 -2.565 1.00 0.00 N ATOM 548 CA PRO A 39 -15.959 -5.564 -4.020 1.00 0.00 C ATOM 549 C PRO A 39 -15.348 -4.364 -4.735 1.00 0.00 C ATOM 550 O PRO A 39 -15.222 -3.284 -4.157 1.00 0.00 O ATOM 551 CB PRO A 39 -17.477 -5.584 -4.211 1.00 0.00 C ATOM 552 CG PRO A 39 -18.020 -4.906 -3.001 1.00 0.00 C ATOM 553 CD PRO A 39 -17.081 -5.248 -1.878 1.00 0.00 C ATOM 0 HA PRO A 39 -15.451 -6.433 -4.439 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.768 -5.061 -5.122 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.852 -6.604 -4.295 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.074 -3.828 -3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -19.031 -5.249 -2.782 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.004 -4.435 -1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.414 -6.130 -1.330 1.00 0.00 H new ATOM 561 N ALA A 40 -14.970 -4.560 -5.994 1.00 0.00 N ATOM 562 CA ALA A 40 -14.375 -3.492 -6.787 1.00 0.00 C ATOM 563 C ALA A 40 -15.409 -2.430 -7.143 1.00 0.00 C ATOM 564 O ALA A 40 -16.561 -2.731 -7.456 1.00 0.00 O ATOM 565 CB ALA A 40 -13.745 -4.061 -8.050 1.00 0.00 C ATOM 0 H ALA A 40 -15.065 -5.448 -6.486 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.598 -3.018 -6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.304 -3.252 -8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.969 -4.777 -7.779 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.509 -4.562 -8.644 1.00 0.00 H new ATOM 571 N PRO A 41 -14.992 -1.156 -7.093 1.00 0.00 N ATOM 572 CA PRO A 41 -15.868 -0.023 -7.407 1.00 0.00 C ATOM 573 C PRO A 41 -16.218 0.046 -8.889 1.00 0.00 C ATOM 574 O PRO A 41 -15.529 -0.515 -9.741 1.00 0.00 O ATOM 575 CB PRO A 41 -15.035 1.194 -6.996 1.00 0.00 C ATOM 576 CG PRO A 41 -13.621 0.735 -7.093 1.00 0.00 C ATOM 577 CD PRO A 41 -13.633 -0.723 -6.728 1.00 0.00 C ATOM 0 HA PRO A 41 -16.826 -0.094 -6.893 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.222 2.042 -7.654 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -15.278 1.517 -5.984 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.231 0.882 -8.100 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.980 1.301 -6.417 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.873 -1.280 -7.276 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.435 -0.873 -5.667 1.00 0.00 H new ATOM 585 N PRO A 42 -17.313 0.752 -9.208 1.00 0.00 N ATOM 586 CA PRO A 42 -17.778 0.912 -10.589 1.00 0.00 C ATOM 587 C PRO A 42 -16.849 1.796 -11.414 1.00 0.00 C ATOM 588 O PRO A 42 -15.744 2.125 -10.984 1.00 0.00 O ATOM 589 CB PRO A 42 -19.147 1.578 -10.427 1.00 0.00 C ATOM 590 CG PRO A 42 -19.071 2.287 -9.119 1.00 0.00 C ATOM 591 CD PRO A 42 -18.182 1.448 -8.244 1.00 0.00 C ATOM 0 HA PRO A 42 -17.812 -0.039 -11.121 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -19.348 2.273 -11.243 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.949 0.840 -10.431 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -18.663 3.290 -9.242 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -20.061 2.398 -8.677 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -17.604 2.061 -7.552 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.758 0.745 -7.642 1.00 0.00 H new ATOM 599 N VAL A 43 -17.306 2.179 -12.602 1.00 0.00 N ATOM 600 CA VAL A 43 -16.516 3.027 -13.488 1.00 0.00 C ATOM 601 C VAL A 43 -16.515 4.473 -13.006 1.00 0.00 C ATOM 602 O VAL A 43 -15.478 5.136 -13.006 1.00 0.00 O ATOM 603 CB VAL A 43 -17.048 2.978 -14.932 1.00 0.00 C ATOM 604 CG1 VAL A 43 -18.522 3.353 -14.972 1.00 0.00 C ATOM 605 CG2 VAL A 43 -16.232 3.895 -15.831 1.00 0.00 C ATOM 0 H VAL A 43 -18.219 1.916 -12.973 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.497 2.641 -13.472 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.947 1.958 -15.303 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -18.880 3.313 -16.001 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -19.092 2.653 -14.362 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.651 4.363 -14.582 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -16.621 3.848 -16.848 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -16.299 4.919 -15.463 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -15.190 3.576 -15.827 1.00 0.00 H new ATOM 615 N GLU A 44 -17.684 4.956 -12.597 1.00 0.00 N ATOM 616 CA GLU A 44 -17.817 6.325 -12.113 1.00 0.00 C ATOM 617 C GLU A 44 -17.237 6.464 -10.708 1.00 0.00 C ATOM 618 O GLU A 44 -16.249 7.169 -10.499 1.00 0.00 O ATOM 619 CB GLU A 44 -19.287 6.749 -12.114 1.00 0.00 C ATOM 620 CG GLU A 44 -19.866 6.934 -13.506 1.00 0.00 C ATOM 621 CD GLU A 44 -21.204 7.648 -13.492 1.00 0.00 C ATOM 622 OE1 GLU A 44 -21.212 8.893 -13.406 1.00 0.00 O ATOM 623 OE2 GLU A 44 -22.244 6.959 -13.566 1.00 0.00 O ATOM 0 H GLU A 44 -18.552 4.420 -12.591 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.258 6.977 -12.784 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.873 5.999 -11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.387 7.683 -11.561 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.162 7.501 -14.116 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -19.984 5.959 -13.979 1.00 0.00 H new ATOM 630 N THR A 45 -17.860 5.788 -9.747 1.00 0.00 N ATOM 631 CA THR A 45 -17.408 5.837 -8.363 1.00 0.00 C ATOM 632 C THR A 45 -16.146 5.005 -8.166 1.00 0.00 C ATOM 633 O THR A 45 -16.085 3.844 -8.573 1.00 0.00 O ATOM 634 CB THR A 45 -18.497 5.332 -7.398 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.748 5.961 -7.699 1.00 0.00 O ATOM 636 CG2 THR A 45 -18.115 5.618 -5.954 1.00 0.00 C ATOM 0 H THR A 45 -18.679 5.200 -9.903 1.00 0.00 H new ATOM 0 HA THR A 45 -17.190 6.881 -8.139 1.00 0.00 H new ATOM 0 HB THR A 45 -18.593 4.254 -7.525 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.436 5.633 -7.082 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.899 5.252 -5.291 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.177 5.114 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.994 6.692 -5.815 1.00 0.00 H new ATOM 644 N THR A 46 -15.138 5.606 -7.540 1.00 0.00 N ATOM 645 CA THR A 46 -13.876 4.920 -7.290 1.00 0.00 C ATOM 646 C THR A 46 -13.292 5.319 -5.940 1.00 0.00 C ATOM 647 O THR A 46 -13.305 6.493 -5.569 1.00 0.00 O ATOM 648 CB THR A 46 -12.844 5.223 -8.393 1.00 0.00 C ATOM 649 OG1 THR A 46 -12.796 6.632 -8.645 1.00 0.00 O ATOM 650 CG2 THR A 46 -13.192 4.484 -9.677 1.00 0.00 C ATOM 0 H THR A 46 -15.171 6.566 -7.197 1.00 0.00 H new ATOM 0 HA THR A 46 -14.092 3.852 -7.288 1.00 0.00 H new ATOM 0 HB THR A 46 -11.867 4.882 -8.050 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.137 6.817 -9.346 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.450 4.713 -10.441 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.199 3.410 -9.488 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.177 4.798 -10.022 1.00 0.00 H new ATOM 658 N TYR A 47 -12.780 4.335 -5.209 1.00 0.00 N ATOM 659 CA TYR A 47 -12.192 4.584 -3.898 1.00 0.00 C ATOM 660 C TYR A 47 -10.862 5.320 -4.028 1.00 0.00 C ATOM 661 O TYR A 47 -10.277 5.381 -5.109 1.00 0.00 O ATOM 662 CB TYR A 47 -11.987 3.265 -3.150 1.00 0.00 C ATOM 663 CG TYR A 47 -13.197 2.359 -3.177 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.476 2.870 -3.000 1.00 0.00 C ATOM 665 CD2 TYR A 47 -13.060 0.991 -3.380 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.584 2.046 -3.023 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.163 0.160 -3.406 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.423 0.691 -3.227 1.00 0.00 C ATOM 669 OH TYR A 47 -16.524 -0.133 -3.252 1.00 0.00 O ATOM 0 H TYR A 47 -12.760 3.358 -5.502 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.880 5.212 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.139 2.738 -3.587 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.729 3.481 -2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.607 3.930 -2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.075 0.571 -3.520 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.571 2.460 -2.882 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.039 -0.901 -3.566 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.237 -1.057 -3.407 1.00 0.00 H new ATOM 679 N ASN A 48 -10.390 5.877 -2.917 1.00 0.00 N ATOM 680 CA ASN A 48 -9.129 6.609 -2.906 1.00 0.00 C ATOM 681 C ASN A 48 -8.041 5.807 -2.199 1.00 0.00 C ATOM 682 O ASN A 48 -8.270 5.234 -1.134 1.00 0.00 O ATOM 683 CB ASN A 48 -9.308 7.964 -2.217 1.00 0.00 C ATOM 684 CG ASN A 48 -8.350 9.013 -2.746 1.00 0.00 C ATOM 685 OD1 ASN A 48 -7.063 8.690 -2.752 1.00 0.00 O flip ATOM 686 ND2 ASN A 48 -8.764 10.102 -3.146 1.00 0.00 N flip ATOM 0 H ASN A 48 -10.862 5.835 -2.014 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.823 6.772 -3.939 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.333 8.308 -2.358 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.156 7.846 -1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.763 10.308 -3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.108 10.798 -3.500 1.00 0.00 H new ATOM 693 N TYR A 49 -6.856 5.771 -2.800 1.00 0.00 N ATOM 694 CA TYR A 49 -5.732 5.038 -2.230 1.00 0.00 C ATOM 695 C TYR A 49 -4.754 5.987 -1.544 1.00 0.00 C ATOM 696 O TYR A 49 -4.105 6.803 -2.196 1.00 0.00 O ATOM 697 CB TYR A 49 -5.010 4.242 -3.319 1.00 0.00 C ATOM 698 CG TYR A 49 -5.936 3.409 -4.175 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.456 2.209 -3.705 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.291 3.820 -5.453 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.302 1.443 -4.484 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.138 3.062 -6.239 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.641 1.874 -5.750 1.00 0.00 C ATOM 704 OH TYR A 49 -8.483 1.115 -6.529 1.00 0.00 O ATOM 0 H TYR A 49 -6.650 6.241 -3.681 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.123 4.347 -1.483 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.461 4.933 -3.959 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.274 3.588 -2.851 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.194 1.869 -2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.898 4.749 -5.840 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.696 0.512 -4.104 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.405 3.398 -7.230 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.621 1.560 -7.391 1.00 0.00 H new ATOM 714 N GLU A 50 -4.655 5.871 -0.223 1.00 0.00 N ATOM 715 CA GLU A 50 -3.756 6.718 0.552 1.00 0.00 C ATOM 716 C GLU A 50 -2.733 5.877 1.309 1.00 0.00 C ATOM 717 O GLU A 50 -3.055 5.249 2.318 1.00 0.00 O ATOM 718 CB GLU A 50 -4.553 7.579 1.535 1.00 0.00 C ATOM 719 CG GLU A 50 -3.686 8.298 2.555 1.00 0.00 C ATOM 720 CD GLU A 50 -4.503 9.031 3.601 1.00 0.00 C ATOM 721 OE1 GLU A 50 -5.211 9.992 3.233 1.00 0.00 O ATOM 722 OE2 GLU A 50 -4.433 8.646 4.787 1.00 0.00 O ATOM 0 H GLU A 50 -5.186 5.200 0.332 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.223 7.369 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.128 8.316 0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.269 6.947 2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.036 7.575 3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.040 9.009 2.040 1.00 0.00 H new ATOM 729 N TRP A 51 -1.500 5.870 0.815 1.00 0.00 N ATOM 730 CA TRP A 51 -0.430 5.105 1.445 1.00 0.00 C ATOM 731 C TRP A 51 0.307 5.950 2.478 1.00 0.00 C ATOM 732 O TRP A 51 0.269 7.179 2.430 1.00 0.00 O ATOM 733 CB TRP A 51 0.553 4.599 0.387 1.00 0.00 C ATOM 734 CG TRP A 51 -0.045 3.586 -0.542 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.732 3.837 -1.695 1.00 0.00 C ATOM 736 CD2 TRP A 51 -0.009 2.162 -0.395 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.126 2.654 -2.274 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.694 1.613 -1.496 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.536 1.298 0.559 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.848 0.239 -1.667 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.382 -0.064 0.388 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.304 -0.583 -0.718 1.00 0.00 C ATOM 0 H TRP A 51 -1.217 6.385 -0.019 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.878 4.251 1.954 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.917 5.446 -0.195 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.417 4.160 0.885 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.936 4.820 -2.093 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.654 2.566 -3.142 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.068 1.688 1.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.378 -0.163 -2.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.798 -0.741 1.120 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.405 -1.653 -0.824 1.00 0.00 H new ATOM 753 N ASN A 52 0.978 5.283 3.412 1.00 0.00 N ATOM 754 CA ASN A 52 1.724 5.974 4.458 1.00 0.00 C ATOM 755 C ASN A 52 2.626 5.003 5.214 1.00 0.00 C ATOM 756 O ASN A 52 2.350 3.804 5.280 1.00 0.00 O ATOM 757 CB ASN A 52 0.762 6.658 5.431 1.00 0.00 C ATOM 758 CG ASN A 52 0.301 8.014 4.932 1.00 0.00 C ATOM 759 OD1 ASN A 52 1.067 8.978 4.923 1.00 0.00 O ATOM 760 ND2 ASN A 52 -0.956 8.093 4.512 1.00 0.00 N ATOM 0 H ASN A 52 1.020 4.265 3.466 1.00 0.00 H new ATOM 0 HA ASN A 52 2.350 6.730 3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.106 6.018 5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.251 6.777 6.398 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.323 8.979 4.164 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.555 7.268 4.538 1.00 0.00 H new ATOM 767 N LEU A 53 3.704 5.529 5.784 1.00 0.00 N ATOM 768 CA LEU A 53 4.648 4.709 6.538 1.00 0.00 C ATOM 769 C LEU A 53 4.413 4.849 8.038 1.00 0.00 C ATOM 770 O LEU A 53 4.688 5.897 8.624 1.00 0.00 O ATOM 771 CB LEU A 53 6.085 5.106 6.195 1.00 0.00 C ATOM 772 CG LEU A 53 7.176 4.137 6.653 1.00 0.00 C ATOM 773 CD1 LEU A 53 7.112 2.846 5.853 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.549 4.780 6.522 1.00 0.00 C ATOM 0 H LEU A 53 3.947 6.519 5.739 1.00 0.00 H new ATOM 0 HA LEU A 53 4.490 3.667 6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.161 5.222 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.286 6.083 6.635 1.00 0.00 H new ATOM 0 HG LEU A 53 7.007 3.899 7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.895 2.168 6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.139 2.377 5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.256 3.066 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.313 4.076 6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.728 5.047 5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.591 5.677 7.139 1.00 0.00 H new ATOM 786 N ILE A 54 3.905 3.787 8.654 1.00 0.00 N ATOM 787 CA ILE A 54 3.637 3.791 10.087 1.00 0.00 C ATOM 788 C ILE A 54 4.756 3.098 10.857 1.00 0.00 C ATOM 789 O ILE A 54 5.020 3.423 12.014 1.00 0.00 O ATOM 790 CB ILE A 54 2.300 3.098 10.411 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.311 1.656 9.899 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.141 3.873 9.803 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.950 1.532 8.436 1.00 0.00 C ATOM 0 H ILE A 54 3.671 2.913 8.183 1.00 0.00 H new ATOM 0 HA ILE A 54 3.580 4.835 10.395 1.00 0.00 H new ATOM 0 HB ILE A 54 2.170 3.078 11.493 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.302 1.230 10.058 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.611 1.064 10.489 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.203 3.371 10.041 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.125 4.884 10.211 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.263 3.921 8.721 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.978 0.483 8.142 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.947 1.928 8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.664 2.096 7.836 1.00 0.00 H new ATOM 805 N SER A 55 5.411 2.142 10.206 1.00 0.00 N ATOM 806 CA SER A 55 6.501 1.402 10.831 1.00 0.00 C ATOM 807 C SER A 55 7.763 1.469 9.976 1.00 0.00 C ATOM 808 O SER A 55 7.749 1.111 8.798 1.00 0.00 O ATOM 809 CB SER A 55 6.096 -0.057 11.048 1.00 0.00 C ATOM 810 OG SER A 55 5.514 -0.240 12.327 1.00 0.00 O ATOM 0 H SER A 55 5.206 1.862 9.247 1.00 0.00 H new ATOM 0 HA SER A 55 6.712 1.861 11.797 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.388 -0.360 10.276 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.971 -0.699 10.948 1.00 0.00 H new ATOM 0 HG SER A 55 5.262 -1.180 12.440 1.00 0.00 H new ATOM 816 N HIS A 56 8.854 1.932 10.578 1.00 0.00 N ATOM 817 CA HIS A 56 10.126 2.046 9.874 1.00 0.00 C ATOM 818 C HIS A 56 11.278 2.228 10.858 1.00 0.00 C ATOM 819 O HIS A 56 11.109 2.754 11.958 1.00 0.00 O ATOM 820 CB HIS A 56 10.087 3.220 8.894 1.00 0.00 C ATOM 821 CG HIS A 56 10.013 4.557 9.564 1.00 0.00 C ATOM 822 ND1 HIS A 56 11.114 5.195 10.095 1.00 0.00 N ATOM 823 CD2 HIS A 56 8.960 5.379 9.785 1.00 0.00 C ATOM 824 CE1 HIS A 56 10.742 6.350 10.617 1.00 0.00 C ATOM 825 NE2 HIS A 56 9.440 6.486 10.441 1.00 0.00 N ATOM 0 H HIS A 56 8.883 2.234 11.552 1.00 0.00 H new ATOM 0 HA HIS A 56 10.289 1.123 9.318 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.976 3.187 8.265 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.226 3.105 8.236 1.00 0.00 H new ATOM 0 HD1 HIS A 56 12.067 4.832 10.086 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.934 5.198 9.499 1.00 0.00 H new ATOM 0 HE1 HIS A 56 11.392 7.062 11.105 1.00 0.00 H new ATOM 834 N PRO A 57 12.478 1.784 10.454 1.00 0.00 N ATOM 835 CA PRO A 57 13.680 1.887 11.286 1.00 0.00 C ATOM 836 C PRO A 57 14.157 3.327 11.440 1.00 0.00 C ATOM 837 O PRO A 57 13.715 4.220 10.716 1.00 0.00 O ATOM 838 CB PRO A 57 14.715 1.060 10.517 1.00 0.00 C ATOM 839 CG PRO A 57 14.254 1.099 9.101 1.00 0.00 C ATOM 840 CD PRO A 57 12.752 1.147 9.155 1.00 0.00 C ATOM 0 HA PRO A 57 13.503 1.536 12.303 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.715 1.482 10.620 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.761 0.037 10.890 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.654 1.972 8.584 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.597 0.220 8.555 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.338 1.725 8.329 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.316 0.150 9.096 1.00 0.00 H new ATOM 848 N THR A 58 15.063 3.547 12.388 1.00 0.00 N ATOM 849 CA THR A 58 15.599 4.879 12.638 1.00 0.00 C ATOM 850 C THR A 58 16.507 5.329 11.499 1.00 0.00 C ATOM 851 O THR A 58 16.611 6.520 11.208 1.00 0.00 O ATOM 852 CB THR A 58 16.389 4.928 13.959 1.00 0.00 C ATOM 853 OG1 THR A 58 16.440 6.272 14.450 1.00 0.00 O ATOM 854 CG2 THR A 58 17.803 4.400 13.764 1.00 0.00 C ATOM 0 H THR A 58 15.441 2.820 12.995 1.00 0.00 H new ATOM 0 HA THR A 58 14.746 5.555 12.708 1.00 0.00 H new ATOM 0 HB THR A 58 15.879 4.295 14.685 1.00 0.00 H new ATOM 0 HG1 THR A 58 16.943 6.294 15.291 1.00 0.00 H new ATOM 0 HG21 THR A 58 18.342 4.444 14.711 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.761 3.367 13.418 1.00 0.00 H new ATOM 0 HG23 THR A 58 18.320 5.010 13.023 1.00 0.00 H new ATOM 862 N ASP A 59 17.163 4.368 10.857 1.00 0.00 N ATOM 863 CA ASP A 59 18.062 4.665 9.748 1.00 0.00 C ATOM 864 C ASP A 59 17.306 5.322 8.597 1.00 0.00 C ATOM 865 O ASP A 59 17.890 6.045 7.790 1.00 0.00 O ATOM 866 CB ASP A 59 18.746 3.386 9.261 1.00 0.00 C ATOM 867 CG ASP A 59 20.033 3.098 10.009 1.00 0.00 C ATOM 868 OD1 ASP A 59 20.948 3.947 9.965 1.00 0.00 O ATOM 869 OD2 ASP A 59 20.125 2.024 10.639 1.00 0.00 O ATOM 0 H ASP A 59 17.089 3.377 11.086 1.00 0.00 H new ATOM 0 HA ASP A 59 18.822 5.361 10.105 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.064 2.544 9.380 1.00 0.00 H new ATOM 0 HB3 ASP A 59 18.960 3.475 8.196 1.00 0.00 H new ATOM 874 N TYR A 60 16.005 5.065 8.528 1.00 0.00 N ATOM 875 CA TYR A 60 15.169 5.628 7.474 1.00 0.00 C ATOM 876 C TYR A 60 14.292 6.751 8.016 1.00 0.00 C ATOM 877 O TYR A 60 13.598 6.582 9.019 1.00 0.00 O ATOM 878 CB TYR A 60 14.295 4.538 6.850 1.00 0.00 C ATOM 879 CG TYR A 60 13.785 4.888 5.470 1.00 0.00 C ATOM 880 CD1 TYR A 60 14.571 4.677 4.344 1.00 0.00 C ATOM 881 CD2 TYR A 60 12.518 5.429 5.292 1.00 0.00 C ATOM 882 CE1 TYR A 60 14.110 4.995 3.081 1.00 0.00 C ATOM 883 CE2 TYR A 60 12.048 5.749 4.033 1.00 0.00 C ATOM 884 CZ TYR A 60 12.848 5.530 2.931 1.00 0.00 C ATOM 885 OH TYR A 60 12.384 5.848 1.675 1.00 0.00 O ATOM 0 H TYR A 60 15.506 4.470 9.190 1.00 0.00 H new ATOM 0 HA TYR A 60 15.824 6.042 6.707 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.868 3.613 6.793 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.445 4.346 7.505 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.559 4.257 4.458 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.889 5.602 6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.734 4.826 2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.060 6.168 3.912 1.00 0.00 H new ATOM 0 HH TYR A 60 11.477 6.213 1.744 1.00 0.00 H new ATOM 934 N ILE A 64 7.578 9.318 1.364 1.00 0.00 N ATOM 935 CA ILE A 64 6.707 8.651 0.406 1.00 0.00 C ATOM 936 C ILE A 64 5.586 9.576 -0.056 1.00 0.00 C ATOM 937 O ILE A 64 5.106 10.416 0.706 1.00 0.00 O ATOM 938 CB ILE A 64 6.088 7.372 1.003 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.184 6.463 1.561 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.269 6.640 -0.049 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.650 5.284 2.345 1.00 0.00 C ATOM 0 HA ILE A 64 7.327 8.381 -0.449 1.00 0.00 H new ATOM 0 HB ILE A 64 5.424 7.653 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.794 6.094 0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.839 7.050 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.838 5.739 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.469 7.290 -0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.912 6.366 -0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.483 4.683 2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.064 5.645 3.190 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.018 4.674 1.699 1.00 0.00 H new ATOM 953 N LYS A 65 5.172 9.416 -1.308 1.00 0.00 N ATOM 954 CA LYS A 65 4.105 10.234 -1.872 1.00 0.00 C ATOM 955 C LYS A 65 2.737 9.649 -1.539 1.00 0.00 C ATOM 956 O LYS A 65 1.763 9.877 -2.257 1.00 0.00 O ATOM 957 CB LYS A 65 4.268 10.346 -3.390 1.00 0.00 C ATOM 958 CG LYS A 65 5.589 10.963 -3.816 1.00 0.00 C ATOM 959 CD LYS A 65 5.607 12.463 -3.574 1.00 0.00 C ATOM 960 CE LYS A 65 5.006 13.224 -4.747 1.00 0.00 C ATOM 961 NZ LYS A 65 4.902 14.683 -4.467 1.00 0.00 N ATOM 0 H LYS A 65 5.560 8.727 -1.952 1.00 0.00 H new ATOM 0 HA LYS A 65 4.172 11.229 -1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.182 9.353 -3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.451 10.945 -3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.405 10.495 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.761 10.762 -4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.050 12.693 -2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.633 12.794 -3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.620 13.067 -5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.016 12.825 -4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.488 15.166 -5.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.296 14.835 -3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.849 15.069 -4.280 1.00 0.00 H new ATOM 975 N GLN A 66 2.670 8.896 -0.446 1.00 0.00 N ATOM 976 CA GLN A 66 1.420 8.280 -0.018 1.00 0.00 C ATOM 977 C GLN A 66 0.694 7.644 -1.200 1.00 0.00 C ATOM 978 O GLN A 66 -0.526 7.486 -1.180 1.00 0.00 O ATOM 979 CB GLN A 66 0.517 9.318 0.650 1.00 0.00 C ATOM 980 CG GLN A 66 1.103 9.901 1.927 1.00 0.00 C ATOM 981 CD GLN A 66 0.652 11.326 2.178 1.00 0.00 C ATOM 982 OE1 GLN A 66 0.347 12.067 1.243 1.00 0.00 O ATOM 983 NE2 GLN A 66 0.606 11.718 3.446 1.00 0.00 N ATOM 0 H GLN A 66 3.467 8.698 0.159 1.00 0.00 H new ATOM 0 HA GLN A 66 1.658 7.498 0.703 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.324 10.127 -0.054 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.445 8.858 0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.813 9.278 2.773 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.191 9.873 1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.868 11.071 4.190 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.309 12.666 3.676 1.00 0.00 H new ATOM 992 N GLY A 67 1.454 7.282 -2.229 1.00 0.00 N ATOM 993 CA GLY A 67 0.866 6.668 -3.406 1.00 0.00 C ATOM 994 C GLY A 67 -0.530 7.185 -3.692 1.00 0.00 C ATOM 995 O GLY A 67 -1.521 6.545 -3.339 1.00 0.00 O ATOM 0 H GLY A 67 2.466 7.403 -2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.505 6.858 -4.269 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.829 5.587 -3.269 1.00 0.00 H new ATOM 999 N HIS A 68 -0.610 8.346 -4.334 1.00 0.00 N ATOM 1000 CA HIS A 68 -1.895 8.949 -4.667 1.00 0.00 C ATOM 1001 C HIS A 68 -2.719 8.018 -5.551 1.00 0.00 C ATOM 1002 O HIS A 68 -3.910 8.244 -5.770 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.686 10.289 -5.373 1.00 0.00 C ATOM 1004 CG HIS A 68 -0.859 11.259 -4.586 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -1.078 11.525 -3.251 1.00 0.00 N ATOM 1006 CD2 HIS A 68 0.194 12.026 -4.953 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.197 12.415 -2.832 1.00 0.00 C ATOM 1008 NE2 HIS A 68 0.587 12.735 -3.845 1.00 0.00 N ATOM 0 H HIS A 68 0.200 8.888 -4.634 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.441 9.117 -3.739 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.206 10.112 -6.335 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.658 10.737 -5.579 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.642 12.072 -5.935 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.129 12.814 -1.831 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.359 13.401 -3.810 1.00 0.00 H new ATOM 1017 N LYS A 69 -2.078 6.971 -6.058 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.751 6.004 -6.918 1.00 0.00 C ATOM 1019 C LYS A 69 -2.888 4.656 -6.218 1.00 0.00 C ATOM 1020 O LYS A 69 -2.532 4.515 -5.048 1.00 0.00 O ATOM 1021 CB LYS A 69 -1.980 5.834 -8.229 1.00 0.00 C ATOM 1022 CG LYS A 69 -1.818 7.125 -9.012 1.00 0.00 C ATOM 1023 CD LYS A 69 -3.145 7.605 -9.575 1.00 0.00 C ATOM 1024 CE LYS A 69 -3.069 9.058 -10.019 1.00 0.00 C ATOM 1025 NZ LYS A 69 -4.421 9.668 -10.154 1.00 0.00 N ATOM 0 H LYS A 69 -1.093 6.770 -5.888 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.749 6.383 -7.137 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.993 5.426 -8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.496 5.104 -8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.397 7.894 -8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.110 6.971 -9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.430 6.979 -10.421 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.923 7.494 -8.820 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.484 9.628 -9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.546 9.119 -10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.326 10.658 -10.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.971 9.140 -10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.911 9.633 -9.237 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.405 3.668 -6.942 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.588 2.332 -6.389 1.00 0.00 C ATOM 1041 C GLN A 70 -2.244 1.639 -6.183 1.00 0.00 C ATOM 1042 O GLN A 70 -2.118 0.739 -5.352 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.472 1.491 -7.312 1.00 0.00 C ATOM 1044 CG GLN A 70 -4.887 0.159 -6.710 1.00 0.00 C ATOM 1045 CD GLN A 70 -5.745 -0.664 -7.650 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -5.103 -1.483 -8.475 1.00 0.00 O flip ATOM 1047 NE2 GLN A 70 -6.973 -0.566 -7.634 1.00 0.00 N flip ATOM 0 H GLN A 70 -3.704 3.768 -7.912 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.078 2.432 -5.420 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.366 2.061 -7.563 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.938 1.308 -8.245 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.995 -0.410 -6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.436 0.338 -5.786 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.425 0.076 -6.983 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.538 -1.127 -8.272 1.00 0.00 H new ATOM 1056 N THR A 71 -1.242 2.064 -6.946 1.00 0.00 N ATOM 1057 CA THR A 71 0.091 1.484 -6.849 1.00 0.00 C ATOM 1058 C THR A 71 1.082 2.479 -6.254 1.00 0.00 C ATOM 1059 O THR A 71 0.980 3.685 -6.484 1.00 0.00 O ATOM 1060 CB THR A 71 0.607 1.026 -8.226 1.00 0.00 C ATOM 1061 OG1 THR A 71 0.122 1.906 -9.247 1.00 0.00 O ATOM 1062 CG2 THR A 71 0.163 -0.398 -8.524 1.00 0.00 C ATOM 0 H THR A 71 -1.329 2.808 -7.638 1.00 0.00 H new ATOM 0 HA THR A 71 0.011 0.618 -6.193 1.00 0.00 H new ATOM 0 HB THR A 71 1.697 1.054 -8.210 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.455 1.610 -10.120 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.539 -0.699 -9.502 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.557 -1.069 -7.761 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.926 -0.447 -8.523 1.00 0.00 H new ATOM 1070 N LEU A 72 2.039 1.967 -5.488 1.00 0.00 N ATOM 1071 CA LEU A 72 3.050 2.811 -4.860 1.00 0.00 C ATOM 1072 C LEU A 72 4.454 2.328 -5.206 1.00 0.00 C ATOM 1073 O LEU A 72 4.809 1.180 -4.942 1.00 0.00 O ATOM 1074 CB LEU A 72 2.861 2.822 -3.342 1.00 0.00 C ATOM 1075 CG LEU A 72 3.923 3.574 -2.539 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.842 5.068 -2.814 1.00 0.00 C ATOM 1077 CD2 LEU A 72 3.765 3.294 -1.052 1.00 0.00 C ATOM 0 H LEU A 72 2.136 0.972 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 72 2.931 3.825 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.888 3.261 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.833 1.790 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 72 4.905 3.221 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.605 5.587 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.006 5.252 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.857 5.437 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.529 3.837 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.778 3.619 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.875 2.225 -0.869 1.00 0.00 H new ATOM 1089 N ASN A 73 5.251 3.214 -5.795 1.00 0.00 N ATOM 1090 CA ASN A 73 6.618 2.878 -6.176 1.00 0.00 C ATOM 1091 C ASN A 73 7.624 3.634 -5.313 1.00 0.00 C ATOM 1092 O ASN A 73 7.508 4.845 -5.121 1.00 0.00 O ATOM 1093 CB ASN A 73 6.853 3.201 -7.653 1.00 0.00 C ATOM 1094 CG ASN A 73 6.567 2.016 -8.556 1.00 0.00 C ATOM 1095 OD1 ASN A 73 5.312 1.583 -8.584 1.00 0.00 O flip ATOM 1096 ND2 ASN A 73 7.464 1.497 -9.220 1.00 0.00 N flip ATOM 0 H ASN A 73 4.974 4.170 -6.019 1.00 0.00 H new ATOM 0 HA ASN A 73 6.760 1.809 -6.018 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.219 4.038 -7.945 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.886 3.520 -7.793 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.415 1.863 -9.167 1.00 0.00 H new ATOM 0 HD22 ASN A 73 7.257 0.701 -9.823 1.00 0.00 H new ATOM 1103 N LEU A 74 8.611 2.912 -4.795 1.00 0.00 N ATOM 1104 CA LEU A 74 9.639 3.513 -3.952 1.00 0.00 C ATOM 1105 C LEU A 74 11.019 3.357 -4.582 1.00 0.00 C ATOM 1106 O LEU A 74 11.219 2.523 -5.465 1.00 0.00 O ATOM 1107 CB LEU A 74 9.625 2.875 -2.562 1.00 0.00 C ATOM 1108 CG LEU A 74 8.678 3.509 -1.542 1.00 0.00 C ATOM 1109 CD1 LEU A 74 7.245 3.066 -1.797 1.00 0.00 C ATOM 1110 CD2 LEU A 74 9.104 3.153 -0.126 1.00 0.00 C ATOM 0 H LEU A 74 8.722 1.909 -4.944 1.00 0.00 H new ATOM 0 HA LEU A 74 9.421 4.577 -3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.360 1.823 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.637 2.909 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 74 8.727 4.592 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.585 3.527 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.942 3.372 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.179 1.981 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.419 3.613 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.084 2.070 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.114 3.521 0.053 1.00 0.00 H new ATOM 1122 N SER A 75 11.970 4.163 -4.119 1.00 0.00 N ATOM 1123 CA SER A 75 13.332 4.116 -4.638 1.00 0.00 C ATOM 1124 C SER A 75 14.341 4.461 -3.548 1.00 0.00 C ATOM 1125 O SER A 75 13.966 4.768 -2.416 1.00 0.00 O ATOM 1126 CB SER A 75 13.485 5.081 -5.816 1.00 0.00 C ATOM 1127 OG SER A 75 13.085 6.392 -5.456 1.00 0.00 O ATOM 0 H SER A 75 11.822 4.856 -3.386 1.00 0.00 H new ATOM 0 HA SER A 75 13.529 3.101 -4.982 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.523 5.092 -6.148 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.885 4.732 -6.656 1.00 0.00 H new ATOM 0 HG SER A 75 13.194 6.990 -6.225 1.00 0.00 H new ATOM 1133 N GLN A 76 15.622 4.409 -3.898 1.00 0.00 N ATOM 1134 CA GLN A 76 16.686 4.715 -2.949 1.00 0.00 C ATOM 1135 C GLN A 76 16.346 4.185 -1.560 1.00 0.00 C ATOM 1136 O GLN A 76 16.672 4.809 -0.549 1.00 0.00 O ATOM 1137 CB GLN A 76 16.923 6.225 -2.887 1.00 0.00 C ATOM 1138 CG GLN A 76 17.344 6.830 -4.217 1.00 0.00 C ATOM 1139 CD GLN A 76 18.146 8.106 -4.050 1.00 0.00 C ATOM 1140 OE1 GLN A 76 17.686 9.064 -3.429 1.00 0.00 O ATOM 1141 NE2 GLN A 76 19.352 8.125 -4.606 1.00 0.00 N ATOM 0 H GLN A 76 15.948 4.158 -4.831 1.00 0.00 H new ATOM 0 HA GLN A 76 17.597 4.224 -3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 76 16.010 6.714 -2.548 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.692 6.433 -2.143 1.00 0.00 H new ATOM 0 HG2 GLN A 76 17.937 6.103 -4.771 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.456 7.039 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 76 19.693 7.308 -5.112 1.00 0.00 H new ATOM 0 HE22 GLN A 76 19.937 8.957 -4.527 1.00 0.00 H new ATOM 1150 N LEU A 77 15.689 3.032 -1.517 1.00 0.00 N ATOM 1151 CA LEU A 77 15.304 2.417 -0.251 1.00 0.00 C ATOM 1152 C LEU A 77 16.504 1.758 0.421 1.00 0.00 C ATOM 1153 O LEU A 77 17.213 0.962 -0.194 1.00 0.00 O ATOM 1154 CB LEU A 77 14.200 1.382 -0.479 1.00 0.00 C ATOM 1155 CG LEU A 77 12.792 1.939 -0.693 1.00 0.00 C ATOM 1156 CD1 LEU A 77 11.874 0.865 -1.256 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.233 2.491 0.611 1.00 0.00 C ATOM 0 H LEU A 77 15.411 2.503 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 77 14.928 3.201 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.467 0.781 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.177 0.710 0.379 1.00 0.00 H new ATOM 0 HG LEU A 77 12.850 2.754 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.876 1.279 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.265 0.516 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.821 0.029 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.230 2.883 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.189 1.695 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.878 3.291 0.974 1.00 0.00 H new ATOM 1169 N SER A 78 16.723 2.093 1.689 1.00 0.00 N ATOM 1170 CA SER A 78 17.838 1.535 2.445 1.00 0.00 C ATOM 1171 C SER A 78 17.468 0.178 3.037 1.00 0.00 C ATOM 1172 O SER A 78 16.377 -0.339 2.799 1.00 0.00 O ATOM 1173 CB SER A 78 18.256 2.494 3.561 1.00 0.00 C ATOM 1174 OG SER A 78 19.511 2.126 4.106 1.00 0.00 O ATOM 0 H SER A 78 16.143 2.748 2.214 1.00 0.00 H new ATOM 0 HA SER A 78 18.676 1.398 1.761 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.310 3.510 3.170 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.501 2.494 4.347 1.00 0.00 H new ATOM 0 HG SER A 78 19.757 2.755 4.816 1.00 0.00 H new ATOM 1180 N VAL A 79 18.386 -0.393 3.811 1.00 0.00 N ATOM 1181 CA VAL A 79 18.157 -1.688 4.439 1.00 0.00 C ATOM 1182 C VAL A 79 17.316 -1.546 5.703 1.00 0.00 C ATOM 1183 O VAL A 79 17.666 -0.796 6.613 1.00 0.00 O ATOM 1184 CB VAL A 79 19.485 -2.382 4.796 1.00 0.00 C ATOM 1185 CG1 VAL A 79 19.228 -3.657 5.583 1.00 0.00 C ATOM 1186 CG2 VAL A 79 20.288 -2.675 3.537 1.00 0.00 C ATOM 0 H VAL A 79 19.295 0.021 4.018 1.00 0.00 H new ATOM 0 HA VAL A 79 17.619 -2.299 3.714 1.00 0.00 H new ATOM 0 HB VAL A 79 20.069 -1.709 5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.178 -4.133 5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.698 -3.415 6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.624 -4.339 4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 79 21.223 -3.165 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.712 -3.329 2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 79 20.505 -1.741 3.018 1.00 0.00 H new ATOM 1196 N GLY A 80 16.203 -2.272 5.751 1.00 0.00 N ATOM 1197 CA GLY A 80 15.328 -2.212 6.908 1.00 0.00 C ATOM 1198 C GLY A 80 13.903 -2.609 6.578 1.00 0.00 C ATOM 1199 O GLY A 80 13.539 -2.730 5.407 1.00 0.00 O ATOM 0 H GLY A 80 15.892 -2.900 5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.714 -2.870 7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.335 -1.200 7.313 1.00 0.00 H new ATOM 1203 N LEU A 81 13.093 -2.813 7.611 1.00 0.00 N ATOM 1204 CA LEU A 81 11.699 -3.200 7.426 1.00 0.00 C ATOM 1205 C LEU A 81 10.802 -1.971 7.316 1.00 0.00 C ATOM 1206 O LEU A 81 10.779 -1.125 8.211 1.00 0.00 O ATOM 1207 CB LEU A 81 11.235 -4.082 8.587 1.00 0.00 C ATOM 1208 CG LEU A 81 9.822 -4.654 8.472 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.654 -5.404 7.160 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.518 -5.565 9.652 1.00 0.00 C ATOM 0 H LEU A 81 13.378 -2.717 8.586 1.00 0.00 H new ATOM 0 HA LEU A 81 11.625 -3.765 6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.934 -4.912 8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.296 -3.500 9.506 1.00 0.00 H new ATOM 0 HG LEU A 81 9.114 -3.826 8.486 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.642 -5.804 7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.828 -4.723 6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.371 -6.223 7.115 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.508 -5.963 9.554 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.232 -6.388 9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.595 -4.997 10.579 1.00 0.00 H new ATOM 1222 N TYR A 82 10.065 -1.880 6.215 1.00 0.00 N ATOM 1223 CA TYR A 82 9.166 -0.754 5.988 1.00 0.00 C ATOM 1224 C TYR A 82 7.736 -1.235 5.762 1.00 0.00 C ATOM 1225 O TYR A 82 7.476 -2.053 4.879 1.00 0.00 O ATOM 1226 CB TYR A 82 9.636 0.067 4.786 1.00 0.00 C ATOM 1227 CG TYR A 82 11.117 0.372 4.802 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.639 1.334 5.658 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.995 -0.303 3.963 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.991 1.616 5.676 1.00 0.00 C ATOM 1231 CE2 TYR A 82 13.349 -0.029 3.975 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.842 0.932 4.833 1.00 0.00 C ATOM 1233 OH TYR A 82 15.190 1.210 4.849 1.00 0.00 O ATOM 0 H TYR A 82 10.072 -2.572 5.466 1.00 0.00 H new ATOM 0 HA TYR A 82 9.182 -0.125 6.878 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.395 -0.474 3.871 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.081 1.005 4.758 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.976 1.870 6.321 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.612 -1.055 3.289 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.380 2.368 6.347 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.017 -0.564 3.317 1.00 0.00 H new ATOM 0 HH TYR A 82 15.327 2.174 4.736 1.00 0.00 H new ATOM 1243 N VAL A 83 6.812 -0.720 6.567 1.00 0.00 N ATOM 1244 CA VAL A 83 5.407 -1.095 6.455 1.00 0.00 C ATOM 1245 C VAL A 83 4.579 0.045 5.871 1.00 0.00 C ATOM 1246 O VAL A 83 4.588 1.162 6.388 1.00 0.00 O ATOM 1247 CB VAL A 83 4.821 -1.491 7.823 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.432 -2.088 7.657 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.747 -2.465 8.537 1.00 0.00 C ATOM 0 H VAL A 83 7.011 -0.043 7.303 1.00 0.00 H new ATOM 0 HA VAL A 83 5.361 -1.954 5.786 1.00 0.00 H new ATOM 0 HB VAL A 83 4.733 -0.593 8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.034 -2.362 8.634 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.774 -1.355 7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.490 -2.976 7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.318 -2.734 9.502 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.868 -3.363 7.931 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.719 -1.997 8.691 1.00 0.00 H new ATOM 1259 N PHE A 84 3.864 -0.245 4.789 1.00 0.00 N ATOM 1260 CA PHE A 84 3.030 0.755 4.133 1.00 0.00 C ATOM 1261 C PHE A 84 1.550 0.442 4.328 1.00 0.00 C ATOM 1262 O PHE A 84 1.075 -0.631 3.955 1.00 0.00 O ATOM 1263 CB PHE A 84 3.356 0.822 2.640 1.00 0.00 C ATOM 1264 CG PHE A 84 4.829 0.822 2.347 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.593 1.957 2.567 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.451 -0.313 1.853 1.00 0.00 C ATOM 1267 CE1 PHE A 84 6.948 1.960 2.298 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.806 -0.316 1.582 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.556 0.822 1.806 1.00 0.00 C ATOM 0 H PHE A 84 3.845 -1.165 4.348 1.00 0.00 H new ATOM 0 HA PHE A 84 3.242 1.723 4.588 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.894 -0.027 2.137 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.910 1.723 2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.124 2.850 2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.870 -1.206 1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.531 2.852 2.472 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.278 -1.207 1.195 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.616 0.822 1.597 1.00 0.00 H new ATOM 1279 N LYS A 85 0.824 1.387 4.917 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.603 1.215 5.163 1.00 0.00 C ATOM 1281 C LYS A 85 -1.429 1.971 4.128 1.00 0.00 C ATOM 1282 O LYS A 85 -1.348 3.196 4.030 1.00 0.00 O ATOM 1283 CB LYS A 85 -0.961 1.699 6.570 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.436 2.019 6.746 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.663 2.989 7.893 1.00 0.00 C ATOM 1286 CE LYS A 85 -2.992 2.256 9.185 1.00 0.00 C ATOM 1287 NZ LYS A 85 -4.459 2.075 9.362 1.00 0.00 N ATOM 0 H LYS A 85 1.201 2.281 5.233 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.835 0.153 5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.675 0.934 7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.375 2.589 6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.829 2.446 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.989 1.098 6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.772 3.600 8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.477 3.668 7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.503 1.282 9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.590 2.813 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.642 1.572 10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.923 3.005 9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.839 1.521 8.568 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.223 1.235 3.357 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.065 1.837 2.331 1.00 0.00 C ATOM 1303 C VAL A 86 -4.488 2.042 2.839 1.00 0.00 C ATOM 1304 O VAL A 86 -5.325 1.142 2.757 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.106 0.970 1.059 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.258 -0.500 1.418 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.233 1.422 0.142 1.00 0.00 C ATOM 0 H VAL A 86 -2.301 0.220 3.424 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.626 2.805 2.088 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.163 1.093 0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.285 -1.096 0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.414 -0.814 2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.184 -0.645 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.247 0.798 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.186 1.330 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.075 2.462 -0.144 1.00 0.00 H new ATOM 1317 N THR A 87 -4.757 3.233 3.363 1.00 0.00 N ATOM 1318 CA THR A 87 -6.079 3.558 3.885 1.00 0.00 C ATOM 1319 C THR A 87 -7.036 3.937 2.761 1.00 0.00 C ATOM 1320 O THR A 87 -6.893 4.989 2.138 1.00 0.00 O ATOM 1321 CB THR A 87 -6.014 4.714 4.900 1.00 0.00 C ATOM 1322 OG1 THR A 87 -4.708 4.781 5.484 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.055 4.533 5.995 1.00 0.00 C ATOM 0 H THR A 87 -4.077 3.989 3.437 1.00 0.00 H new ATOM 0 HA THR A 87 -6.449 2.664 4.387 1.00 0.00 H new ATOM 0 HB THR A 87 -6.224 5.644 4.371 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.675 5.520 6.127 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.990 5.362 6.700 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.050 4.512 5.551 1.00 0.00 H new ATOM 0 HG23 THR A 87 -6.872 3.595 6.520 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.015 3.073 2.506 1.00 0.00 N ATOM 1332 CA VAL A 88 -8.997 3.319 1.458 1.00 0.00 C ATOM 1333 C VAL A 88 -10.411 3.354 2.027 1.00 0.00 C ATOM 1334 O VAL A 88 -10.950 2.329 2.442 1.00 0.00 O ATOM 1335 CB VAL A 88 -8.925 2.243 0.358 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -10.099 2.379 -0.600 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.604 2.333 -0.390 1.00 0.00 C ATOM 0 H VAL A 88 -8.148 2.197 3.011 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.759 4.290 1.023 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.983 1.262 0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.031 1.611 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.033 2.260 -0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.075 3.364 -1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.571 1.565 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.513 3.317 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.780 2.182 0.307 1.00 0.00 H new ATOM 1347 N SER A 89 -11.007 4.542 2.043 1.00 0.00 N ATOM 1348 CA SER A 89 -12.358 4.713 2.565 1.00 0.00 C ATOM 1349 C SER A 89 -13.214 5.529 1.601 1.00 0.00 C ATOM 1350 O SER A 89 -12.694 6.210 0.716 1.00 0.00 O ATOM 1351 CB SER A 89 -12.317 5.398 3.933 1.00 0.00 C ATOM 1352 OG SER A 89 -13.483 6.173 4.150 1.00 0.00 O ATOM 0 H SER A 89 -10.576 5.400 1.700 1.00 0.00 H new ATOM 0 HA SER A 89 -12.806 3.725 2.674 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.225 4.646 4.717 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.435 6.036 3.998 1.00 0.00 H new ATOM 0 HG SER A 89 -14.258 5.580 4.240 1.00 0.00 H new ATOM 1358 N SER A 90 -14.529 5.454 1.779 1.00 0.00 N ATOM 1359 CA SER A 90 -15.458 6.182 0.923 1.00 0.00 C ATOM 1360 C SER A 90 -16.503 6.918 1.757 1.00 0.00 C ATOM 1361 O SER A 90 -16.525 6.805 2.982 1.00 0.00 O ATOM 1362 CB SER A 90 -16.149 5.223 -0.049 1.00 0.00 C ATOM 1363 OG SER A 90 -17.274 4.608 0.555 1.00 0.00 O ATOM 0 H SER A 90 -14.975 4.897 2.508 1.00 0.00 H new ATOM 0 HA SER A 90 -14.888 6.917 0.354 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.463 5.767 -0.940 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.443 4.458 -0.374 1.00 0.00 H new ATOM 0 HG SER A 90 -17.699 4.001 -0.087 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.366 7.672 1.083 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.412 8.427 1.762 1.00 0.00 C ATOM 1371 C GLU A 91 -19.284 7.506 2.611 1.00 0.00 C ATOM 1372 O GLU A 91 -19.833 7.920 3.631 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.278 9.170 0.743 1.00 0.00 C ATOM 1374 CG GLU A 91 -19.766 8.292 -0.397 1.00 0.00 C ATOM 1375 CD GLU A 91 -18.766 8.202 -1.533 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -18.177 9.244 -1.890 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -18.572 7.089 -2.065 1.00 0.00 O ATOM 0 H GLU A 91 -17.361 7.776 0.068 1.00 0.00 H new ATOM 0 HA GLU A 91 -17.933 9.153 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.140 9.598 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.706 10.002 0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.970 7.291 -0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.708 8.687 -0.777 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.407 6.254 2.180 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.212 5.274 2.899 1.00 0.00 C ATOM 1386 C ASN A 92 -19.467 3.950 3.033 1.00 0.00 C ATOM 1387 O ASN A 92 -20.075 2.880 3.020 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.545 5.052 2.180 1.00 0.00 C ATOM 1389 CG ASN A 92 -21.381 4.960 0.676 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -21.879 5.806 -0.067 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -20.681 3.927 0.219 1.00 0.00 N ATOM 0 H ASN A 92 -18.959 5.895 1.337 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.406 5.663 3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -22.006 4.136 2.549 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.225 5.870 2.419 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -20.538 3.811 -0.784 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -20.286 3.250 0.872 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.147 4.031 3.162 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.318 2.840 3.301 1.00 0.00 C ATOM 1400 C ALA A 93 -16.035 3.149 4.063 1.00 0.00 C ATOM 1401 O ALA A 93 -15.741 4.308 4.360 1.00 0.00 O ATOM 1402 CB ALA A 93 -16.995 2.259 1.932 1.00 0.00 C ATOM 0 H ALA A 93 -17.628 4.909 3.173 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.880 2.102 3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.375 1.370 2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -17.921 1.991 1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.457 3.000 1.340 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.273 2.107 4.379 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.021 2.268 5.108 1.00 0.00 C ATOM 1410 C PHE A 94 -13.192 0.988 5.055 1.00 0.00 C ATOM 1411 O PHE A 94 -13.661 -0.084 5.435 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.300 2.649 6.564 1.00 0.00 C ATOM 1413 CG PHE A 94 -13.097 2.527 7.456 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -11.834 2.847 6.986 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -13.231 2.093 8.765 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -10.726 2.737 7.804 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -12.126 1.981 9.588 1.00 0.00 C ATOM 1418 CZ PHE A 94 -10.872 2.302 9.107 1.00 0.00 C ATOM 0 H PHE A 94 -15.501 1.142 4.141 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.453 3.067 4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.666 3.675 6.599 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.096 2.013 6.952 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.714 3.187 5.968 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -14.209 1.840 9.146 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.747 2.991 7.425 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.243 1.643 10.607 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.007 2.213 9.748 1.00 0.00 H new ATOM 1428 N GLY A 95 -11.956 1.110 4.580 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.081 -0.044 4.485 1.00 0.00 C ATOM 1430 C GLY A 95 -9.614 0.336 4.520 1.00 0.00 C ATOM 1431 O GLY A 95 -9.261 1.493 4.296 1.00 0.00 O ATOM 0 H GLY A 95 -11.545 1.987 4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.296 -0.727 5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.292 -0.581 3.560 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.758 -0.641 4.804 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.321 -0.400 4.869 1.00 0.00 C ATOM 1437 C GLU A 96 -6.549 -1.717 4.880 1.00 0.00 C ATOM 1438 O GLU A 96 -7.104 -2.772 5.185 1.00 0.00 O ATOM 1439 CB GLU A 96 -6.974 0.417 6.116 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.800 0.046 7.336 1.00 0.00 C ATOM 1441 CD GLU A 96 -7.204 -1.111 8.114 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -6.911 -2.155 7.495 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -7.029 -0.971 9.343 1.00 0.00 O ATOM 0 H GLU A 96 -9.034 -1.605 4.992 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.032 0.164 3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.918 0.280 6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.118 1.475 5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.885 0.914 7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.810 -0.215 7.021 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.264 -1.646 4.545 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.437 -2.838 4.522 1.00 0.00 C ATOM 1452 C GLY A 97 -3.053 -2.595 5.091 1.00 0.00 C ATOM 1453 O GLY A 97 -2.706 -1.465 5.435 1.00 0.00 O ATOM 0 H GLY A 97 -4.781 -0.784 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.927 -3.627 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.347 -3.194 3.496 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.261 -3.657 5.192 1.00 0.00 N ATOM 1458 CA PHE A 98 -0.908 -3.554 5.725 1.00 0.00 C ATOM 1459 C PHE A 98 0.058 -4.427 4.930 1.00 0.00 C ATOM 1460 O PHE A 98 -0.189 -5.615 4.721 1.00 0.00 O ATOM 1461 CB PHE A 98 -0.886 -3.962 7.200 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.090 -2.811 8.143 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -2.288 -2.115 8.159 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -0.085 -2.426 9.015 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -2.478 -1.055 9.025 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -0.269 -1.367 9.885 1.00 0.00 C ATOM 1467 CZ PHE A 98 -1.468 -0.682 9.890 1.00 0.00 C ATOM 0 H PHE A 98 -2.533 -4.599 4.912 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.588 -2.516 5.637 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.663 -4.706 7.374 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.068 -4.439 7.423 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.082 -2.404 7.487 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.854 -2.960 9.015 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.415 -0.519 9.025 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.523 -1.076 10.559 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.616 0.144 10.569 1.00 0.00 H new ATOM 1477 N VAL A 99 1.160 -3.828 4.488 1.00 0.00 N ATOM 1478 CA VAL A 99 2.165 -4.550 3.716 1.00 0.00 C ATOM 1479 C VAL A 99 3.573 -4.112 4.102 1.00 0.00 C ATOM 1480 O VAL A 99 3.887 -2.923 4.099 1.00 0.00 O ATOM 1481 CB VAL A 99 1.969 -4.338 2.203 1.00 0.00 C ATOM 1482 CG1 VAL A 99 1.828 -2.857 1.885 1.00 0.00 C ATOM 1483 CG2 VAL A 99 3.124 -4.951 1.426 1.00 0.00 C ATOM 0 H VAL A 99 1.379 -2.845 4.651 1.00 0.00 H new ATOM 0 HA VAL A 99 2.041 -5.608 3.946 1.00 0.00 H new ATOM 0 HB VAL A 99 1.050 -4.839 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.690 -2.727 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.965 -2.452 2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.728 -2.330 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.969 -4.792 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.058 -4.480 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.173 -6.021 1.630 1.00 0.00 H new ATOM 1493 N ASN A 100 4.419 -5.083 4.433 1.00 0.00 N ATOM 1494 CA ASN A 100 5.795 -4.798 4.821 1.00 0.00 C ATOM 1495 C ASN A 100 6.762 -5.144 3.693 1.00 0.00 C ATOM 1496 O ASN A 100 6.490 -6.024 2.876 1.00 0.00 O ATOM 1497 CB ASN A 100 6.164 -5.582 6.082 1.00 0.00 C ATOM 1498 CG ASN A 100 5.441 -6.912 6.168 1.00 0.00 C ATOM 1499 OD1 ASN A 100 5.090 -7.507 5.149 1.00 0.00 O ATOM 1500 ND2 ASN A 100 5.214 -7.385 7.388 1.00 0.00 N ATOM 0 H ASN A 100 4.175 -6.073 4.440 1.00 0.00 H new ATOM 0 HA ASN A 100 5.874 -3.731 5.028 1.00 0.00 H new ATOM 0 HB2 ASN A 100 7.240 -5.755 6.097 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.925 -4.984 6.961 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.731 -8.275 7.508 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.523 -6.858 8.205 1.00 0.00 H new ATOM 1507 N VAL A 101 7.892 -4.445 3.654 1.00 0.00 N ATOM 1508 CA VAL A 101 8.900 -4.679 2.627 1.00 0.00 C ATOM 1509 C VAL A 101 10.305 -4.641 3.218 1.00 0.00 C ATOM 1510 O VAL A 101 10.700 -3.660 3.848 1.00 0.00 O ATOM 1511 CB VAL A 101 8.802 -3.637 1.497 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.974 -3.778 0.537 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.479 -3.774 0.760 1.00 0.00 C ATOM 0 H VAL A 101 8.132 -3.712 4.322 1.00 0.00 H new ATOM 0 HA VAL A 101 8.709 -5.670 2.215 1.00 0.00 H new ATOM 0 HB VAL A 101 8.844 -2.642 1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.888 -3.034 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.908 -3.626 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.967 -4.776 0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.427 -3.030 -0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.405 -4.772 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.656 -3.618 1.458 1.00 0.00 H new ATOM 1523 N THR A 102 11.058 -5.717 3.009 1.00 0.00 N ATOM 1524 CA THR A 102 12.419 -5.808 3.522 1.00 0.00 C ATOM 1525 C THR A 102 13.439 -5.507 2.429 1.00 0.00 C ATOM 1526 O THR A 102 13.277 -5.924 1.282 1.00 0.00 O ATOM 1527 CB THR A 102 12.707 -7.204 4.106 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.678 -7.569 5.032 1.00 0.00 O ATOM 1529 CG2 THR A 102 14.058 -7.229 4.806 1.00 0.00 C ATOM 0 H THR A 102 10.748 -6.537 2.488 1.00 0.00 H new ATOM 0 HA THR A 102 12.509 -5.065 4.315 1.00 0.00 H new ATOM 0 HB THR A 102 12.727 -7.920 3.285 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.867 -8.458 5.398 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.240 -8.225 5.210 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.842 -6.979 4.092 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.061 -6.502 5.618 1.00 0.00 H new ATOM 1537 N VAL A 103 14.491 -4.780 2.792 1.00 0.00 N ATOM 1538 CA VAL A 103 15.539 -4.424 1.843 1.00 0.00 C ATOM 1539 C VAL A 103 16.882 -5.014 2.260 1.00 0.00 C ATOM 1540 O VAL A 103 17.625 -4.409 3.034 1.00 0.00 O ATOM 1541 CB VAL A 103 15.681 -2.896 1.710 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.848 -2.545 0.800 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.387 -2.285 1.192 1.00 0.00 C ATOM 0 H VAL A 103 14.640 -4.426 3.737 1.00 0.00 H new ATOM 0 HA VAL A 103 15.247 -4.839 0.879 1.00 0.00 H new ATOM 0 HB VAL A 103 15.884 -2.480 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.932 -1.461 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.770 -2.950 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.679 -2.971 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.504 -1.205 1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.152 -2.705 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.577 -2.506 1.886 1.00 0.00 H new ATOM 1553 N LYS A 104 17.188 -6.198 1.742 1.00 0.00 N ATOM 1554 CA LYS A 104 18.442 -6.871 2.058 1.00 0.00 C ATOM 1555 C LYS A 104 19.631 -6.100 1.493 1.00 0.00 C ATOM 1556 O LYS A 104 19.529 -5.414 0.475 1.00 0.00 O ATOM 1557 CB LYS A 104 18.435 -8.297 1.502 1.00 0.00 C ATOM 1558 CG LYS A 104 17.221 -9.107 1.923 1.00 0.00 C ATOM 1559 CD LYS A 104 17.381 -9.663 3.328 1.00 0.00 C ATOM 1560 CE LYS A 104 16.335 -10.726 3.629 1.00 0.00 C ATOM 1561 NZ LYS A 104 16.755 -12.070 3.145 1.00 0.00 N ATOM 0 H LYS A 104 16.584 -6.712 1.101 1.00 0.00 H new ATOM 0 HA LYS A 104 18.539 -6.911 3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.473 -8.254 0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.337 -8.812 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.331 -8.480 1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.069 -9.927 1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.378 -10.090 3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.297 -8.853 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.157 -10.766 4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.391 -10.450 3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.016 -12.766 3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.900 -12.038 2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.643 -12.345 3.612 1.00 0.00 H new ATOM 1575 N PRO A 105 20.785 -6.213 2.166 1.00 0.00 N ATOM 1576 CA PRO A 105 22.016 -5.535 1.747 1.00 0.00 C ATOM 1577 C PRO A 105 22.593 -6.122 0.464 1.00 0.00 C ATOM 1578 O PRO A 105 22.355 -7.285 0.140 1.00 0.00 O ATOM 1579 CB PRO A 105 22.970 -5.774 2.920 1.00 0.00 C ATOM 1580 CG PRO A 105 22.472 -7.022 3.565 1.00 0.00 C ATOM 1581 CD PRO A 105 20.979 -7.013 3.387 1.00 0.00 C ATOM 0 HA PRO A 105 21.846 -4.481 1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.998 -5.889 2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.958 -4.936 3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.915 -7.904 3.102 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.739 -7.048 4.621 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.582 -8.022 3.274 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.475 -6.566 4.244 1.00 0.00 H new ATOM 1589 N ALA A 106 23.352 -5.309 -0.264 1.00 0.00 N ATOM 1590 CA ALA A 106 23.965 -5.749 -1.511 1.00 0.00 C ATOM 1591 C ALA A 106 25.128 -6.700 -1.246 1.00 0.00 C ATOM 1592 O ALA A 106 26.141 -6.310 -0.666 1.00 0.00 O ATOM 1593 CB ALA A 106 24.436 -4.549 -2.319 1.00 0.00 C ATOM 0 H ALA A 106 23.557 -4.342 -0.011 1.00 0.00 H new ATOM 0 HA ALA A 106 23.213 -6.289 -2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 106 24.892 -4.892 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 106 23.585 -3.908 -2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.169 -3.986 -1.741 1.00 0.00 H new