USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 970 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 89 TYR OH : rot 54:sc= -0.598! USER MOD Set 1.2: A 99 TYR OH : rot -162:sc= 0.603 USER MOD Single : A 10 ASN :FLIP amide:sc= -0.165 F(o=-1.1,f=-0.17) USER MOD Single : A 12 TYR OH : rot -155:sc= 0.326 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0821 USER MOD Single : A 17 ASN : amide:sc= 0.121 K(o=0.12,f=-0.92) USER MOD Single : A 19 ASN : amide:sc= -2! C(o=-2!,f=-1.6!) USER MOD Single : A 23 THR OG1 : rot -89:sc= 1.59 USER MOD Single : A 29 THR OG1 : rot 67:sc= 1.27 USER MOD Single : A 32 SER OG : rot 62:sc= 1.29 USER MOD Single : A 34 TYR OH : rot 30:sc= -0.148 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 160:sc= 0.409 USER MOD Single : A 52 GLN : amide:sc= 0.526 K(o=0.53,f=-9.1!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= 1.11 (180deg=1.04) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 64 SER OG : rot 123:sc= 0.477 USER MOD Single : A 65 THR OG1 : rot -146:sc= 1.32 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 73 ASN : amide:sc= -2.3! C(o=-2.3!,f=-6.2!) USER MOD Single : A 76 LYS NZ :NH3+ 172:sc=-0.00839 (180deg=-0.0887) USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= 1.62 (180deg=1.45) USER MOD Single : A 86 HIS : no HE2:sc= 0.388 K(o=0.39,f=-2.8!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 159:sc= -0.0666 (180deg=-0.533) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.0675 F(o=-1.1!,f=-0.068) USER MOD Single : A 97 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.17) USER MOD Single : A 98 TYR OH : rot 91:sc= 1.25 USER MOD Single : A 103 LYS NZ :NH3+ 174:sc= 0.475 (180deg=0.452) USER MOD Single : B 209 MET CE :methyl 167:sc= 0 (180deg=-0.0809) USER MOD Single : B 213 SER OG : rot -55:sc= 1.28 USER MOD Single : B 215 SER OG : rot -83:sc= 1.18 USER MOD Single : C 317 SER OG : rot 123:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 128 N ASN A 10 4.710 3.831 -6.896 1.00 0.00 N ATOM 129 CA ASN A 10 5.627 4.935 -6.878 1.00 0.00 C ATOM 130 C ASN A 10 4.951 6.169 -6.327 1.00 0.00 C ATOM 131 O ASN A 10 4.286 6.909 -7.058 1.00 0.00 O ATOM 132 CB ASN A 10 6.185 5.200 -8.297 1.00 0.00 C ATOM 133 CG ASN A 10 7.054 4.059 -8.831 1.00 0.00 C ATOM 134 OD1 ASN A 10 7.969 4.372 -9.699 1.00 0.00 O flip ATOM 135 ND2 ASN A 10 6.880 2.899 -8.473 1.00 0.00 N flip ATOM 0 HA ASN A 10 6.464 4.683 -6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.353 5.364 -8.982 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.772 6.118 -8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.155 2.679 -7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.460 2.154 -8.858 1.00 0.00 H new ATOM 142 N ALA A 11 5.068 6.343 -5.020 1.00 0.00 N ATOM 143 CA ALA A 11 4.484 7.482 -4.323 1.00 0.00 C ATOM 144 C ALA A 11 5.357 8.721 -4.479 1.00 0.00 C ATOM 145 O ALA A 11 4.912 9.844 -4.241 1.00 0.00 O ATOM 146 CB ALA A 11 4.281 7.154 -2.849 1.00 0.00 C ATOM 0 H ALA A 11 5.571 5.698 -4.410 1.00 0.00 H new ATOM 0 HA ALA A 11 3.513 7.694 -4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.844 8.014 -2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.611 6.299 -2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.242 6.914 -2.394 1.00 0.00 H new ATOM 152 N TYR A 12 6.597 8.505 -4.877 1.00 0.00 N ATOM 153 CA TYR A 12 7.518 9.588 -5.109 1.00 0.00 C ATOM 154 C TYR A 12 7.410 10.068 -6.532 1.00 0.00 C ATOM 155 O TYR A 12 7.084 9.302 -7.452 1.00 0.00 O ATOM 156 CB TYR A 12 8.979 9.199 -4.788 1.00 0.00 C ATOM 157 CG TYR A 12 9.334 9.174 -3.312 1.00 0.00 C ATOM 158 CD1 TYR A 12 9.043 8.079 -2.513 1.00 0.00 C ATOM 159 CD2 TYR A 12 9.982 10.260 -2.724 1.00 0.00 C ATOM 160 CE1 TYR A 12 9.381 8.064 -1.170 1.00 0.00 C ATOM 161 CE2 TYR A 12 10.324 10.254 -1.383 1.00 0.00 C ATOM 162 CZ TYR A 12 10.020 9.158 -0.608 1.00 0.00 C ATOM 163 OH TYR A 12 10.359 9.146 0.741 1.00 0.00 O ATOM 0 H TYR A 12 6.987 7.578 -5.046 1.00 0.00 H new ATOM 0 HA TYR A 12 7.242 10.395 -4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 12 9.176 8.213 -5.209 1.00 0.00 H new ATOM 0 HB3 TYR A 12 9.644 9.900 -5.293 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.545 7.224 -2.945 1.00 0.00 H new ATOM 0 HD2 TYR A 12 10.222 11.123 -3.327 1.00 0.00 H new ATOM 0 HE1 TYR A 12 9.147 7.202 -0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.827 11.105 -0.947 1.00 0.00 H new ATOM 0 HH TYR A 12 10.421 10.067 1.071 1.00 0.00 H new ATOM 173 N ILE A 13 7.643 11.313 -6.710 1.00 0.00 N ATOM 174 CA ILE A 13 7.622 11.900 -7.993 1.00 0.00 C ATOM 175 C ILE A 13 8.999 12.360 -8.372 1.00 0.00 C ATOM 176 O ILE A 13 9.791 12.808 -7.519 1.00 0.00 O ATOM 177 CB ILE A 13 6.619 13.075 -8.101 1.00 0.00 C ATOM 178 CG1 ILE A 13 6.944 14.180 -7.085 1.00 0.00 C ATOM 179 CG2 ILE A 13 5.202 12.570 -7.923 1.00 0.00 C ATOM 180 CD1 ILE A 13 5.992 15.345 -7.108 1.00 0.00 C ATOM 0 H ILE A 13 7.857 11.964 -5.955 1.00 0.00 H new ATOM 0 HA ILE A 13 7.285 11.131 -8.688 1.00 0.00 H new ATOM 0 HB ILE A 13 6.708 13.512 -9.096 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.946 13.748 -6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.953 14.547 -7.276 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.506 13.405 -8.001 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.977 11.837 -8.697 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.102 12.105 -6.942 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.295 16.078 -6.360 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.006 15.807 -8.095 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.984 14.995 -6.885 1.00 0.00 H new ATOM 192 N TYR A 14 9.283 12.199 -9.616 1.00 0.00 N ATOM 193 CA TYR A 14 10.501 12.614 -10.221 1.00 0.00 C ATOM 194 C TYR A 14 10.314 14.007 -10.706 1.00 0.00 C ATOM 195 O TYR A 14 9.397 14.272 -11.473 1.00 0.00 O ATOM 196 CB TYR A 14 10.836 11.672 -11.395 1.00 0.00 C ATOM 197 CG TYR A 14 11.823 12.204 -12.425 1.00 0.00 C ATOM 198 CD1 TYR A 14 13.198 12.150 -12.223 1.00 0.00 C ATOM 199 CD2 TYR A 14 11.358 12.739 -13.625 1.00 0.00 C ATOM 200 CE1 TYR A 14 14.069 12.610 -13.191 1.00 0.00 C ATOM 201 CE2 TYR A 14 12.217 13.207 -14.584 1.00 0.00 C ATOM 202 CZ TYR A 14 13.573 13.139 -14.367 1.00 0.00 C ATOM 203 OH TYR A 14 14.444 13.586 -15.333 1.00 0.00 O ATOM 0 H TYR A 14 8.642 11.753 -10.272 1.00 0.00 H new ATOM 0 HA TYR A 14 11.325 12.577 -9.508 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.235 10.744 -10.986 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.908 11.421 -11.908 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.588 11.745 -11.301 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.294 12.786 -13.803 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.135 12.556 -13.029 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.833 13.626 -15.502 1.00 0.00 H new ATOM 0 HH TYR A 14 13.936 13.927 -16.099 1.00 0.00 H new ATOM 213 N ILE A 15 11.113 14.890 -10.227 1.00 0.00 N ATOM 214 CA ILE A 15 11.078 16.233 -10.677 1.00 0.00 C ATOM 215 C ILE A 15 12.398 16.474 -11.373 1.00 0.00 C ATOM 216 O ILE A 15 13.464 16.408 -10.750 1.00 0.00 O ATOM 217 CB ILE A 15 10.913 17.242 -9.513 1.00 0.00 C ATOM 218 CG1 ILE A 15 9.842 16.750 -8.526 1.00 0.00 C ATOM 219 CG2 ILE A 15 10.491 18.605 -10.080 1.00 0.00 C ATOM 220 CD1 ILE A 15 9.723 17.593 -7.277 1.00 0.00 C ATOM 0 H ILE A 15 11.812 14.701 -9.509 1.00 0.00 H new ATOM 0 HA ILE A 15 10.222 16.381 -11.335 1.00 0.00 H new ATOM 0 HB ILE A 15 11.863 17.334 -8.987 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.877 16.731 -9.033 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.071 15.724 -8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.374 19.318 -9.264 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.255 18.965 -10.769 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.544 18.501 -10.610 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.947 17.181 -6.632 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.675 17.592 -6.745 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.462 18.615 -7.551 1.00 0.00 H new ATOM 232 N GLY A 16 12.339 16.686 -12.637 1.00 0.00 N ATOM 233 CA GLY A 16 13.520 16.883 -13.400 1.00 0.00 C ATOM 234 C GLY A 16 13.478 18.176 -14.139 1.00 0.00 C ATOM 235 O GLY A 16 12.439 18.860 -14.140 1.00 0.00 O ATOM 0 H GLY A 16 11.472 16.728 -13.173 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.388 16.866 -12.741 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.640 16.062 -14.106 1.00 0.00 H new ATOM 239 N ASN A 17 14.599 18.507 -14.755 1.00 0.00 N ATOM 240 CA ASN A 17 14.784 19.720 -15.553 1.00 0.00 C ATOM 241 C ASN A 17 14.662 20.957 -14.669 1.00 0.00 C ATOM 242 O ASN A 17 14.034 21.951 -15.031 1.00 0.00 O ATOM 243 CB ASN A 17 13.786 19.795 -16.722 1.00 0.00 C ATOM 244 CG ASN A 17 14.184 20.827 -17.773 1.00 0.00 C ATOM 245 OD1 ASN A 17 15.368 21.039 -18.053 1.00 0.00 O ATOM 246 ND2 ASN A 17 13.228 21.501 -18.313 1.00 0.00 N ATOM 0 H ASN A 17 15.436 17.925 -14.716 1.00 0.00 H new ATOM 0 HA ASN A 17 15.786 19.684 -15.981 1.00 0.00 H new ATOM 0 HB2 ASN A 17 13.710 18.815 -17.192 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.797 20.040 -16.335 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.440 22.232 -18.992 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.259 21.303 -18.062 1.00 0.00 H new ATOM 253 N LEU A 18 15.254 20.896 -13.502 1.00 0.00 N ATOM 254 CA LEU A 18 15.276 22.049 -12.641 1.00 0.00 C ATOM 255 C LEU A 18 16.441 22.901 -13.016 1.00 0.00 C ATOM 256 O LEU A 18 17.381 22.439 -13.662 1.00 0.00 O ATOM 257 CB LEU A 18 15.355 21.717 -11.143 1.00 0.00 C ATOM 258 CG LEU A 18 14.119 21.131 -10.469 1.00 0.00 C ATOM 259 CD1 LEU A 18 13.831 19.736 -10.944 1.00 0.00 C ATOM 260 CD2 LEU A 18 14.288 21.151 -8.976 1.00 0.00 C ATOM 0 H LEU A 18 15.722 20.069 -13.131 1.00 0.00 H new ATOM 0 HA LEU A 18 14.328 22.566 -12.786 1.00 0.00 H new ATOM 0 HB2 LEU A 18 16.176 21.015 -11.000 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.621 22.631 -10.613 1.00 0.00 H new ATOM 0 HG LEU A 18 13.266 21.751 -10.744 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.943 19.356 -10.439 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.660 19.746 -12.020 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.681 19.092 -10.718 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.400 20.731 -8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.161 20.559 -8.701 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.426 22.178 -8.639 1.00 0.00 H new ATOM 272 N ASN A 19 16.387 24.119 -12.634 1.00 0.00 N ATOM 273 CA ASN A 19 17.422 25.049 -12.935 1.00 0.00 C ATOM 274 C ASN A 19 18.345 25.056 -11.724 1.00 0.00 C ATOM 275 O ASN A 19 17.885 24.767 -10.618 1.00 0.00 O ATOM 276 CB ASN A 19 16.782 26.412 -13.228 1.00 0.00 C ATOM 277 CG ASN A 19 17.667 27.354 -14.009 1.00 0.00 C ATOM 278 OD1 ASN A 19 18.560 26.932 -14.743 1.00 0.00 O ATOM 279 ND2 ASN A 19 17.370 28.616 -13.929 1.00 0.00 N ATOM 0 H ASN A 19 15.615 24.511 -12.095 1.00 0.00 H new ATOM 0 HA ASN A 19 18.005 24.789 -13.819 1.00 0.00 H new ATOM 0 HB2 ASN A 19 15.857 26.255 -13.783 1.00 0.00 H new ATOM 0 HB3 ASN A 19 16.511 26.884 -12.284 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.884 29.297 -14.487 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.622 28.926 -13.308 1.00 0.00 H new ATOM 286 N ARG A 20 19.609 25.359 -11.929 1.00 0.00 N ATOM 287 CA ARG A 20 20.677 25.199 -10.908 1.00 0.00 C ATOM 288 C ARG A 20 20.341 25.864 -9.548 1.00 0.00 C ATOM 289 O ARG A 20 20.676 25.331 -8.491 1.00 0.00 O ATOM 290 CB ARG A 20 21.975 25.784 -11.455 1.00 0.00 C ATOM 291 CG ARG A 20 23.245 25.411 -10.696 1.00 0.00 C ATOM 292 CD ARG A 20 23.641 23.962 -10.922 1.00 0.00 C ATOM 293 NE ARG A 20 25.054 23.739 -10.591 1.00 0.00 N ATOM 294 CZ ARG A 20 25.617 22.583 -10.227 1.00 0.00 C ATOM 295 NH1 ARG A 20 24.876 21.526 -9.931 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 26.924 22.507 -10.120 1.00 0.00 N ATOM 0 H ARG A 20 19.951 25.730 -12.815 1.00 0.00 H new ATOM 0 HA ARG A 20 20.775 24.131 -10.712 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.087 25.465 -12.491 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.886 26.870 -11.464 1.00 0.00 H new ATOM 0 HG2 ARG A 20 24.060 26.062 -11.012 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.094 25.583 -9.630 1.00 0.00 H new ATOM 0 HD2 ARG A 20 23.015 23.312 -10.311 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.462 23.691 -11.963 1.00 0.00 H new ATOM 0 HE ARG A 20 25.670 24.550 -10.644 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.859 21.587 -9.979 1.00 0.00 H new ATOM 0 HH12 ARG A 20 25.322 20.651 -9.655 1.00 0.00 H new ATOM 0 HH21 ARG A 20 27.500 23.326 -10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 20 27.363 21.629 -9.843 1.00 0.00 H new ATOM 310 N GLU A 21 19.701 27.002 -9.588 1.00 0.00 N ATOM 311 CA GLU A 21 19.362 27.750 -8.381 1.00 0.00 C ATOM 312 C GLU A 21 18.021 27.359 -7.743 1.00 0.00 C ATOM 313 O GLU A 21 17.662 27.876 -6.672 1.00 0.00 O ATOM 314 CB GLU A 21 19.476 29.283 -8.580 1.00 0.00 C ATOM 315 CG GLU A 21 18.891 29.827 -9.860 1.00 0.00 C ATOM 316 CD GLU A 21 19.755 29.560 -11.072 1.00 0.00 C ATOM 317 OE1 GLU A 21 20.697 30.335 -11.325 1.00 0.00 O ATOM 318 OE2 GLU A 21 19.526 28.552 -11.766 1.00 0.00 O1- ATOM 0 H GLU A 21 19.395 27.447 -10.453 1.00 0.00 H new ATOM 0 HA GLU A 21 20.122 27.453 -7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.986 29.776 -7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.530 29.558 -8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.907 29.385 -10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.744 30.902 -9.756 1.00 0.00 H new ATOM 325 N LEU A 22 17.292 26.456 -8.363 1.00 0.00 N ATOM 326 CA LEU A 22 16.044 25.990 -7.768 1.00 0.00 C ATOM 327 C LEU A 22 16.338 24.920 -6.735 1.00 0.00 C ATOM 328 O LEU A 22 16.907 23.870 -7.040 1.00 0.00 O ATOM 329 CB LEU A 22 15.056 25.472 -8.829 1.00 0.00 C ATOM 330 CG LEU A 22 14.578 26.519 -9.841 1.00 0.00 C ATOM 331 CD1 LEU A 22 13.682 25.913 -10.885 1.00 0.00 C ATOM 332 CD2 LEU A 22 13.831 27.624 -9.137 1.00 0.00 C ATOM 0 H LEU A 22 17.529 26.033 -9.260 1.00 0.00 H new ATOM 0 HA LEU A 22 15.565 26.839 -7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.527 24.653 -9.373 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.186 25.058 -8.320 1.00 0.00 H new ATOM 0 HG LEU A 22 15.464 26.921 -10.333 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.364 26.686 -11.584 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.225 25.137 -11.425 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.807 25.476 -10.404 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.497 28.361 -9.868 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.966 27.207 -8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.489 28.104 -8.413 1.00 0.00 H new ATOM 344 N THR A 23 15.972 25.210 -5.521 1.00 0.00 N ATOM 345 CA THR A 23 16.209 24.328 -4.410 1.00 0.00 C ATOM 346 C THR A 23 14.871 23.750 -3.884 1.00 0.00 C ATOM 347 O THR A 23 13.803 24.133 -4.352 1.00 0.00 O ATOM 348 CB THR A 23 16.976 25.095 -3.293 1.00 0.00 C ATOM 349 OG1 THR A 23 17.345 24.217 -2.220 1.00 0.00 O ATOM 350 CG2 THR A 23 16.143 26.237 -2.752 1.00 0.00 C ATOM 0 H THR A 23 15.495 26.075 -5.269 1.00 0.00 H new ATOM 0 HA THR A 23 16.823 23.488 -4.736 1.00 0.00 H new ATOM 0 HB THR A 23 17.884 25.499 -3.741 1.00 0.00 H new ATOM 0 HG1 THR A 23 16.620 24.183 -1.561 1.00 0.00 H new ATOM 0 HG21 THR A 23 16.701 26.757 -1.973 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.912 26.933 -3.559 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.216 25.845 -2.334 1.00 0.00 H new ATOM 358 N GLU A 24 14.946 22.871 -2.889 1.00 0.00 N ATOM 359 CA GLU A 24 13.766 22.233 -2.272 1.00 0.00 C ATOM 360 C GLU A 24 12.785 23.249 -1.720 1.00 0.00 C ATOM 361 O GLU A 24 11.591 23.086 -1.860 1.00 0.00 O ATOM 362 CB GLU A 24 14.145 21.218 -1.178 1.00 0.00 C ATOM 363 CG GLU A 24 15.615 21.125 -0.857 1.00 0.00 C ATOM 364 CD GLU A 24 16.173 22.286 -0.063 1.00 0.00 C ATOM 365 OE1 GLU A 24 15.740 23.456 -0.231 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 17.090 22.050 0.694 1.00 0.00 O ATOM 0 H GLU A 24 15.831 22.573 -2.478 1.00 0.00 H new ATOM 0 HA GLU A 24 13.276 21.688 -3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.608 21.477 -0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.795 20.232 -1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.792 20.205 -0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.171 21.043 -1.791 1.00 0.00 H new ATOM 373 N GLY A 25 13.306 24.288 -1.095 1.00 0.00 N ATOM 374 CA GLY A 25 12.481 25.370 -0.579 1.00 0.00 C ATOM 375 C GLY A 25 11.658 26.037 -1.659 1.00 0.00 C ATOM 376 O GLY A 25 10.515 26.446 -1.422 1.00 0.00 O ATOM 0 H GLY A 25 14.305 24.408 -0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.816 24.980 0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.119 26.114 -0.102 1.00 0.00 H new ATOM 380 N ASP A 26 12.214 26.092 -2.845 1.00 0.00 N ATOM 381 CA ASP A 26 11.565 26.714 -3.991 1.00 0.00 C ATOM 382 C ASP A 26 10.471 25.788 -4.464 1.00 0.00 C ATOM 383 O ASP A 26 9.325 26.188 -4.674 1.00 0.00 O ATOM 384 CB ASP A 26 12.584 26.917 -5.098 1.00 0.00 C ATOM 385 CG ASP A 26 12.034 27.682 -6.255 1.00 0.00 C ATOM 386 OD1 ASP A 26 11.394 27.090 -7.111 1.00 0.00 O ATOM 387 OD2 ASP A 26 12.284 28.904 -6.318 1.00 0.00 O1- ATOM 0 H ASP A 26 13.135 25.706 -3.051 1.00 0.00 H new ATOM 0 HA ASP A 26 11.146 27.683 -3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.449 27.445 -4.697 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.936 25.945 -5.445 1.00 0.00 H new ATOM 392 N ILE A 27 10.836 24.530 -4.536 1.00 0.00 N ATOM 393 CA ILE A 27 9.949 23.448 -4.890 1.00 0.00 C ATOM 394 C ILE A 27 8.765 23.407 -3.915 1.00 0.00 C ATOM 395 O ILE A 27 7.624 23.288 -4.322 1.00 0.00 O ATOM 396 CB ILE A 27 10.740 22.118 -4.862 1.00 0.00 C ATOM 397 CG1 ILE A 27 11.882 22.202 -5.875 1.00 0.00 C ATOM 398 CG2 ILE A 27 9.844 20.925 -5.162 1.00 0.00 C ATOM 399 CD1 ILE A 27 12.878 21.084 -5.781 1.00 0.00 C ATOM 0 H ILE A 27 11.789 24.222 -4.344 1.00 0.00 H new ATOM 0 HA ILE A 27 9.553 23.600 -5.894 1.00 0.00 H new ATOM 0 HB ILE A 27 11.143 21.969 -3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.460 22.213 -6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.404 23.149 -5.738 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.435 20.010 -5.133 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.051 20.869 -4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.403 21.041 -6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.653 21.223 -6.535 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.332 21.084 -4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.374 20.132 -5.949 1.00 0.00 H new ATOM 411 N LEU A 28 9.050 23.557 -2.628 1.00 0.00 N ATOM 412 CA LEU A 28 8.019 23.617 -1.608 1.00 0.00 C ATOM 413 C LEU A 28 7.090 24.780 -1.856 1.00 0.00 C ATOM 414 O LEU A 28 5.893 24.650 -1.698 1.00 0.00 O ATOM 415 CB LEU A 28 8.630 23.742 -0.215 1.00 0.00 C ATOM 416 CG LEU A 28 9.429 22.547 0.279 1.00 0.00 C ATOM 417 CD1 LEU A 28 10.088 22.866 1.602 1.00 0.00 C ATOM 418 CD2 LEU A 28 8.527 21.337 0.420 1.00 0.00 C ATOM 0 H LEU A 28 10.000 23.640 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 28 7.452 22.688 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.280 24.617 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.826 23.933 0.496 1.00 0.00 H new ATOM 0 HG LEU A 28 10.206 22.321 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.657 22.001 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.759 23.716 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.324 23.112 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.111 20.487 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.734 21.556 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.087 21.096 -0.548 1.00 0.00 H new ATOM 430 N THR A 29 7.651 25.890 -2.271 1.00 0.00 N ATOM 431 CA THR A 29 6.898 27.089 -2.558 1.00 0.00 C ATOM 432 C THR A 29 5.823 26.827 -3.646 1.00 0.00 C ATOM 433 O THR A 29 4.653 27.185 -3.467 1.00 0.00 O ATOM 434 CB THR A 29 7.867 28.230 -2.967 1.00 0.00 C ATOM 435 OG1 THR A 29 8.768 28.495 -1.869 1.00 0.00 O ATOM 436 CG2 THR A 29 7.124 29.507 -3.335 1.00 0.00 C ATOM 0 H THR A 29 8.655 25.988 -2.421 1.00 0.00 H new ATOM 0 HA THR A 29 6.366 27.399 -1.658 1.00 0.00 H new ATOM 0 HB THR A 29 8.419 27.906 -3.849 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.360 27.725 -1.739 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.842 30.278 -3.614 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.457 29.311 -4.174 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.540 29.848 -2.480 1.00 0.00 H new ATOM 444 N VAL A 30 6.212 26.187 -4.741 1.00 0.00 N ATOM 445 CA VAL A 30 5.257 25.870 -5.801 1.00 0.00 C ATOM 446 C VAL A 30 4.410 24.607 -5.527 1.00 0.00 C ATOM 447 O VAL A 30 3.274 24.534 -5.947 1.00 0.00 O ATOM 448 CB VAL A 30 5.880 25.840 -7.230 1.00 0.00 C ATOM 449 CG1 VAL A 30 6.364 27.219 -7.626 1.00 0.00 C ATOM 450 CG2 VAL A 30 7.016 24.836 -7.335 1.00 0.00 C ATOM 0 H VAL A 30 7.168 25.880 -4.920 1.00 0.00 H new ATOM 0 HA VAL A 30 4.569 26.715 -5.782 1.00 0.00 H new ATOM 0 HB VAL A 30 5.096 25.524 -7.918 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.796 27.180 -8.626 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.525 27.915 -7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.120 27.557 -6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.420 24.849 -8.347 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.802 25.100 -6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.642 23.838 -7.106 1.00 0.00 H new ATOM 460 N PHE A 31 4.958 23.628 -4.814 1.00 0.00 N ATOM 461 CA PHE A 31 4.213 22.389 -4.518 1.00 0.00 C ATOM 462 C PHE A 31 3.208 22.556 -3.381 1.00 0.00 C ATOM 463 O PHE A 31 2.309 21.738 -3.221 1.00 0.00 O ATOM 464 CB PHE A 31 5.141 21.164 -4.291 1.00 0.00 C ATOM 465 CG PHE A 31 5.724 20.577 -5.568 1.00 0.00 C ATOM 466 CD1 PHE A 31 6.584 21.312 -6.355 1.00 0.00 C ATOM 467 CD2 PHE A 31 5.399 19.287 -5.981 1.00 0.00 C ATOM 468 CE1 PHE A 31 7.108 20.799 -7.523 1.00 0.00 C ATOM 469 CE2 PHE A 31 5.926 18.771 -7.147 1.00 0.00 C ATOM 470 CZ PHE A 31 6.778 19.529 -7.919 1.00 0.00 C ATOM 0 H PHE A 31 5.903 23.658 -4.431 1.00 0.00 H new ATOM 0 HA PHE A 31 3.634 22.180 -5.418 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.959 21.459 -3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.579 20.388 -3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.854 22.312 -6.050 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.729 18.686 -5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.777 21.397 -8.124 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.669 17.768 -7.456 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.185 19.124 -8.834 1.00 0.00 H new ATOM 480 N SER A 32 3.334 23.625 -2.615 1.00 0.00 N ATOM 481 CA SER A 32 2.376 23.894 -1.546 1.00 0.00 C ATOM 482 C SER A 32 1.059 24.450 -2.104 1.00 0.00 C ATOM 483 O SER A 32 0.082 24.619 -1.376 1.00 0.00 O ATOM 484 CB SER A 32 2.958 24.799 -0.466 1.00 0.00 C ATOM 485 OG SER A 32 4.087 24.197 0.146 1.00 0.00 O ATOM 0 H SER A 32 4.079 24.316 -2.707 1.00 0.00 H new ATOM 0 HA SER A 32 2.154 22.940 -1.067 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.244 25.756 -0.903 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.199 25.007 0.288 1.00 0.00 H new ATOM 0 HG SER A 32 4.787 24.056 -0.525 1.00 0.00 H new ATOM 491 N GLU A 33 1.075 24.755 -3.399 1.00 0.00 N ATOM 492 CA GLU A 33 -0.083 25.232 -4.154 1.00 0.00 C ATOM 493 C GLU A 33 -1.259 24.267 -3.988 1.00 0.00 C ATOM 494 O GLU A 33 -2.383 24.672 -3.695 1.00 0.00 O ATOM 495 CB GLU A 33 0.312 25.261 -5.631 1.00 0.00 C ATOM 496 CG GLU A 33 -0.761 25.692 -6.610 1.00 0.00 C ATOM 497 CD GLU A 33 -1.082 27.155 -6.533 1.00 0.00 C ATOM 498 OE1 GLU A 33 -0.180 27.972 -6.824 1.00 0.00 O1- ATOM 499 OE2 GLU A 33 -2.227 27.498 -6.212 1.00 0.00 O ATOM 0 H GLU A 33 1.917 24.675 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.379 26.218 -3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.165 25.931 -5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.651 24.264 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.437 25.451 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.668 25.118 -6.420 1.00 0.00 H new ATOM 506 N TYR A 34 -0.976 22.990 -4.158 1.00 0.00 N ATOM 507 CA TYR A 34 -2.016 21.997 -4.139 1.00 0.00 C ATOM 508 C TYR A 34 -2.147 21.320 -2.781 1.00 0.00 C ATOM 509 O TYR A 34 -3.197 20.798 -2.465 1.00 0.00 O ATOM 510 CB TYR A 34 -1.796 20.939 -5.249 1.00 0.00 C ATOM 511 CG TYR A 34 -0.550 20.076 -5.082 1.00 0.00 C ATOM 512 CD1 TYR A 34 -0.581 18.928 -4.295 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.647 20.413 -5.696 1.00 0.00 C ATOM 514 CE1 TYR A 34 0.536 18.152 -4.120 1.00 0.00 C ATOM 515 CE2 TYR A 34 1.773 19.631 -5.528 1.00 0.00 C ATOM 516 CZ TYR A 34 1.707 18.501 -4.732 1.00 0.00 C ATOM 517 OH TYR A 34 2.823 17.727 -4.537 1.00 0.00 O ATOM 0 H TYR A 34 -0.036 22.623 -4.310 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.951 22.522 -4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.669 20.287 -5.286 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.739 21.450 -6.210 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.504 18.643 -3.812 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.699 21.298 -6.313 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.490 17.268 -3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.699 19.900 -6.015 1.00 0.00 H new ATOM 0 HH TYR A 34 2.553 16.798 -4.381 1.00 0.00 H new ATOM 527 N GLY A 35 -1.082 21.313 -1.998 1.00 0.00 N ATOM 528 CA GLY A 35 -1.107 20.620 -0.736 1.00 0.00 C ATOM 529 C GLY A 35 0.185 20.776 -0.009 1.00 0.00 C ATOM 530 O GLY A 35 0.999 21.590 -0.400 1.00 0.00 O ATOM 0 H GLY A 35 -0.200 21.777 -2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.921 21.006 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.308 19.562 -0.903 1.00 0.00 H new ATOM 534 N VAL A 36 0.392 20.008 1.030 1.00 0.00 N ATOM 535 CA VAL A 36 1.620 20.109 1.785 1.00 0.00 C ATOM 536 C VAL A 36 2.539 18.950 1.434 1.00 0.00 C ATOM 537 O VAL A 36 2.175 17.791 1.633 1.00 0.00 O ATOM 538 CB VAL A 36 1.380 20.093 3.314 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.688 20.326 4.058 1.00 0.00 C ATOM 540 CG2 VAL A 36 0.365 21.135 3.716 1.00 0.00 C ATOM 0 H VAL A 36 -0.267 19.309 1.373 1.00 0.00 H new ATOM 0 HA VAL A 36 2.074 21.064 1.519 1.00 0.00 H new ATOM 0 HB VAL A 36 0.988 19.112 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.503 20.312 5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.398 19.539 3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.101 21.294 3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.216 21.101 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.725 22.123 3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.581 20.935 3.213 1.00 0.00 H new ATOM 550 N PRO A 37 3.709 19.235 0.857 1.00 0.00 N ATOM 551 CA PRO A 37 4.707 18.211 0.562 1.00 0.00 C ATOM 552 C PRO A 37 5.200 17.517 1.841 1.00 0.00 C ATOM 553 O PRO A 37 5.430 18.162 2.862 1.00 0.00 O ATOM 554 CB PRO A 37 5.844 18.998 -0.094 1.00 0.00 C ATOM 555 CG PRO A 37 5.208 20.250 -0.582 1.00 0.00 C ATOM 556 CD PRO A 37 4.147 20.571 0.417 1.00 0.00 C ATOM 0 HA PRO A 37 4.311 17.415 -0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.640 19.211 0.619 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.292 18.436 -0.914 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.936 21.058 -0.655 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.783 20.113 -1.576 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.535 21.164 1.245 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.330 21.140 -0.027 1.00 0.00 H new ATOM 564 N VAL A 38 5.344 16.214 1.764 1.00 0.00 N ATOM 565 CA VAL A 38 5.759 15.393 2.897 1.00 0.00 C ATOM 566 C VAL A 38 7.256 15.198 2.867 1.00 0.00 C ATOM 567 O VAL A 38 7.962 15.421 3.847 1.00 0.00 O ATOM 568 CB VAL A 38 5.069 14.012 2.792 1.00 0.00 C ATOM 569 CG1 VAL A 38 5.505 13.053 3.883 1.00 0.00 C ATOM 570 CG2 VAL A 38 3.583 14.187 2.821 1.00 0.00 C ATOM 0 H VAL A 38 5.177 15.682 0.910 1.00 0.00 H new ATOM 0 HA VAL A 38 5.478 15.887 3.827 1.00 0.00 H new ATOM 0 HB VAL A 38 5.374 13.569 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.988 12.101 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.581 12.893 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.259 13.475 4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.100 13.212 2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.291 14.666 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.274 14.810 1.982 1.00 0.00 H new ATOM 580 N ASP A 39 7.715 14.804 1.730 1.00 0.00 N ATOM 581 CA ASP A 39 9.099 14.508 1.502 1.00 0.00 C ATOM 582 C ASP A 39 9.548 15.265 0.318 1.00 0.00 C ATOM 583 O ASP A 39 8.895 15.207 -0.719 1.00 0.00 O ATOM 584 CB ASP A 39 9.267 13.016 1.192 1.00 0.00 C ATOM 585 CG ASP A 39 9.416 12.103 2.381 1.00 0.00 C ATOM 586 OD1 ASP A 39 8.437 11.884 3.089 1.00 0.00 O ATOM 587 OD2 ASP A 39 10.497 11.509 2.570 1.00 0.00 O1- ATOM 0 H ASP A 39 7.127 14.673 0.907 1.00 0.00 H new ATOM 0 HA ASP A 39 9.676 14.774 2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.404 12.687 0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.143 12.895 0.555 1.00 0.00 H new ATOM 592 N VAL A 40 10.600 16.001 0.459 1.00 0.00 N ATOM 593 CA VAL A 40 11.202 16.649 -0.661 1.00 0.00 C ATOM 594 C VAL A 40 12.700 16.550 -0.527 1.00 0.00 C ATOM 595 O VAL A 40 13.272 16.857 0.514 1.00 0.00 O ATOM 596 CB VAL A 40 10.749 18.137 -0.879 1.00 0.00 C ATOM 597 CG1 VAL A 40 11.179 19.046 0.254 1.00 0.00 C ATOM 598 CG2 VAL A 40 11.255 18.666 -2.216 1.00 0.00 C ATOM 0 H VAL A 40 11.066 16.171 1.350 1.00 0.00 H new ATOM 0 HA VAL A 40 10.857 16.129 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 40 9.659 18.137 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.841 20.063 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.740 18.695 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.266 19.035 0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.929 19.698 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.344 18.624 -2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.854 18.055 -3.024 1.00 0.00 H new ATOM 608 N ILE A 41 13.308 16.043 -1.525 1.00 0.00 N ATOM 609 CA ILE A 41 14.728 15.923 -1.558 1.00 0.00 C ATOM 610 C ILE A 41 15.242 16.435 -2.856 1.00 0.00 C ATOM 611 O ILE A 41 14.768 16.058 -3.928 1.00 0.00 O ATOM 612 CB ILE A 41 15.293 14.486 -1.276 1.00 0.00 C ATOM 613 CG1 ILE A 41 14.574 13.382 -2.075 1.00 0.00 C ATOM 614 CG2 ILE A 41 15.318 14.167 0.206 1.00 0.00 C ATOM 615 CD1 ILE A 41 13.192 12.967 -1.549 1.00 0.00 C ATOM 0 H ILE A 41 12.837 15.692 -2.359 1.00 0.00 H new ATOM 0 HA ILE A 41 15.089 16.528 -0.726 1.00 0.00 H new ATOM 0 HB ILE A 41 16.323 14.500 -1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.463 13.719 -3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.214 12.500 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.716 13.163 0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.950 14.889 0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 41 14.306 14.219 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.780 12.185 -2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.288 12.591 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.526 13.830 -1.556 1.00 0.00 H new ATOM 627 N LEU A 42 16.166 17.307 -2.760 1.00 0.00 N ATOM 628 CA LEU A 42 16.751 17.928 -3.898 1.00 0.00 C ATOM 629 C LEU A 42 18.086 17.260 -4.127 1.00 0.00 C ATOM 630 O LEU A 42 18.871 17.105 -3.189 1.00 0.00 O ATOM 631 CB LEU A 42 16.865 19.454 -3.617 1.00 0.00 C ATOM 632 CG LEU A 42 17.339 20.423 -4.731 1.00 0.00 C ATOM 633 CD1 LEU A 42 18.804 20.284 -5.026 1.00 0.00 C ATOM 634 CD2 LEU A 42 16.527 20.250 -5.997 1.00 0.00 C ATOM 0 H LEU A 42 16.552 17.623 -1.870 1.00 0.00 H new ATOM 0 HA LEU A 42 16.155 17.817 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 42 15.883 19.796 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.544 19.577 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 42 17.176 21.431 -4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.085 20.984 -5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.379 20.501 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 42 19.014 19.266 -5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.886 20.944 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.633 19.228 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.477 20.453 -5.786 1.00 0.00 H new ATOM 646 N SER A 43 18.318 16.825 -5.340 1.00 0.00 N ATOM 647 CA SER A 43 19.538 16.163 -5.681 1.00 0.00 C ATOM 648 C SER A 43 20.660 17.183 -5.733 1.00 0.00 C ATOM 649 O SER A 43 20.738 18.009 -6.653 1.00 0.00 O ATOM 650 CB SER A 43 19.390 15.421 -7.019 1.00 0.00 C ATOM 651 OG SER A 43 20.566 14.702 -7.374 1.00 0.00 O ATOM 0 H SER A 43 17.662 16.923 -6.115 1.00 0.00 H new ATOM 0 HA SER A 43 19.778 15.419 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.550 14.730 -6.957 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.155 16.139 -7.805 1.00 0.00 H new ATOM 0 HG SER A 43 20.425 14.246 -8.230 1.00 0.00 H new ATOM 657 N ARG A 44 21.458 17.167 -4.713 1.00 0.00 N ATOM 658 CA ARG A 44 22.587 18.020 -4.592 1.00 0.00 C ATOM 659 C ARG A 44 23.748 17.242 -4.063 1.00 0.00 C ATOM 660 O ARG A 44 23.563 16.263 -3.321 1.00 0.00 O ATOM 661 CB ARG A 44 22.292 19.244 -3.711 1.00 0.00 C ATOM 662 CG ARG A 44 21.586 18.944 -2.397 1.00 0.00 C ATOM 663 CD ARG A 44 21.478 20.191 -1.533 1.00 0.00 C ATOM 664 NE ARG A 44 21.041 21.365 -2.294 1.00 0.00 N ATOM 665 CZ ARG A 44 20.056 22.183 -1.975 1.00 0.00 C ATOM 666 NH1 ARG A 44 19.266 21.908 -0.955 1.00 0.00 N1+ ATOM 667 NH2 ARG A 44 19.830 23.253 -2.717 1.00 0.00 N ATOM 0 H ARG A 44 21.334 16.539 -3.919 1.00 0.00 H new ATOM 0 HA ARG A 44 22.834 18.402 -5.583 1.00 0.00 H new ATOM 0 HB2 ARG A 44 23.233 19.749 -3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 44 21.681 19.943 -4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 44 20.590 18.550 -2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 44 22.131 18.170 -1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 44 20.775 20.006 -0.721 1.00 0.00 H new ATOM 0 HD3 ARG A 44 22.446 20.398 -1.076 1.00 0.00 H new ATOM 0 HE ARG A 44 21.548 21.570 -3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 44 19.415 21.060 -0.409 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.506 22.544 -0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 44 20.415 23.442 -3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.070 23.889 -2.476 1.00 0.00 H new ATOM 681 N ASP A 45 24.924 17.639 -4.480 1.00 0.00 N ATOM 682 CA ASP A 45 26.179 17.012 -4.065 1.00 0.00 C ATOM 683 C ASP A 45 26.328 17.034 -2.548 1.00 0.00 C ATOM 684 O ASP A 45 25.895 17.974 -1.893 1.00 0.00 O ATOM 685 CB ASP A 45 27.336 17.738 -4.714 1.00 0.00 C ATOM 686 CG ASP A 45 28.675 17.217 -4.317 1.00 0.00 C ATOM 687 OD1 ASP A 45 29.119 16.199 -4.876 1.00 0.00 O1- ATOM 688 OD2 ASP A 45 29.288 17.807 -3.427 1.00 0.00 O ATOM 0 H ASP A 45 25.051 18.417 -5.127 1.00 0.00 H new ATOM 0 HA ASP A 45 26.173 15.970 -4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 45 27.236 17.666 -5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 45 27.278 18.796 -4.458 1.00 0.00 H new ATOM 693 N GLU A 46 26.955 16.023 -2.016 1.00 0.00 N ATOM 694 CA GLU A 46 27.077 15.850 -0.577 1.00 0.00 C ATOM 695 C GLU A 46 28.159 16.759 0.027 1.00 0.00 C ATOM 696 O GLU A 46 28.195 16.982 1.236 1.00 0.00 O ATOM 697 CB GLU A 46 27.392 14.385 -0.281 1.00 0.00 C ATOM 698 CG GLU A 46 27.236 13.963 1.171 1.00 0.00 C ATOM 699 CD GLU A 46 27.621 12.526 1.375 1.00 0.00 C ATOM 700 OE1 GLU A 46 27.063 11.642 0.686 1.00 0.00 O1- ATOM 701 OE2 GLU A 46 28.540 12.253 2.180 1.00 0.00 O ATOM 0 H GLU A 46 27.402 15.286 -2.562 1.00 0.00 H new ATOM 0 HA GLU A 46 26.131 16.135 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 46 26.743 13.761 -0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 46 28.417 14.182 -0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 46 27.855 14.599 1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 46 26.203 14.111 1.484 1.00 0.00 H new ATOM 708 N ASN A 47 29.014 17.287 -0.803 1.00 0.00 N ATOM 709 CA ASN A 47 30.136 18.062 -0.326 1.00 0.00 C ATOM 710 C ASN A 47 29.901 19.544 -0.489 1.00 0.00 C ATOM 711 O ASN A 47 30.026 20.314 0.458 1.00 0.00 O ATOM 712 CB ASN A 47 31.429 17.642 -1.047 1.00 0.00 C ATOM 713 CG ASN A 47 31.826 16.186 -0.787 1.00 0.00 C ATOM 714 OD1 ASN A 47 31.431 15.651 0.345 1.00 0.00 O flip ATOM 715 ND2 ASN A 47 32.465 15.538 -1.629 1.00 0.00 N flip ATOM 0 H ASN A 47 28.959 17.197 -1.818 1.00 0.00 H new ATOM 0 HA ASN A 47 30.244 17.859 0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 47 31.303 17.790 -2.119 1.00 0.00 H new ATOM 0 HB3 ASN A 47 32.242 18.295 -0.729 1.00 0.00 H new ATOM 0 HD21 ASN A 47 32.758 15.982 -2.499 1.00 0.00 H new ATOM 0 HD22 ASN A 47 32.698 14.561 -1.451 1.00 0.00 H new ATOM 722 N THR A 48 29.555 19.948 -1.669 1.00 0.00 N ATOM 723 CA THR A 48 29.378 21.357 -1.919 1.00 0.00 C ATOM 724 C THR A 48 27.897 21.743 -1.946 1.00 0.00 C ATOM 725 O THR A 48 27.549 22.919 -1.838 1.00 0.00 O ATOM 726 CB THR A 48 30.115 21.812 -3.209 1.00 0.00 C ATOM 727 OG1 THR A 48 29.975 23.221 -3.429 1.00 0.00 O ATOM 728 CG2 THR A 48 29.615 21.067 -4.400 1.00 0.00 C ATOM 0 H THR A 48 29.389 19.339 -2.470 1.00 0.00 H new ATOM 0 HA THR A 48 29.836 21.891 -1.086 1.00 0.00 H new ATOM 0 HB THR A 48 31.173 21.590 -3.067 1.00 0.00 H new ATOM 0 HG1 THR A 48 30.452 23.473 -4.247 1.00 0.00 H new ATOM 0 HG21 THR A 48 30.147 21.404 -5.290 1.00 0.00 H new ATOM 0 HG22 THR A 48 29.784 20.000 -4.259 1.00 0.00 H new ATOM 0 HG23 THR A 48 28.548 21.252 -4.523 1.00 0.00 H new ATOM 736 N GLY A 49 27.035 20.760 -2.071 1.00 0.00 N ATOM 737 CA GLY A 49 25.620 21.030 -2.098 1.00 0.00 C ATOM 738 C GLY A 49 25.134 21.537 -3.440 1.00 0.00 C ATOM 739 O GLY A 49 24.047 22.095 -3.522 1.00 0.00 O ATOM 0 H GLY A 49 27.288 19.775 -2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 49 25.078 20.119 -1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.383 21.767 -1.331 1.00 0.00 H new ATOM 743 N GLU A 50 25.934 21.330 -4.494 1.00 0.00 N ATOM 744 CA GLU A 50 25.562 21.772 -5.836 1.00 0.00 C ATOM 745 C GLU A 50 24.280 21.086 -6.320 1.00 0.00 C ATOM 746 O GLU A 50 24.229 19.861 -6.451 1.00 0.00 O ATOM 747 CB GLU A 50 26.728 21.627 -6.861 1.00 0.00 C ATOM 748 CG GLU A 50 27.493 20.308 -6.799 1.00 0.00 C ATOM 749 CD GLU A 50 27.822 19.674 -8.135 1.00 0.00 C ATOM 750 OE1 GLU A 50 28.053 20.397 -9.104 1.00 0.00 O ATOM 751 OE2 GLU A 50 27.897 18.429 -8.215 1.00 0.00 O1- ATOM 0 H GLU A 50 26.838 20.861 -4.440 1.00 0.00 H new ATOM 0 HA GLU A 50 25.352 22.839 -5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 50 26.323 21.746 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 50 27.432 22.444 -6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 50 28.424 20.475 -6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 50 26.908 19.597 -6.215 1.00 0.00 H new ATOM 758 N SER A 51 23.242 21.882 -6.495 1.00 0.00 N ATOM 759 CA SER A 51 21.942 21.432 -6.951 1.00 0.00 C ATOM 760 C SER A 51 22.016 20.928 -8.401 1.00 0.00 C ATOM 761 O SER A 51 22.237 21.697 -9.331 1.00 0.00 O ATOM 762 CB SER A 51 20.956 22.589 -6.811 1.00 0.00 C ATOM 763 OG SER A 51 20.931 23.054 -5.460 1.00 0.00 O ATOM 0 H SER A 51 23.282 22.886 -6.319 1.00 0.00 H new ATOM 0 HA SER A 51 21.603 20.593 -6.343 1.00 0.00 H new ATOM 0 HB2 SER A 51 21.241 23.402 -7.478 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.959 22.265 -7.111 1.00 0.00 H new ATOM 0 HG SER A 51 20.566 23.963 -5.434 1.00 0.00 H new ATOM 769 N GLN A 52 21.813 19.640 -8.582 1.00 0.00 N ATOM 770 CA GLN A 52 22.006 18.981 -9.881 1.00 0.00 C ATOM 771 C GLN A 52 20.846 19.239 -10.839 1.00 0.00 C ATOM 772 O GLN A 52 20.930 18.955 -12.035 1.00 0.00 O ATOM 773 CB GLN A 52 22.226 17.470 -9.687 1.00 0.00 C ATOM 774 CG GLN A 52 23.233 17.122 -8.577 1.00 0.00 C ATOM 775 CD GLN A 52 24.636 17.692 -8.774 1.00 0.00 C ATOM 776 OE1 GLN A 52 24.838 18.737 -9.413 1.00 0.00 O ATOM 777 NE2 GLN A 52 25.602 17.054 -8.184 1.00 0.00 N ATOM 0 H GLN A 52 21.509 19.010 -7.840 1.00 0.00 H new ATOM 0 HA GLN A 52 22.897 19.414 -10.336 1.00 0.00 H new ATOM 0 HB2 GLN A 52 21.270 17.001 -9.456 1.00 0.00 H new ATOM 0 HB3 GLN A 52 22.573 17.040 -10.626 1.00 0.00 H new ATOM 0 HG2 GLN A 52 22.841 17.483 -7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 52 23.306 16.037 -8.501 1.00 0.00 H new ATOM 0 HE21 GLN A 52 25.406 16.198 -7.666 1.00 0.00 H new ATOM 0 HE22 GLN A 52 26.556 17.410 -8.239 1.00 0.00 H new ATOM 786 N GLY A 53 19.781 19.798 -10.321 1.00 0.00 N ATOM 787 CA GLY A 53 18.642 20.088 -11.154 1.00 0.00 C ATOM 788 C GLY A 53 17.634 18.950 -11.205 1.00 0.00 C ATOM 789 O GLY A 53 16.886 18.821 -12.177 1.00 0.00 O ATOM 0 H GLY A 53 19.679 20.058 -9.340 1.00 0.00 H new ATOM 0 HA2 GLY A 53 18.148 20.986 -10.784 1.00 0.00 H new ATOM 0 HA3 GLY A 53 18.985 20.307 -12.165 1.00 0.00 H new ATOM 793 N PHE A 54 17.633 18.115 -10.191 1.00 0.00 N ATOM 794 CA PHE A 54 16.656 17.041 -10.064 1.00 0.00 C ATOM 795 C PHE A 54 16.194 16.997 -8.641 1.00 0.00 C ATOM 796 O PHE A 54 16.952 17.360 -7.732 1.00 0.00 O ATOM 797 CB PHE A 54 17.224 15.657 -10.446 1.00 0.00 C ATOM 798 CG PHE A 54 17.657 15.520 -11.871 1.00 0.00 C ATOM 799 CD1 PHE A 54 16.756 15.118 -12.838 1.00 0.00 C ATOM 800 CD2 PHE A 54 18.962 15.782 -12.244 1.00 0.00 C ATOM 801 CE1 PHE A 54 17.144 14.981 -14.149 1.00 0.00 C ATOM 802 CE2 PHE A 54 19.354 15.645 -13.555 1.00 0.00 C ATOM 803 CZ PHE A 54 18.443 15.244 -14.509 1.00 0.00 C ATOM 0 H PHE A 54 18.307 18.156 -9.427 1.00 0.00 H new ATOM 0 HA PHE A 54 15.839 17.252 -10.754 1.00 0.00 H new ATOM 0 HB2 PHE A 54 18.076 15.441 -9.801 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.467 14.901 -10.238 1.00 0.00 H new ATOM 0 HD1 PHE A 54 15.734 14.909 -12.560 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.679 16.097 -11.500 1.00 0.00 H new ATOM 0 HE1 PHE A 54 16.429 14.667 -14.895 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.376 15.852 -13.837 1.00 0.00 H new ATOM 0 HZ PHE A 54 18.751 15.137 -15.539 1.00 0.00 H new ATOM 813 N ALA A 55 14.987 16.586 -8.436 1.00 0.00 N ATOM 814 CA ALA A 55 14.436 16.477 -7.122 1.00 0.00 C ATOM 815 C ALA A 55 13.448 15.349 -7.081 1.00 0.00 C ATOM 816 O ALA A 55 12.980 14.883 -8.124 1.00 0.00 O ATOM 817 CB ALA A 55 13.764 17.774 -6.714 1.00 0.00 C ATOM 0 H ALA A 55 14.347 16.313 -9.182 1.00 0.00 H new ATOM 0 HA ALA A 55 15.244 16.275 -6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.351 17.670 -5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.496 18.582 -6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.961 18.004 -7.415 1.00 0.00 H new ATOM 823 N TYR A 56 13.159 14.894 -5.907 1.00 0.00 N ATOM 824 CA TYR A 56 12.187 13.868 -5.698 1.00 0.00 C ATOM 825 C TYR A 56 11.295 14.373 -4.590 1.00 0.00 C ATOM 826 O TYR A 56 11.787 14.990 -3.638 1.00 0.00 O ATOM 827 CB TYR A 56 12.854 12.542 -5.266 1.00 0.00 C ATOM 828 CG TYR A 56 14.052 12.113 -6.106 1.00 0.00 C ATOM 829 CD1 TYR A 56 13.893 11.552 -7.366 1.00 0.00 C ATOM 830 CD2 TYR A 56 15.348 12.282 -5.625 1.00 0.00 C ATOM 831 CE1 TYR A 56 14.992 11.169 -8.121 1.00 0.00 C ATOM 832 CE2 TYR A 56 16.446 11.904 -6.368 1.00 0.00 C ATOM 833 CZ TYR A 56 16.268 11.349 -7.612 1.00 0.00 C ATOM 834 OH TYR A 56 17.376 10.970 -8.357 1.00 0.00 O ATOM 0 H TYR A 56 13.598 15.229 -5.050 1.00 0.00 H new ATOM 0 HA TYR A 56 11.636 13.662 -6.616 1.00 0.00 H new ATOM 0 HB2 TYR A 56 13.174 12.636 -4.228 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.106 11.750 -5.299 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.899 11.412 -7.764 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.496 12.719 -4.648 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.854 10.733 -9.099 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.442 12.044 -5.974 1.00 0.00 H new ATOM 0 HH TYR A 56 18.193 11.167 -7.852 1.00 0.00 H new ATOM 844 N LEU A 57 10.027 14.177 -4.707 1.00 0.00 N ATOM 845 CA LEU A 57 9.107 14.658 -3.698 1.00 0.00 C ATOM 846 C LEU A 57 7.998 13.646 -3.559 1.00 0.00 C ATOM 847 O LEU A 57 7.828 12.819 -4.439 1.00 0.00 O ATOM 848 CB LEU A 57 8.568 16.062 -4.130 1.00 0.00 C ATOM 849 CG LEU A 57 7.742 16.898 -3.121 1.00 0.00 C ATOM 850 CD1 LEU A 57 7.850 18.362 -3.475 1.00 0.00 C ATOM 851 CD2 LEU A 57 6.274 16.516 -3.166 1.00 0.00 C ATOM 0 H LEU A 57 9.589 13.688 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 57 9.595 14.775 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.425 16.664 -4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.953 15.918 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 57 8.137 16.704 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.269 18.952 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.895 18.670 -3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.464 18.522 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.719 17.119 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.882 16.693 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.165 15.461 -2.915 1.00 0.00 H new ATOM 863 N LYS A 58 7.308 13.649 -2.450 1.00 0.00 N ATOM 864 CA LYS A 58 6.142 12.820 -2.317 1.00 0.00 C ATOM 865 C LYS A 58 5.161 13.422 -1.356 1.00 0.00 C ATOM 866 O LYS A 58 5.550 14.125 -0.392 1.00 0.00 O ATOM 867 CB LYS A 58 6.441 11.380 -1.855 1.00 0.00 C ATOM 868 CG LYS A 58 6.821 11.213 -0.399 1.00 0.00 C ATOM 869 CD LYS A 58 6.439 9.833 0.072 1.00 0.00 C ATOM 870 CE LYS A 58 5.816 9.861 1.449 1.00 0.00 C ATOM 871 NZ LYS A 58 6.789 9.954 2.552 1.00 0.00 N1+ ATOM 0 H LYS A 58 7.532 14.213 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 58 5.725 12.767 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.562 10.767 -2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.250 10.984 -2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.893 11.367 -0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.318 11.967 0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.738 9.389 -0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.324 9.196 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.134 10.709 1.509 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.217 8.960 1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.283 9.985 3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.416 9.124 2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.356 10.819 2.442 1.00 0.00 H new ATOM 885 N TYR A 59 3.906 13.237 -1.652 1.00 0.00 N ATOM 886 CA TYR A 59 2.886 13.447 -0.672 1.00 0.00 C ATOM 887 C TYR A 59 2.729 12.102 0.071 1.00 0.00 C ATOM 888 O TYR A 59 3.268 11.091 -0.376 1.00 0.00 O ATOM 889 CB TYR A 59 1.555 13.917 -1.308 1.00 0.00 C ATOM 890 CG TYR A 59 0.480 14.275 -0.281 1.00 0.00 C ATOM 891 CD1 TYR A 59 0.563 15.444 0.455 1.00 0.00 C ATOM 892 CD2 TYR A 59 -0.595 13.431 -0.037 1.00 0.00 C ATOM 893 CE1 TYR A 59 -0.388 15.761 1.410 1.00 0.00 C ATOM 894 CE2 TYR A 59 -1.552 13.740 0.906 1.00 0.00 C ATOM 895 CZ TYR A 59 -1.442 14.903 1.629 1.00 0.00 C ATOM 896 OH TYR A 59 -2.383 15.197 2.590 1.00 0.00 O ATOM 0 H TYR A 59 3.567 12.940 -2.567 1.00 0.00 H new ATOM 0 HA TYR A 59 3.163 14.246 0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.749 14.786 -1.937 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.175 13.130 -1.960 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.385 16.122 0.281 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.683 12.512 -0.598 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.304 16.675 1.979 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.383 13.072 1.075 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.059 14.488 2.614 1.00 0.00 H new ATOM 906 N GLU A 60 2.041 12.107 1.197 1.00 0.00 N ATOM 907 CA GLU A 60 1.871 10.921 2.034 1.00 0.00 C ATOM 908 C GLU A 60 1.092 9.870 1.240 1.00 0.00 C ATOM 909 O GLU A 60 1.552 8.731 1.042 1.00 0.00 O ATOM 910 CB GLU A 60 1.137 11.362 3.327 1.00 0.00 C ATOM 911 CG GLU A 60 1.115 10.370 4.489 1.00 0.00 C ATOM 912 CD GLU A 60 0.230 9.181 4.267 1.00 0.00 C ATOM 913 OE1 GLU A 60 -1.000 9.337 4.350 1.00 0.00 O ATOM 914 OE2 GLU A 60 0.737 8.084 4.021 1.00 0.00 O1- ATOM 0 H GLU A 60 1.578 12.938 1.565 1.00 0.00 H new ATOM 0 HA GLU A 60 2.823 10.471 2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.598 12.285 3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.106 11.600 3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.131 10.022 4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.787 10.890 5.389 1.00 0.00 H new ATOM 921 N ASP A 61 -0.057 10.274 0.776 1.00 0.00 N ATOM 922 CA ASP A 61 -0.887 9.447 -0.072 1.00 0.00 C ATOM 923 C ASP A 61 -0.545 9.776 -1.520 1.00 0.00 C ATOM 924 O ASP A 61 -0.301 10.947 -1.852 1.00 0.00 O ATOM 925 CB ASP A 61 -2.375 9.728 0.194 1.00 0.00 C ATOM 926 CG ASP A 61 -3.305 8.754 -0.509 1.00 0.00 C ATOM 927 OD1 ASP A 61 -3.438 8.815 -1.745 1.00 0.00 O ATOM 928 OD2 ASP A 61 -3.934 7.908 0.171 1.00 0.00 O1- ATOM 0 H ASP A 61 -0.452 11.193 0.974 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.703 8.393 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.560 9.685 1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.610 10.742 -0.130 1.00 0.00 H new ATOM 933 N GLN A 62 -0.551 8.778 -2.383 1.00 0.00 N ATOM 934 CA GLN A 62 -0.154 8.952 -3.778 1.00 0.00 C ATOM 935 C GLN A 62 -1.135 9.870 -4.563 1.00 0.00 C ATOM 936 O GLN A 62 -0.806 10.370 -5.628 1.00 0.00 O ATOM 937 CB GLN A 62 0.008 7.583 -4.471 1.00 0.00 C ATOM 938 CG GLN A 62 0.560 7.669 -5.892 1.00 0.00 C ATOM 939 CD GLN A 62 0.726 6.333 -6.587 1.00 0.00 C ATOM 940 OE1 GLN A 62 1.023 5.298 -5.848 1.00 0.00 O flip ATOM 941 NE2 GLN A 62 0.605 6.247 -7.802 1.00 0.00 N flip ATOM 0 H GLN A 62 -0.829 7.826 -2.144 1.00 0.00 H new ATOM 0 HA GLN A 62 0.812 9.457 -3.780 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.671 6.960 -3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.961 7.084 -4.498 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.105 8.294 -6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.527 8.171 -5.862 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.372 7.074 -8.351 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.737 5.348 -8.265 1.00 0.00 H new ATOM 950 N ARG A 63 -2.303 10.117 -4.005 1.00 0.00 N ATOM 951 CA ARG A 63 -3.335 10.957 -4.639 1.00 0.00 C ATOM 952 C ARG A 63 -2.823 12.371 -4.995 1.00 0.00 C ATOM 953 O ARG A 63 -3.052 12.862 -6.099 1.00 0.00 O ATOM 954 CB ARG A 63 -4.556 11.029 -3.719 1.00 0.00 C ATOM 955 CG ARG A 63 -5.741 11.849 -4.207 1.00 0.00 C ATOM 956 CD ARG A 63 -6.867 11.757 -3.187 1.00 0.00 C ATOM 957 NE ARG A 63 -8.069 12.524 -3.547 1.00 0.00 N ATOM 958 CZ ARG A 63 -9.231 12.459 -2.869 1.00 0.00 C ATOM 959 NH1 ARG A 63 -9.380 11.578 -1.872 1.00 0.00 N1+ ATOM 960 NH2 ARG A 63 -10.251 13.246 -3.209 1.00 0.00 N ATOM 0 H ARG A 63 -2.578 9.746 -3.096 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.611 10.493 -5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.901 10.012 -3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.234 11.436 -2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.446 12.889 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.080 11.480 -5.175 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.142 10.710 -3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.499 12.110 -2.223 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.020 13.141 -4.358 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.612 10.954 -1.624 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.261 11.531 -1.360 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.153 13.901 -3.985 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.129 13.194 -2.693 1.00 0.00 H new ATOM 974 N SER A 64 -2.083 12.990 -4.104 1.00 0.00 N ATOM 975 CA SER A 64 -1.628 14.351 -4.354 1.00 0.00 C ATOM 976 C SER A 64 -0.367 14.306 -5.187 1.00 0.00 C ATOM 977 O SER A 64 -0.031 15.244 -5.897 1.00 0.00 O ATOM 978 CB SER A 64 -1.407 15.080 -3.049 1.00 0.00 C ATOM 979 OG SER A 64 -2.552 14.960 -2.222 1.00 0.00 O ATOM 0 H SER A 64 -1.785 12.589 -3.215 1.00 0.00 H new ATOM 0 HA SER A 64 -2.390 14.901 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.536 14.670 -2.538 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.198 16.132 -3.242 1.00 0.00 H new ATOM 0 HG SER A 64 -2.297 14.557 -1.366 1.00 0.00 H new ATOM 985 N THR A 65 0.284 13.184 -5.108 1.00 0.00 N ATOM 986 CA THR A 65 1.421 12.870 -5.897 1.00 0.00 C ATOM 987 C THR A 65 1.008 12.795 -7.401 1.00 0.00 C ATOM 988 O THR A 65 1.654 13.393 -8.265 1.00 0.00 O ATOM 989 CB THR A 65 2.005 11.545 -5.356 1.00 0.00 C ATOM 990 OG1 THR A 65 2.880 11.763 -4.229 1.00 0.00 O ATOM 991 CG2 THR A 65 2.629 10.679 -6.411 1.00 0.00 C ATOM 0 H THR A 65 0.021 12.438 -4.464 1.00 0.00 H new ATOM 0 HA THR A 65 2.193 13.637 -5.833 1.00 0.00 H new ATOM 0 HB THR A 65 1.150 10.973 -4.995 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.601 11.099 -4.241 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.015 9.769 -5.953 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.880 10.419 -7.159 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.446 11.219 -6.889 1.00 0.00 H new ATOM 999 N ILE A 66 -0.108 12.113 -7.674 1.00 0.00 N ATOM 1000 CA ILE A 66 -0.674 12.019 -9.020 1.00 0.00 C ATOM 1001 C ILE A 66 -1.083 13.416 -9.492 1.00 0.00 C ATOM 1002 O ILE A 66 -0.857 13.801 -10.661 1.00 0.00 O ATOM 1003 CB ILE A 66 -1.908 11.061 -9.031 1.00 0.00 C ATOM 1004 CG1 ILE A 66 -1.469 9.640 -8.646 1.00 0.00 C ATOM 1005 CG2 ILE A 66 -2.606 11.061 -10.392 1.00 0.00 C ATOM 1006 CD1 ILE A 66 -2.604 8.646 -8.508 1.00 0.00 C ATOM 0 H ILE A 66 -0.644 11.611 -6.966 1.00 0.00 H new ATOM 0 HA ILE A 66 0.077 11.611 -9.697 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.627 11.423 -8.297 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.771 9.273 -9.399 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.926 9.685 -7.702 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.460 10.384 -10.363 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.950 12.069 -10.624 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.906 10.730 -11.160 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.202 7.670 -8.235 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.292 8.985 -7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.135 8.567 -9.456 1.00 0.00 H new ATOM 1018 N LEU A 67 -1.645 14.177 -8.561 1.00 0.00 N ATOM 1019 CA LEU A 67 -2.034 15.545 -8.809 1.00 0.00 C ATOM 1020 C LEU A 67 -0.828 16.373 -9.244 1.00 0.00 C ATOM 1021 O LEU A 67 -0.889 17.051 -10.241 1.00 0.00 O ATOM 1022 CB LEU A 67 -2.684 16.149 -7.561 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.113 17.618 -7.646 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -4.132 17.829 -8.750 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -3.676 18.066 -6.318 1.00 0.00 C ATOM 0 H LEU A 67 -1.841 13.855 -7.613 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.765 15.557 -9.617 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.562 15.553 -7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.985 16.047 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.235 18.218 -7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.417 18.880 -8.786 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.698 17.538 -9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.014 17.220 -8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.979 19.111 -6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.541 17.453 -6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.915 17.958 -5.545 1.00 0.00 H new ATOM 1037 N ALA A 68 0.275 16.264 -8.507 1.00 0.00 N ATOM 1038 CA ALA A 68 1.504 16.998 -8.810 1.00 0.00 C ATOM 1039 C ALA A 68 1.986 16.726 -10.234 1.00 0.00 C ATOM 1040 O ALA A 68 2.334 17.668 -10.974 1.00 0.00 O ATOM 1041 CB ALA A 68 2.590 16.643 -7.813 1.00 0.00 C ATOM 0 H ALA A 68 0.343 15.666 -7.684 1.00 0.00 H new ATOM 0 HA ALA A 68 1.281 18.062 -8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.498 17.197 -8.051 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.260 16.903 -6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.794 15.573 -7.863 1.00 0.00 H new ATOM 1047 N VAL A 69 1.952 15.448 -10.628 1.00 0.00 N ATOM 1048 CA VAL A 69 2.372 15.009 -11.965 1.00 0.00 C ATOM 1049 C VAL A 69 1.515 15.675 -13.047 1.00 0.00 C ATOM 1050 O VAL A 69 2.016 16.110 -14.081 1.00 0.00 O ATOM 1051 CB VAL A 69 2.259 13.453 -12.125 1.00 0.00 C ATOM 1052 CG1 VAL A 69 2.730 12.993 -13.502 1.00 0.00 C ATOM 1053 CG2 VAL A 69 3.033 12.727 -11.041 1.00 0.00 C ATOM 0 H VAL A 69 1.632 14.687 -10.028 1.00 0.00 H new ATOM 0 HA VAL A 69 3.415 15.303 -12.081 1.00 0.00 H new ATOM 0 HB VAL A 69 1.203 13.202 -12.024 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.637 11.909 -13.575 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.118 13.463 -14.272 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.772 13.278 -13.644 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.933 11.651 -11.182 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.086 13.005 -11.098 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.637 13.003 -10.064 1.00 0.00 H new ATOM 1063 N ASP A 70 0.244 15.781 -12.786 1.00 0.00 N ATOM 1064 CA ASP A 70 -0.697 16.322 -13.763 1.00 0.00 C ATOM 1065 C ASP A 70 -0.797 17.857 -13.689 1.00 0.00 C ATOM 1066 O ASP A 70 -1.201 18.511 -14.650 1.00 0.00 O ATOM 1067 CB ASP A 70 -2.079 15.673 -13.537 1.00 0.00 C ATOM 1068 CG ASP A 70 -3.161 16.141 -14.494 1.00 0.00 C ATOM 1069 OD1 ASP A 70 -3.139 15.762 -15.677 1.00 0.00 O1- ATOM 1070 OD2 ASP A 70 -4.079 16.860 -14.072 1.00 0.00 O ATOM 0 H ASP A 70 -0.181 15.501 -11.902 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.331 16.084 -14.762 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.977 14.591 -13.626 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.401 15.880 -12.516 1.00 0.00 H new ATOM 1075 N ASN A 71 -0.341 18.430 -12.604 1.00 0.00 N ATOM 1076 CA ASN A 71 -0.594 19.848 -12.350 1.00 0.00 C ATOM 1077 C ASN A 71 0.592 20.738 -12.696 1.00 0.00 C ATOM 1078 O ASN A 71 0.510 21.566 -13.603 1.00 0.00 O ATOM 1079 CB ASN A 71 -0.988 20.041 -10.872 1.00 0.00 C ATOM 1080 CG ASN A 71 -1.415 21.450 -10.520 1.00 0.00 C ATOM 1081 OD1 ASN A 71 -0.607 22.282 -10.126 1.00 0.00 O ATOM 1082 ND2 ASN A 71 -2.691 21.716 -10.631 1.00 0.00 N ATOM 0 H ASN A 71 0.202 17.954 -11.883 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.411 20.153 -13.004 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.802 19.357 -10.633 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.142 19.762 -10.243 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.042 22.642 -10.386 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.335 20.998 -10.963 1.00 0.00 H new ATOM 1089 N LEU A 72 1.710 20.510 -12.040 1.00 0.00 N ATOM 1090 CA LEU A 72 2.859 21.405 -12.163 1.00 0.00 C ATOM 1091 C LEU A 72 3.776 21.048 -13.311 1.00 0.00 C ATOM 1092 O LEU A 72 4.681 21.813 -13.644 1.00 0.00 O ATOM 1093 CB LEU A 72 3.642 21.448 -10.849 1.00 0.00 C ATOM 1094 CG LEU A 72 2.923 22.098 -9.663 1.00 0.00 C ATOM 1095 CD1 LEU A 72 3.713 21.894 -8.396 1.00 0.00 C ATOM 1096 CD2 LEU A 72 2.743 23.585 -9.904 1.00 0.00 C ATOM 0 H LEU A 72 1.855 19.717 -11.416 1.00 0.00 H new ATOM 0 HA LEU A 72 2.459 22.394 -12.384 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.907 20.427 -10.573 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.575 21.984 -11.022 1.00 0.00 H new ATOM 0 HG LEU A 72 1.945 21.628 -9.560 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.190 22.361 -7.562 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.823 20.827 -8.203 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.699 22.346 -8.505 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.231 24.032 -9.052 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.719 24.054 -10.028 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.150 23.738 -10.806 1.00 0.00 H new ATOM 1108 N ASN A 73 3.555 19.899 -13.916 1.00 0.00 N ATOM 1109 CA ASN A 73 4.410 19.458 -15.015 1.00 0.00 C ATOM 1110 C ASN A 73 4.242 20.384 -16.198 1.00 0.00 C ATOM 1111 O ASN A 73 3.166 20.423 -16.813 1.00 0.00 O ATOM 1112 CB ASN A 73 4.097 18.022 -15.432 1.00 0.00 C ATOM 1113 CG ASN A 73 5.068 17.501 -16.477 1.00 0.00 C ATOM 1114 OD1 ASN A 73 6.229 17.859 -16.486 1.00 0.00 O ATOM 1115 ND2 ASN A 73 4.606 16.650 -17.349 1.00 0.00 N ATOM 0 H ASN A 73 2.802 19.255 -13.674 1.00 0.00 H new ATOM 0 HA ASN A 73 5.443 19.487 -14.668 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.130 17.376 -14.555 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.082 17.973 -15.826 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.224 16.266 -18.064 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.626 16.368 -17.317 1.00 0.00 H new ATOM 1122 N GLY A 74 5.286 21.119 -16.512 1.00 0.00 N ATOM 1123 CA GLY A 74 5.217 22.075 -17.584 1.00 0.00 C ATOM 1124 C GLY A 74 5.269 23.514 -17.096 1.00 0.00 C ATOM 1125 O GLY A 74 5.210 24.453 -17.904 1.00 0.00 O ATOM 0 H GLY A 74 6.188 21.070 -16.039 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.043 21.900 -18.274 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.295 21.919 -18.144 1.00 0.00 H new ATOM 1129 N PHE A 75 5.368 23.712 -15.788 1.00 0.00 N ATOM 1130 CA PHE A 75 5.502 25.060 -15.267 1.00 0.00 C ATOM 1131 C PHE A 75 6.929 25.562 -15.525 1.00 0.00 C ATOM 1132 O PHE A 75 7.913 24.877 -15.209 1.00 0.00 O ATOM 1133 CB PHE A 75 5.109 25.145 -13.779 1.00 0.00 C ATOM 1134 CG PHE A 75 5.114 26.551 -13.225 1.00 0.00 C ATOM 1135 CD1 PHE A 75 4.237 27.507 -13.711 1.00 0.00 C ATOM 1136 CD2 PHE A 75 5.988 26.910 -12.222 1.00 0.00 C ATOM 1137 CE1 PHE A 75 4.242 28.798 -13.207 1.00 0.00 C ATOM 1138 CE2 PHE A 75 5.998 28.199 -11.712 1.00 0.00 C ATOM 1139 CZ PHE A 75 5.124 29.142 -12.206 1.00 0.00 C ATOM 0 H PHE A 75 5.358 22.973 -15.085 1.00 0.00 H new ATOM 0 HA PHE A 75 4.805 25.714 -15.791 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.114 24.718 -13.651 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.797 24.532 -13.196 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.540 27.243 -14.493 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.675 26.176 -11.827 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.555 29.534 -13.599 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.691 28.464 -10.927 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.130 30.147 -11.810 1.00 0.00 H new ATOM 1149 N LYS A 76 7.020 26.734 -16.107 1.00 0.00 N ATOM 1150 CA LYS A 76 8.265 27.305 -16.567 1.00 0.00 C ATOM 1151 C LYS A 76 8.925 28.099 -15.442 1.00 0.00 C ATOM 1152 O LYS A 76 8.340 29.054 -14.933 1.00 0.00 O ATOM 1153 CB LYS A 76 7.956 28.242 -17.754 1.00 0.00 C ATOM 1154 CG LYS A 76 9.156 28.690 -18.573 1.00 0.00 C ATOM 1155 CD LYS A 76 9.736 27.556 -19.413 1.00 0.00 C ATOM 1156 CE LYS A 76 8.769 27.061 -20.501 1.00 0.00 C ATOM 1157 NZ LYS A 76 8.403 28.119 -21.475 1.00 0.00 N1+ ATOM 0 H LYS A 76 6.212 27.332 -16.278 1.00 0.00 H new ATOM 0 HA LYS A 76 8.947 26.513 -16.877 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.255 27.737 -18.418 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.450 29.128 -17.371 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.861 29.511 -19.227 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.926 29.076 -17.905 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.660 27.894 -19.882 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.996 26.723 -18.760 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.226 26.227 -21.033 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.863 26.680 -20.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.862 27.699 -22.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.823 28.841 -21.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.267 28.560 -21.850 1.00 0.00 H new ATOM 1171 N ILE A 77 10.120 27.694 -15.049 1.00 0.00 N ATOM 1172 CA ILE A 77 10.876 28.391 -14.026 1.00 0.00 C ATOM 1173 C ILE A 77 12.331 28.498 -14.478 1.00 0.00 C ATOM 1174 O ILE A 77 12.995 27.483 -14.709 1.00 0.00 O ATOM 1175 CB ILE A 77 10.860 27.684 -12.634 1.00 0.00 C ATOM 1176 CG1 ILE A 77 9.436 27.309 -12.211 1.00 0.00 C ATOM 1177 CG2 ILE A 77 11.482 28.626 -11.586 1.00 0.00 C ATOM 1178 CD1 ILE A 77 9.361 26.506 -10.925 1.00 0.00 C ATOM 0 H ILE A 77 10.592 26.874 -15.430 1.00 0.00 H new ATOM 0 HA ILE A 77 10.401 29.364 -13.902 1.00 0.00 H new ATOM 0 HB ILE A 77 11.439 26.763 -12.707 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.852 28.222 -12.091 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.970 26.735 -13.012 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.475 28.140 -10.610 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.509 28.857 -11.869 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.903 29.548 -11.536 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.319 26.282 -10.696 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.915 25.575 -11.045 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.795 27.084 -10.109 1.00 0.00 H new ATOM 1190 N GLY A 78 12.807 29.706 -14.630 1.00 0.00 N ATOM 1191 CA GLY A 78 14.169 29.943 -15.025 1.00 0.00 C ATOM 1192 C GLY A 78 14.394 29.572 -16.458 1.00 0.00 C ATOM 1193 O GLY A 78 15.445 29.042 -16.815 1.00 0.00 O ATOM 0 H GLY A 78 12.260 30.554 -14.483 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.415 30.995 -14.877 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.840 29.366 -14.388 1.00 0.00 H new ATOM 1197 N GLY A 79 13.387 29.815 -17.273 1.00 0.00 N ATOM 1198 CA GLY A 79 13.487 29.536 -18.688 1.00 0.00 C ATOM 1199 C GLY A 79 13.189 28.088 -19.061 1.00 0.00 C ATOM 1200 O GLY A 79 12.943 27.791 -20.232 1.00 0.00 O ATOM 0 H GLY A 79 12.492 30.205 -16.978 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.797 30.187 -19.225 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.492 29.787 -19.027 1.00 0.00 H new ATOM 1204 N ARG A 80 13.185 27.197 -18.093 1.00 0.00 N ATOM 1205 CA ARG A 80 12.935 25.783 -18.356 1.00 0.00 C ATOM 1206 C ARG A 80 11.693 25.334 -17.620 1.00 0.00 C ATOM 1207 O ARG A 80 11.363 25.878 -16.581 1.00 0.00 O ATOM 1208 CB ARG A 80 14.142 24.923 -17.951 1.00 0.00 C ATOM 1209 CG ARG A 80 14.532 25.032 -16.482 1.00 0.00 C ATOM 1210 CD ARG A 80 15.794 24.248 -16.183 1.00 0.00 C ATOM 1211 NE ARG A 80 16.945 24.778 -16.906 1.00 0.00 N ATOM 1212 CZ ARG A 80 18.196 24.317 -16.847 1.00 0.00 C ATOM 1213 NH1 ARG A 80 18.528 23.342 -16.006 1.00 0.00 N1+ ATOM 1214 NH2 ARG A 80 19.126 24.875 -17.596 1.00 0.00 N ATOM 0 H ARG A 80 13.352 27.421 -17.112 1.00 0.00 H new ATOM 0 HA ARG A 80 12.779 25.654 -19.427 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.922 23.880 -18.179 1.00 0.00 H new ATOM 0 HB3 ARG A 80 14.997 25.209 -18.563 1.00 0.00 H new ATOM 0 HG2 ARG A 80 14.683 26.080 -16.221 1.00 0.00 H new ATOM 0 HG3 ARG A 80 13.717 24.663 -15.860 1.00 0.00 H new ATOM 0 HD2 ARG A 80 15.994 24.275 -15.112 1.00 0.00 H new ATOM 0 HD3 ARG A 80 15.645 23.203 -16.453 1.00 0.00 H new ATOM 0 HE ARG A 80 16.777 25.578 -17.516 1.00 0.00 H new ATOM 0 HH11 ARG A 80 17.822 22.935 -15.393 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.489 23.001 -15.974 1.00 0.00 H new ATOM 0 HH21 ARG A 80 18.886 25.651 -18.213 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.085 24.531 -17.559 1.00 0.00 H new ATOM 1228 N ALA A 81 10.990 24.390 -18.165 1.00 0.00 N ATOM 1229 CA ALA A 81 9.799 23.898 -17.526 1.00 0.00 C ATOM 1230 C ALA A 81 10.114 22.637 -16.792 1.00 0.00 C ATOM 1231 O ALA A 81 10.644 21.686 -17.386 1.00 0.00 O ATOM 1232 CB ALA A 81 8.693 23.666 -18.528 1.00 0.00 C ATOM 0 H ALA A 81 11.217 23.941 -19.052 1.00 0.00 H new ATOM 0 HA ALA A 81 9.447 24.650 -16.820 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.807 23.294 -18.013 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.454 24.604 -19.030 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.018 22.932 -19.266 1.00 0.00 H new ATOM 1238 N LEU A 82 9.816 22.617 -15.524 1.00 0.00 N ATOM 1239 CA LEU A 82 10.092 21.459 -14.728 1.00 0.00 C ATOM 1240 C LEU A 82 9.170 20.299 -15.059 1.00 0.00 C ATOM 1241 O LEU A 82 7.975 20.479 -15.380 1.00 0.00 O ATOM 1242 CB LEU A 82 10.203 21.769 -13.218 1.00 0.00 C ATOM 1243 CG LEU A 82 9.144 22.685 -12.573 1.00 0.00 C ATOM 1244 CD1 LEU A 82 7.760 22.078 -12.620 1.00 0.00 C ATOM 1245 CD2 LEU A 82 9.531 22.991 -11.142 1.00 0.00 C ATOM 0 H LEU A 82 9.382 23.391 -15.021 1.00 0.00 H new ATOM 0 HA LEU A 82 11.091 21.123 -15.007 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.189 20.819 -12.683 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.180 22.219 -13.043 1.00 0.00 H new ATOM 0 HG LEU A 82 9.112 23.609 -13.150 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.048 22.759 -12.154 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.473 21.907 -13.657 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.760 21.130 -12.082 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.779 23.639 -10.692 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.595 22.062 -10.576 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.498 23.493 -11.126 1.00 0.00 H new ATOM 1257 N LYS A 83 9.738 19.146 -15.006 1.00 0.00 N ATOM 1258 CA LYS A 83 9.106 17.927 -15.388 1.00 0.00 C ATOM 1259 C LYS A 83 8.839 17.054 -14.173 1.00 0.00 C ATOM 1260 O LYS A 83 9.750 16.742 -13.427 1.00 0.00 O ATOM 1261 CB LYS A 83 10.025 17.224 -16.419 1.00 0.00 C ATOM 1262 CG LYS A 83 9.798 15.734 -16.636 1.00 0.00 C ATOM 1263 CD LYS A 83 8.387 15.392 -17.050 1.00 0.00 C ATOM 1264 CE LYS A 83 8.269 13.908 -17.227 1.00 0.00 C ATOM 1265 NZ LYS A 83 6.880 13.448 -17.337 1.00 0.00 N1+ ATOM 0 H LYS A 83 10.697 19.018 -14.682 1.00 0.00 H new ATOM 0 HA LYS A 83 8.134 18.122 -15.842 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.908 17.729 -17.378 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.059 17.368 -16.106 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.489 15.377 -17.400 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.037 15.201 -15.716 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.680 15.737 -16.295 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.135 15.902 -17.980 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.815 13.611 -18.122 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.745 13.409 -16.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.861 12.409 -17.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.343 13.762 -16.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.450 13.846 -18.196 1.00 0.00 H new ATOM 1279 N ILE A 84 7.591 16.688 -13.978 1.00 0.00 N ATOM 1280 CA ILE A 84 7.224 15.782 -12.905 1.00 0.00 C ATOM 1281 C ILE A 84 6.765 14.459 -13.522 1.00 0.00 C ATOM 1282 O ILE A 84 6.113 14.450 -14.584 1.00 0.00 O ATOM 1283 CB ILE A 84 6.092 16.322 -11.931 1.00 0.00 C ATOM 1284 CG1 ILE A 84 6.461 17.642 -11.253 1.00 0.00 C ATOM 1285 CG2 ILE A 84 5.780 15.311 -10.852 1.00 0.00 C ATOM 1286 CD1 ILE A 84 6.233 18.856 -12.093 1.00 0.00 C ATOM 0 H ILE A 84 6.808 17.004 -14.550 1.00 0.00 H new ATOM 0 HA ILE A 84 8.113 15.665 -12.286 1.00 0.00 H new ATOM 0 HB ILE A 84 5.221 16.492 -12.564 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.882 17.738 -10.334 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.512 17.607 -10.966 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.002 15.705 -10.198 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.434 14.385 -11.310 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.679 15.113 -10.268 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.522 19.745 -11.533 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.833 18.788 -13.001 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.178 18.921 -12.359 1.00 0.00 H new ATOM 1298 N ASP A 85 7.145 13.367 -12.908 1.00 0.00 N ATOM 1299 CA ASP A 85 6.759 12.040 -13.346 1.00 0.00 C ATOM 1300 C ASP A 85 6.752 11.150 -12.107 1.00 0.00 C ATOM 1301 O ASP A 85 7.020 11.645 -11.024 1.00 0.00 O ATOM 1302 CB ASP A 85 7.788 11.513 -14.349 1.00 0.00 C ATOM 1303 CG ASP A 85 7.181 10.581 -15.357 1.00 0.00 C ATOM 1304 OD1 ASP A 85 6.563 9.596 -14.965 1.00 0.00 O1- ATOM 1305 OD2 ASP A 85 7.269 10.872 -16.572 1.00 0.00 O ATOM 0 H ASP A 85 7.739 13.370 -12.079 1.00 0.00 H new ATOM 0 HA ASP A 85 5.781 12.053 -13.827 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.249 12.354 -14.867 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.582 10.995 -13.812 1.00 0.00 H new ATOM 1310 N HIS A 86 6.482 9.878 -12.242 1.00 0.00 N ATOM 1311 CA HIS A 86 6.510 8.971 -11.090 1.00 0.00 C ATOM 1312 C HIS A 86 7.846 8.270 -11.009 1.00 0.00 C ATOM 1313 O HIS A 86 8.425 7.928 -12.035 1.00 0.00 O ATOM 1314 CB HIS A 86 5.388 7.918 -11.132 1.00 0.00 C ATOM 1315 CG HIS A 86 4.024 8.412 -10.753 1.00 0.00 C ATOM 1316 ND1 HIS A 86 3.491 8.288 -9.482 1.00 0.00 N ATOM 1317 CD2 HIS A 86 3.057 8.994 -11.501 1.00 0.00 C ATOM 1318 CE1 HIS A 86 2.258 8.778 -9.497 1.00 0.00 C ATOM 1319 NE2 HIS A 86 1.934 9.221 -10.699 1.00 0.00 N ATOM 0 H HIS A 86 6.240 9.434 -13.128 1.00 0.00 H new ATOM 0 HA HIS A 86 6.351 9.588 -10.206 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.339 7.505 -12.140 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.657 7.099 -10.465 1.00 0.00 H new ATOM 0 HD1 HIS A 86 3.965 7.888 -8.672 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.140 9.243 -12.549 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.604 8.811 -8.638 1.00 0.00 H new ATOM 1327 N THR A 87 8.368 8.116 -9.811 1.00 0.00 N ATOM 1328 CA THR A 87 9.605 7.406 -9.609 1.00 0.00 C ATOM 1329 C THR A 87 9.592 6.793 -8.207 1.00 0.00 C ATOM 1330 O THR A 87 8.792 7.189 -7.365 1.00 0.00 O ATOM 1331 CB THR A 87 10.840 8.347 -9.787 1.00 0.00 C ATOM 1332 OG1 THR A 87 12.048 7.580 -9.903 1.00 0.00 O ATOM 1333 CG2 THR A 87 10.984 9.316 -8.616 1.00 0.00 C ATOM 0 H THR A 87 7.947 8.479 -8.956 1.00 0.00 H new ATOM 0 HA THR A 87 9.692 6.620 -10.359 1.00 0.00 H new ATOM 0 HB THR A 87 10.674 8.919 -10.700 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.810 8.185 -10.015 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.854 9.953 -8.776 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.089 9.934 -8.543 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.112 8.753 -7.691 1.00 0.00 H new ATOM 1341 N PHE A 88 10.406 5.815 -7.967 1.00 0.00 N ATOM 1342 CA PHE A 88 10.519 5.283 -6.646 1.00 0.00 C ATOM 1343 C PHE A 88 11.920 4.787 -6.441 1.00 0.00 C ATOM 1344 O PHE A 88 12.511 4.176 -7.337 1.00 0.00 O ATOM 1345 CB PHE A 88 9.499 4.170 -6.394 1.00 0.00 C ATOM 1346 CG PHE A 88 9.367 3.795 -4.948 1.00 0.00 C ATOM 1347 CD1 PHE A 88 8.608 4.577 -4.092 1.00 0.00 C ATOM 1348 CD2 PHE A 88 9.997 2.674 -4.442 1.00 0.00 C ATOM 1349 CE1 PHE A 88 8.484 4.249 -2.758 1.00 0.00 C ATOM 1350 CE2 PHE A 88 9.875 2.341 -3.114 1.00 0.00 C ATOM 1351 CZ PHE A 88 9.119 3.129 -2.269 1.00 0.00 C ATOM 0 H PHE A 88 11.001 5.369 -8.666 1.00 0.00 H new ATOM 0 HA PHE A 88 10.302 6.073 -5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.526 4.488 -6.769 1.00 0.00 H new ATOM 0 HB3 PHE A 88 9.788 3.288 -6.965 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.107 5.454 -4.474 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.591 2.053 -5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.892 4.868 -2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.371 1.462 -2.731 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.026 2.867 -1.225 1.00 0.00 H new ATOM 1361 N TYR A 89 12.459 5.085 -5.309 1.00 0.00 N ATOM 1362 CA TYR A 89 13.775 4.673 -4.945 1.00 0.00 C ATOM 1363 C TYR A 89 13.750 4.541 -3.445 1.00 0.00 C ATOM 1364 O TYR A 89 12.830 5.078 -2.805 1.00 0.00 O ATOM 1365 CB TYR A 89 14.840 5.718 -5.396 1.00 0.00 C ATOM 1366 CG TYR A 89 14.902 6.984 -4.559 1.00 0.00 C ATOM 1367 CD1 TYR A 89 13.950 7.991 -4.682 1.00 0.00 C ATOM 1368 CD2 TYR A 89 15.918 7.155 -3.628 1.00 0.00 C ATOM 1369 CE1 TYR A 89 14.021 9.123 -3.899 1.00 0.00 C ATOM 1370 CE2 TYR A 89 15.986 8.278 -2.851 1.00 0.00 C ATOM 1371 CZ TYR A 89 15.042 9.252 -2.988 1.00 0.00 C ATOM 1372 OH TYR A 89 15.120 10.363 -2.210 1.00 0.00 O ATOM 0 H TYR A 89 11.987 5.635 -4.592 1.00 0.00 H new ATOM 0 HA TYR A 89 14.050 3.736 -5.430 1.00 0.00 H new ATOM 0 HB2 TYR A 89 15.821 5.243 -5.380 1.00 0.00 H new ATOM 0 HB3 TYR A 89 14.637 5.996 -6.430 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.148 7.885 -5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 89 16.669 6.387 -3.516 1.00 0.00 H new ATOM 0 HE1 TYR A 89 13.280 9.902 -4.000 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.784 8.393 -2.132 1.00 0.00 H new ATOM 0 HH TYR A 89 14.270 10.494 -1.740 1.00 0.00 H new ATOM 1382 N ARG A 90 14.673 3.831 -2.886 1.00 0.00 N ATOM 1383 CA ARG A 90 14.727 3.699 -1.457 1.00 0.00 C ATOM 1384 C ARG A 90 15.514 4.854 -0.877 1.00 0.00 C ATOM 1385 O ARG A 90 16.677 5.066 -1.272 1.00 0.00 O ATOM 1386 CB ARG A 90 15.334 2.363 -1.046 1.00 0.00 C ATOM 1387 CG ARG A 90 14.520 1.154 -1.490 1.00 0.00 C ATOM 1388 CD ARG A 90 13.131 1.148 -0.864 1.00 0.00 C ATOM 1389 NE ARG A 90 12.340 0.014 -1.330 1.00 0.00 N ATOM 1390 CZ ARG A 90 11.044 -0.202 -1.070 1.00 0.00 C ATOM 1391 NH1 ARG A 90 10.373 0.583 -0.225 1.00 0.00 N1+ ATOM 1392 NH2 ARG A 90 10.429 -1.227 -1.636 1.00 0.00 N ATOM 0 H ARG A 90 15.404 3.330 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 90 13.711 3.724 -1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 90 16.338 2.287 -1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 90 15.438 2.340 0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.429 1.156 -2.576 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.047 0.240 -1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.220 1.109 0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.616 2.077 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 90 12.818 -0.678 -1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.847 1.361 0.234 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.386 0.405 -0.038 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.942 -1.845 -2.265 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.442 -1.399 -1.444 1.00 0.00 H new ATOM 1406 N PRO A 91 14.869 5.654 0.021 1.00 0.00 N ATOM 1407 CA PRO A 91 15.497 6.811 0.674 1.00 0.00 C ATOM 1408 C PRO A 91 16.862 6.449 1.216 1.00 0.00 C ATOM 1409 O PRO A 91 17.020 5.417 1.900 1.00 0.00 O ATOM 1410 CB PRO A 91 14.541 7.130 1.821 1.00 0.00 C ATOM 1411 CG PRO A 91 13.213 6.677 1.337 1.00 0.00 C ATOM 1412 CD PRO A 91 13.469 5.475 0.470 1.00 0.00 C ATOM 0 HA PRO A 91 15.652 7.648 -0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 91 14.829 6.609 2.734 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.537 8.196 2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 91 12.561 6.422 2.172 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.715 7.465 0.772 1.00 0.00 H new ATOM 0 HD2 PRO A 91 13.343 4.546 1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 91 12.780 5.437 -0.374 1.00 0.00 H new ATOM 1420 N LYS A 92 17.844 7.263 0.908 1.00 0.00 N ATOM 1421 CA LYS A 92 19.197 6.944 1.262 1.00 0.00 C ATOM 1422 C LYS A 92 19.357 7.004 2.765 1.00 0.00 C ATOM 1423 O LYS A 92 18.847 7.917 3.420 1.00 0.00 O ATOM 1424 CB LYS A 92 20.165 7.917 0.588 1.00 0.00 C ATOM 1425 CG LYS A 92 19.845 8.168 -0.884 1.00 0.00 C ATOM 1426 CD LYS A 92 20.929 8.958 -1.585 1.00 0.00 C ATOM 1427 CE LYS A 92 22.154 8.101 -1.853 1.00 0.00 C ATOM 1428 NZ LYS A 92 21.851 6.956 -2.749 1.00 0.00 N1+ ATOM 0 H LYS A 92 17.727 8.148 0.414 1.00 0.00 H new ATOM 0 HA LYS A 92 19.426 5.935 0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 92 20.146 8.866 1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 92 21.179 7.525 0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 92 19.710 7.213 -1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 92 18.900 8.706 -0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 92 20.544 9.350 -2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 92 21.210 9.815 -0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 92 22.934 8.715 -2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 92 22.548 7.727 -0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 22.731 6.616 -3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 21.420 6.187 -2.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 21.190 7.262 -3.491 1.00 0.00 H new ATOM 1442 N ARG A 93 20.064 6.053 3.299 1.00 0.00 N ATOM 1443 CA ARG A 93 20.282 5.977 4.714 1.00 0.00 C ATOM 1444 C ARG A 93 21.397 6.929 5.082 1.00 0.00 C ATOM 1445 O ARG A 93 21.321 7.644 6.073 1.00 0.00 O ATOM 1446 CB ARG A 93 20.629 4.548 5.128 1.00 0.00 C ATOM 1447 CG ARG A 93 20.630 4.323 6.628 1.00 0.00 C ATOM 1448 CD ARG A 93 19.236 4.510 7.190 1.00 0.00 C ATOM 1449 NE ARG A 93 19.174 4.304 8.629 1.00 0.00 N ATOM 1450 CZ ARG A 93 18.075 3.924 9.287 1.00 0.00 C ATOM 1451 NH1 ARG A 93 16.944 3.673 8.621 1.00 0.00 N1+ ATOM 1452 NH2 ARG A 93 18.104 3.800 10.604 1.00 0.00 N ATOM 0 H ARG A 93 20.507 5.306 2.765 1.00 0.00 H new ATOM 0 HA ARG A 93 19.372 6.260 5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 93 19.915 3.864 4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 93 21.613 4.295 4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 93 20.987 3.318 6.851 1.00 0.00 H new ATOM 0 HG3 ARG A 93 21.318 5.020 7.106 1.00 0.00 H new ATOM 0 HD2 ARG A 93 18.887 5.516 6.957 1.00 0.00 H new ATOM 0 HD3 ARG A 93 18.555 3.815 6.699 1.00 0.00 H new ATOM 0 HE ARG A 93 20.024 4.460 9.170 1.00 0.00 H new ATOM 0 HH11 ARG A 93 16.917 3.771 7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 93 16.107 3.383 9.128 1.00 0.00 H new ATOM 0 HH21 ARG A 93 18.965 3.994 11.116 1.00 0.00 H new ATOM 0 HH22 ARG A 93 17.266 3.510 11.108 1.00 0.00 H new ATOM 1466 N SER A 94 22.401 6.967 4.226 1.00 0.00 N ATOM 1467 CA SER A 94 23.566 7.809 4.380 1.00 0.00 C ATOM 1468 C SER A 94 23.163 9.274 4.538 1.00 0.00 C ATOM 1469 O SER A 94 23.755 10.016 5.322 1.00 0.00 O ATOM 1470 CB SER A 94 24.427 7.645 3.139 1.00 0.00 C ATOM 1471 OG SER A 94 24.635 6.269 2.864 1.00 0.00 O ATOM 0 H SER A 94 22.426 6.396 3.381 1.00 0.00 H new ATOM 0 HA SER A 94 24.115 7.516 5.275 1.00 0.00 H new ATOM 0 HB2 SER A 94 23.945 8.124 2.287 1.00 0.00 H new ATOM 0 HB3 SER A 94 25.386 8.143 3.284 1.00 0.00 H new ATOM 0 HG SER A 94 25.190 6.176 2.061 1.00 0.00 H new ATOM 1477 N LEU A 95 22.130 9.667 3.823 1.00 0.00 N ATOM 1478 CA LEU A 95 21.674 11.033 3.842 1.00 0.00 C ATOM 1479 C LEU A 95 20.325 11.166 4.535 1.00 0.00 C ATOM 1480 O LEU A 95 19.677 12.194 4.390 1.00 0.00 O ATOM 1481 CB LEU A 95 21.573 11.589 2.413 1.00 0.00 C ATOM 1482 CG LEU A 95 22.860 11.599 1.580 1.00 0.00 C ATOM 1483 CD1 LEU A 95 22.595 12.211 0.217 1.00 0.00 C ATOM 1484 CD2 LEU A 95 23.966 12.359 2.295 1.00 0.00 C ATOM 0 H LEU A 95 21.589 9.050 3.217 1.00 0.00 H new ATOM 0 HA LEU A 95 22.408 11.610 4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 95 20.825 11.007 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 95 21.199 12.611 2.472 1.00 0.00 H new ATOM 0 HG LEU A 95 23.190 10.569 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 95 23.516 12.213 -0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 95 21.837 11.626 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 95 22.241 13.235 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 95 24.868 12.351 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 95 23.650 13.389 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 95 24.174 11.883 3.253 1.00 0.00 H new ATOM 1496 N GLN A 96 19.926 10.157 5.336 1.00 0.00 N ATOM 1497 CA GLN A 96 18.579 10.153 5.973 1.00 0.00 C ATOM 1498 C GLN A 96 18.340 11.391 6.816 1.00 0.00 C ATOM 1499 O GLN A 96 17.217 11.853 6.931 1.00 0.00 O ATOM 1500 CB GLN A 96 18.336 8.919 6.850 1.00 0.00 C ATOM 1501 CG GLN A 96 19.262 8.812 8.056 1.00 0.00 C ATOM 1502 CD GLN A 96 18.864 7.724 9.023 1.00 0.00 C ATOM 1503 OE1 GLN A 96 17.582 7.518 9.204 1.00 0.00 O flip ATOM 1504 NE2 GLN A 96 19.719 7.116 9.660 1.00 0.00 N flip ATOM 0 H GLN A 96 20.501 9.344 5.559 1.00 0.00 H new ATOM 0 HA GLN A 96 17.878 10.136 5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.304 8.934 7.200 1.00 0.00 H new ATOM 0 HB3 GLN A 96 18.452 8.025 6.238 1.00 0.00 H new ATOM 0 HG2 GLN A 96 20.278 8.625 7.709 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.275 9.767 8.581 1.00 0.00 H new ATOM 0 HE21 GLN A 96 20.708 7.302 9.493 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.441 6.425 10.356 1.00 0.00 H new ATOM 1513 N LYS A 97 19.410 11.932 7.373 1.00 0.00 N ATOM 1514 CA LYS A 97 19.314 13.092 8.224 1.00 0.00 C ATOM 1515 C LYS A 97 18.839 14.304 7.443 1.00 0.00 C ATOM 1516 O LYS A 97 18.143 15.138 7.977 1.00 0.00 O ATOM 1517 CB LYS A 97 20.638 13.373 8.915 1.00 0.00 C ATOM 1518 CG LYS A 97 21.169 12.218 9.765 1.00 0.00 C ATOM 1519 CD LYS A 97 20.214 11.822 10.898 1.00 0.00 C ATOM 1520 CE LYS A 97 20.014 12.951 11.902 1.00 0.00 C ATOM 1521 NZ LYS A 97 19.084 12.574 12.986 1.00 0.00 N1+ ATOM 0 H LYS A 97 20.359 11.579 7.246 1.00 0.00 H new ATOM 0 HA LYS A 97 18.573 12.880 8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 97 21.382 13.622 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 97 20.522 14.251 9.550 1.00 0.00 H new ATOM 0 HG2 LYS A 97 21.344 11.353 9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 97 22.132 12.500 10.190 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.250 11.538 10.476 1.00 0.00 H new ATOM 0 HD3 LYS A 97 20.607 10.945 11.413 1.00 0.00 H new ATOM 0 HE2 LYS A 97 20.977 13.228 12.331 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.630 13.831 11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.030 13.346 13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.139 12.400 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.427 11.711 13.453 1.00 0.00 H new ATOM 1535 N TYR A 98 19.198 14.368 6.163 1.00 0.00 N ATOM 1536 CA TYR A 98 18.750 15.438 5.293 1.00 0.00 C ATOM 1537 C TYR A 98 17.238 15.279 5.097 1.00 0.00 C ATOM 1538 O TYR A 98 16.495 16.227 5.224 1.00 0.00 O ATOM 1539 CB TYR A 98 19.512 15.370 3.934 1.00 0.00 C ATOM 1540 CG TYR A 98 19.215 16.486 2.925 1.00 0.00 C ATOM 1541 CD1 TYR A 98 18.057 16.484 2.144 1.00 0.00 C ATOM 1542 CD2 TYR A 98 20.106 17.536 2.751 1.00 0.00 C ATOM 1543 CE1 TYR A 98 17.805 17.496 1.231 1.00 0.00 C ATOM 1544 CE2 TYR A 98 19.861 18.542 1.846 1.00 0.00 C ATOM 1545 CZ TYR A 98 18.718 18.523 1.089 1.00 0.00 C ATOM 1546 OH TYR A 98 18.486 19.546 0.199 1.00 0.00 O ATOM 0 H TYR A 98 19.802 13.683 5.708 1.00 0.00 H new ATOM 0 HA TYR A 98 18.958 16.413 5.733 1.00 0.00 H new ATOM 0 HB2 TYR A 98 20.582 15.375 4.142 1.00 0.00 H new ATOM 0 HB3 TYR A 98 19.283 14.414 3.462 1.00 0.00 H new ATOM 0 HD1 TYR A 98 17.345 15.679 2.253 1.00 0.00 H new ATOM 0 HD2 TYR A 98 21.011 17.564 3.339 1.00 0.00 H new ATOM 0 HE1 TYR A 98 16.904 17.482 0.636 1.00 0.00 H new ATOM 0 HE2 TYR A 98 20.570 19.348 1.731 1.00 0.00 H new ATOM 0 HH TYR A 98 18.004 20.270 0.651 1.00 0.00 H new ATOM 1556 N TYR A 99 16.813 14.035 4.867 1.00 0.00 N ATOM 1557 CA TYR A 99 15.393 13.691 4.654 1.00 0.00 C ATOM 1558 C TYR A 99 14.551 14.079 5.854 1.00 0.00 C ATOM 1559 O TYR A 99 13.555 14.805 5.725 1.00 0.00 O ATOM 1560 CB TYR A 99 15.207 12.181 4.418 1.00 0.00 C ATOM 1561 CG TYR A 99 15.742 11.629 3.117 1.00 0.00 C ATOM 1562 CD1 TYR A 99 17.099 11.568 2.862 1.00 0.00 C ATOM 1563 CD2 TYR A 99 14.875 11.146 2.151 1.00 0.00 C ATOM 1564 CE1 TYR A 99 17.582 11.047 1.685 1.00 0.00 C ATOM 1565 CE2 TYR A 99 15.350 10.614 0.976 1.00 0.00 C ATOM 1566 CZ TYR A 99 16.705 10.569 0.748 1.00 0.00 C ATOM 1567 OH TYR A 99 17.184 10.017 -0.413 1.00 0.00 O ATOM 0 H TYR A 99 17.440 13.231 4.822 1.00 0.00 H new ATOM 0 HA TYR A 99 15.071 14.245 3.772 1.00 0.00 H new ATOM 0 HB2 TYR A 99 15.687 11.646 5.238 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.142 11.956 4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 99 17.794 11.937 3.602 1.00 0.00 H new ATOM 0 HD2 TYR A 99 13.810 11.188 2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 99 18.646 11.015 1.501 1.00 0.00 H new ATOM 0 HE2 TYR A 99 14.662 10.233 0.236 1.00 0.00 H new ATOM 0 HH TYR A 99 16.468 9.990 -1.082 1.00 0.00 H new ATOM 1577 N GLU A 100 14.951 13.596 7.022 1.00 0.00 N ATOM 1578 CA GLU A 100 14.215 13.868 8.234 1.00 0.00 C ATOM 1579 C GLU A 100 14.213 15.341 8.587 1.00 0.00 C ATOM 1580 O GLU A 100 13.167 15.880 8.886 1.00 0.00 O ATOM 1581 CB GLU A 100 14.649 12.987 9.402 1.00 0.00 C ATOM 1582 CG GLU A 100 16.124 12.969 9.667 1.00 0.00 C ATOM 1583 CD GLU A 100 16.484 12.089 10.812 1.00 0.00 C ATOM 1584 OE1 GLU A 100 16.646 10.871 10.613 1.00 0.00 O1- ATOM 1585 OE2 GLU A 100 16.643 12.600 11.941 1.00 0.00 O ATOM 0 H GLU A 100 15.780 13.016 7.149 1.00 0.00 H new ATOM 0 HA GLU A 100 13.180 13.598 8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.137 13.326 10.303 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.317 11.967 9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.647 12.629 8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.466 13.984 9.870 1.00 0.00 H new ATOM 1592 N ALA A 101 15.370 16.004 8.466 1.00 0.00 N ATOM 1593 CA ALA A 101 15.480 17.443 8.759 1.00 0.00 C ATOM 1594 C ALA A 101 14.556 18.242 7.852 1.00 0.00 C ATOM 1595 O ALA A 101 14.041 19.298 8.233 1.00 0.00 O ATOM 1596 CB ALA A 101 16.912 17.918 8.588 1.00 0.00 C ATOM 0 H ALA A 101 16.243 15.570 8.168 1.00 0.00 H new ATOM 0 HA ALA A 101 15.182 17.602 9.795 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.971 18.984 8.809 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.561 17.369 9.270 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.233 17.742 7.561 1.00 0.00 H new ATOM 1602 N VAL A 102 14.352 17.730 6.655 1.00 0.00 N ATOM 1603 CA VAL A 102 13.437 18.324 5.726 1.00 0.00 C ATOM 1604 C VAL A 102 11.987 18.164 6.208 1.00 0.00 C ATOM 1605 O VAL A 102 11.261 19.153 6.396 1.00 0.00 O ATOM 1606 CB VAL A 102 13.599 17.730 4.283 1.00 0.00 C ATOM 1607 CG1 VAL A 102 12.419 18.082 3.395 1.00 0.00 C ATOM 1608 CG2 VAL A 102 14.865 18.254 3.636 1.00 0.00 C ATOM 0 H VAL A 102 14.819 16.892 6.308 1.00 0.00 H new ATOM 0 HA VAL A 102 13.676 19.386 5.676 1.00 0.00 H new ATOM 0 HB VAL A 102 13.650 16.646 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.568 17.653 2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.504 17.681 3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 102 12.336 19.166 3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.963 17.833 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 102 14.816 19.341 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 102 15.727 17.966 4.237 1.00 0.00 H new ATOM 1618 N LYS A 103 11.587 16.931 6.458 1.00 0.00 N ATOM 1619 CA LYS A 103 10.203 16.659 6.780 1.00 0.00 C ATOM 1620 C LYS A 103 9.808 17.115 8.160 1.00 0.00 C ATOM 1621 O LYS A 103 8.644 17.284 8.398 1.00 0.00 O ATOM 1622 CB LYS A 103 9.822 15.205 6.568 1.00 0.00 C ATOM 1623 CG LYS A 103 10.481 14.228 7.516 1.00 0.00 C ATOM 1624 CD LYS A 103 10.067 12.798 7.205 1.00 0.00 C ATOM 1625 CE LYS A 103 10.418 12.414 5.767 1.00 0.00 C ATOM 1626 NZ LYS A 103 10.070 11.022 5.445 1.00 0.00 N1+ ATOM 0 H LYS A 103 12.195 16.112 6.444 1.00 0.00 H new ATOM 0 HA LYS A 103 9.634 17.258 6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 103 8.741 15.110 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.075 14.924 5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.565 14.320 7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.209 14.473 8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.562 12.116 7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.994 12.686 7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.897 13.081 5.081 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.486 12.563 5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.235 10.848 4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.661 10.377 6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.068 10.855 5.666 1.00 0.00 H new ATOM 1640 N GLU A 104 10.771 17.317 9.061 1.00 0.00 N ATOM 1641 CA GLU A 104 10.470 17.821 10.411 1.00 0.00 C ATOM 1642 C GLU A 104 9.640 19.099 10.342 1.00 0.00 C ATOM 1643 O GLU A 104 8.688 19.269 11.080 1.00 0.00 O ATOM 1644 CB GLU A 104 11.753 18.060 11.223 1.00 0.00 C ATOM 1645 CG GLU A 104 12.451 16.790 11.687 1.00 0.00 C ATOM 1646 CD GLU A 104 11.633 16.010 12.687 1.00 0.00 C ATOM 1647 OE1 GLU A 104 10.796 15.173 12.288 1.00 0.00 O ATOM 1648 OE2 GLU A 104 11.800 16.227 13.907 1.00 0.00 O1- ATOM 0 H GLU A 104 11.761 17.142 8.887 1.00 0.00 H new ATOM 0 HA GLU A 104 9.887 17.055 10.922 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.448 18.641 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.508 18.665 12.096 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.660 16.159 10.823 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.411 17.050 12.132 1.00 0.00 H new ATOM 1655 N GLU A 105 9.980 19.949 9.405 1.00 0.00 N ATOM 1656 CA GLU A 105 9.267 21.190 9.196 1.00 0.00 C ATOM 1657 C GLU A 105 7.942 20.938 8.490 1.00 0.00 C ATOM 1658 O GLU A 105 6.887 21.426 8.914 1.00 0.00 O ATOM 1659 CB GLU A 105 10.109 22.134 8.342 1.00 0.00 C ATOM 1660 CG GLU A 105 11.401 22.563 8.990 1.00 0.00 C ATOM 1661 CD GLU A 105 11.160 23.320 10.267 1.00 0.00 C ATOM 1662 OE1 GLU A 105 10.792 24.513 10.195 1.00 0.00 O1- ATOM 1663 OE2 GLU A 105 11.303 22.740 11.364 1.00 0.00 O ATOM 0 H GLU A 105 10.759 19.802 8.764 1.00 0.00 H new ATOM 0 HA GLU A 105 9.074 21.639 10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.335 21.645 7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.519 23.021 8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.013 21.685 9.198 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.965 23.188 8.298 1.00 0.00 H new ATOM 1670 N LEU A 106 8.008 20.151 7.436 1.00 0.00 N ATOM 1671 CA LEU A 106 6.868 19.894 6.552 1.00 0.00 C ATOM 1672 C LEU A 106 5.750 19.190 7.295 1.00 0.00 C ATOM 1673 O LEU A 106 4.584 19.588 7.220 1.00 0.00 O ATOM 1674 CB LEU A 106 7.308 19.032 5.367 1.00 0.00 C ATOM 1675 CG LEU A 106 8.556 19.497 4.614 1.00 0.00 C ATOM 1676 CD1 LEU A 106 8.799 18.640 3.387 1.00 0.00 C ATOM 1677 CD2 LEU A 106 8.473 20.968 4.246 1.00 0.00 C ATOM 0 H LEU A 106 8.859 19.662 7.158 1.00 0.00 H new ATOM 0 HA LEU A 106 6.498 20.854 6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.485 18.019 5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.482 18.978 4.658 1.00 0.00 H new ATOM 0 HG LEU A 106 9.407 19.378 5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.692 18.991 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.939 17.602 3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.941 18.710 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.377 21.261 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.605 21.135 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.377 21.565 5.153 1.00 0.00 H new ATOM 1689 N ASP A 107 6.140 18.187 8.057 1.00 0.00 N ATOM 1690 CA ASP A 107 5.249 17.337 8.844 1.00 0.00 C ATOM 1691 C ASP A 107 4.323 18.136 9.726 1.00 0.00 C ATOM 1692 O ASP A 107 3.160 17.808 9.847 1.00 0.00 O ATOM 1693 CB ASP A 107 6.087 16.363 9.685 1.00 0.00 C ATOM 1694 CG ASP A 107 5.314 15.609 10.731 1.00 0.00 C ATOM 1695 OD1 ASP A 107 4.802 14.516 10.433 1.00 0.00 O ATOM 1696 OD2 ASP A 107 5.271 16.060 11.896 1.00 0.00 O1- ATOM 0 H ASP A 107 7.122 17.927 8.153 1.00 0.00 H new ATOM 0 HA ASP A 107 4.618 16.780 8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.563 15.645 9.017 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.885 16.921 10.175 1.00 0.00 H new ATOM 1701 N ARG A 108 4.812 19.245 10.241 1.00 0.00 N ATOM 1702 CA ARG A 108 4.052 20.039 11.202 1.00 0.00 C ATOM 1703 C ARG A 108 2.893 20.779 10.536 1.00 0.00 C ATOM 1704 O ARG A 108 1.961 21.236 11.206 1.00 0.00 O ATOM 1705 CB ARG A 108 4.954 21.040 11.932 1.00 0.00 C ATOM 1706 CG ARG A 108 6.253 20.460 12.472 1.00 0.00 C ATOM 1707 CD ARG A 108 6.056 19.128 13.188 1.00 0.00 C ATOM 1708 NE ARG A 108 5.172 19.209 14.358 1.00 0.00 N ATOM 1709 CZ ARG A 108 4.667 18.139 14.993 1.00 0.00 C ATOM 1710 NH1 ARG A 108 4.699 16.928 14.406 1.00 0.00 N1+ ATOM 1711 NH2 ARG A 108 4.057 18.291 16.172 1.00 0.00 N ATOM 0 H ARG A 108 5.732 19.623 10.014 1.00 0.00 H new ATOM 0 HA ARG A 108 3.639 19.340 11.929 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.194 21.855 11.249 1.00 0.00 H new ATOM 0 HB3 ARG A 108 4.394 21.473 12.761 1.00 0.00 H new ATOM 0 HG2 ARG A 108 6.954 20.324 11.649 1.00 0.00 H new ATOM 0 HG3 ARG A 108 6.705 21.174 13.161 1.00 0.00 H new ATOM 0 HD2 ARG A 108 5.645 18.405 12.483 1.00 0.00 H new ATOM 0 HD3 ARG A 108 7.028 18.749 13.504 1.00 0.00 H new ATOM 0 HE ARG A 108 4.927 20.134 14.710 1.00 0.00 H new ATOM 0 HH11 ARG A 108 5.107 16.822 13.477 1.00 0.00 H new ATOM 0 HH12 ARG A 108 4.315 16.116 14.890 1.00 0.00 H new ATOM 0 HH21 ARG A 108 3.976 19.219 16.588 1.00 0.00 H new ATOM 0 HH22 ARG A 108 3.673 17.479 16.656 1.00 0.00 H new ATOM 1725 N ASP A 109 2.945 20.895 9.231 1.00 0.00 N ATOM 1726 CA ASP A 109 1.898 21.587 8.487 1.00 0.00 C ATOM 1727 C ASP A 109 0.886 20.555 7.982 1.00 0.00 C ATOM 1728 O ASP A 109 -0.248 20.877 7.605 1.00 0.00 O ATOM 1729 CB ASP A 109 2.536 22.375 7.326 1.00 0.00 C ATOM 1730 CG ASP A 109 1.613 23.392 6.665 1.00 0.00 C ATOM 1731 OD1 ASP A 109 0.877 24.104 7.392 1.00 0.00 O ATOM 1732 OD2 ASP A 109 1.703 23.592 5.437 1.00 0.00 O1- ATOM 0 H ASP A 109 3.698 20.522 8.654 1.00 0.00 H new ATOM 0 HA ASP A 109 1.373 22.297 9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 109 3.419 22.894 7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.877 21.669 6.569 1.00 0.00 H new ATOM 1737 N ILE A 110 1.313 19.302 8.012 1.00 0.00 N ATOM 1738 CA ILE A 110 0.510 18.164 7.592 1.00 0.00 C ATOM 1739 C ILE A 110 -0.268 17.596 8.771 1.00 0.00 C ATOM 1740 O ILE A 110 -1.497 17.479 8.739 1.00 0.00 O ATOM 1741 CB ILE A 110 1.411 17.021 7.055 1.00 0.00 C ATOM 1742 CG1 ILE A 110 2.327 17.537 5.963 1.00 0.00 C ATOM 1743 CG2 ILE A 110 0.556 15.861 6.524 1.00 0.00 C ATOM 1744 CD1 ILE A 110 3.345 16.536 5.503 1.00 0.00 C ATOM 0 H ILE A 110 2.245 19.043 8.335 1.00 0.00 H new ATOM 0 HA ILE A 110 -0.165 18.520 6.814 1.00 0.00 H new ATOM 0 HB ILE A 110 2.022 16.652 7.879 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.722 17.845 5.110 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.843 18.426 6.325 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.207 15.070 6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -0.067 15.470 7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.080 16.219 5.714 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.963 16.978 4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.976 16.246 6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.837 15.655 5.109 1.00 0.00 H new ATOM 1973 N ILE B 206 25.722 15.231 8.406 1.00 0.00 N ATOM 1974 CA ILE B 206 25.690 15.485 6.975 1.00 0.00 C ATOM 1975 C ILE B 206 26.134 16.903 6.754 1.00 0.00 C ATOM 1976 O ILE B 206 25.736 17.791 7.496 1.00 0.00 O ATOM 1977 CB ILE B 206 24.290 15.371 6.347 1.00 0.00 C ATOM 1978 CG1 ILE B 206 23.419 14.310 7.020 1.00 0.00 C ATOM 1979 CG2 ILE B 206 24.447 15.038 4.874 1.00 0.00 C ATOM 1980 CD1 ILE B 206 23.898 12.874 6.861 1.00 0.00 C ATOM 0 HA ILE B 206 26.330 14.734 6.511 1.00 0.00 H new ATOM 0 HB ILE B 206 23.785 16.327 6.486 1.00 0.00 H new ATOM 0 HG12 ILE B 206 23.356 14.538 8.084 1.00 0.00 H new ATOM 0 HG13 ILE B 206 22.409 14.385 6.617 1.00 0.00 H new ATOM 0 HG21 ILE B 206 23.463 14.953 4.413 1.00 0.00 H new ATOM 0 HG22 ILE B 206 25.012 15.829 4.380 1.00 0.00 H new ATOM 0 HG23 ILE B 206 24.979 14.092 4.769 1.00 0.00 H new ATOM 0 HD11 ILE B 206 23.211 12.202 7.375 1.00 0.00 H new ATOM 0 HD12 ILE B 206 23.933 12.617 5.802 1.00 0.00 H new ATOM 0 HD13 ILE B 206 24.894 12.773 7.292 1.00 0.00 H new ATOM 1992 N ASP B 207 26.873 17.116 5.712 1.00 0.00 N ATOM 1993 CA ASP B 207 27.482 18.406 5.424 1.00 0.00 C ATOM 1994 C ASP B 207 26.574 19.278 4.561 1.00 0.00 C ATOM 1995 O ASP B 207 26.846 20.460 4.357 1.00 0.00 O ATOM 1996 CB ASP B 207 28.795 18.145 4.696 1.00 0.00 C ATOM 1997 CG ASP B 207 29.682 19.381 4.513 1.00 0.00 C ATOM 1998 OD1 ASP B 207 30.465 19.706 5.433 1.00 0.00 O ATOM 1999 OD2 ASP B 207 29.654 20.013 3.441 1.00 0.00 O1- ATOM 0 H ASP B 207 27.082 16.398 5.018 1.00 0.00 H new ATOM 0 HA ASP B 207 27.650 18.943 6.358 1.00 0.00 H new ATOM 0 HB2 ASP B 207 29.356 17.390 5.247 1.00 0.00 H new ATOM 0 HB3 ASP B 207 28.574 17.725 3.715 1.00 0.00 H new ATOM 2004 N ILE B 208 25.465 18.729 4.096 1.00 0.00 N ATOM 2005 CA ILE B 208 24.643 19.479 3.165 1.00 0.00 C ATOM 2006 C ILE B 208 23.596 20.262 3.917 1.00 0.00 C ATOM 2007 O ILE B 208 23.784 21.437 4.219 1.00 0.00 O ATOM 2008 CB ILE B 208 23.923 18.601 2.098 1.00 0.00 C ATOM 2009 CG1 ILE B 208 24.576 17.222 1.952 1.00 0.00 C ATOM 2010 CG2 ILE B 208 23.950 19.329 0.767 1.00 0.00 C ATOM 2011 CD1 ILE B 208 23.873 16.307 0.959 1.00 0.00 C ATOM 0 H ILE B 208 25.122 17.799 4.337 1.00 0.00 H new ATOM 0 HA ILE B 208 25.332 20.135 2.633 1.00 0.00 H new ATOM 0 HB ILE B 208 22.896 18.438 2.424 1.00 0.00 H new ATOM 0 HG12 ILE B 208 25.612 17.353 1.639 1.00 0.00 H new ATOM 0 HG13 ILE B 208 24.596 16.736 2.927 1.00 0.00 H new ATOM 0 HG21 ILE B 208 23.449 18.724 0.011 1.00 0.00 H new ATOM 0 HG22 ILE B 208 23.437 20.286 0.865 1.00 0.00 H new ATOM 0 HG23 ILE B 208 24.984 19.501 0.467 1.00 0.00 H new ATOM 0 HD11 ILE B 208 24.395 15.351 0.912 1.00 0.00 H new ATOM 0 HD12 ILE B 208 22.844 16.143 1.280 1.00 0.00 H new ATOM 0 HD13 ILE B 208 23.876 16.770 -0.028 1.00 0.00 H new ATOM 2023 N MET B 209 22.531 19.562 4.287 1.00 0.00 N ATOM 2024 CA MET B 209 21.366 20.127 4.969 1.00 0.00 C ATOM 2025 C MET B 209 20.516 21.083 4.101 1.00 0.00 C ATOM 2026 O MET B 209 21.040 21.786 3.222 1.00 0.00 O ATOM 2027 CB MET B 209 21.703 20.649 6.361 1.00 0.00 C ATOM 2028 CG MET B 209 21.931 19.495 7.307 1.00 0.00 C ATOM 2029 SD MET B 209 20.506 18.393 7.284 1.00 0.00 S ATOM 2030 CE MET B 209 20.955 17.223 8.514 1.00 0.00 C ATOM 0 H MET B 209 22.448 18.559 4.118 1.00 0.00 H new ATOM 0 HA MET B 209 20.686 19.291 5.135 1.00 0.00 H new ATOM 0 HB2 MET B 209 22.594 21.275 6.317 1.00 0.00 H new ATOM 0 HB3 MET B 209 20.891 21.276 6.729 1.00 0.00 H new ATOM 0 HG2 MET B 209 22.829 18.949 7.018 1.00 0.00 H new ATOM 0 HG3 MET B 209 22.096 19.869 8.317 1.00 0.00 H new ATOM 0 HE1 MET B 209 20.086 16.619 8.776 1.00 0.00 H new ATOM 0 HE2 MET B 209 21.744 16.576 8.130 1.00 0.00 H new ATOM 0 HE3 MET B 209 21.314 17.746 9.400 1.00 0.00 H new ATOM 2040 N PRO B 210 19.169 21.074 4.304 1.00 0.00 N ATOM 2041 CA PRO B 210 18.225 21.801 3.449 1.00 0.00 C ATOM 2042 C PRO B 210 18.370 23.330 3.434 1.00 0.00 C ATOM 2043 O PRO B 210 18.748 23.959 4.439 1.00 0.00 O ATOM 2044 CB PRO B 210 16.846 21.406 3.993 1.00 0.00 C ATOM 2045 CG PRO B 210 17.090 20.966 5.387 1.00 0.00 C ATOM 2046 CD PRO B 210 18.453 20.345 5.383 1.00 0.00 C ATOM 0 HA PRO B 210 18.405 21.529 2.409 1.00 0.00 H new ATOM 0 HB2 PRO B 210 16.154 22.248 3.961 1.00 0.00 H new ATOM 0 HB3 PRO B 210 16.403 20.606 3.399 1.00 0.00 H new ATOM 0 HG2 PRO B 210 17.046 21.809 6.077 1.00 0.00 H new ATOM 0 HG3 PRO B 210 16.334 20.250 5.710 1.00 0.00 H new ATOM 0 HD2 PRO B 210 18.950 20.465 6.345 1.00 0.00 H new ATOM 0 HD3 PRO B 210 18.405 19.275 5.180 1.00 0.00 H new ATOM 2054 N ASP B 211 18.055 23.901 2.290 1.00 0.00 N ATOM 2055 CA ASP B 211 18.045 25.349 2.068 1.00 0.00 C ATOM 2056 C ASP B 211 16.722 25.936 2.570 1.00 0.00 C ATOM 2057 O ASP B 211 16.700 26.704 3.535 1.00 0.00 O ATOM 2058 CB ASP B 211 18.220 25.639 0.569 1.00 0.00 C ATOM 2059 CG ASP B 211 18.080 27.106 0.191 1.00 0.00 C ATOM 2060 OD1 ASP B 211 16.948 27.588 0.054 1.00 0.00 O ATOM 2061 OD2 ASP B 211 19.100 27.774 -0.045 1.00 0.00 O1- ATOM 0 H ASP B 211 17.791 23.366 1.463 1.00 0.00 H new ATOM 0 HA ASP B 211 18.867 25.810 2.617 1.00 0.00 H new ATOM 0 HB2 ASP B 211 19.203 25.288 0.256 1.00 0.00 H new ATOM 0 HB3 ASP B 211 17.483 25.061 0.011 1.00 0.00 H new ATOM 2066 N PHE B 212 15.620 25.522 1.931 1.00 0.00 N ATOM 2067 CA PHE B 212 14.248 25.935 2.305 1.00 0.00 C ATOM 2068 C PHE B 212 13.865 27.392 1.998 1.00 0.00 C ATOM 2069 O PHE B 212 12.967 27.938 2.657 1.00 0.00 O ATOM 2070 CB PHE B 212 13.892 25.585 3.761 1.00 0.00 C ATOM 2071 CG PHE B 212 13.571 24.140 4.023 1.00 0.00 C ATOM 2072 CD1 PHE B 212 13.480 23.211 2.990 1.00 0.00 C ATOM 2073 CD2 PHE B 212 13.311 23.718 5.314 1.00 0.00 C ATOM 2074 CE1 PHE B 212 13.136 21.910 3.250 1.00 0.00 C ATOM 2075 CE2 PHE B 212 12.978 22.412 5.572 1.00 0.00 C ATOM 2076 CZ PHE B 212 12.886 21.515 4.540 1.00 0.00 C ATOM 0 H PHE B 212 15.649 24.887 1.134 1.00 0.00 H new ATOM 0 HA PHE B 212 13.639 25.332 1.631 1.00 0.00 H new ATOM 0 HB2 PHE B 212 14.727 25.875 4.400 1.00 0.00 H new ATOM 0 HB3 PHE B 212 13.036 26.189 4.062 1.00 0.00 H new ATOM 0 HD1 PHE B 212 13.682 23.518 1.975 1.00 0.00 H new ATOM 0 HD2 PHE B 212 13.371 24.425 6.129 1.00 0.00 H new ATOM 0 HE1 PHE B 212 13.062 21.198 2.442 1.00 0.00 H new ATOM 0 HE2 PHE B 212 12.789 22.092 6.586 1.00 0.00 H new ATOM 0 HZ PHE B 212 12.615 20.490 4.744 1.00 0.00 H new ATOM 2086 N SER B 213 14.449 27.997 1.002 1.00 0.00 N ATOM 2087 CA SER B 213 14.029 29.306 0.595 1.00 0.00 C ATOM 2088 C SER B 213 13.741 29.243 -0.896 1.00 0.00 C ATOM 2089 O SER B 213 14.174 28.289 -1.540 1.00 0.00 O ATOM 2090 CB SER B 213 15.101 30.368 0.955 1.00 0.00 C ATOM 2091 OG SER B 213 16.370 30.107 0.355 1.00 0.00 O ATOM 0 H SER B 213 15.217 27.604 0.458 1.00 0.00 H new ATOM 0 HA SER B 213 13.126 29.613 1.123 1.00 0.00 H new ATOM 0 HB2 SER B 213 14.751 31.351 0.639 1.00 0.00 H new ATOM 0 HB3 SER B 213 15.218 30.405 2.038 1.00 0.00 H new ATOM 0 HG SER B 213 16.663 29.202 0.590 1.00 0.00 H new ATOM 2097 N PRO B 214 12.965 30.166 -1.478 1.00 0.00 N ATOM 2098 CA PRO B 214 12.740 30.142 -2.907 1.00 0.00 C ATOM 2099 C PRO B 214 13.912 30.674 -3.647 1.00 0.00 C ATOM 2100 O PRO B 214 14.876 31.211 -3.062 1.00 0.00 O ATOM 2101 CB PRO B 214 11.609 31.123 -3.128 1.00 0.00 C ATOM 2102 CG PRO B 214 11.732 32.078 -2.002 1.00 0.00 C ATOM 2103 CD PRO B 214 12.233 31.274 -0.829 1.00 0.00 C ATOM 0 HA PRO B 214 12.544 29.125 -3.248 1.00 0.00 H new ATOM 0 HB2 PRO B 214 11.701 31.627 -4.090 1.00 0.00 H new ATOM 0 HB3 PRO B 214 10.641 30.623 -3.122 1.00 0.00 H new ATOM 0 HG2 PRO B 214 12.424 32.883 -2.247 1.00 0.00 H new ATOM 0 HG3 PRO B 214 10.771 32.541 -1.776 1.00 0.00 H new ATOM 0 HD2 PRO B 214 12.883 31.864 -0.183 1.00 0.00 H new ATOM 0 HD3 PRO B 214 11.414 30.909 -0.210 1.00 0.00 H new ATOM 2111 N SER B 215 13.845 30.530 -4.895 1.00 0.00 N ATOM 2112 CA SER B 215 14.734 31.170 -5.738 1.00 0.00 C ATOM 2113 C SER B 215 14.129 32.546 -6.044 1.00 0.00 C ATOM 2114 O SER B 215 13.034 32.901 -5.584 1.00 0.00 O ATOM 2115 CB SER B 215 14.921 30.374 -7.034 1.00 0.00 C ATOM 2116 OG SER B 215 13.755 30.445 -7.852 1.00 0.00 O ATOM 0 H SER B 215 13.153 29.949 -5.369 1.00 0.00 H new ATOM 0 HA SER B 215 15.715 31.262 -5.272 1.00 0.00 H new ATOM 0 HB2 SER B 215 15.779 30.763 -7.583 1.00 0.00 H new ATOM 0 HB3 SER B 215 15.140 29.333 -6.797 1.00 0.00 H new ATOM 0 HG SER B 215 13.102 29.780 -7.549 1.00 0.00 H new ATOM 2122 N GLY B 216 14.810 33.248 -6.811 1.00 0.00 N ATOM 2123 CA GLY B 216 14.428 34.550 -7.228 1.00 0.00 C ATOM 2124 C GLY B 216 13.955 34.499 -8.647 1.00 0.00 C ATOM 2125 O GLY B 216 13.441 35.478 -9.180 1.00 0.00 O ATOM 0 H GLY B 216 15.701 32.940 -7.202 1.00 0.00 H new ATOM 0 HA2 GLY B 216 13.637 34.933 -6.583 1.00 0.00 H new ATOM 0 HA3 GLY B 216 15.272 35.235 -7.139 1.00 0.00 H new ATOM 2129 N LEU B 217 14.116 33.327 -9.266 1.00 0.00 N ATOM 2130 CA LEU B 217 13.676 33.118 -10.633 1.00 0.00 C ATOM 2131 C LEU B 217 12.191 33.124 -10.597 1.00 0.00 C ATOM 2132 O LEU B 217 11.525 33.830 -11.328 1.00 0.00 O ATOM 2133 CB LEU B 217 14.052 31.712 -11.118 1.00 0.00 C ATOM 2134 CG LEU B 217 15.459 31.212 -10.876 1.00 0.00 C ATOM 2135 CD1 LEU B 217 15.582 29.812 -11.397 1.00 0.00 C ATOM 2136 CD2 LEU B 217 16.480 32.100 -11.516 1.00 0.00 C ATOM 0 H LEU B 217 14.550 32.511 -8.834 1.00 0.00 H new ATOM 0 HA LEU B 217 14.122 33.877 -11.275 1.00 0.00 H new ATOM 0 HB2 LEU B 217 13.365 31.006 -10.650 1.00 0.00 H new ATOM 0 HB3 LEU B 217 13.867 31.672 -12.191 1.00 0.00 H new ATOM 0 HG LEU B 217 15.649 31.224 -9.803 1.00 0.00 H new ATOM 0 HD11 LEU B 217 16.595 29.447 -11.225 1.00 0.00 H new ATOM 0 HD12 LEU B 217 14.871 29.167 -10.880 1.00 0.00 H new ATOM 0 HD13 LEU B 217 15.370 29.802 -12.466 1.00 0.00 H new ATOM 0 HD21 LEU B 217 17.478 31.708 -11.320 1.00 0.00 H new ATOM 0 HD22 LEU B 217 16.309 32.135 -12.592 1.00 0.00 H new ATOM 0 HD23 LEU B 217 16.398 33.105 -11.103 1.00 0.00 H new ATOM 2148 N LEU B 218 11.731 32.364 -9.645 1.00 0.00 N ATOM 2149 CA LEU B 218 10.374 31.994 -9.418 1.00 0.00 C ATOM 2150 C LEU B 218 9.398 33.172 -9.540 1.00 0.00 C ATOM 2151 O LEU B 218 8.478 33.139 -10.358 1.00 0.00 O ATOM 2152 CB LEU B 218 10.318 31.388 -8.037 1.00 0.00 C ATOM 2153 CG LEU B 218 9.193 30.392 -7.799 1.00 0.00 C ATOM 2154 CD1 LEU B 218 9.256 29.268 -8.801 1.00 0.00 C ATOM 2155 CD2 LEU B 218 9.284 29.832 -6.425 1.00 0.00 C ATOM 0 H LEU B 218 12.356 31.955 -8.950 1.00 0.00 H new ATOM 0 HA LEU B 218 10.058 31.286 -10.184 1.00 0.00 H new ATOM 0 HB2 LEU B 218 11.267 30.890 -7.840 1.00 0.00 H new ATOM 0 HB3 LEU B 218 10.224 32.195 -7.310 1.00 0.00 H new ATOM 0 HG LEU B 218 8.245 30.918 -7.915 1.00 0.00 H new ATOM 0 HD11 LEU B 218 8.443 28.567 -8.613 1.00 0.00 H new ATOM 0 HD12 LEU B 218 9.160 29.673 -9.808 1.00 0.00 H new ATOM 0 HD13 LEU B 218 10.210 28.750 -8.707 1.00 0.00 H new ATOM 0 HD21 LEU B 218 8.473 29.121 -6.268 1.00 0.00 H new ATOM 0 HD22 LEU B 218 10.241 29.325 -6.301 1.00 0.00 H new ATOM 0 HD23 LEU B 218 9.205 30.639 -5.697 1.00 0.00 H new ATOM 2167 N GLU B 219 9.661 34.224 -8.784 1.00 0.00 N ATOM 2168 CA GLU B 219 8.802 35.411 -8.738 1.00 0.00 C ATOM 2169 C GLU B 219 8.759 36.171 -10.084 1.00 0.00 C ATOM 2170 O GLU B 219 7.844 36.958 -10.337 1.00 0.00 O ATOM 2171 CB GLU B 219 9.289 36.340 -7.630 1.00 0.00 C ATOM 2172 CG GLU B 219 10.719 36.809 -7.829 1.00 0.00 C ATOM 2173 CD GLU B 219 11.215 37.659 -6.708 1.00 0.00 C ATOM 2174 OE1 GLU B 219 10.716 38.781 -6.541 1.00 0.00 O ATOM 2175 OE2 GLU B 219 12.144 37.234 -5.999 1.00 0.00 O1- ATOM 0 H GLU B 219 10.480 34.286 -8.179 1.00 0.00 H new ATOM 0 HA GLU B 219 7.785 35.074 -8.535 1.00 0.00 H new ATOM 0 HB2 GLU B 219 8.632 37.209 -7.578 1.00 0.00 H new ATOM 0 HB3 GLU B 219 9.212 35.825 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU B 219 11.369 35.940 -7.934 1.00 0.00 H new ATOM 0 HG3 GLU B 219 10.785 37.371 -8.761 1.00 0.00 H new ATOM 2182 N LEU B 220 9.739 35.936 -10.930 1.00 0.00 N ATOM 2183 CA LEU B 220 9.819 36.604 -12.213 1.00 0.00 C ATOM 2184 C LEU B 220 9.076 35.782 -13.251 1.00 0.00 C ATOM 2185 O LEU B 220 8.466 36.321 -14.185 1.00 0.00 O ATOM 2186 CB LEU B 220 11.290 36.745 -12.639 1.00 0.00 C ATOM 2187 CG LEU B 220 12.228 37.442 -11.645 1.00 0.00 C ATOM 2188 CD1 LEU B 220 13.658 37.438 -12.162 1.00 0.00 C ATOM 2189 CD2 LEU B 220 11.773 38.863 -11.378 1.00 0.00 C ATOM 0 H LEU B 220 10.499 35.280 -10.750 1.00 0.00 H new ATOM 0 HA LEU B 220 9.371 37.594 -12.131 1.00 0.00 H new ATOM 0 HB2 LEU B 220 11.684 35.749 -12.838 1.00 0.00 H new ATOM 0 HB3 LEU B 220 11.321 37.294 -13.580 1.00 0.00 H new ATOM 0 HG LEU B 220 12.195 36.887 -10.707 1.00 0.00 H new ATOM 0 HD11 LEU B 220 14.307 37.937 -11.442 1.00 0.00 H new ATOM 0 HD12 LEU B 220 13.992 36.410 -12.300 1.00 0.00 H new ATOM 0 HD13 LEU B 220 13.702 37.964 -13.115 1.00 0.00 H new ATOM 0 HD21 LEU B 220 12.454 39.336 -10.670 1.00 0.00 H new ATOM 0 HD22 LEU B 220 11.771 39.426 -12.311 1.00 0.00 H new ATOM 0 HD23 LEU B 220 10.766 38.850 -10.960 1.00 0.00 H new ATOM 2201 N GLU B 221 9.101 34.480 -13.049 1.00 0.00 N ATOM 2202 CA GLU B 221 8.525 33.520 -13.974 1.00 0.00 C ATOM 2203 C GLU B 221 7.010 33.489 -13.851 1.00 0.00 C ATOM 2204 O GLU B 221 6.303 33.214 -14.826 1.00 0.00 O ATOM 2205 CB GLU B 221 9.092 32.132 -13.691 1.00 0.00 C ATOM 2206 CG GLU B 221 10.608 32.095 -13.626 1.00 0.00 C ATOM 2207 CD GLU B 221 11.280 32.557 -14.883 1.00 0.00 C ATOM 2208 OE1 GLU B 221 11.376 31.765 -15.842 1.00 0.00 O ATOM 2209 OE2 GLU B 221 11.768 33.691 -14.928 1.00 0.00 O1- ATOM 0 H GLU B 221 9.527 34.052 -12.227 1.00 0.00 H new ATOM 0 HA GLU B 221 8.782 33.822 -14.989 1.00 0.00 H new ATOM 0 HB2 GLU B 221 8.687 31.770 -12.746 1.00 0.00 H new ATOM 0 HB3 GLU B 221 8.753 31.445 -14.467 1.00 0.00 H new ATOM 0 HG2 GLU B 221 10.942 32.719 -12.797 1.00 0.00 H new ATOM 0 HG3 GLU B 221 10.928 31.076 -13.408 1.00 0.00 H new ATOM 2461 N PRO C 315 -4.321 23.422 0.427 1.00 0.00 N ATOM 2462 CA PRO C 315 -2.988 24.009 0.170 1.00 0.00 C ATOM 2463 C PRO C 315 -2.093 24.028 1.426 1.00 0.00 C ATOM 2464 O PRO C 315 -2.552 23.727 2.543 1.00 0.00 O ATOM 2465 CB PRO C 315 -3.306 25.443 -0.277 1.00 0.00 C ATOM 2466 CG PRO C 315 -4.637 25.739 0.312 1.00 0.00 C ATOM 2467 CD PRO C 315 -5.388 24.439 0.337 1.00 0.00 C ATOM 0 HA PRO C 315 -2.431 23.429 -0.566 1.00 0.00 H new ATOM 0 HB2 PRO C 315 -2.551 26.145 0.079 1.00 0.00 H new ATOM 0 HB3 PRO C 315 -3.328 25.523 -1.364 1.00 0.00 H new ATOM 0 HG2 PRO C 315 -4.535 26.148 1.317 1.00 0.00 H new ATOM 0 HG3 PRO C 315 -5.168 26.483 -0.282 1.00 0.00 H new ATOM 0 HD2 PRO C 315 -6.066 24.384 1.188 1.00 0.00 H new ATOM 0 HD3 PRO C 315 -5.992 24.308 -0.561 1.00 0.00 H new ATOM 2475 N GLY C 316 -0.839 24.380 1.244 1.00 0.00 N ATOM 2476 CA GLY C 316 0.100 24.384 2.339 1.00 0.00 C ATOM 2477 C GLY C 316 0.492 25.778 2.787 1.00 0.00 C ATOM 2478 O GLY C 316 0.297 26.756 2.059 1.00 0.00 O ATOM 0 H GLY C 316 -0.448 24.667 0.347 1.00 0.00 H new ATOM 0 HA2 GLY C 316 -0.334 23.847 3.183 1.00 0.00 H new ATOM 0 HA3 GLY C 316 0.996 23.840 2.042 1.00 0.00 H new ATOM 2482 N SER C 317 1.083 25.864 3.960 1.00 0.00 N ATOM 2483 CA SER C 317 1.470 27.131 4.545 1.00 0.00 C ATOM 2484 C SER C 317 2.812 27.654 4.012 1.00 0.00 C ATOM 2485 O SER C 317 3.227 28.764 4.349 1.00 0.00 O ATOM 2486 CB SER C 317 1.516 27.004 6.055 1.00 0.00 C ATOM 2487 OG SER C 317 0.253 26.574 6.561 1.00 0.00 O ATOM 0 H SER C 317 1.310 25.054 4.537 1.00 0.00 H new ATOM 0 HA SER C 317 0.716 27.863 4.255 1.00 0.00 H new ATOM 0 HB2 SER C 317 2.290 26.293 6.342 1.00 0.00 H new ATOM 0 HB3 SER C 317 1.784 27.963 6.498 1.00 0.00 H new ATOM 0 HG SER C 317 0.370 25.748 7.074 1.00 0.00 H new ATOM 2493 N ARG C 318 3.513 26.864 3.207 1.00 0.00 N ATOM 2494 CA ARG C 318 4.746 27.366 2.611 1.00 0.00 C ATOM 2495 C ARG C 318 4.458 27.914 1.218 1.00 0.00 C ATOM 2496 O ARG C 318 5.372 28.323 0.485 1.00 0.00 O ATOM 2497 CB ARG C 318 5.865 26.315 2.550 1.00 0.00 C ATOM 2498 CG ARG C 318 6.188 25.638 3.878 1.00 0.00 C ATOM 2499 CD ARG C 318 7.559 24.975 3.837 1.00 0.00 C ATOM 2500 NE ARG C 318 8.640 25.931 4.175 1.00 0.00 N ATOM 2501 CZ ARG C 318 9.514 26.497 3.325 1.00 0.00 C ATOM 2502 NH1 ARG C 318 9.403 26.314 2.014 1.00 0.00 N1+ ATOM 2503 NH2 ARG C 318 10.480 27.271 3.803 1.00 0.00 N ATOM 0 H ARG C 318 3.262 25.907 2.958 1.00 0.00 H new ATOM 0 HA ARG C 318 5.110 28.162 3.260 1.00 0.00 H new ATOM 0 HB2 ARG C 318 5.584 25.549 1.828 1.00 0.00 H new ATOM 0 HB3 ARG C 318 6.770 26.791 2.173 1.00 0.00 H new ATOM 0 HG2 ARG C 318 6.161 26.374 4.681 1.00 0.00 H new ATOM 0 HG3 ARG C 318 5.426 24.892 4.104 1.00 0.00 H new ATOM 0 HD2 ARG C 318 7.580 24.139 4.536 1.00 0.00 H new ATOM 0 HD3 ARG C 318 7.735 24.563 2.843 1.00 0.00 H new ATOM 0 HE ARG C 318 8.730 26.187 5.158 1.00 0.00 H new ATOM 0 HH11 ARG C 318 8.648 25.738 1.642 1.00 0.00 H new ATOM 0 HH12 ARG C 318 10.073 26.749 1.380 1.00 0.00 H new ATOM 0 HH21 ARG C 318 10.555 27.432 4.807 1.00 0.00 H new ATOM 0 HH22 ARG C 318 11.148 27.705 3.166 1.00 0.00 H new ATOM 2517 N TRP C 319 3.179 27.916 0.865 1.00 0.00 N ATOM 2518 CA TRP C 319 2.716 28.452 -0.386 1.00 0.00 C ATOM 2519 C TRP C 319 2.781 29.960 -0.301 1.00 0.00 C ATOM 2520 O TRP C 319 2.137 30.578 0.559 1.00 0.00 O ATOM 2521 CB TRP C 319 1.289 27.951 -0.665 1.00 0.00 C ATOM 2522 CG TRP C 319 0.633 28.440 -1.932 1.00 0.00 C ATOM 2523 CD1 TRP C 319 1.174 28.518 -3.193 1.00 0.00 C ATOM 2524 CD2 TRP C 319 -0.731 28.856 -2.060 1.00 0.00 C ATOM 2525 NE1 TRP C 319 0.229 28.985 -4.071 1.00 0.00 N ATOM 2526 CE2 TRP C 319 -0.945 29.194 -3.403 1.00 0.00 C ATOM 2527 CE3 TRP C 319 -1.792 28.977 -1.159 1.00 0.00 C ATOM 2528 CZ2 TRP C 319 -2.179 29.654 -3.873 1.00 0.00 C ATOM 2529 CZ3 TRP C 319 -3.012 29.425 -1.626 1.00 0.00 C ATOM 2530 CH2 TRP C 319 -3.197 29.759 -2.970 1.00 0.00 C ATOM 0 H TRP C 319 2.435 27.539 1.452 1.00 0.00 H new ATOM 0 HA TRP C 319 3.342 28.120 -1.214 1.00 0.00 H new ATOM 0 HB2 TRP C 319 1.311 26.862 -0.692 1.00 0.00 H new ATOM 0 HB3 TRP C 319 0.658 28.237 0.177 1.00 0.00 H new ATOM 0 HD1 TRP C 319 2.188 28.252 -3.453 1.00 0.00 H new ATOM 0 HE1 TRP C 319 0.379 29.150 -5.066 1.00 0.00 H new ATOM 0 HE3 TRP C 319 -1.661 28.725 -0.117 1.00 0.00 H new ATOM 0 HZ2 TRP C 319 -2.321 29.916 -4.911 1.00 0.00 H new ATOM 0 HZ3 TRP C 319 -3.840 29.519 -0.939 1.00 0.00 H new ATOM 0 HH2 TRP C 319 -4.164 30.107 -3.301 1.00 0.00 H new ATOM 2541 N ASP C 320 3.579 30.528 -1.179 1.00 0.00 N ATOM 2542 CA ASP C 320 3.863 31.975 -1.241 1.00 0.00 C ATOM 2543 C ASP C 320 2.609 32.812 -1.485 1.00 0.00 C ATOM 2544 O ASP C 320 2.569 34.009 -1.183 1.00 0.00 O ATOM 2545 CB ASP C 320 4.898 32.234 -2.348 1.00 0.00 C ATOM 2546 CG ASP C 320 5.236 33.693 -2.539 1.00 0.00 C ATOM 2547 OD1 ASP C 320 5.921 34.263 -1.692 1.00 0.00 O ATOM 2548 OD2 ASP C 320 4.837 34.287 -3.566 1.00 0.00 O1- ATOM 0 H ASP C 320 4.070 29.995 -1.897 1.00 0.00 H new ATOM 0 HA ASP C 320 4.257 32.280 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP C 320 5.811 31.687 -2.113 1.00 0.00 H new ATOM 0 HB3 ASP C 320 4.519 31.833 -3.288 1.00 0.00 H new ATOM 2553 N GLY C 321 1.587 32.183 -1.990 1.00 0.00 N ATOM 2554 CA GLY C 321 0.398 32.900 -2.313 1.00 0.00 C ATOM 2555 C GLY C 321 0.472 33.373 -3.719 1.00 0.00 C ATOM 2556 O GLY C 321 0.196 34.531 -4.022 1.00 0.00 O ATOM 0 H GLY C 321 1.557 31.182 -2.184 1.00 0.00 H new ATOM 0 HA2 GLY C 321 -0.474 32.259 -2.179 1.00 0.00 H new ATOM 0 HA3 GLY C 321 0.277 33.748 -1.639 1.00 0.00 H new