USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 667 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 52 ASN : amide:sc= -2.05! C(o=-3.4!,f=-8.1!) USER MOD Set 1.2: B 16 SER OG : rot -58:sc= -1.31 USER MOD Set 2.1: A 38 THR OG1 : rot 180:sc= -1.58! USER MOD Set 2.2: A 77 GLN : amide:sc= -2.73! C(o=-4.3!,f=-3.6!) USER MOD Single : A 8 THR OG1 : rot -40:sc= 0.013 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -131:sc= -3.27! (180deg=-8.64!) USER MOD Single : A 14 SER OG : rot -39:sc= 1.04 USER MOD Single : A 18 GLN : amide:sc= -0.37 K(o=-0.37,f=-3.5!) USER MOD Single : A 20 GLN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -1.13 K(o=-1.1,f=-6.5!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.028) USER MOD Single : A 35 MET CE :methyl -130:sc= -0.187 (180deg=-2.22!) USER MOD Single : A 36 HIS : no HD1:sc= -7.35! C(o=-7.4!,f=-5.9!) USER MOD Single : A 42 LYS NZ :NH3+ 158:sc= 0.163 (180deg=-0.295) USER MOD Single : A 44 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 46 MET CE :methyl -162:sc= 0 (180deg=-0.0998) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.255 X(o=-0.26,f=-0.49) USER MOD Single : A 58 MET CE :methyl -122:sc= -1.65 (180deg=-3.11!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= 1.21 (180deg=1.16) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot 130:sc= -1.04 USER MOD Single : B 9 ASN : amide:sc= -0.47 K(o=-0.47,f=-4.5!) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 1:sc= 0.134 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.226 -7.990 -11.800 1.00 0.00 N ATOM 95 CA THR A 8 -4.051 -6.834 -11.464 1.00 0.00 C ATOM 96 C THR A 8 -5.071 -6.566 -12.556 1.00 0.00 C ATOM 97 O THR A 8 -6.205 -6.180 -12.272 1.00 0.00 O ATOM 98 CB THR A 8 -3.177 -5.590 -11.269 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.560 -5.216 -12.489 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.081 -5.771 -10.241 1.00 0.00 C ATOM 0 HA THR A 8 -4.575 -7.056 -10.534 1.00 0.00 H new ATOM 0 HB THR A 8 -3.859 -4.818 -10.912 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.272 -6.020 -12.970 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.504 -4.850 -10.158 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.525 -6.010 -9.274 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.423 -6.584 -10.549 1.00 0.00 H new ATOM 108 N ALA A 9 -4.683 -6.798 -13.802 1.00 0.00 N ATOM 109 CA ALA A 9 -5.598 -6.603 -14.912 1.00 0.00 C ATOM 110 C ALA A 9 -6.814 -7.502 -14.729 1.00 0.00 C ATOM 111 O ALA A 9 -7.926 -7.027 -14.497 1.00 0.00 O ATOM 112 CB ALA A 9 -4.907 -6.895 -16.235 1.00 0.00 C ATOM 0 H ALA A 9 -3.751 -7.118 -14.066 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.923 -5.563 -14.929 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.610 -6.743 -17.054 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.057 -6.224 -16.357 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.558 -7.928 -16.243 1.00 0.00 H new ATOM 118 N SER A 10 -6.594 -8.807 -14.863 1.00 0.00 N ATOM 119 CA SER A 10 -7.670 -9.785 -14.743 1.00 0.00 C ATOM 120 C SER A 10 -8.386 -9.696 -13.396 1.00 0.00 C ATOM 121 O SER A 10 -9.559 -10.063 -13.295 1.00 0.00 O ATOM 122 CB SER A 10 -7.117 -11.197 -14.934 1.00 0.00 C ATOM 123 OG SER A 10 -6.947 -11.496 -16.309 1.00 0.00 O ATOM 0 H SER A 10 -5.678 -9.212 -15.055 1.00 0.00 H new ATOM 0 HA SER A 10 -8.398 -9.559 -15.522 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.162 -11.290 -14.418 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.795 -11.921 -14.482 1.00 0.00 H new ATOM 0 HG SER A 10 -6.591 -12.404 -16.405 1.00 0.00 H new ATOM 129 N MET A 11 -7.705 -9.203 -12.363 1.00 0.00 N ATOM 130 CA MET A 11 -8.340 -9.090 -11.054 1.00 0.00 C ATOM 131 C MET A 11 -9.515 -8.130 -11.156 1.00 0.00 C ATOM 132 O MET A 11 -10.574 -8.352 -10.570 1.00 0.00 O ATOM 133 CB MET A 11 -7.323 -8.632 -9.996 1.00 0.00 C ATOM 134 CG MET A 11 -7.555 -7.233 -9.437 1.00 0.00 C ATOM 135 SD MET A 11 -8.780 -7.211 -8.115 1.00 0.00 S ATOM 136 CE MET A 11 -9.778 -5.801 -8.589 1.00 0.00 C ATOM 0 H MET A 11 -6.737 -8.883 -12.404 1.00 0.00 H new ATOM 0 HA MET A 11 -8.711 -10.065 -10.738 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.337 -9.343 -9.170 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.325 -8.671 -10.433 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.613 -6.835 -9.061 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.881 -6.574 -10.241 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.914 -5.146 -7.728 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.277 -5.252 -9.387 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.751 -6.145 -8.941 1.00 0.00 H new ATOM 146 N LEU A 12 -9.325 -7.081 -11.934 1.00 0.00 N ATOM 147 CA LEU A 12 -10.374 -6.097 -12.153 1.00 0.00 C ATOM 148 C LEU A 12 -11.599 -6.778 -12.746 1.00 0.00 C ATOM 149 O LEU A 12 -12.693 -6.712 -12.186 1.00 0.00 O ATOM 150 CB LEU A 12 -9.879 -4.992 -13.087 1.00 0.00 C ATOM 151 CG LEU A 12 -10.425 -3.601 -12.780 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.848 -3.460 -13.295 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.368 -3.335 -11.286 1.00 0.00 C ATOM 0 H LEU A 12 -8.453 -6.886 -12.427 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.643 -5.646 -11.198 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.791 -4.958 -13.041 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.147 -5.254 -14.111 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.805 -2.863 -13.289 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.220 -2.461 -13.067 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.861 -3.614 -14.374 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.484 -4.203 -12.814 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.760 -2.339 -11.078 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.968 -4.078 -10.761 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.335 -3.396 -10.945 1.00 0.00 H new ATOM 165 N ALA A 13 -11.397 -7.459 -13.870 1.00 0.00 N ATOM 166 CA ALA A 13 -12.472 -8.189 -14.532 1.00 0.00 C ATOM 167 C ALA A 13 -12.874 -9.432 -13.729 1.00 0.00 C ATOM 168 O ALA A 13 -13.687 -10.236 -14.183 1.00 0.00 O ATOM 169 CB ALA A 13 -12.047 -8.586 -15.934 1.00 0.00 C ATOM 0 H ALA A 13 -10.495 -7.520 -14.342 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.340 -7.532 -14.594 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.857 -9.131 -16.419 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.815 -7.691 -16.511 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.164 -9.222 -15.880 1.00 0.00 H new ATOM 175 N SER A 14 -12.307 -9.571 -12.534 1.00 0.00 N ATOM 176 CA SER A 14 -12.615 -10.702 -11.664 1.00 0.00 C ATOM 177 C SER A 14 -13.590 -10.308 -10.550 1.00 0.00 C ATOM 178 O SER A 14 -13.866 -11.106 -9.653 1.00 0.00 O ATOM 179 CB SER A 14 -11.336 -11.279 -11.055 1.00 0.00 C ATOM 180 OG SER A 14 -11.002 -10.623 -9.844 1.00 0.00 O ATOM 0 H SER A 14 -11.631 -8.914 -12.145 1.00 0.00 H new ATOM 0 HA SER A 14 -13.093 -11.464 -12.280 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.468 -12.345 -10.870 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.515 -11.178 -11.765 1.00 0.00 H new ATOM 0 HG SER A 14 -11.193 -9.665 -9.927 1.00 0.00 H new ATOM 186 N ALA A 15 -14.119 -9.084 -10.609 1.00 0.00 N ATOM 187 CA ALA A 15 -15.064 -8.619 -9.600 1.00 0.00 C ATOM 188 C ALA A 15 -16.281 -7.948 -10.243 1.00 0.00 C ATOM 189 O ALA A 15 -16.172 -7.338 -11.305 1.00 0.00 O ATOM 190 CB ALA A 15 -14.378 -7.665 -8.640 1.00 0.00 C ATOM 0 H ALA A 15 -13.909 -8.404 -11.340 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.418 -9.487 -9.044 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.094 -7.325 -7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.552 -8.177 -8.146 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.995 -6.807 -9.192 1.00 0.00 H new ATOM 196 N PRO A 16 -17.465 -8.079 -9.608 1.00 0.00 N ATOM 197 CA PRO A 16 -18.714 -7.504 -10.114 1.00 0.00 C ATOM 198 C PRO A 16 -18.556 -6.078 -10.651 1.00 0.00 C ATOM 199 O PRO A 16 -17.467 -5.504 -10.626 1.00 0.00 O ATOM 200 CB PRO A 16 -19.648 -7.501 -8.901 1.00 0.00 C ATOM 201 CG PRO A 16 -19.026 -8.382 -7.862 1.00 0.00 C ATOM 202 CD PRO A 16 -17.670 -8.823 -8.356 1.00 0.00 C ATOM 0 HA PRO A 16 -19.085 -8.084 -10.959 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.779 -6.489 -8.519 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.637 -7.869 -9.176 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.929 -7.844 -6.919 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.660 -9.248 -7.671 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.891 -8.595 -7.629 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.642 -9.899 -8.526 1.00 0.00 H new ATOM 210 N PRO A 17 -19.659 -5.490 -11.151 1.00 0.00 N ATOM 211 CA PRO A 17 -19.661 -4.132 -11.707 1.00 0.00 C ATOM 212 C PRO A 17 -18.973 -3.106 -10.802 1.00 0.00 C ATOM 213 O PRO A 17 -17.830 -2.738 -11.047 1.00 0.00 O ATOM 214 CB PRO A 17 -21.152 -3.819 -11.869 1.00 0.00 C ATOM 215 CG PRO A 17 -21.791 -5.150 -12.059 1.00 0.00 C ATOM 216 CD PRO A 17 -20.997 -6.113 -11.218 1.00 0.00 C ATOM 0 HA PRO A 17 -19.098 -4.077 -12.639 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.549 -3.309 -10.991 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.331 -3.167 -12.724 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.836 -5.130 -11.748 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.776 -5.444 -13.108 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.433 -6.234 -10.227 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.956 -7.103 -11.672 1.00 0.00 H new ATOM 224 N GLN A 18 -19.675 -2.632 -9.772 1.00 0.00 N ATOM 225 CA GLN A 18 -19.123 -1.634 -8.857 1.00 0.00 C ATOM 226 C GLN A 18 -17.887 -2.153 -8.126 1.00 0.00 C ATOM 227 O GLN A 18 -17.132 -1.374 -7.549 1.00 0.00 O ATOM 228 CB GLN A 18 -20.185 -1.175 -7.846 1.00 0.00 C ATOM 229 CG GLN A 18 -21.131 -2.273 -7.383 1.00 0.00 C ATOM 230 CD GLN A 18 -22.481 -2.205 -8.074 1.00 0.00 C ATOM 231 OE1 GLN A 18 -22.561 -1.995 -9.284 1.00 0.00 O ATOM 232 NE2 GLN A 18 -23.550 -2.381 -7.306 1.00 0.00 N ATOM 0 H GLN A 18 -20.627 -2.924 -9.551 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.817 -0.779 -9.460 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.682 -0.755 -6.975 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -20.771 -0.372 -8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -20.676 -3.245 -7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -21.274 -2.195 -6.305 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -23.437 -2.553 -6.307 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -24.484 -2.345 -7.715 1.00 0.00 H new ATOM 241 N GLU A 19 -17.662 -3.461 -8.168 1.00 0.00 N ATOM 242 CA GLU A 19 -16.496 -4.048 -7.519 1.00 0.00 C ATOM 243 C GLU A 19 -15.277 -3.962 -8.434 1.00 0.00 C ATOM 244 O GLU A 19 -14.427 -4.848 -8.431 1.00 0.00 O ATOM 245 CB GLU A 19 -16.766 -5.510 -7.145 1.00 0.00 C ATOM 246 CG GLU A 19 -17.803 -5.681 -6.044 1.00 0.00 C ATOM 247 CD GLU A 19 -17.394 -5.020 -4.746 1.00 0.00 C ATOM 248 OE1 GLU A 19 -16.395 -5.466 -4.142 1.00 0.00 O ATOM 249 OE2 GLU A 19 -18.071 -4.057 -4.329 1.00 0.00 O ATOM 0 H GLU A 19 -18.267 -4.132 -8.641 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.294 -3.485 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.101 -6.047 -8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.832 -5.972 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.752 -5.261 -6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.968 -6.744 -5.869 1.00 0.00 H new ATOM 256 N GLN A 20 -15.167 -2.861 -9.171 1.00 0.00 N ATOM 257 CA GLN A 20 -14.010 -2.645 -10.040 1.00 0.00 C ATOM 258 C GLN A 20 -12.766 -2.365 -9.203 1.00 0.00 C ATOM 259 O GLN A 20 -11.987 -3.266 -8.889 1.00 0.00 O ATOM 260 CB GLN A 20 -14.238 -1.507 -11.057 1.00 0.00 C ATOM 261 CG GLN A 20 -15.605 -0.850 -10.976 1.00 0.00 C ATOM 262 CD GLN A 20 -15.861 0.100 -12.126 1.00 0.00 C ATOM 263 OE1 GLN A 20 -16.922 0.071 -12.748 1.00 0.00 O ATOM 264 NE2 GLN A 20 -14.883 0.947 -12.415 1.00 0.00 N ATOM 0 H GLN A 20 -15.857 -2.110 -9.186 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.864 -3.561 -10.613 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.474 -0.745 -10.906 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.099 -1.903 -12.063 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.375 -1.621 -10.968 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.688 -0.307 -10.035 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.020 0.934 -11.871 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.993 1.611 -13.181 1.00 0.00 H new ATOM 273 N LYS A 21 -12.604 -1.092 -8.844 1.00 0.00 N ATOM 274 CA LYS A 21 -11.472 -0.627 -8.042 1.00 0.00 C ATOM 275 C LYS A 21 -11.668 -0.945 -6.566 1.00 0.00 C ATOM 276 O LYS A 21 -10.979 -0.388 -5.709 1.00 0.00 O ATOM 277 CB LYS A 21 -11.290 0.879 -8.225 1.00 0.00 C ATOM 278 CG LYS A 21 -11.591 1.352 -9.635 1.00 0.00 C ATOM 279 CD LYS A 21 -10.318 1.634 -10.418 1.00 0.00 C ATOM 280 CE LYS A 21 -9.861 0.409 -11.191 1.00 0.00 C ATOM 281 NZ LYS A 21 -10.466 0.353 -12.551 1.00 0.00 N ATOM 0 H LYS A 21 -13.256 -0.351 -9.102 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.579 -1.150 -8.386 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.941 1.404 -7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.265 1.148 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.178 0.595 -10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.200 2.255 -9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.489 2.459 -11.109 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.530 1.949 -9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.774 0.419 -11.277 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.129 -0.491 -10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.129 -0.497 -13.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.502 0.318 -12.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.190 1.199 -13.089 1.00 0.00 H new ATOM 295 N GLN A 22 -12.599 -1.837 -6.268 1.00 0.00 N ATOM 296 CA GLN A 22 -12.873 -2.217 -4.891 1.00 0.00 C ATOM 297 C GLN A 22 -11.666 -2.888 -4.256 1.00 0.00 C ATOM 298 O GLN A 22 -11.082 -2.363 -3.306 1.00 0.00 O ATOM 299 CB GLN A 22 -14.080 -3.149 -4.821 1.00 0.00 C ATOM 300 CG GLN A 22 -15.054 -2.777 -3.721 1.00 0.00 C ATOM 301 CD GLN A 22 -14.553 -3.157 -2.341 1.00 0.00 C ATOM 302 OE1 GLN A 22 -13.422 -3.617 -2.183 1.00 0.00 O ATOM 303 NE2 GLN A 22 -15.396 -2.966 -1.332 1.00 0.00 N ATOM 0 H GLN A 22 -13.178 -2.312 -6.961 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.094 -1.306 -4.335 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.600 -3.134 -5.779 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.734 -4.170 -4.662 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.239 -1.703 -3.753 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.009 -3.270 -3.905 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.324 -2.582 -1.509 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.115 -3.203 -0.381 1.00 0.00 H new ATOM 312 N MET A 23 -11.294 -4.053 -4.779 1.00 0.00 N ATOM 313 CA MET A 23 -10.156 -4.790 -4.250 1.00 0.00 C ATOM 314 C MET A 23 -8.904 -3.918 -4.255 1.00 0.00 C ATOM 315 O MET A 23 -8.639 -3.210 -3.292 1.00 0.00 O ATOM 316 CB MET A 23 -9.919 -6.079 -5.054 1.00 0.00 C ATOM 317 CG MET A 23 -11.169 -6.913 -5.277 1.00 0.00 C ATOM 318 SD MET A 23 -11.296 -8.297 -4.131 1.00 0.00 S ATOM 319 CE MET A 23 -12.424 -9.364 -5.021 1.00 0.00 C ATOM 0 H MET A 23 -11.763 -4.503 -5.565 1.00 0.00 H new ATOM 0 HA MET A 23 -10.379 -5.067 -3.220 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.493 -5.817 -6.023 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.178 -6.687 -4.534 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.048 -6.277 -5.171 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.170 -7.292 -6.299 1.00 0.00 H new ATOM 0 HE1 MET A 23 -12.604 -10.268 -4.440 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.367 -8.842 -5.183 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.988 -9.632 -5.983 1.00 0.00 H new ATOM 329 N LEU A 24 -8.144 -3.974 -5.344 1.00 0.00 N ATOM 330 CA LEU A 24 -6.918 -3.193 -5.478 1.00 0.00 C ATOM 331 C LEU A 24 -7.174 -1.689 -5.467 1.00 0.00 C ATOM 332 O LEU A 24 -6.734 -0.984 -6.377 1.00 0.00 O ATOM 333 CB LEU A 24 -6.187 -3.586 -6.764 1.00 0.00 C ATOM 334 CG LEU A 24 -7.063 -3.879 -7.979 1.00 0.00 C ATOM 335 CD1 LEU A 24 -7.966 -2.702 -8.306 1.00 0.00 C ATOM 336 CD2 LEU A 24 -6.187 -4.237 -9.169 1.00 0.00 C ATOM 0 H LEU A 24 -8.358 -4.557 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.298 -3.420 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.498 -2.782 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.583 -4.469 -6.557 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.707 -4.727 -7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.577 -2.943 -9.176 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.614 -2.493 -7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.356 -1.825 -8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.816 -4.445 -10.034 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.523 -3.403 -9.396 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.593 -5.120 -8.931 1.00 0.00 H new ATOM 348 N GLY A 25 -7.862 -1.185 -4.437 1.00 0.00 N ATOM 349 CA GLY A 25 -8.137 0.238 -4.350 1.00 0.00 C ATOM 350 C GLY A 25 -8.303 0.893 -5.707 1.00 0.00 C ATOM 351 O GLY A 25 -8.813 0.275 -6.641 1.00 0.00 O ATOM 0 H GLY A 25 -8.231 -1.740 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.044 0.392 -3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.324 0.727 -3.813 1.00 0.00 H new ATOM 355 N GLU A 26 -7.854 2.136 -5.828 1.00 0.00 N ATOM 356 CA GLU A 26 -7.941 2.843 -7.094 1.00 0.00 C ATOM 357 C GLU A 26 -6.899 2.299 -8.071 1.00 0.00 C ATOM 358 O GLU A 26 -7.206 1.457 -8.913 1.00 0.00 O ATOM 359 CB GLU A 26 -7.797 4.368 -6.911 1.00 0.00 C ATOM 360 CG GLU A 26 -7.859 4.848 -5.462 1.00 0.00 C ATOM 361 CD GLU A 26 -8.494 6.221 -5.324 1.00 0.00 C ATOM 362 OE1 GLU A 26 -7.972 7.182 -5.927 1.00 0.00 O ATOM 363 OE2 GLU A 26 -9.513 6.333 -4.613 1.00 0.00 O ATOM 0 H GLU A 26 -7.429 2.670 -5.070 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.933 2.670 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.847 4.684 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.585 4.864 -7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.426 4.129 -4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.850 4.876 -5.050 1.00 0.00 H new ATOM 370 N ARG A 27 -5.670 2.802 -7.967 1.00 0.00 N ATOM 371 CA ARG A 27 -4.594 2.370 -8.866 1.00 0.00 C ATOM 372 C ARG A 27 -3.237 2.286 -8.165 1.00 0.00 C ATOM 373 O ARG A 27 -2.207 2.112 -8.821 1.00 0.00 O ATOM 374 CB ARG A 27 -4.495 3.324 -10.059 1.00 0.00 C ATOM 375 CG ARG A 27 -5.496 3.024 -11.165 1.00 0.00 C ATOM 376 CD ARG A 27 -5.095 1.795 -11.968 1.00 0.00 C ATOM 377 NE ARG A 27 -5.193 2.032 -13.409 1.00 0.00 N ATOM 378 CZ ARG A 27 -5.851 1.238 -14.257 1.00 0.00 C ATOM 379 NH1 ARG A 27 -6.442 0.129 -13.829 1.00 0.00 N ATOM 380 NH2 ARG A 27 -5.910 1.552 -15.545 1.00 0.00 N ATOM 0 H ARG A 27 -5.393 3.502 -7.278 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.848 1.366 -9.205 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.647 4.345 -9.710 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.487 3.275 -10.470 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.483 2.868 -10.730 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.573 3.884 -11.830 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.073 1.513 -11.715 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.735 0.956 -11.693 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.729 2.857 -13.790 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.396 -0.125 -12.842 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.942 -0.469 -14.487 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.453 2.398 -15.885 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.412 0.947 -16.195 1.00 0.00 H new ATOM 394 N LEU A 28 -3.221 2.401 -6.843 1.00 0.00 N ATOM 395 CA LEU A 28 -1.966 2.331 -6.105 1.00 0.00 C ATOM 396 C LEU A 28 -1.449 0.897 -5.993 1.00 0.00 C ATOM 397 O LEU A 28 -0.253 0.658 -6.141 1.00 0.00 O ATOM 398 CB LEU A 28 -2.126 2.955 -4.719 1.00 0.00 C ATOM 399 CG LEU A 28 -2.292 4.473 -4.733 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.230 4.932 -3.629 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.940 5.155 -4.609 1.00 0.00 C ATOM 0 H LEU A 28 -4.050 2.541 -6.266 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.224 2.901 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.993 2.510 -4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.255 2.701 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.737 4.757 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.329 6.017 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.209 4.474 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.826 4.635 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.076 6.236 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.467 4.859 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.306 4.860 -5.445 1.00 0.00 H new ATOM 413 N PHE A 29 -2.345 -0.058 -5.741 1.00 0.00 N ATOM 414 CA PHE A 29 -1.947 -1.463 -5.621 1.00 0.00 C ATOM 415 C PHE A 29 -1.046 -1.880 -6.785 1.00 0.00 C ATOM 416 O PHE A 29 0.032 -2.425 -6.570 1.00 0.00 O ATOM 417 CB PHE A 29 -3.182 -2.363 -5.554 1.00 0.00 C ATOM 418 CG PHE A 29 -2.950 -3.716 -4.932 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.062 -3.900 -3.881 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.654 -4.808 -5.397 1.00 0.00 C ATOM 421 CE1 PHE A 29 -1.896 -5.157 -3.321 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.492 -6.058 -4.841 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.614 -6.231 -3.799 1.00 0.00 C ATOM 0 H PHE A 29 -3.343 0.112 -5.617 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.380 -1.576 -4.697 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.958 -1.848 -4.988 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.565 -2.505 -6.565 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.499 -3.061 -3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.347 -4.680 -6.215 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.201 -5.295 -2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.053 -6.898 -5.223 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.487 -7.207 -3.355 1.00 0.00 H new ATOM 433 N PRO A 30 -1.465 -1.615 -8.038 1.00 0.00 N ATOM 434 CA PRO A 30 -0.666 -1.958 -9.219 1.00 0.00 C ATOM 435 C PRO A 30 0.702 -1.277 -9.197 1.00 0.00 C ATOM 436 O PRO A 30 1.718 -1.890 -9.525 1.00 0.00 O ATOM 437 CB PRO A 30 -1.498 -1.440 -10.399 1.00 0.00 C ATOM 438 CG PRO A 30 -2.877 -1.268 -9.865 1.00 0.00 C ATOM 439 CD PRO A 30 -2.729 -0.957 -8.401 1.00 0.00 C ATOM 0 HA PRO A 30 -0.464 -3.028 -9.272 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.102 -0.497 -10.775 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.484 -2.146 -11.230 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.396 -0.462 -10.383 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.466 -2.173 -10.012 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.689 0.117 -8.221 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.566 -1.347 -7.821 1.00 0.00 H new ATOM 447 N LEU A 31 0.715 0.000 -8.816 1.00 0.00 N ATOM 448 CA LEU A 31 1.960 0.774 -8.758 1.00 0.00 C ATOM 449 C LEU A 31 2.842 0.307 -7.607 1.00 0.00 C ATOM 450 O LEU A 31 4.043 0.044 -7.769 1.00 0.00 O ATOM 451 CB LEU A 31 1.649 2.261 -8.595 1.00 0.00 C ATOM 452 CG LEU A 31 0.541 2.787 -9.502 1.00 0.00 C ATOM 453 CD1 LEU A 31 -0.050 4.074 -8.946 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.069 3.001 -10.907 1.00 0.00 C ATOM 0 H LEU A 31 -0.118 0.521 -8.543 1.00 0.00 H new ATOM 0 HA LEU A 31 2.498 0.616 -9.693 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.369 2.448 -7.558 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.558 2.831 -8.788 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.254 2.043 -9.541 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.838 4.429 -9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.467 3.885 -7.957 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.731 4.831 -8.872 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.268 3.376 -11.544 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.883 3.725 -10.883 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.436 2.055 -11.306 1.00 0.00 H new ATOM 466 N ILE A 32 2.239 0.184 -6.442 1.00 0.00 N ATOM 467 CA ILE A 32 2.975 -0.261 -5.283 1.00 0.00 C ATOM 468 C ILE A 32 3.385 -1.706 -5.473 1.00 0.00 C ATOM 469 O ILE A 32 4.505 -2.082 -5.148 1.00 0.00 O ATOM 470 CB ILE A 32 2.177 -0.104 -3.986 1.00 0.00 C ATOM 471 CG1 ILE A 32 3.122 -0.322 -2.797 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.994 -1.063 -3.972 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.347 -1.776 -2.441 1.00 0.00 C ATOM 0 H ILE A 32 1.253 0.384 -6.276 1.00 0.00 H new ATOM 0 HA ILE A 32 3.858 0.370 -5.189 1.00 0.00 H new ATOM 0 HB ILE A 32 1.763 0.902 -3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.084 0.138 -3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.718 0.195 -1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.436 -0.939 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.342 -0.848 -4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.356 -2.089 -4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.026 -1.842 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.395 -2.238 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.782 -2.296 -3.294 1.00 0.00 H new ATOM 485 N GLN A 33 2.486 -2.509 -6.038 1.00 0.00 N ATOM 486 CA GLN A 33 2.793 -3.905 -6.308 1.00 0.00 C ATOM 487 C GLN A 33 4.178 -3.999 -6.947 1.00 0.00 C ATOM 488 O GLN A 33 4.983 -4.866 -6.605 1.00 0.00 O ATOM 489 CB GLN A 33 1.748 -4.526 -7.237 1.00 0.00 C ATOM 490 CG GLN A 33 1.979 -6.003 -7.512 1.00 0.00 C ATOM 491 CD GLN A 33 0.727 -6.708 -7.995 1.00 0.00 C ATOM 492 OE1 GLN A 33 0.739 -7.381 -9.025 1.00 0.00 O ATOM 493 NE2 GLN A 33 -0.361 -6.558 -7.251 1.00 0.00 N ATOM 0 H GLN A 33 1.548 -2.217 -6.314 1.00 0.00 H new ATOM 0 HA GLN A 33 2.779 -4.456 -5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.760 -4.397 -6.796 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.748 -3.985 -8.183 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.764 -6.111 -8.260 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.336 -6.487 -6.603 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.325 -5.991 -6.404 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.233 -7.010 -7.526 1.00 0.00 H new ATOM 502 N ALA A 34 4.440 -3.079 -7.879 1.00 0.00 N ATOM 503 CA ALA A 34 5.719 -3.021 -8.584 1.00 0.00 C ATOM 504 C ALA A 34 6.879 -2.822 -7.618 1.00 0.00 C ATOM 505 O ALA A 34 7.990 -3.297 -7.853 1.00 0.00 O ATOM 506 CB ALA A 34 5.701 -1.909 -9.623 1.00 0.00 C ATOM 0 H ALA A 34 3.776 -2.359 -8.163 1.00 0.00 H new ATOM 0 HA ALA A 34 5.864 -3.976 -9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.660 -1.878 -10.140 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.906 -2.098 -10.344 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.524 -0.953 -9.130 1.00 0.00 H new ATOM 512 N MET A 35 6.610 -2.109 -6.539 1.00 0.00 N ATOM 513 CA MET A 35 7.637 -1.830 -5.529 1.00 0.00 C ATOM 514 C MET A 35 7.528 -2.792 -4.342 1.00 0.00 C ATOM 515 O MET A 35 8.505 -3.444 -3.974 1.00 0.00 O ATOM 516 CB MET A 35 7.523 -0.383 -5.051 1.00 0.00 C ATOM 517 CG MET A 35 8.040 0.620 -6.069 1.00 0.00 C ATOM 518 SD MET A 35 6.823 1.875 -6.506 1.00 0.00 S ATOM 519 CE MET A 35 6.978 1.877 -8.290 1.00 0.00 C ATOM 0 H MET A 35 5.694 -1.710 -6.332 1.00 0.00 H new ATOM 0 HA MET A 35 8.613 -1.979 -5.990 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.480 -0.161 -4.828 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.080 -0.268 -4.121 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.929 1.108 -5.670 1.00 0.00 H new ATOM 0 HG3 MET A 35 8.345 0.089 -6.971 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.100 2.901 -8.643 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.847 1.286 -8.580 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.081 1.445 -8.734 1.00 0.00 H new ATOM 529 N HIS A 36 6.339 -2.896 -3.767 1.00 0.00 N ATOM 530 CA HIS A 36 6.100 -3.803 -2.647 1.00 0.00 C ATOM 531 C HIS A 36 7.000 -3.519 -1.449 1.00 0.00 C ATOM 532 O HIS A 36 7.546 -4.448 -0.850 1.00 0.00 O ATOM 533 CB HIS A 36 6.307 -5.250 -3.094 1.00 0.00 C ATOM 534 CG HIS A 36 5.058 -5.906 -3.577 1.00 0.00 C ATOM 535 ND1 HIS A 36 5.007 -7.221 -3.987 1.00 0.00 N ATOM 536 CD2 HIS A 36 3.801 -5.422 -3.711 1.00 0.00 C ATOM 537 CE1 HIS A 36 3.775 -7.520 -4.357 1.00 0.00 C ATOM 538 NE2 HIS A 36 3.024 -6.446 -4.198 1.00 0.00 N ATOM 0 H HIS A 36 5.520 -2.362 -4.057 1.00 0.00 H new ATOM 0 HA HIS A 36 5.070 -3.641 -2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.052 -5.274 -3.890 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.712 -5.825 -2.261 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.471 -4.420 -3.479 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.440 -8.478 -4.726 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.027 -6.386 -4.404 1.00 0.00 H new ATOM 546 N PRO A 37 7.157 -2.251 -1.046 1.00 0.00 N ATOM 547 CA PRO A 37 7.979 -1.929 0.111 1.00 0.00 C ATOM 548 C PRO A 37 7.401 -2.559 1.372 1.00 0.00 C ATOM 549 O PRO A 37 7.957 -3.514 1.913 1.00 0.00 O ATOM 550 CB PRO A 37 7.938 -0.399 0.195 1.00 0.00 C ATOM 551 CG PRO A 37 6.762 0.018 -0.620 1.00 0.00 C ATOM 552 CD PRO A 37 6.540 -1.059 -1.648 1.00 0.00 C ATOM 0 HA PRO A 37 8.996 -2.310 0.019 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.836 -0.066 1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.858 0.039 -0.192 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.880 0.140 0.009 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.946 0.979 -1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.479 -1.213 -1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.006 -0.805 -2.600 1.00 0.00 H new ATOM 560 N THR A 38 6.299 -1.999 1.854 1.00 0.00 N ATOM 561 CA THR A 38 5.669 -2.489 3.074 1.00 0.00 C ATOM 562 C THR A 38 4.508 -3.440 2.783 1.00 0.00 C ATOM 563 O THR A 38 4.541 -4.601 3.190 1.00 0.00 O ATOM 564 CB THR A 38 5.213 -1.316 3.956 1.00 0.00 C ATOM 565 OG1 THR A 38 4.397 -1.772 5.019 1.00 0.00 O ATOM 566 CG2 THR A 38 4.444 -0.234 3.220 1.00 0.00 C ATOM 0 H THR A 38 5.824 -1.207 1.421 1.00 0.00 H new ATOM 0 HA THR A 38 6.419 -3.063 3.619 1.00 0.00 H new ATOM 0 HB THR A 38 6.142 -0.876 4.320 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.119 -1.010 5.569 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.163 0.553 3.920 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.071 0.187 2.434 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.546 -0.664 2.777 1.00 0.00 H new ATOM 574 N LEU A 39 3.481 -2.959 2.088 1.00 0.00 N ATOM 575 CA LEU A 39 2.325 -3.797 1.767 1.00 0.00 C ATOM 576 C LEU A 39 1.440 -3.143 0.713 1.00 0.00 C ATOM 577 O LEU A 39 0.733 -2.181 0.997 1.00 0.00 O ATOM 578 CB LEU A 39 1.493 -4.098 3.020 1.00 0.00 C ATOM 579 CG LEU A 39 1.787 -3.233 4.244 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.151 -1.859 4.106 1.00 0.00 C ATOM 581 CD2 LEU A 39 1.292 -3.934 5.492 1.00 0.00 C ATOM 0 H LEU A 39 3.423 -2.003 1.738 1.00 0.00 H new ATOM 0 HA LEU A 39 2.713 -4.734 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.439 -3.987 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.648 -5.142 3.292 1.00 0.00 H new ATOM 0 HG LEU A 39 2.865 -3.089 4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.376 -1.264 4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.550 -1.361 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.071 -1.966 4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.503 -3.316 6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.217 -4.099 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.799 -4.893 5.596 1.00 0.00 H new ATOM 593 N ALA A 40 1.464 -3.684 -0.500 1.00 0.00 N ATOM 594 CA ALA A 40 0.652 -3.163 -1.597 1.00 0.00 C ATOM 595 C ALA A 40 -0.822 -3.025 -1.209 1.00 0.00 C ATOM 596 O ALA A 40 -1.420 -1.969 -1.405 1.00 0.00 O ATOM 597 CB ALA A 40 0.832 -4.052 -2.823 1.00 0.00 C ATOM 0 H ALA A 40 2.040 -4.488 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 40 0.995 -2.156 -1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.227 -3.666 -3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.882 -4.058 -3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.516 -5.068 -2.586 1.00 0.00 H new ATOM 603 N GLY A 41 -1.417 -4.082 -0.678 1.00 0.00 N ATOM 604 CA GLY A 41 -2.819 -4.012 -0.298 1.00 0.00 C ATOM 605 C GLY A 41 -3.118 -2.840 0.625 1.00 0.00 C ATOM 606 O GLY A 41 -3.832 -1.909 0.253 1.00 0.00 O ATOM 0 H GLY A 41 -0.964 -4.979 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.431 -3.928 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.104 -4.941 0.196 1.00 0.00 H new ATOM 610 N LYS A 42 -2.586 -2.909 1.840 1.00 0.00 N ATOM 611 CA LYS A 42 -2.806 -1.870 2.848 1.00 0.00 C ATOM 612 C LYS A 42 -2.255 -0.503 2.418 1.00 0.00 C ATOM 613 O LYS A 42 -2.860 0.528 2.712 1.00 0.00 O ATOM 614 CB LYS A 42 -2.185 -2.296 4.180 1.00 0.00 C ATOM 615 CG LYS A 42 -3.183 -2.932 5.134 1.00 0.00 C ATOM 616 CD LYS A 42 -2.822 -2.660 6.586 1.00 0.00 C ATOM 617 CE LYS A 42 -3.254 -1.268 7.013 1.00 0.00 C ATOM 618 NZ LYS A 42 -4.730 -1.097 6.921 1.00 0.00 N ATOM 0 H LYS A 42 -1.995 -3.678 2.156 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.884 -1.755 2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.377 -3.002 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.739 -1.425 4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.181 -2.545 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.216 -4.008 4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.298 -3.403 7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.746 -2.766 6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.930 -1.085 8.037 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.762 -0.526 6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.029 -0.319 7.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.993 -0.876 5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.200 -1.976 7.216 1.00 0.00 H new ATOM 632 N ILE A 43 -1.116 -0.488 1.726 1.00 0.00 N ATOM 633 CA ILE A 43 -0.513 0.771 1.273 1.00 0.00 C ATOM 634 C ILE A 43 -1.503 1.590 0.446 1.00 0.00 C ATOM 635 O ILE A 43 -1.607 2.807 0.594 1.00 0.00 O ATOM 636 CB ILE A 43 0.759 0.516 0.427 1.00 0.00 C ATOM 637 CG1 ILE A 43 1.718 1.702 0.492 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.399 0.221 -1.017 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.170 1.281 0.545 1.00 0.00 C ATOM 0 H ILE A 43 -0.594 -1.325 1.467 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.240 1.330 2.168 1.00 0.00 H new ATOM 0 HB ILE A 43 1.260 -0.354 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.561 2.338 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.486 2.303 1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.309 0.046 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.234 -0.665 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.138 1.071 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.804 2.166 0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.339 0.668 1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.415 0.705 -0.347 1.00 0.00 H new ATOM 651 N THR A 44 -2.218 0.904 -0.435 1.00 0.00 N ATOM 652 CA THR A 44 -3.189 1.541 -1.311 1.00 0.00 C ATOM 653 C THR A 44 -4.151 2.439 -0.538 1.00 0.00 C ATOM 654 O THR A 44 -4.393 3.581 -0.926 1.00 0.00 O ATOM 655 CB THR A 44 -3.972 0.477 -2.075 1.00 0.00 C ATOM 656 OG1 THR A 44 -3.095 -0.376 -2.789 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.952 1.059 -3.065 1.00 0.00 C ATOM 0 H THR A 44 -2.141 -0.105 -0.562 1.00 0.00 H new ATOM 0 HA THR A 44 -2.641 2.171 -2.012 1.00 0.00 H new ATOM 0 HB THR A 44 -4.527 -0.075 -1.317 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.667 -1.000 -2.166 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.477 0.251 -3.575 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.673 1.684 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.415 1.662 -3.797 1.00 0.00 H new ATOM 665 N GLY A 45 -4.696 1.919 0.556 1.00 0.00 N ATOM 666 CA GLY A 45 -5.628 2.693 1.358 1.00 0.00 C ATOM 667 C GLY A 45 -5.017 3.977 1.864 1.00 0.00 C ATOM 668 O GLY A 45 -5.652 5.033 1.839 1.00 0.00 O ATOM 0 H GLY A 45 -4.510 0.978 0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.512 2.923 0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.961 2.093 2.205 1.00 0.00 H new ATOM 672 N MET A 46 -3.778 3.885 2.316 1.00 0.00 N ATOM 673 CA MET A 46 -3.063 5.039 2.828 1.00 0.00 C ATOM 674 C MET A 46 -2.797 6.030 1.705 1.00 0.00 C ATOM 675 O MET A 46 -3.207 7.186 1.780 1.00 0.00 O ATOM 676 CB MET A 46 -1.757 4.595 3.485 1.00 0.00 C ATOM 677 CG MET A 46 -1.907 4.269 4.963 1.00 0.00 C ATOM 678 SD MET A 46 -2.756 2.705 5.249 1.00 0.00 S ATOM 679 CE MET A 46 -3.536 3.033 6.829 1.00 0.00 C ATOM 0 H MET A 46 -3.244 3.016 2.338 1.00 0.00 H new ATOM 0 HA MET A 46 -3.675 5.534 3.582 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.376 3.717 2.963 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.013 5.383 3.368 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.920 4.231 5.424 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.458 5.072 5.454 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.826 2.091 7.294 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.836 3.558 7.478 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.422 3.650 6.676 1.00 0.00 H new ATOM 689 N LEU A 47 -2.105 5.579 0.660 1.00 0.00 N ATOM 690 CA LEU A 47 -1.796 6.447 -0.458 1.00 0.00 C ATOM 691 C LEU A 47 -3.077 7.003 -1.067 1.00 0.00 C ATOM 692 O LEU A 47 -3.043 8.004 -1.784 1.00 0.00 O ATOM 693 CB LEU A 47 -1.012 5.684 -1.526 1.00 0.00 C ATOM 694 CG LEU A 47 0.406 5.261 -1.149 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.409 6.279 -1.664 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.577 5.066 0.345 1.00 0.00 C ATOM 0 H LEU A 47 -1.754 4.626 0.571 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.187 7.273 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.577 4.790 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.958 6.305 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 47 0.590 4.295 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.417 5.968 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.333 6.348 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.198 7.253 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.603 4.766 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.358 6.001 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.107 4.291 0.691 1.00 0.00 H new ATOM 708 N LEU A 48 -4.208 6.333 -0.811 1.00 0.00 N ATOM 709 CA LEU A 48 -5.506 6.748 -1.365 1.00 0.00 C ATOM 710 C LEU A 48 -5.916 8.162 -0.929 1.00 0.00 C ATOM 711 O LEU A 48 -7.106 8.480 -0.897 1.00 0.00 O ATOM 712 CB LEU A 48 -6.597 5.741 -0.960 1.00 0.00 C ATOM 713 CG LEU A 48 -7.309 5.038 -2.123 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.417 3.962 -2.711 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.633 4.428 -1.673 1.00 0.00 C ATOM 0 H LEU A 48 -4.252 5.500 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.396 6.766 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.147 4.982 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.344 6.262 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.521 5.786 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.934 3.471 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.496 4.414 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.179 3.227 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.114 3.937 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.448 3.697 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.285 5.214 -1.291 1.00 0.00 H new ATOM 727 N GLU A 49 -4.943 9.009 -0.610 1.00 0.00 N ATOM 728 CA GLU A 49 -5.224 10.378 -0.200 1.00 0.00 C ATOM 729 C GLU A 49 -5.559 11.250 -1.410 1.00 0.00 C ATOM 730 O GLU A 49 -6.002 12.389 -1.258 1.00 0.00 O ATOM 731 CB GLU A 49 -4.017 10.962 0.541 1.00 0.00 C ATOM 732 CG GLU A 49 -4.383 11.773 1.775 1.00 0.00 C ATOM 733 CD GLU A 49 -3.973 13.231 1.665 1.00 0.00 C ATOM 734 OE1 GLU A 49 -3.112 13.544 0.817 1.00 0.00 O ATOM 735 OE2 GLU A 49 -4.515 14.058 2.429 1.00 0.00 O ATOM 0 H GLU A 49 -3.952 8.770 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.086 10.365 0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.356 10.147 0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.454 11.596 -0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.459 11.714 1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.905 11.331 2.649 1.00 0.00 H new ATOM 742 N ILE A 50 -5.334 10.718 -2.616 1.00 0.00 N ATOM 743 CA ILE A 50 -5.606 11.469 -3.836 1.00 0.00 C ATOM 744 C ILE A 50 -6.824 10.925 -4.589 1.00 0.00 C ATOM 745 O ILE A 50 -7.355 9.865 -4.256 1.00 0.00 O ATOM 746 CB ILE A 50 -4.367 11.495 -4.763 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.264 12.854 -5.455 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.409 10.367 -5.788 1.00 0.00 C ATOM 749 CD1 ILE A 50 -2.941 13.549 -5.221 1.00 0.00 C ATOM 0 H ILE A 50 -4.967 9.778 -2.768 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.836 12.490 -3.532 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.479 11.340 -4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.411 12.720 -6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.071 13.496 -5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.523 10.417 -6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.432 9.407 -5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.302 10.469 -6.405 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.936 14.507 -5.740 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.801 13.715 -4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.131 12.927 -5.601 1.00 0.00 H new ATOM 761 N ASP A 51 -7.238 11.655 -5.626 1.00 0.00 N ATOM 762 CA ASP A 51 -8.363 11.264 -6.467 1.00 0.00 C ATOM 763 C ASP A 51 -7.998 10.120 -7.411 1.00 0.00 C ATOM 764 O ASP A 51 -6.864 10.037 -7.886 1.00 0.00 O ATOM 765 CB ASP A 51 -8.861 12.465 -7.276 1.00 0.00 C ATOM 766 CG ASP A 51 -10.362 12.652 -7.171 1.00 0.00 C ATOM 767 OD1 ASP A 51 -10.920 12.377 -6.088 1.00 0.00 O ATOM 768 OD2 ASP A 51 -10.979 13.071 -8.172 1.00 0.00 O ATOM 0 H ASP A 51 -6.801 12.534 -5.904 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.157 10.913 -5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.360 13.368 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.587 12.333 -8.323 1.00 0.00 H new ATOM 773 N ASN A 52 -8.968 9.260 -7.713 1.00 0.00 N ATOM 774 CA ASN A 52 -8.740 8.153 -8.640 1.00 0.00 C ATOM 775 C ASN A 52 -8.126 8.667 -9.947 1.00 0.00 C ATOM 776 O ASN A 52 -7.465 7.921 -10.668 1.00 0.00 O ATOM 777 CB ASN A 52 -10.061 7.426 -8.930 1.00 0.00 C ATOM 778 CG ASN A 52 -10.024 6.575 -10.192 1.00 0.00 C ATOM 779 OD1 ASN A 52 -9.832 7.088 -11.296 1.00 0.00 O ATOM 780 ND2 ASN A 52 -10.220 5.267 -10.037 1.00 0.00 N ATOM 0 H ASN A 52 -9.913 9.307 -7.333 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.043 7.453 -8.179 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.310 6.790 -8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.859 8.163 -9.022 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.215 4.651 -10.850 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.375 4.881 -9.106 1.00 0.00 H new ATOM 787 N SER A 53 -8.370 9.942 -10.252 1.00 0.00 N ATOM 788 CA SER A 53 -7.864 10.550 -11.480 1.00 0.00 C ATOM 789 C SER A 53 -6.354 10.772 -11.424 1.00 0.00 C ATOM 790 O SER A 53 -5.667 10.692 -12.443 1.00 0.00 O ATOM 791 CB SER A 53 -8.572 11.880 -11.743 1.00 0.00 C ATOM 792 OG SER A 53 -8.206 12.413 -13.004 1.00 0.00 O ATOM 0 H SER A 53 -8.915 10.573 -9.664 1.00 0.00 H new ATOM 0 HA SER A 53 -8.071 9.858 -12.296 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.652 11.734 -11.706 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.319 12.592 -10.957 1.00 0.00 H new ATOM 0 HG SER A 53 -8.673 13.262 -13.148 1.00 0.00 H new ATOM 798 N GLU A 54 -5.841 11.053 -10.233 1.00 0.00 N ATOM 799 CA GLU A 54 -4.413 11.289 -10.060 1.00 0.00 C ATOM 800 C GLU A 54 -3.634 9.980 -10.095 1.00 0.00 C ATOM 801 O GLU A 54 -2.617 9.872 -10.781 1.00 0.00 O ATOM 802 CB GLU A 54 -4.155 12.020 -8.744 1.00 0.00 C ATOM 803 CG GLU A 54 -3.774 13.480 -8.924 1.00 0.00 C ATOM 804 CD GLU A 54 -2.293 13.671 -9.192 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.494 12.820 -8.745 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.932 14.671 -9.846 1.00 0.00 O ATOM 0 H GLU A 54 -6.389 11.123 -9.376 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.069 11.911 -10.886 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.049 11.960 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.358 11.509 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.346 13.901 -9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.052 14.037 -8.029 1.00 0.00 H new ATOM 813 N LEU A 55 -4.115 8.987 -9.355 1.00 0.00 N ATOM 814 CA LEU A 55 -3.458 7.687 -9.308 1.00 0.00 C ATOM 815 C LEU A 55 -3.388 7.068 -10.700 1.00 0.00 C ATOM 816 O LEU A 55 -2.481 6.289 -10.995 1.00 0.00 O ATOM 817 CB LEU A 55 -4.191 6.754 -8.344 1.00 0.00 C ATOM 818 CG LEU A 55 -4.347 7.297 -6.924 1.00 0.00 C ATOM 819 CD1 LEU A 55 -5.252 6.395 -6.106 1.00 0.00 C ATOM 820 CD2 LEU A 55 -2.991 7.448 -6.253 1.00 0.00 C ATOM 0 H LEU A 55 -4.955 9.057 -8.781 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.440 7.830 -8.946 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.181 6.541 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.655 5.806 -8.299 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.808 8.283 -6.984 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.352 6.797 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.235 6.344 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.821 5.395 -6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.126 7.836 -5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.498 6.477 -6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.375 8.140 -6.828 1.00 0.00 H new ATOM 832 N LEU A 56 -4.334 7.433 -11.559 1.00 0.00 N ATOM 833 CA LEU A 56 -4.352 6.925 -12.925 1.00 0.00 C ATOM 834 C LEU A 56 -3.148 7.467 -13.685 1.00 0.00 C ATOM 835 O LEU A 56 -2.443 6.727 -14.370 1.00 0.00 O ATOM 836 CB LEU A 56 -5.653 7.320 -13.630 1.00 0.00 C ATOM 837 CG LEU A 56 -6.616 6.161 -13.910 1.00 0.00 C ATOM 838 CD1 LEU A 56 -7.997 6.454 -13.339 1.00 0.00 C ATOM 839 CD2 LEU A 56 -6.702 5.887 -15.405 1.00 0.00 C ATOM 0 H LEU A 56 -5.094 8.075 -11.335 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.299 5.837 -12.900 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.169 8.062 -13.020 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.404 7.802 -14.575 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.227 5.269 -13.418 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.663 5.617 -13.550 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.922 6.595 -12.261 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.395 7.359 -13.797 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.390 5.061 -15.585 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.063 6.778 -15.918 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.714 5.625 -15.784 1.00 0.00 H new ATOM 851 N HIS A 57 -2.914 8.770 -13.541 1.00 0.00 N ATOM 852 CA HIS A 57 -1.786 9.419 -14.197 1.00 0.00 C ATOM 853 C HIS A 57 -0.480 8.748 -13.781 1.00 0.00 C ATOM 854 O HIS A 57 0.450 8.621 -14.577 1.00 0.00 O ATOM 855 CB HIS A 57 -1.754 10.909 -13.845 1.00 0.00 C ATOM 856 CG HIS A 57 -1.758 11.804 -15.044 1.00 0.00 C ATOM 857 ND1 HIS A 57 -1.261 11.419 -16.269 1.00 0.00 N ATOM 858 CD2 HIS A 57 -2.206 13.072 -15.204 1.00 0.00 C ATOM 859 CE1 HIS A 57 -1.400 12.408 -17.132 1.00 0.00 C ATOM 860 NE2 HIS A 57 -1.973 13.423 -16.512 1.00 0.00 N ATOM 0 H HIS A 57 -3.490 9.394 -12.977 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.902 9.319 -15.276 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.616 11.146 -13.221 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.864 11.115 -13.250 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.661 13.691 -14.445 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.097 12.390 -18.168 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.205 14.322 -16.935 1.00 0.00 H new ATOM 868 N MET A 58 -0.429 8.307 -12.526 1.00 0.00 N ATOM 869 CA MET A 58 0.746 7.633 -11.990 1.00 0.00 C ATOM 870 C MET A 58 0.986 6.317 -12.728 1.00 0.00 C ATOM 871 O MET A 58 2.121 5.961 -13.046 1.00 0.00 O ATOM 872 CB MET A 58 0.554 7.367 -10.494 1.00 0.00 C ATOM 873 CG MET A 58 0.192 8.607 -9.694 1.00 0.00 C ATOM 874 SD MET A 58 1.389 9.940 -9.896 1.00 0.00 S ATOM 875 CE MET A 58 0.403 11.150 -10.775 1.00 0.00 C ATOM 0 H MET A 58 -1.194 8.406 -11.859 1.00 0.00 H new ATOM 0 HA MET A 58 1.615 8.275 -12.131 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.230 6.620 -10.365 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.471 6.940 -10.089 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.793 8.959 -10.002 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.121 8.345 -8.638 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.883 11.391 -11.723 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.590 10.742 -10.964 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.315 12.054 -10.173 1.00 0.00 H new ATOM 885 N LEU A 59 -0.102 5.599 -12.978 1.00 0.00 N ATOM 886 CA LEU A 59 -0.043 4.310 -13.661 1.00 0.00 C ATOM 887 C LEU A 59 0.553 4.453 -15.060 1.00 0.00 C ATOM 888 O LEU A 59 1.127 3.505 -15.595 1.00 0.00 O ATOM 889 CB LEU A 59 -1.448 3.690 -13.719 1.00 0.00 C ATOM 890 CG LEU A 59 -1.720 2.745 -14.898 1.00 0.00 C ATOM 891 CD1 LEU A 59 -2.396 1.466 -14.420 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.573 3.442 -15.951 1.00 0.00 C ATOM 0 H LEU A 59 -1.044 5.890 -12.716 1.00 0.00 H new ATOM 0 HA LEU A 59 0.612 3.645 -13.097 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.620 3.142 -12.793 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.179 4.498 -13.751 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.765 2.475 -15.349 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.579 0.811 -15.272 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.749 0.958 -13.704 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.344 1.712 -13.941 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.757 2.759 -16.780 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.524 3.741 -15.509 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.049 4.325 -16.317 1.00 0.00 H new ATOM 904 N GLU A 60 0.437 5.638 -15.642 1.00 0.00 N ATOM 905 CA GLU A 60 0.990 5.883 -16.968 1.00 0.00 C ATOM 906 C GLU A 60 2.323 6.626 -16.872 1.00 0.00 C ATOM 907 O GLU A 60 3.009 6.814 -17.877 1.00 0.00 O ATOM 908 CB GLU A 60 0.005 6.684 -17.822 1.00 0.00 C ATOM 909 CG GLU A 60 -1.430 6.203 -17.705 1.00 0.00 C ATOM 910 CD GLU A 60 -2.432 7.239 -18.176 1.00 0.00 C ATOM 911 OE1 GLU A 60 -2.306 8.413 -17.771 1.00 0.00 O ATOM 912 OE2 GLU A 60 -3.343 6.875 -18.950 1.00 0.00 O ATOM 0 H GLU A 60 -0.032 6.440 -15.221 1.00 0.00 H new ATOM 0 HA GLU A 60 1.164 4.918 -17.444 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.053 7.733 -17.530 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.314 6.629 -18.866 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.553 5.292 -18.290 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.640 5.946 -16.667 1.00 0.00 H new ATOM 919 N SER A 61 2.688 7.043 -15.661 1.00 0.00 N ATOM 920 CA SER A 61 3.939 7.758 -15.444 1.00 0.00 C ATOM 921 C SER A 61 4.573 7.369 -14.110 1.00 0.00 C ATOM 922 O SER A 61 4.350 8.026 -13.093 1.00 0.00 O ATOM 923 CB SER A 61 3.702 9.268 -15.493 1.00 0.00 C ATOM 924 OG SER A 61 4.895 9.981 -15.220 1.00 0.00 O ATOM 0 H SER A 61 2.134 6.897 -14.817 1.00 0.00 H new ATOM 0 HA SER A 61 4.628 7.479 -16.241 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.324 9.548 -16.476 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.936 9.543 -14.767 1.00 0.00 H new ATOM 0 HG SER A 61 4.717 10.944 -15.259 1.00 0.00 H new ATOM 930 N PRO A 62 5.379 6.292 -14.095 1.00 0.00 N ATOM 931 CA PRO A 62 6.048 5.821 -12.876 1.00 0.00 C ATOM 932 C PRO A 62 6.844 6.928 -12.183 1.00 0.00 C ATOM 933 O PRO A 62 7.111 6.857 -10.983 1.00 0.00 O ATOM 934 CB PRO A 62 6.992 4.729 -13.385 1.00 0.00 C ATOM 935 CG PRO A 62 6.374 4.252 -14.654 1.00 0.00 C ATOM 936 CD PRO A 62 5.702 5.450 -15.263 1.00 0.00 C ATOM 0 HA PRO A 62 5.332 5.473 -12.131 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.994 5.121 -13.556 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.086 3.919 -12.662 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.129 3.844 -15.326 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.654 3.456 -14.462 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.359 5.967 -15.962 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.806 5.170 -15.816 1.00 0.00 H new ATOM 944 N GLU A 63 7.223 7.944 -12.952 1.00 0.00 N ATOM 945 CA GLU A 63 7.998 9.068 -12.429 1.00 0.00 C ATOM 946 C GLU A 63 7.261 9.768 -11.288 1.00 0.00 C ATOM 947 O GLU A 63 7.739 9.792 -10.152 1.00 0.00 O ATOM 948 CB GLU A 63 8.299 10.065 -13.549 1.00 0.00 C ATOM 949 CG GLU A 63 8.554 9.399 -14.891 1.00 0.00 C ATOM 950 CD GLU A 63 9.633 10.091 -15.703 1.00 0.00 C ATOM 951 OE1 GLU A 63 10.244 11.051 -15.188 1.00 0.00 O ATOM 952 OE2 GLU A 63 9.867 9.671 -16.857 1.00 0.00 O ATOM 0 H GLU A 63 7.005 8.013 -13.946 1.00 0.00 H new ATOM 0 HA GLU A 63 8.935 8.676 -12.034 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.461 10.756 -13.647 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.171 10.658 -13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.842 8.361 -14.726 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.628 9.386 -15.465 1.00 0.00 H new ATOM 959 N SER A 64 6.090 10.319 -11.588 1.00 0.00 N ATOM 960 CA SER A 64 5.294 10.998 -10.574 1.00 0.00 C ATOM 961 C SER A 64 4.770 9.973 -9.585 1.00 0.00 C ATOM 962 O SER A 64 4.617 10.248 -8.394 1.00 0.00 O ATOM 963 CB SER A 64 4.127 11.754 -11.214 1.00 0.00 C ATOM 964 OG SER A 64 4.455 13.116 -11.432 1.00 0.00 O ATOM 0 H SER A 64 5.674 10.309 -12.519 1.00 0.00 H new ATOM 0 HA SER A 64 5.922 11.723 -10.056 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.863 11.285 -12.162 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.250 11.687 -10.570 1.00 0.00 H new ATOM 0 HG SER A 64 3.693 13.574 -11.843 1.00 0.00 H new ATOM 970 N LEU A 65 4.490 8.783 -10.100 1.00 0.00 N ATOM 971 CA LEU A 65 3.973 7.697 -9.288 1.00 0.00 C ATOM 972 C LEU A 65 4.919 7.406 -8.126 1.00 0.00 C ATOM 973 O LEU A 65 4.517 7.476 -6.966 1.00 0.00 O ATOM 974 CB LEU A 65 3.797 6.441 -10.147 1.00 0.00 C ATOM 975 CG LEU A 65 3.504 5.147 -9.380 1.00 0.00 C ATOM 976 CD1 LEU A 65 4.795 4.542 -8.853 1.00 0.00 C ATOM 977 CD2 LEU A 65 2.526 5.397 -8.239 1.00 0.00 C ATOM 0 H LEU A 65 4.615 8.548 -11.085 1.00 0.00 H new ATOM 0 HA LEU A 65 3.004 7.992 -8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.984 6.616 -10.852 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.703 6.296 -10.735 1.00 0.00 H new ATOM 0 HG LEU A 65 3.042 4.440 -10.069 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.571 3.623 -8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.459 4.318 -9.688 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.282 5.250 -8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.336 4.462 -7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.952 6.124 -7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.590 5.784 -8.641 1.00 0.00 H new ATOM 989 N ARG A 66 6.173 7.084 -8.431 1.00 0.00 N ATOM 990 CA ARG A 66 7.143 6.789 -7.379 1.00 0.00 C ATOM 991 C ARG A 66 7.234 7.942 -6.382 1.00 0.00 C ATOM 992 O ARG A 66 7.565 7.743 -5.213 1.00 0.00 O ATOM 993 CB ARG A 66 8.522 6.499 -7.981 1.00 0.00 C ATOM 994 CG ARG A 66 8.970 5.056 -7.798 1.00 0.00 C ATOM 995 CD ARG A 66 10.206 4.961 -6.919 1.00 0.00 C ATOM 996 NE ARG A 66 11.324 5.730 -7.457 1.00 0.00 N ATOM 997 CZ ARG A 66 12.025 5.372 -8.532 1.00 0.00 C ATOM 998 NH1 ARG A 66 11.730 4.254 -9.182 1.00 0.00 N ATOM 999 NH2 ARG A 66 13.021 6.136 -8.956 1.00 0.00 N ATOM 0 H ARG A 66 6.538 7.021 -9.381 1.00 0.00 H new ATOM 0 HA ARG A 66 6.801 5.901 -6.847 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.502 6.733 -9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.257 7.161 -7.523 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.161 4.477 -7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.180 4.614 -8.772 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.967 5.321 -5.918 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.500 3.916 -6.820 1.00 0.00 H new ATOM 0 HE ARG A 66 11.584 6.594 -6.981 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.963 3.664 -8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.270 3.985 -10.004 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.250 6.997 -8.460 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.558 5.863 -9.779 1.00 0.00 H new ATOM 1013 N SER A 67 6.937 9.147 -6.853 1.00 0.00 N ATOM 1014 CA SER A 67 6.985 10.331 -6.004 1.00 0.00 C ATOM 1015 C SER A 67 6.050 10.193 -4.803 1.00 0.00 C ATOM 1016 O SER A 67 6.420 10.523 -3.674 1.00 0.00 O ATOM 1017 CB SER A 67 6.606 11.571 -6.816 1.00 0.00 C ATOM 1018 OG SER A 67 7.494 12.644 -6.556 1.00 0.00 O ATOM 0 H SER A 67 6.661 9.330 -7.818 1.00 0.00 H new ATOM 0 HA SER A 67 8.004 10.436 -5.630 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.622 11.332 -7.879 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.587 11.871 -6.572 1.00 0.00 H new ATOM 0 HG SER A 67 7.230 13.423 -7.089 1.00 0.00 H new ATOM 1024 N LYS A 68 4.836 9.712 -5.052 1.00 0.00 N ATOM 1025 CA LYS A 68 3.843 9.543 -3.991 1.00 0.00 C ATOM 1026 C LYS A 68 4.118 8.286 -3.173 1.00 0.00 C ATOM 1027 O LYS A 68 4.131 8.326 -1.942 1.00 0.00 O ATOM 1028 CB LYS A 68 2.425 9.489 -4.579 1.00 0.00 C ATOM 1029 CG LYS A 68 2.221 10.373 -5.805 1.00 0.00 C ATOM 1030 CD LYS A 68 1.497 11.665 -5.455 1.00 0.00 C ATOM 1031 CE LYS A 68 0.391 11.979 -6.453 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.473 13.378 -6.953 1.00 0.00 N ATOM 0 H LYS A 68 4.514 9.432 -5.978 1.00 0.00 H new ATOM 0 HA LYS A 68 3.917 10.405 -3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.194 8.458 -4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.713 9.786 -3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.188 10.607 -6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.649 9.827 -6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.072 11.584 -4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.211 12.488 -5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.455 11.289 -7.294 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.579 11.818 -5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.266 13.535 -7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.335 14.038 -6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.407 13.540 -7.380 1.00 0.00 H new ATOM 1046 N VAL A 69 4.338 7.173 -3.862 1.00 0.00 N ATOM 1047 CA VAL A 69 4.619 5.902 -3.204 1.00 0.00 C ATOM 1048 C VAL A 69 5.815 6.026 -2.272 1.00 0.00 C ATOM 1049 O VAL A 69 5.747 5.652 -1.102 1.00 0.00 O ATOM 1050 CB VAL A 69 4.921 4.801 -4.233 1.00 0.00 C ATOM 1051 CG1 VAL A 69 5.031 3.452 -3.547 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.860 4.779 -5.319 1.00 0.00 C ATOM 0 H VAL A 69 4.327 7.125 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 69 3.730 5.636 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 69 5.879 5.019 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.245 2.683 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.836 3.482 -2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.091 3.221 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.091 3.993 -6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.885 4.586 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.841 5.742 -5.828 1.00 0.00 H new ATOM 1062 N ASP A 70 6.903 6.559 -2.804 1.00 0.00 N ATOM 1063 CA ASP A 70 8.131 6.744 -2.034 1.00 0.00 C ATOM 1064 C ASP A 70 7.834 7.413 -0.696 1.00 0.00 C ATOM 1065 O ASP A 70 8.110 6.854 0.367 1.00 0.00 O ATOM 1066 CB ASP A 70 9.131 7.585 -2.827 1.00 0.00 C ATOM 1067 CG ASP A 70 10.448 7.762 -2.095 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.942 6.773 -1.516 1.00 0.00 O ATOM 1069 OD2 ASP A 70 10.981 8.890 -2.101 1.00 0.00 O ATOM 0 H ASP A 70 6.964 6.874 -3.772 1.00 0.00 H new ATOM 0 HA ASP A 70 8.565 5.762 -1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.315 7.111 -3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.697 8.564 -3.030 1.00 0.00 H new ATOM 1074 N GLU A 71 7.267 8.614 -0.759 1.00 0.00 N ATOM 1075 CA GLU A 71 6.923 9.370 0.446 1.00 0.00 C ATOM 1076 C GLU A 71 6.139 8.507 1.415 1.00 0.00 C ATOM 1077 O GLU A 71 6.507 8.376 2.581 1.00 0.00 O ATOM 1078 CB GLU A 71 6.131 10.624 0.066 1.00 0.00 C ATOM 1079 CG GLU A 71 6.984 11.884 0.018 1.00 0.00 C ATOM 1080 CD GLU A 71 8.098 11.797 -1.007 1.00 0.00 C ATOM 1081 OE1 GLU A 71 9.004 10.958 -0.827 1.00 0.00 O ATOM 1082 OE2 GLU A 71 8.065 12.572 -1.986 1.00 0.00 O ATOM 0 H GLU A 71 7.035 9.087 -1.632 1.00 0.00 H new ATOM 0 HA GLU A 71 7.843 9.677 0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.667 10.471 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.324 10.767 0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.349 12.739 -0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.415 12.064 1.003 1.00 0.00 H new ATOM 1089 N ALA A 72 5.072 7.903 0.927 1.00 0.00 N ATOM 1090 CA ALA A 72 4.252 7.038 1.752 1.00 0.00 C ATOM 1091 C ALA A 72 5.097 5.991 2.470 1.00 0.00 C ATOM 1092 O ALA A 72 4.929 5.759 3.663 1.00 0.00 O ATOM 1093 CB ALA A 72 3.201 6.375 0.900 1.00 0.00 C ATOM 0 H ALA A 72 4.753 7.996 -0.037 1.00 0.00 H new ATOM 0 HA ALA A 72 3.767 7.647 2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.585 5.725 1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.573 7.137 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.683 5.783 0.122 1.00 0.00 H new ATOM 1099 N VAL A 73 6.012 5.362 1.738 1.00 0.00 N ATOM 1100 CA VAL A 73 6.877 4.340 2.324 1.00 0.00 C ATOM 1101 C VAL A 73 7.549 4.869 3.584 1.00 0.00 C ATOM 1102 O VAL A 73 7.674 4.158 4.579 1.00 0.00 O ATOM 1103 CB VAL A 73 7.972 3.863 1.347 1.00 0.00 C ATOM 1104 CG1 VAL A 73 8.531 2.520 1.795 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.441 3.775 -0.077 1.00 0.00 C ATOM 0 H VAL A 73 6.174 5.539 0.747 1.00 0.00 H new ATOM 0 HA VAL A 73 6.234 3.492 2.562 1.00 0.00 H new ATOM 0 HB VAL A 73 8.777 4.598 1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.302 2.196 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.962 2.619 2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.729 1.782 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.236 3.436 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.612 3.068 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.094 4.757 -0.397 1.00 0.00 H new ATOM 1115 N ALA A 74 7.974 6.126 3.535 1.00 0.00 N ATOM 1116 CA ALA A 74 8.626 6.758 4.671 1.00 0.00 C ATOM 1117 C ALA A 74 7.623 7.068 5.777 1.00 0.00 C ATOM 1118 O ALA A 74 7.795 6.655 6.924 1.00 0.00 O ATOM 1119 CB ALA A 74 9.333 8.028 4.226 1.00 0.00 C ATOM 0 H ALA A 74 7.877 6.728 2.717 1.00 0.00 H new ATOM 0 HA ALA A 74 9.364 6.063 5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.818 8.494 5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.083 7.783 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.606 8.719 3.801 1.00 0.00 H new ATOM 1125 N VAL A 75 6.579 7.810 5.423 1.00 0.00 N ATOM 1126 CA VAL A 75 5.547 8.190 6.382 1.00 0.00 C ATOM 1127 C VAL A 75 4.716 6.996 6.831 1.00 0.00 C ATOM 1128 O VAL A 75 4.660 6.675 8.017 1.00 0.00 O ATOM 1129 CB VAL A 75 4.619 9.273 5.795 1.00 0.00 C ATOM 1130 CG1 VAL A 75 4.053 8.885 4.440 1.00 0.00 C ATOM 1131 CG2 VAL A 75 3.512 9.635 6.775 1.00 0.00 C ATOM 0 H VAL A 75 6.425 8.161 4.478 1.00 0.00 H new ATOM 0 HA VAL A 75 6.064 8.592 7.254 1.00 0.00 H new ATOM 0 HB VAL A 75 5.232 10.159 5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.407 9.683 4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.870 8.727 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.475 7.966 4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.873 10.401 6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.917 8.749 6.996 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.952 10.015 7.697 1.00 0.00 H new ATOM 1141 N LEU A 76 4.057 6.361 5.882 1.00 0.00 N ATOM 1142 CA LEU A 76 3.201 5.207 6.174 1.00 0.00 C ATOM 1143 C LEU A 76 3.936 4.170 7.016 1.00 0.00 C ATOM 1144 O LEU A 76 3.543 3.882 8.147 1.00 0.00 O ATOM 1145 CB LEU A 76 2.706 4.557 4.881 1.00 0.00 C ATOM 1146 CG LEU A 76 1.833 3.315 5.077 1.00 0.00 C ATOM 1147 CD1 LEU A 76 0.841 3.168 3.933 1.00 0.00 C ATOM 1148 CD2 LEU A 76 2.702 2.073 5.193 1.00 0.00 C ATOM 0 H LEU A 76 4.092 6.619 4.896 1.00 0.00 H new ATOM 0 HA LEU A 76 2.346 5.574 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.139 5.296 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.570 4.284 4.275 1.00 0.00 H new ATOM 0 HG LEU A 76 1.269 3.433 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.231 2.279 4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.198 4.047 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.383 3.072 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.068 1.197 5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.290 1.954 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.371 2.176 6.047 1.00 0.00 H new ATOM 1160 N GLN A 77 5.000 3.607 6.455 1.00 0.00 N ATOM 1161 CA GLN A 77 5.778 2.595 7.163 1.00 0.00 C ATOM 1162 C GLN A 77 6.145 3.095 8.558 1.00 0.00 C ATOM 1163 O GLN A 77 6.345 2.304 9.481 1.00 0.00 O ATOM 1164 CB GLN A 77 7.048 2.245 6.392 1.00 0.00 C ATOM 1165 CG GLN A 77 7.792 1.048 6.961 1.00 0.00 C ATOM 1166 CD GLN A 77 7.664 -0.188 6.094 1.00 0.00 C ATOM 1167 OE1 GLN A 77 8.287 -0.287 5.038 1.00 0.00 O ATOM 1168 NE2 GLN A 77 6.850 -1.140 6.540 1.00 0.00 N ATOM 0 H GLN A 77 5.342 3.831 5.521 1.00 0.00 H new ATOM 0 HA GLN A 77 5.166 1.697 7.250 1.00 0.00 H new ATOM 0 HB2 GLN A 77 6.788 2.041 5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 77 7.713 3.109 6.391 1.00 0.00 H new ATOM 0 HG2 GLN A 77 8.846 1.301 7.073 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.410 0.828 7.958 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.353 -1.014 7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.722 -1.996 6.000 1.00 0.00 H new ATOM 1177 N ALA A 78 6.221 4.416 8.700 1.00 0.00 N ATOM 1178 CA ALA A 78 6.549 5.036 9.977 1.00 0.00 C ATOM 1179 C ALA A 78 5.322 5.122 10.883 1.00 0.00 C ATOM 1180 O ALA A 78 5.378 4.750 12.053 1.00 0.00 O ATOM 1181 CB ALA A 78 7.142 6.418 9.749 1.00 0.00 C ATOM 0 H ALA A 78 6.059 5.079 7.942 1.00 0.00 H new ATOM 0 HA ALA A 78 7.288 4.412 10.479 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.384 6.873 10.709 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.049 6.331 9.150 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.419 7.042 9.224 1.00 0.00 H new ATOM 1187 N HIS A 79 4.211 5.617 10.334 1.00 0.00 N ATOM 1188 CA HIS A 79 2.976 5.751 11.101 1.00 0.00 C ATOM 1189 C HIS A 79 2.355 4.385 11.396 1.00 0.00 C ATOM 1190 O HIS A 79 1.404 4.282 12.172 1.00 0.00 O ATOM 1191 CB HIS A 79 1.972 6.637 10.352 1.00 0.00 C ATOM 1192 CG HIS A 79 1.713 7.945 11.034 1.00 0.00 C ATOM 1193 ND1 HIS A 79 0.738 8.113 11.994 1.00 0.00 N ATOM 1194 CD2 HIS A 79 2.312 9.152 10.897 1.00 0.00 C ATOM 1195 CE1 HIS A 79 0.747 9.364 12.419 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.694 10.015 11.768 1.00 0.00 N ATOM 0 H HIS A 79 4.143 5.930 9.366 1.00 0.00 H new ATOM 0 HA HIS A 79 3.225 6.223 12.052 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.346 6.827 9.346 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.031 6.098 10.246 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.125 9.391 10.227 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.093 9.782 13.170 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.928 11.000 11.892 1.00 0.00 H new ATOM 1536 N LYS B 5 5.033 12.796 5.155 1.00 0.00 N ATOM 1537 CA LYS B 5 5.271 12.830 3.718 1.00 0.00 C ATOM 1538 C LYS B 5 4.012 13.202 2.932 1.00 0.00 C ATOM 1539 O LYS B 5 3.004 13.614 3.506 1.00 0.00 O ATOM 1540 CB LYS B 5 5.820 11.488 3.252 1.00 0.00 C ATOM 1541 CG LYS B 5 6.957 10.970 4.118 1.00 0.00 C ATOM 1542 CD LYS B 5 8.304 11.483 3.632 1.00 0.00 C ATOM 1543 CE LYS B 5 9.404 11.222 4.651 1.00 0.00 C ATOM 1544 NZ LYS B 5 10.138 12.466 5.012 1.00 0.00 N ATOM 0 HA LYS B 5 6.008 13.609 3.522 1.00 0.00 H new ATOM 0 HB2 LYS B 5 5.013 10.755 3.247 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.170 11.584 2.224 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.799 11.280 5.151 1.00 0.00 H new ATOM 0 HG3 LYS B 5 6.956 9.880 4.108 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.559 11.000 2.689 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.237 12.553 3.434 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.969 10.784 5.550 1.00 0.00 H new ATOM 0 HE3 LYS B 5 10.105 10.491 4.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.878 12.243 5.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 10.575 12.871 4.160 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 9.474 13.154 5.421 1.00 0.00 H new ATOM 1558 N LEU B 6 4.094 13.074 1.607 1.00 0.00 N ATOM 1559 CA LEU B 6 2.980 13.419 0.720 1.00 0.00 C ATOM 1560 C LEU B 6 1.795 12.466 0.878 1.00 0.00 C ATOM 1561 O LEU B 6 0.646 12.907 0.928 1.00 0.00 O ATOM 1562 CB LEU B 6 3.451 13.435 -0.736 1.00 0.00 C ATOM 1563 CG LEU B 6 4.434 14.556 -1.079 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.340 14.143 -2.227 1.00 0.00 C ATOM 1565 CD2 LEU B 6 3.683 15.833 -1.424 1.00 0.00 C ATOM 0 H LEU B 6 4.924 12.732 1.122 1.00 0.00 H new ATOM 0 HA LEU B 6 2.637 14.414 1.005 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.920 12.477 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.579 13.524 -1.384 1.00 0.00 H new ATOM 0 HG LEU B 6 5.057 14.746 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.031 14.954 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.904 13.254 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.735 13.924 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.397 16.621 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.036 15.654 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.078 16.141 -0.571 1.00 0.00 H new ATOM 1577 N SER B 7 2.066 11.167 0.970 1.00 0.00 N ATOM 1578 CA SER B 7 0.999 10.190 1.134 1.00 0.00 C ATOM 1579 C SER B 7 1.035 9.580 2.531 1.00 0.00 C ATOM 1580 O SER B 7 1.437 8.432 2.712 1.00 0.00 O ATOM 1581 CB SER B 7 1.114 9.097 0.076 1.00 0.00 C ATOM 1582 OG SER B 7 -0.001 9.116 -0.800 1.00 0.00 O ATOM 0 H SER B 7 3.006 10.771 0.934 1.00 0.00 H new ATOM 0 HA SER B 7 0.045 10.701 1.008 1.00 0.00 H new ATOM 0 HB2 SER B 7 2.032 9.235 -0.495 1.00 0.00 H new ATOM 0 HB3 SER B 7 1.183 8.123 0.561 1.00 0.00 H new ATOM 0 HG SER B 7 0.312 9.112 -1.729 1.00 0.00 H new ATOM 1588 N VAL B 8 0.608 10.360 3.519 1.00 0.00 N ATOM 1589 CA VAL B 8 0.587 9.894 4.898 1.00 0.00 C ATOM 1590 C VAL B 8 -0.271 8.640 5.028 1.00 0.00 C ATOM 1591 O VAL B 8 -0.676 8.052 4.026 1.00 0.00 O ATOM 1592 CB VAL B 8 0.063 10.986 5.849 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.963 12.210 5.793 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.374 11.357 5.506 1.00 0.00 C ATOM 0 H VAL B 8 0.273 11.315 3.389 1.00 0.00 H new ATOM 0 HA VAL B 8 1.612 9.655 5.180 1.00 0.00 H new ATOM 0 HB VAL B 8 0.076 10.593 6.866 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.581 12.974 6.470 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.974 11.932 6.092 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.981 12.602 4.776 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -1.724 12.130 6.190 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.419 11.731 4.483 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.009 10.476 5.599 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.535 8.222 6.261 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.332 7.026 6.499 1.00 0.00 C ATOM 1606 C ASN B 9 -2.832 7.299 6.342 1.00 0.00 C ATOM 1607 O ASN B 9 -3.615 7.053 7.260 1.00 0.00 O ATOM 1608 CB ASN B 9 -1.041 6.472 7.897 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.466 7.424 8.996 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -1.545 8.635 8.789 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -1.743 6.880 10.175 1.00 0.00 N ATOM 0 H ASN B 9 -0.210 8.691 7.107 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.052 6.287 5.749 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.559 5.521 8.023 1.00 0.00 H new ATOM 0 HB3 ASN B 9 0.026 6.268 7.989 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.035 7.471 10.953 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -1.664 5.871 10.302 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.226 7.823 5.179 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.628 8.146 4.912 1.00 0.00 C ATOM 1620 C ALA B 10 -5.552 6.958 5.193 1.00 0.00 C ATOM 1621 O ALA B 10 -5.094 5.891 5.606 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.783 8.618 3.474 1.00 0.00 C ATOM 0 H ALA B 10 -2.593 8.032 4.407 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.923 8.948 5.589 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -5.829 8.857 3.280 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.172 9.506 3.315 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.460 7.829 2.795 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.877 7.137 4.981 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.880 6.084 5.218 1.00 0.00 C ATOM 1630 C PRO B 11 -7.513 4.759 4.557 1.00 0.00 C ATOM 1631 O PRO B 11 -6.384 4.569 4.114 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.149 6.657 4.586 1.00 0.00 C ATOM 1633 CG PRO B 11 -8.976 8.131 4.679 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.504 8.385 4.502 1.00 0.00 C ATOM 0 HA PRO B 11 -7.976 5.852 6.279 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.258 6.334 3.551 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -10.041 6.327 5.118 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.556 8.642 3.910 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.324 8.505 5.642 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.254 8.585 3.460 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.173 9.248 5.081 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.488 3.859 4.455 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.288 2.569 3.804 1.00 0.00 C ATOM 1644 C GLU B 12 -8.443 2.699 2.287 1.00 0.00 C ATOM 1645 O GLU B 12 -8.722 3.781 1.771 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.299 1.552 4.343 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.739 0.149 4.520 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.451 0.129 5.320 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -7.159 1.136 5.997 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -6.737 -0.894 5.269 1.00 0.00 O ATOM 0 H GLU B 12 -9.430 4.002 4.818 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.277 2.225 4.021 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.675 1.905 5.303 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -10.150 1.508 3.664 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -9.481 -0.474 5.019 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -8.560 -0.292 3.540 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.295 1.579 1.589 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.454 1.567 0.138 1.00 0.00 C ATOM 1659 C PHE B 13 -9.806 0.973 -0.221 1.00 0.00 C ATOM 1660 O PHE B 13 -10.071 -0.205 0.021 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.325 0.810 -0.568 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.235 -0.650 -0.237 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.874 -1.085 1.029 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.493 -1.591 -1.213 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -6.781 -2.436 1.307 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.399 -2.938 -0.941 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.046 -3.360 0.315 1.00 0.00 C ATOM 0 H PHE B 13 -8.067 0.673 1.999 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.403 2.598 -0.211 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.456 0.915 -1.645 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.377 1.284 -0.314 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.664 -0.363 1.804 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.773 -1.267 -2.204 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.502 -2.768 2.296 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.603 -3.661 -1.717 1.00 0.00 H new ATOM 0 HZ PHE B 13 -6.975 -4.416 0.529 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.647 1.808 -0.821 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.977 1.401 -1.252 1.00 0.00 C ATOM 1679 C TYR B 14 -12.121 1.550 -2.765 1.00 0.00 C ATOM 1680 O TYR B 14 -11.203 2.030 -3.430 1.00 0.00 O ATOM 1681 CB TYR B 14 -13.031 2.217 -0.504 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.622 1.461 0.663 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.812 1.027 1.705 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -14.978 1.165 0.719 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -13.336 0.322 2.771 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -15.510 0.461 1.783 1.00 0.00 C ATOM 1687 CZ TYR B 14 -14.684 0.043 2.806 1.00 0.00 C ATOM 1688 OH TYR B 14 -15.210 -0.661 3.865 1.00 0.00 O ATOM 0 H TYR B 14 -10.426 2.783 -1.021 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.127 0.348 -1.015 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.582 3.143 -0.144 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.828 2.496 -1.194 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.754 1.245 1.681 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -15.627 1.490 -0.081 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -12.692 -0.009 3.573 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -16.567 0.239 1.813 1.00 0.00 H new ATOM 0 HH TYR B 14 -16.175 -0.772 3.737 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.273 1.160 -3.341 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.498 1.285 -4.782 1.00 0.00 C ATOM 1700 C PRO B 15 -13.586 2.738 -5.230 1.00 0.00 C ATOM 1701 O PRO B 15 -14.654 3.353 -5.204 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.829 0.586 -5.006 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.526 0.678 -3.693 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.445 0.580 -2.654 1.00 0.00 C ATOM 0 HA PRO B 15 -12.676 0.854 -5.354 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.404 1.071 -5.795 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.686 -0.452 -5.307 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -16.071 1.617 -3.604 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.254 -0.125 -3.578 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.700 1.136 -1.752 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.267 -0.452 -2.353 1.00 0.00 H new ATOM 1712 N SER B 16 -12.453 3.267 -5.652 1.00 0.00 N ATOM 1713 CA SER B 16 -12.362 4.641 -6.126 1.00 0.00 C ATOM 1714 C SER B 16 -13.392 4.899 -7.218 1.00 0.00 C ATOM 1715 O SER B 16 -14.305 5.707 -7.047 1.00 0.00 O ATOM 1716 CB SER B 16 -10.958 4.899 -6.647 1.00 0.00 C ATOM 1717 OG SER B 16 -10.709 4.160 -7.828 1.00 0.00 O ATOM 0 H SER B 16 -11.569 2.759 -5.677 1.00 0.00 H new ATOM 0 HA SER B 16 -12.570 5.321 -5.300 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.831 5.963 -6.846 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.228 4.628 -5.884 1.00 0.00 H new ATOM 0 HG SER B 16 -10.832 3.205 -7.648 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.248 4.191 -8.334 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.179 4.338 -9.434 1.00 0.00 C ATOM 1725 C GLY B 17 -15.402 3.457 -9.265 1.00 0.00 C ATOM 1726 O GLY B 17 -15.739 2.678 -10.157 1.00 0.00 O ATOM 0 H GLY B 17 -12.500 3.516 -8.495 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.490 5.380 -9.509 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.678 4.087 -10.369 1.00 0.00 H new ATOM 1730 N TYR B 18 -16.069 3.583 -8.121 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.265 2.792 -7.841 1.00 0.00 C ATOM 1732 C TYR B 18 -18.393 3.161 -8.801 1.00 0.00 C ATOM 1733 O TYR B 18 -18.701 4.337 -8.983 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.721 3.023 -6.397 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.327 1.803 -5.735 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.688 0.573 -5.789 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.529 1.887 -5.043 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.231 -0.544 -5.177 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.080 0.777 -4.430 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.427 -0.435 -4.499 1.00 0.00 C ATOM 1741 OH TYR B 18 -19.971 -1.542 -3.888 1.00 0.00 O ATOM 0 H TYR B 18 -15.803 4.224 -7.374 1.00 0.00 H new ATOM 0 HA TYR B 18 -17.019 1.739 -7.979 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.867 3.356 -5.807 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.453 3.831 -6.384 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.750 0.485 -6.318 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.042 2.836 -4.983 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.721 -1.495 -5.230 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.017 0.859 -3.900 1.00 0.00 H new ATOM 0 HH TYR B 18 -19.376 -2.310 -4.013 1.00 0.00 H new