USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 720 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 TYR OH : rot -74:sc= 1.17 USER MOD Set 1.2: A 70 GLN : amide:sc= -0.189 K(o=0.98,f=-4.5!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.2!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.376 K(o=0.38,f=-4.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.945 X(o=-0.95,f=-0.76) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-1.8) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -0.0595 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.1 K(o=-1.1,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -169:sc= 0.266 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00972 USER MOD Single : A 89 SER OG : rot 122:sc= 0.563 USER MOD Single : A 90 SER OG : rot 180:sc= 0.103 USER MOD Single : A 92 ASN : amide:sc= -0.13 K(o=-0.13,f=-2.8!) USER MOD Single : A 100 ASN : amide:sc= 0.712 K(o=0.71,f=-5.5!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -20.606 2.074 7.858 1.00 0.00 N ATOM 119 CA VAL A 11 -20.193 2.107 6.461 1.00 0.00 C ATOM 120 C VAL A 11 -19.923 0.702 5.934 1.00 0.00 C ATOM 121 O VAL A 11 -19.882 -0.262 6.698 1.00 0.00 O ATOM 122 CB VAL A 11 -18.929 2.966 6.269 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.168 4.385 6.763 1.00 0.00 C ATOM 124 CG2 VAL A 11 -17.743 2.336 6.985 1.00 0.00 C ATOM 0 HA VAL A 11 -21.015 2.551 5.899 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.699 3.011 5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.264 4.977 6.619 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.988 4.832 6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.423 4.363 7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.859 2.956 6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -17.960 2.259 8.050 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.560 1.341 6.579 1.00 0.00 H new ATOM 134 N LYS A 12 -19.739 0.593 4.623 1.00 0.00 N ATOM 135 CA LYS A 12 -19.472 -0.694 3.991 1.00 0.00 C ATOM 136 C LYS A 12 -18.128 -1.254 4.447 1.00 0.00 C ATOM 137 O LYS A 12 -17.178 -0.505 4.673 1.00 0.00 O ATOM 138 CB LYS A 12 -19.487 -0.551 2.468 1.00 0.00 C ATOM 139 CG LYS A 12 -20.856 -0.772 1.850 1.00 0.00 C ATOM 140 CD LYS A 12 -20.878 -0.371 0.384 1.00 0.00 C ATOM 141 CE LYS A 12 -21.878 -1.201 -0.406 1.00 0.00 C ATOM 142 NZ LYS A 12 -23.246 -0.614 -0.359 1.00 0.00 N ATOM 0 H LYS A 12 -19.770 1.381 3.976 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.257 -1.388 4.291 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.134 0.445 2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.784 -1.264 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.134 -1.822 1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.601 -0.194 2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -21.132 0.685 0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -19.883 -0.495 -0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.550 -1.275 -1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -21.904 -2.215 -0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -23.898 -1.209 -0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -23.570 -0.567 0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -23.227 0.344 -0.763 1.00 0.00 H new ATOM 156 N GLU A 13 -18.056 -2.575 4.578 1.00 0.00 N ATOM 157 CA GLU A 13 -16.828 -3.234 5.006 1.00 0.00 C ATOM 158 C GLU A 13 -16.024 -3.720 3.804 1.00 0.00 C ATOM 159 O GLU A 13 -16.241 -4.824 3.302 1.00 0.00 O ATOM 160 CB GLU A 13 -17.149 -4.412 5.928 1.00 0.00 C ATOM 161 CG GLU A 13 -17.678 -3.993 7.290 1.00 0.00 C ATOM 162 CD GLU A 13 -18.131 -5.172 8.128 1.00 0.00 C ATOM 163 OE1 GLU A 13 -19.001 -5.935 7.659 1.00 0.00 O ATOM 164 OE2 GLU A 13 -17.614 -5.332 9.254 1.00 0.00 O ATOM 0 H GLU A 13 -18.833 -3.209 4.394 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.228 -2.507 5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.886 -5.052 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.248 -5.010 6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.900 -3.449 7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -18.513 -3.306 7.155 1.00 0.00 H new ATOM 171 N LEU A 14 -15.095 -2.888 3.345 1.00 0.00 N ATOM 172 CA LEU A 14 -14.258 -3.231 2.201 1.00 0.00 C ATOM 173 C LEU A 14 -13.060 -4.069 2.635 1.00 0.00 C ATOM 174 O LEU A 14 -12.530 -3.894 3.733 1.00 0.00 O ATOM 175 CB LEU A 14 -13.778 -1.962 1.496 1.00 0.00 C ATOM 176 CG LEU A 14 -14.857 -0.930 1.163 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.226 0.364 0.675 1.00 0.00 C ATOM 178 CD2 LEU A 14 -15.820 -1.483 0.122 1.00 0.00 C ATOM 0 H LEU A 14 -14.903 -1.971 3.748 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.858 -3.820 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.027 -1.483 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.281 -2.251 0.570 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.420 -0.715 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.009 1.086 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.578 0.769 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.638 0.167 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.581 -0.736 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.271 -1.728 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.298 -2.382 0.510 1.00 0.00 H new ATOM 190 N THR A 15 -12.634 -4.980 1.765 1.00 0.00 N ATOM 191 CA THR A 15 -11.498 -5.845 2.057 1.00 0.00 C ATOM 192 C THR A 15 -10.241 -5.360 1.344 1.00 0.00 C ATOM 193 O THR A 15 -9.981 -5.733 0.200 1.00 0.00 O ATOM 194 CB THR A 15 -11.779 -7.301 1.643 1.00 0.00 C ATOM 195 OG1 THR A 15 -12.900 -7.811 2.375 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.563 -8.180 1.894 1.00 0.00 C ATOM 0 H THR A 15 -13.060 -5.138 0.851 1.00 0.00 H new ATOM 0 HA THR A 15 -11.340 -5.806 3.135 1.00 0.00 H new ATOM 0 HB THR A 15 -12.004 -7.314 0.577 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.073 -8.737 2.105 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.786 -9.204 1.594 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.719 -7.807 1.314 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.312 -8.159 2.954 1.00 0.00 H new ATOM 204 N VAL A 16 -9.463 -4.526 2.027 1.00 0.00 N ATOM 205 CA VAL A 16 -8.231 -3.992 1.460 1.00 0.00 C ATOM 206 C VAL A 16 -7.076 -4.973 1.629 1.00 0.00 C ATOM 207 O VAL A 16 -6.740 -5.365 2.746 1.00 0.00 O ATOM 208 CB VAL A 16 -7.849 -2.649 2.111 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.559 -2.112 1.511 1.00 0.00 C ATOM 210 CG2 VAL A 16 -8.978 -1.642 1.956 1.00 0.00 C ATOM 0 H VAL A 16 -9.665 -4.206 2.974 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.416 -3.833 0.398 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.684 -2.815 3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.305 -1.163 1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.754 -2.828 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.692 -1.960 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.691 -0.699 2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.176 -1.478 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.877 -2.026 2.438 1.00 0.00 H new ATOM 220 N SER A 17 -6.472 -5.366 0.512 1.00 0.00 N ATOM 221 CA SER A 17 -5.356 -6.304 0.537 1.00 0.00 C ATOM 222 C SER A 17 -4.304 -5.924 -0.500 1.00 0.00 C ATOM 223 O SER A 17 -4.606 -5.784 -1.685 1.00 0.00 O ATOM 224 CB SER A 17 -5.854 -7.727 0.276 1.00 0.00 C ATOM 225 OG SER A 17 -4.835 -8.679 0.534 1.00 0.00 O ATOM 0 H SER A 17 -6.737 -5.050 -0.421 1.00 0.00 H new ATOM 0 HA SER A 17 -4.899 -6.261 1.526 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.718 -7.935 0.907 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.186 -7.816 -0.759 1.00 0.00 H new ATOM 0 HG SER A 17 -5.178 -9.581 0.362 1.00 0.00 H new ATOM 231 N ALA A 18 -3.066 -5.758 -0.045 1.00 0.00 N ATOM 232 CA ALA A 18 -1.968 -5.396 -0.932 1.00 0.00 C ATOM 233 C ALA A 18 -1.436 -6.617 -1.674 1.00 0.00 C ATOM 234 O ALA A 18 -1.070 -6.533 -2.846 1.00 0.00 O ATOM 235 CB ALA A 18 -0.851 -4.728 -0.144 1.00 0.00 C ATOM 0 H ALA A 18 -2.799 -5.869 0.933 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.349 -4.691 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.037 -4.463 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.233 -3.827 0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.481 -5.415 0.617 1.00 0.00 H new ATOM 241 N GLY A 19 -1.396 -7.753 -0.984 1.00 0.00 N ATOM 242 CA GLY A 19 -0.907 -8.975 -1.594 1.00 0.00 C ATOM 243 C GLY A 19 -0.126 -9.837 -0.621 1.00 0.00 C ATOM 244 O GLY A 19 -0.647 -10.823 -0.099 1.00 0.00 O ATOM 0 H GLY A 19 -1.694 -7.848 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.750 -9.545 -1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.272 -8.724 -2.443 1.00 0.00 H new ATOM 248 N ASP A 20 1.126 -9.466 -0.378 1.00 0.00 N ATOM 249 CA ASP A 20 1.980 -10.213 0.538 1.00 0.00 C ATOM 250 C ASP A 20 3.317 -9.505 0.733 1.00 0.00 C ATOM 251 O ASP A 20 3.711 -8.667 -0.077 1.00 0.00 O ATOM 252 CB ASP A 20 2.211 -11.631 0.013 1.00 0.00 C ATOM 253 CG ASP A 20 2.891 -12.522 1.033 1.00 0.00 C ATOM 254 OD1 ASP A 20 2.435 -12.549 2.195 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.881 -13.192 0.670 1.00 0.00 O ATOM 0 H ASP A 20 1.572 -8.653 -0.802 1.00 0.00 H new ATOM 0 HA ASP A 20 1.475 -10.269 1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.255 -12.071 -0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.820 -11.586 -0.890 1.00 0.00 H new ATOM 260 N ASN A 21 4.010 -9.847 1.814 1.00 0.00 N ATOM 261 CA ASN A 21 5.303 -9.243 2.117 1.00 0.00 C ATOM 262 C ASN A 21 6.235 -9.323 0.912 1.00 0.00 C ATOM 263 O ASN A 21 6.300 -10.346 0.229 1.00 0.00 O ATOM 264 CB ASN A 21 5.944 -9.938 3.320 1.00 0.00 C ATOM 265 CG ASN A 21 5.924 -11.449 3.194 1.00 0.00 C ATOM 266 OD1 ASN A 21 5.779 -11.989 2.097 1.00 0.00 O ATOM 267 ND2 ASN A 21 6.070 -12.138 4.319 1.00 0.00 N ATOM 0 H ASN A 21 3.698 -10.539 2.495 1.00 0.00 H new ATOM 0 HA ASN A 21 5.139 -8.193 2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.974 -9.599 3.425 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.417 -9.645 4.228 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.065 -13.158 4.297 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.187 -11.648 5.206 1.00 0.00 H new ATOM 274 N LEU A 22 6.957 -8.237 0.658 1.00 0.00 N ATOM 275 CA LEU A 22 7.888 -8.183 -0.464 1.00 0.00 C ATOM 276 C LEU A 22 9.316 -7.960 0.023 1.00 0.00 C ATOM 277 O LEU A 22 9.562 -7.121 0.890 1.00 0.00 O ATOM 278 CB LEU A 22 7.487 -7.068 -1.432 1.00 0.00 C ATOM 279 CG LEU A 22 6.049 -7.113 -1.949 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.642 -8.543 -2.270 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.097 -6.501 -0.933 1.00 0.00 C ATOM 0 H LEU A 22 6.916 -7.382 1.213 1.00 0.00 H new ATOM 0 HA LEU A 22 7.847 -9.140 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.644 -6.110 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.161 -7.098 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 22 5.995 -6.527 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.616 -8.556 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.305 -8.947 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.713 -9.152 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.078 -6.542 -1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.154 -7.059 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.375 -5.463 -0.753 1.00 0.00 H new ATOM 293 N ILE A 23 10.253 -8.714 -0.541 1.00 0.00 N ATOM 294 CA ILE A 23 11.657 -8.596 -0.166 1.00 0.00 C ATOM 295 C ILE A 23 12.521 -8.247 -1.373 1.00 0.00 C ATOM 296 O ILE A 23 12.412 -8.873 -2.428 1.00 0.00 O ATOM 297 CB ILE A 23 12.181 -9.898 0.468 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.289 -10.317 1.638 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.620 -9.719 0.930 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.561 -11.720 2.133 1.00 0.00 C ATOM 0 H ILE A 23 10.066 -9.413 -1.259 1.00 0.00 H new ATOM 0 HA ILE A 23 11.722 -7.793 0.568 1.00 0.00 H new ATOM 0 HB ILE A 23 12.156 -10.687 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.430 -9.616 2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.245 -10.244 1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.977 -10.647 1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.247 -9.462 0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.668 -8.919 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.892 -11.949 2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.392 -12.430 1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.595 -11.793 2.470 1.00 0.00 H new ATOM 312 N ILE A 24 13.379 -7.247 -1.210 1.00 0.00 N ATOM 313 CA ILE A 24 14.264 -6.817 -2.286 1.00 0.00 C ATOM 314 C ILE A 24 15.727 -6.904 -1.862 1.00 0.00 C ATOM 315 O ILE A 24 16.037 -6.990 -0.673 1.00 0.00 O ATOM 316 CB ILE A 24 13.954 -5.375 -2.727 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.434 -4.556 -1.544 1.00 0.00 C ATOM 318 CG2 ILE A 24 12.943 -5.375 -3.864 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.094 -3.126 -1.901 1.00 0.00 C ATOM 0 H ILE A 24 13.481 -6.719 -0.343 1.00 0.00 H new ATOM 0 HA ILE A 24 14.091 -7.490 -3.126 1.00 0.00 H new ATOM 0 HB ILE A 24 14.875 -4.915 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.546 -5.042 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.186 -4.556 -0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.734 -4.348 -4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.349 -5.926 -4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.021 -5.850 -3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.732 -2.606 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.985 -2.624 -2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.320 -3.117 -2.668 1.00 0.00 H new ATOM 331 N THR A 25 16.624 -6.879 -2.843 1.00 0.00 N ATOM 332 CA THR A 25 18.054 -6.955 -2.573 1.00 0.00 C ATOM 333 C THR A 25 18.814 -5.870 -3.327 1.00 0.00 C ATOM 334 O THR A 25 18.684 -5.738 -4.545 1.00 0.00 O ATOM 335 CB THR A 25 18.627 -8.331 -2.960 1.00 0.00 C ATOM 336 OG1 THR A 25 17.872 -9.371 -2.330 1.00 0.00 O ATOM 337 CG2 THR A 25 20.089 -8.441 -2.555 1.00 0.00 C ATOM 0 H THR A 25 16.385 -6.807 -3.832 1.00 0.00 H new ATOM 0 HA THR A 25 18.181 -6.806 -1.501 1.00 0.00 H new ATOM 0 HB THR A 25 18.557 -8.438 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.242 -10.243 -2.583 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.472 -9.421 -2.838 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.666 -7.666 -3.060 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.178 -8.315 -1.476 1.00 0.00 H new ATOM 345 N LEU A 26 19.607 -5.094 -2.597 1.00 0.00 N ATOM 346 CA LEU A 26 20.390 -4.019 -3.198 1.00 0.00 C ATOM 347 C LEU A 26 21.169 -4.523 -4.408 1.00 0.00 C ATOM 348 O LEU A 26 21.448 -5.715 -4.545 1.00 0.00 O ATOM 349 CB LEU A 26 21.354 -3.426 -2.168 1.00 0.00 C ATOM 350 CG LEU A 26 20.757 -2.402 -1.202 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.786 -1.988 -0.161 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.246 -1.187 -1.962 1.00 0.00 C ATOM 0 H LEU A 26 19.725 -5.189 -1.588 1.00 0.00 H new ATOM 0 HA LEU A 26 19.700 -3.243 -3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.778 -4.243 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.179 -2.954 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 26 19.915 -2.864 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.344 -1.259 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.104 -2.864 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.648 -1.544 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.825 -0.469 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 26 21.070 -0.723 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.476 -1.497 -2.669 1.00 0.00 H new ATOM 364 N PRO A 27 21.530 -3.597 -5.308 1.00 0.00 N ATOM 365 CA PRO A 27 21.202 -2.176 -5.156 1.00 0.00 C ATOM 366 C PRO A 27 19.712 -1.903 -5.328 1.00 0.00 C ATOM 367 O PRO A 27 19.211 -0.857 -4.913 1.00 0.00 O ATOM 368 CB PRO A 27 22.001 -1.506 -6.277 1.00 0.00 C ATOM 369 CG PRO A 27 22.181 -2.571 -7.303 1.00 0.00 C ATOM 370 CD PRO A 27 22.285 -3.864 -6.543 1.00 0.00 C ATOM 0 HA PRO A 27 21.445 -1.806 -4.160 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.467 -0.649 -6.686 1.00 0.00 H new ATOM 0 HB3 PRO A 27 22.961 -1.140 -5.914 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.340 -2.592 -7.996 1.00 0.00 H new ATOM 0 HG3 PRO A 27 23.078 -2.394 -7.896 1.00 0.00 H new ATOM 0 HD2 PRO A 27 21.857 -4.695 -7.104 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.322 -4.123 -6.331 1.00 0.00 H new ATOM 378 N ASP A 28 19.009 -2.849 -5.940 1.00 0.00 N ATOM 379 CA ASP A 28 17.575 -2.711 -6.166 1.00 0.00 C ATOM 380 C ASP A 28 16.865 -2.266 -4.891 1.00 0.00 C ATOM 381 O ASP A 28 16.593 -3.076 -4.005 1.00 0.00 O ATOM 382 CB ASP A 28 16.984 -4.033 -6.658 1.00 0.00 C ATOM 383 CG ASP A 28 17.136 -4.213 -8.155 1.00 0.00 C ATOM 384 OD1 ASP A 28 18.279 -4.127 -8.650 1.00 0.00 O ATOM 385 OD2 ASP A 28 16.112 -4.439 -8.833 1.00 0.00 O ATOM 0 H ASP A 28 19.409 -3.720 -6.289 1.00 0.00 H new ATOM 0 HA ASP A 28 17.425 -1.949 -6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.474 -4.860 -6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.927 -4.075 -6.395 1.00 0.00 H new ATOM 390 N ASN A 29 16.569 -0.973 -4.804 1.00 0.00 N ATOM 391 CA ASN A 29 15.892 -0.420 -3.637 1.00 0.00 C ATOM 392 C ASN A 29 14.557 0.207 -4.028 1.00 0.00 C ATOM 393 O ASN A 29 14.056 1.099 -3.345 1.00 0.00 O ATOM 394 CB ASN A 29 16.778 0.624 -2.955 1.00 0.00 C ATOM 395 CG ASN A 29 17.433 1.564 -3.949 1.00 0.00 C ATOM 396 OD1 ASN A 29 17.032 1.636 -5.110 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.448 2.291 -3.495 1.00 0.00 N ATOM 0 H ASN A 29 16.788 -0.289 -5.528 1.00 0.00 H new ATOM 0 HA ASN A 29 15.700 -1.235 -2.940 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.178 1.203 -2.253 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.550 0.118 -2.374 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.928 2.941 -4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.747 2.199 -2.524 1.00 0.00 H new ATOM 404 N GLU A 30 13.987 -0.269 -5.131 1.00 0.00 N ATOM 405 CA GLU A 30 12.710 0.246 -5.612 1.00 0.00 C ATOM 406 C GLU A 30 11.673 -0.870 -5.703 1.00 0.00 C ATOM 407 O GLU A 30 11.968 -1.970 -6.170 1.00 0.00 O ATOM 408 CB GLU A 30 12.885 0.906 -6.981 1.00 0.00 C ATOM 409 CG GLU A 30 14.146 1.747 -7.095 1.00 0.00 C ATOM 410 CD GLU A 30 14.263 2.443 -8.437 1.00 0.00 C ATOM 411 OE1 GLU A 30 14.570 1.760 -9.436 1.00 0.00 O ATOM 412 OE2 GLU A 30 14.049 3.673 -8.487 1.00 0.00 O ATOM 0 H GLU A 30 14.388 -1.009 -5.707 1.00 0.00 H new ATOM 0 HA GLU A 30 12.356 0.991 -4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.904 0.132 -7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.019 1.536 -7.185 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.153 2.494 -6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.018 1.111 -6.943 1.00 0.00 H new ATOM 419 N VAL A 31 10.458 -0.578 -5.251 1.00 0.00 N ATOM 420 CA VAL A 31 9.376 -1.556 -5.280 1.00 0.00 C ATOM 421 C VAL A 31 8.041 -0.889 -5.591 1.00 0.00 C ATOM 422 O VAL A 31 7.808 0.260 -5.215 1.00 0.00 O ATOM 423 CB VAL A 31 9.263 -2.308 -3.941 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.479 -1.356 -2.774 1.00 0.00 C ATOM 425 CG2 VAL A 31 7.912 -3.000 -3.832 1.00 0.00 C ATOM 0 H VAL A 31 10.198 0.328 -4.860 1.00 0.00 H new ATOM 0 HA VAL A 31 9.615 -2.269 -6.069 1.00 0.00 H new ATOM 0 HB VAL A 31 10.041 -3.071 -3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.395 -1.905 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.471 -0.911 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.725 -0.569 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.849 -3.527 -2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.117 -2.257 -3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.801 -3.713 -4.649 1.00 0.00 H new ATOM 435 N GLU A 32 7.168 -1.617 -6.279 1.00 0.00 N ATOM 436 CA GLU A 32 5.855 -1.095 -6.641 1.00 0.00 C ATOM 437 C GLU A 32 4.745 -1.934 -6.016 1.00 0.00 C ATOM 438 O GLU A 32 4.467 -3.048 -6.462 1.00 0.00 O ATOM 439 CB GLU A 32 5.694 -1.066 -8.162 1.00 0.00 C ATOM 440 CG GLU A 32 4.253 -0.908 -8.619 1.00 0.00 C ATOM 441 CD GLU A 32 4.144 -0.519 -10.080 1.00 0.00 C ATOM 442 OE1 GLU A 32 5.025 -0.920 -10.869 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.177 0.187 -10.435 1.00 0.00 O ATOM 0 H GLU A 32 7.346 -2.570 -6.597 1.00 0.00 H new ATOM 0 HA GLU A 32 5.778 -0.078 -6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.286 -0.245 -8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.100 -1.988 -8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.719 -1.844 -8.455 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.763 -0.150 -8.008 1.00 0.00 H new ATOM 450 N LEU A 33 4.112 -1.392 -4.981 1.00 0.00 N ATOM 451 CA LEU A 33 3.032 -2.091 -4.294 1.00 0.00 C ATOM 452 C LEU A 33 1.675 -1.687 -4.861 1.00 0.00 C ATOM 453 O LEU A 33 1.529 -0.614 -5.446 1.00 0.00 O ATOM 454 CB LEU A 33 3.079 -1.794 -2.794 1.00 0.00 C ATOM 455 CG LEU A 33 4.463 -1.834 -2.145 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.530 -0.872 -0.969 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.803 -3.249 -1.699 1.00 0.00 C ATOM 0 H LEU A 33 4.328 -0.471 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 33 3.167 -3.161 -4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.649 -0.806 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.439 -2.512 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 33 5.199 -1.521 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.522 -0.915 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.332 0.142 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.783 -1.153 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.791 -3.258 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.063 -3.590 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.798 -3.914 -2.563 1.00 0.00 H new ATOM 469 N LYS A 34 0.683 -2.553 -4.682 1.00 0.00 N ATOM 470 CA LYS A 34 -0.664 -2.286 -5.172 1.00 0.00 C ATOM 471 C LYS A 34 -1.711 -2.737 -4.158 1.00 0.00 C ATOM 472 O LYS A 34 -1.521 -3.729 -3.455 1.00 0.00 O ATOM 473 CB LYS A 34 -0.893 -2.997 -6.508 1.00 0.00 C ATOM 474 CG LYS A 34 -2.000 -2.379 -7.344 1.00 0.00 C ATOM 475 CD LYS A 34 -2.049 -2.982 -8.738 1.00 0.00 C ATOM 476 CE LYS A 34 -2.959 -4.200 -8.787 1.00 0.00 C ATOM 477 NZ LYS A 34 -3.093 -4.736 -10.170 1.00 0.00 N ATOM 0 H LYS A 34 0.787 -3.446 -4.201 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.764 -1.210 -5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.034 -2.983 -7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.134 -4.043 -6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.959 -2.529 -6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.844 -1.303 -7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.403 -2.234 -9.447 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.043 -3.265 -9.049 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.562 -4.977 -8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.944 -3.933 -8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.721 -5.565 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.495 -4.003 -10.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.157 -5.014 -10.527 1.00 0.00 H new ATOM 491 N ALA A 35 -2.817 -2.003 -4.090 1.00 0.00 N ATOM 492 CA ALA A 35 -3.895 -2.329 -3.165 1.00 0.00 C ATOM 493 C ALA A 35 -5.079 -2.948 -3.900 1.00 0.00 C ATOM 494 O ALA A 35 -5.414 -2.542 -5.013 1.00 0.00 O ATOM 495 CB ALA A 35 -4.333 -1.086 -2.406 1.00 0.00 C ATOM 0 H ALA A 35 -2.990 -1.178 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.520 -3.063 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.139 -1.344 -1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.489 -0.688 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.685 -0.334 -3.112 1.00 0.00 H new ATOM 501 N PHE A 36 -5.710 -3.934 -3.270 1.00 0.00 N ATOM 502 CA PHE A 36 -6.857 -4.610 -3.865 1.00 0.00 C ATOM 503 C PHE A 36 -8.109 -4.406 -3.017 1.00 0.00 C ATOM 504 O PHE A 36 -8.182 -4.865 -1.877 1.00 0.00 O ATOM 505 CB PHE A 36 -6.570 -6.105 -4.020 1.00 0.00 C ATOM 506 CG PHE A 36 -5.548 -6.413 -5.076 1.00 0.00 C ATOM 507 CD1 PHE A 36 -5.664 -5.878 -6.349 1.00 0.00 C ATOM 508 CD2 PHE A 36 -4.471 -7.239 -4.796 1.00 0.00 C ATOM 509 CE1 PHE A 36 -4.724 -6.159 -7.323 1.00 0.00 C ATOM 510 CE2 PHE A 36 -3.528 -7.523 -5.766 1.00 0.00 C ATOM 511 CZ PHE A 36 -3.655 -6.984 -7.031 1.00 0.00 C ATOM 0 H PHE A 36 -5.446 -4.282 -2.348 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.032 -4.176 -4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.225 -6.501 -3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.499 -6.622 -4.263 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.499 -5.234 -6.583 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.367 -7.665 -3.809 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.825 -5.734 -8.311 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.692 -8.166 -5.535 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.920 -7.207 -7.790 1.00 0.00 H new ATOM 521 N VAL A 37 -9.093 -3.713 -3.582 1.00 0.00 N ATOM 522 CA VAL A 37 -10.342 -3.448 -2.879 1.00 0.00 C ATOM 523 C VAL A 37 -11.479 -4.294 -3.441 1.00 0.00 C ATOM 524 O VAL A 37 -11.853 -4.156 -4.605 1.00 0.00 O ATOM 525 CB VAL A 37 -10.732 -1.960 -2.969 1.00 0.00 C ATOM 526 CG1 VAL A 37 -12.037 -1.704 -2.230 1.00 0.00 C ATOM 527 CG2 VAL A 37 -9.617 -1.084 -2.418 1.00 0.00 C ATOM 0 H VAL A 37 -9.049 -3.325 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.179 -3.711 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.880 -1.704 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.296 -0.648 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.831 -2.305 -2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.920 -1.976 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.909 -0.036 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.435 -1.340 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.707 -1.247 -2.995 1.00 0.00 H new ATOM 537 N ALA A 38 -12.026 -5.171 -2.605 1.00 0.00 N ATOM 538 CA ALA A 38 -13.123 -6.038 -3.017 1.00 0.00 C ATOM 539 C ALA A 38 -14.354 -5.819 -2.145 1.00 0.00 C ATOM 540 O ALA A 38 -14.285 -5.838 -0.915 1.00 0.00 O ATOM 541 CB ALA A 38 -12.690 -7.496 -2.966 1.00 0.00 C ATOM 0 H ALA A 38 -11.727 -5.300 -1.638 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.388 -5.784 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.519 -8.133 -3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.845 -7.648 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.396 -7.753 -1.948 1.00 0.00 H new ATOM 547 N PRO A 39 -15.509 -5.604 -2.792 1.00 0.00 N ATOM 548 CA PRO A 39 -15.603 -5.578 -4.255 1.00 0.00 C ATOM 549 C PRO A 39 -14.923 -4.353 -4.858 1.00 0.00 C ATOM 550 O PRO A 39 -14.777 -3.324 -4.198 1.00 0.00 O ATOM 551 CB PRO A 39 -17.111 -5.533 -4.513 1.00 0.00 C ATOM 552 CG PRO A 39 -17.687 -4.920 -3.284 1.00 0.00 C ATOM 553 CD PRO A 39 -16.811 -5.369 -2.147 1.00 0.00 C ATOM 0 HA PRO A 39 -15.104 -6.433 -4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.344 -4.940 -5.398 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.514 -6.532 -4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.701 -3.833 -3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.717 -5.242 -3.133 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.742 -4.609 -1.368 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.196 -6.274 -1.677 1.00 0.00 H new ATOM 561 N ALA A 40 -14.510 -4.470 -6.115 1.00 0.00 N ATOM 562 CA ALA A 40 -13.848 -3.371 -6.808 1.00 0.00 C ATOM 563 C ALA A 40 -14.848 -2.291 -7.205 1.00 0.00 C ATOM 564 O ALA A 40 -16.002 -2.569 -7.530 1.00 0.00 O ATOM 565 CB ALA A 40 -13.111 -3.888 -8.035 1.00 0.00 C ATOM 0 H ALA A 40 -14.622 -5.315 -6.675 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.125 -2.926 -6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.622 -3.057 -8.543 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.362 -4.618 -7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.821 -4.360 -8.714 1.00 0.00 H new ATOM 571 N PRO A 41 -14.397 -1.028 -7.177 1.00 0.00 N ATOM 572 CA PRO A 41 -15.238 0.120 -7.531 1.00 0.00 C ATOM 573 C PRO A 41 -15.561 0.164 -9.021 1.00 0.00 C ATOM 574 O PRO A 41 -14.761 -0.236 -9.866 1.00 0.00 O ATOM 575 CB PRO A 41 -14.379 1.324 -7.134 1.00 0.00 C ATOM 576 CG PRO A 41 -12.976 0.826 -7.197 1.00 0.00 C ATOM 577 CD PRO A 41 -13.033 -0.623 -6.798 1.00 0.00 C ATOM 0 HA PRO A 41 -16.206 0.086 -7.031 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.533 2.161 -7.815 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.629 1.676 -6.133 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.567 0.939 -8.201 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.331 1.391 -6.524 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.279 -1.213 -7.319 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.857 -0.753 -5.730 1.00 0.00 H new ATOM 585 N PRO A 42 -16.761 0.663 -9.352 1.00 0.00 N ATOM 586 CA PRO A 42 -17.217 0.772 -10.741 1.00 0.00 C ATOM 587 C PRO A 42 -16.451 1.836 -11.520 1.00 0.00 C ATOM 588 O PRO A 42 -15.456 2.377 -11.038 1.00 0.00 O ATOM 589 CB PRO A 42 -18.689 1.168 -10.601 1.00 0.00 C ATOM 590 CG PRO A 42 -18.776 1.842 -9.275 1.00 0.00 C ATOM 591 CD PRO A 42 -17.766 1.158 -8.396 1.00 0.00 C ATOM 0 HA PRO A 42 -17.061 -0.154 -11.295 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -18.997 1.836 -11.405 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.340 0.295 -10.645 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -18.559 2.907 -9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -19.779 1.755 -8.858 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -17.329 1.848 -7.674 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.215 0.344 -7.827 1.00 0.00 H new ATOM 599 N VAL A 43 -16.922 2.131 -12.728 1.00 0.00 N ATOM 600 CA VAL A 43 -16.282 3.132 -13.574 1.00 0.00 C ATOM 601 C VAL A 43 -16.510 4.538 -13.030 1.00 0.00 C ATOM 602 O VAL A 43 -15.583 5.344 -12.959 1.00 0.00 O ATOM 603 CB VAL A 43 -16.806 3.062 -15.020 1.00 0.00 C ATOM 604 CG1 VAL A 43 -18.306 3.315 -15.058 1.00 0.00 C ATOM 605 CG2 VAL A 43 -16.066 4.055 -15.903 1.00 0.00 C ATOM 0 H VAL A 43 -17.744 1.691 -13.142 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.214 2.913 -13.571 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.622 2.060 -15.407 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -18.658 3.262 -16.088 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.817 2.561 -14.460 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.518 4.304 -14.653 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -16.449 3.992 -16.922 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -16.216 5.065 -15.520 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -15.001 3.821 -15.901 1.00 0.00 H new ATOM 615 N GLU A 44 -17.750 4.825 -12.647 1.00 0.00 N ATOM 616 CA GLU A 44 -18.099 6.135 -12.110 1.00 0.00 C ATOM 617 C GLU A 44 -17.467 6.346 -10.737 1.00 0.00 C ATOM 618 O GLU A 44 -16.602 7.204 -10.564 1.00 0.00 O ATOM 619 CB GLU A 44 -19.619 6.282 -12.012 1.00 0.00 C ATOM 620 CG GLU A 44 -20.302 6.453 -13.358 1.00 0.00 C ATOM 621 CD GLU A 44 -21.814 6.484 -13.245 1.00 0.00 C ATOM 622 OE1 GLU A 44 -22.382 5.557 -12.629 1.00 0.00 O ATOM 623 OE2 GLU A 44 -22.430 7.433 -13.773 1.00 0.00 O ATOM 0 H GLU A 44 -18.529 4.169 -12.699 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.711 6.893 -12.790 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.029 5.403 -11.515 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.853 7.142 -11.384 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.957 7.377 -13.822 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -20.007 5.636 -14.017 1.00 0.00 H new ATOM 630 N THR A 45 -17.907 5.556 -9.762 1.00 0.00 N ATOM 631 CA THR A 45 -17.387 5.656 -8.404 1.00 0.00 C ATOM 632 C THR A 45 -15.972 5.096 -8.314 1.00 0.00 C ATOM 633 O THR A 45 -15.642 4.105 -8.968 1.00 0.00 O ATOM 634 CB THR A 45 -18.287 4.911 -7.401 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.643 5.350 -7.539 1.00 0.00 O ATOM 636 CG2 THR A 45 -17.816 5.144 -5.974 1.00 0.00 C ATOM 0 H THR A 45 -18.622 4.840 -9.888 1.00 0.00 H new ATOM 0 HA THR A 45 -17.372 6.716 -8.149 1.00 0.00 H new ATOM 0 HB THR A 45 -18.227 3.844 -7.617 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.209 4.870 -6.899 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.467 4.608 -5.284 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.794 4.781 -5.864 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.849 6.210 -5.750 1.00 0.00 H new ATOM 644 N THR A 46 -15.138 5.735 -7.500 1.00 0.00 N ATOM 645 CA THR A 46 -13.758 5.300 -7.325 1.00 0.00 C ATOM 646 C THR A 46 -13.304 5.478 -5.881 1.00 0.00 C ATOM 647 O THR A 46 -13.737 6.403 -5.193 1.00 0.00 O ATOM 648 CB THR A 46 -12.802 6.077 -8.250 1.00 0.00 C ATOM 649 OG1 THR A 46 -13.000 7.486 -8.087 1.00 0.00 O ATOM 650 CG2 THR A 46 -13.027 5.694 -9.705 1.00 0.00 C ATOM 0 H THR A 46 -15.394 6.556 -6.951 1.00 0.00 H new ATOM 0 HA THR A 46 -13.725 4.242 -7.586 1.00 0.00 H new ATOM 0 HB THR A 46 -11.779 5.820 -7.977 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.387 7.973 -8.677 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.341 6.255 -10.339 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.848 4.626 -9.832 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.054 5.926 -9.988 1.00 0.00 H new ATOM 658 N TYR A 47 -12.430 4.587 -5.426 1.00 0.00 N ATOM 659 CA TYR A 47 -11.919 4.644 -4.062 1.00 0.00 C ATOM 660 C TYR A 47 -10.617 5.436 -4.001 1.00 0.00 C ATOM 661 O TYR A 47 -9.898 5.547 -4.993 1.00 0.00 O ATOM 662 CB TYR A 47 -11.696 3.232 -3.519 1.00 0.00 C ATOM 663 CG TYR A 47 -12.974 2.447 -3.329 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.057 2.997 -2.655 1.00 0.00 C ATOM 665 CD2 TYR A 47 -13.099 1.155 -3.826 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.227 2.283 -2.480 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.265 0.434 -3.657 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.326 1.002 -2.982 1.00 0.00 C ATOM 669 OH TYR A 47 -16.490 0.288 -2.810 1.00 0.00 O ATOM 0 H TYR A 47 -12.061 3.816 -5.983 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.661 5.150 -3.444 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.044 2.688 -4.202 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.174 3.297 -2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -13.983 4.000 -2.261 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.270 0.707 -4.354 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.059 2.725 -1.953 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.346 -0.568 -4.051 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.396 -0.595 -3.224 1.00 0.00 H new ATOM 679 N ASN A 48 -10.320 5.984 -2.827 1.00 0.00 N ATOM 680 CA ASN A 48 -9.104 6.767 -2.635 1.00 0.00 C ATOM 681 C ASN A 48 -8.035 5.944 -1.921 1.00 0.00 C ATOM 682 O ASN A 48 -8.278 5.388 -0.849 1.00 0.00 O ATOM 683 CB ASN A 48 -9.409 8.033 -1.833 1.00 0.00 C ATOM 684 CG ASN A 48 -9.979 9.142 -2.698 1.00 0.00 C ATOM 685 OD1 ASN A 48 -9.290 10.111 -3.018 1.00 0.00 O ATOM 686 ND2 ASN A 48 -11.243 9.003 -3.080 1.00 0.00 N ATOM 0 H ASN A 48 -10.904 5.901 -1.995 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.725 7.050 -3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.117 7.795 -1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.496 8.384 -1.352 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.681 9.716 -3.663 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.776 8.183 -2.791 1.00 0.00 H new ATOM 693 N TYR A 49 -6.853 5.873 -2.521 1.00 0.00 N ATOM 694 CA TYR A 49 -5.747 5.117 -1.944 1.00 0.00 C ATOM 695 C TYR A 49 -4.754 6.047 -1.254 1.00 0.00 C ATOM 696 O TYR A 49 -4.068 6.834 -1.906 1.00 0.00 O ATOM 697 CB TYR A 49 -5.035 4.306 -3.028 1.00 0.00 C ATOM 698 CG TYR A 49 -5.970 3.461 -3.864 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.308 2.171 -3.473 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.514 3.952 -5.044 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.161 1.395 -4.234 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.368 3.183 -5.810 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.689 1.906 -5.401 1.00 0.00 C ATOM 704 OH TYR A 49 -8.539 1.137 -6.163 1.00 0.00 O ATOM 0 H TYR A 49 -6.635 6.329 -3.407 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.156 4.434 -1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.492 4.988 -3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.295 3.658 -2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.897 1.768 -2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.265 4.952 -5.368 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.413 0.394 -3.917 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.782 3.580 -6.725 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.025 0.444 -6.628 1.00 0.00 H new ATOM 714 N GLU A 50 -4.682 5.949 0.070 1.00 0.00 N ATOM 715 CA GLU A 50 -3.773 6.781 0.849 1.00 0.00 C ATOM 716 C GLU A 50 -2.767 5.922 1.611 1.00 0.00 C ATOM 717 O GLU A 50 -3.105 5.296 2.616 1.00 0.00 O ATOM 718 CB GLU A 50 -4.559 7.655 1.829 1.00 0.00 C ATOM 719 CG GLU A 50 -3.680 8.402 2.818 1.00 0.00 C ATOM 720 CD GLU A 50 -4.338 9.661 3.347 1.00 0.00 C ATOM 721 OE1 GLU A 50 -5.510 9.586 3.771 1.00 0.00 O ATOM 722 OE2 GLU A 50 -3.680 10.723 3.338 1.00 0.00 O ATOM 0 H GLU A 50 -5.242 5.302 0.625 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.227 7.423 0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.151 8.376 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.260 7.028 2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.439 7.744 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.738 8.664 2.336 1.00 0.00 H new ATOM 729 N TRP A 51 -1.532 5.897 1.124 1.00 0.00 N ATOM 730 CA TRP A 51 -0.477 5.115 1.758 1.00 0.00 C ATOM 731 C TRP A 51 0.238 5.932 2.829 1.00 0.00 C ATOM 732 O TRP A 51 0.326 7.155 2.734 1.00 0.00 O ATOM 733 CB TRP A 51 0.529 4.634 0.711 1.00 0.00 C ATOM 734 CG TRP A 51 -0.041 3.626 -0.240 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.693 3.882 -1.412 1.00 0.00 C ATOM 736 CD2 TRP A 51 -0.009 2.201 -0.099 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.070 2.702 -2.008 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.661 1.657 -1.223 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.508 1.333 0.866 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.810 0.284 -1.404 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.359 -0.029 0.684 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.294 -0.543 -0.444 1.00 0.00 C ATOM 0 H TRP A 51 -1.236 6.409 0.293 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.938 4.250 2.234 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.892 5.492 0.145 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.390 4.199 1.218 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.884 4.867 -1.812 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.573 2.618 -2.892 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.015 1.719 1.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.315 -0.114 -2.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.753 -0.709 1.425 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.392 -1.613 -0.558 1.00 0.00 H new ATOM 753 N ASN A 52 0.746 5.247 3.849 1.00 0.00 N ATOM 754 CA ASN A 52 1.453 5.910 4.938 1.00 0.00 C ATOM 755 C ASN A 52 2.405 4.944 5.637 1.00 0.00 C ATOM 756 O ASN A 52 2.158 3.739 5.686 1.00 0.00 O ATOM 757 CB ASN A 52 0.455 6.480 5.949 1.00 0.00 C ATOM 758 CG ASN A 52 -0.102 7.823 5.517 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.569 8.850 5.629 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.334 7.822 5.022 1.00 0.00 N ATOM 0 H ASN A 52 0.681 4.233 3.944 1.00 0.00 H new ATOM 0 HA ASN A 52 2.038 6.726 4.514 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.366 5.775 6.082 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.944 6.587 6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.761 8.696 4.716 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.853 6.947 4.948 1.00 0.00 H new ATOM 767 N LEU A 53 3.493 5.482 6.176 1.00 0.00 N ATOM 768 CA LEU A 53 4.484 4.668 6.873 1.00 0.00 C ATOM 769 C LEU A 53 4.321 4.789 8.385 1.00 0.00 C ATOM 770 O LEU A 53 4.614 5.832 8.969 1.00 0.00 O ATOM 771 CB LEU A 53 5.897 5.090 6.466 1.00 0.00 C ATOM 772 CG LEU A 53 7.033 4.191 6.955 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.810 2.756 6.503 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.374 4.707 6.456 1.00 0.00 C ATOM 0 H LEU A 53 3.712 6.478 6.144 1.00 0.00 H new ATOM 0 HA LEU A 53 4.327 3.627 6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.941 5.138 5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.074 6.100 6.837 1.00 0.00 H new ATOM 0 HG LEU A 53 7.042 4.210 8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.628 2.131 6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.868 2.388 6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.774 2.719 5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.171 4.055 6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.377 4.719 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.537 5.718 6.830 1.00 0.00 H new ATOM 786 N ILE A 54 3.854 3.714 9.012 1.00 0.00 N ATOM 787 CA ILE A 54 3.655 3.699 10.456 1.00 0.00 C ATOM 788 C ILE A 54 4.784 2.951 11.158 1.00 0.00 C ATOM 789 O ILE A 54 5.132 3.259 12.298 1.00 0.00 O ATOM 790 CB ILE A 54 2.311 3.048 10.832 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.222 1.637 10.249 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.153 3.904 10.342 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.752 1.605 8.812 1.00 0.00 C ATOM 0 H ILE A 54 3.607 2.843 8.543 1.00 0.00 H new ATOM 0 HA ILE A 54 3.651 4.738 10.785 1.00 0.00 H new ATOM 0 HB ILE A 54 2.250 2.976 11.918 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.202 1.164 10.313 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.541 1.043 10.859 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.210 3.431 10.615 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.210 4.891 10.801 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.208 4.004 9.258 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.713 0.572 8.465 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.759 2.048 8.744 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.445 2.171 8.190 1.00 0.00 H new ATOM 805 N SER A 55 5.354 1.968 10.468 1.00 0.00 N ATOM 806 CA SER A 55 6.442 1.174 11.026 1.00 0.00 C ATOM 807 C SER A 55 7.693 1.283 10.159 1.00 0.00 C ATOM 808 O SER A 55 7.674 0.946 8.975 1.00 0.00 O ATOM 809 CB SER A 55 6.021 -0.291 11.151 1.00 0.00 C ATOM 810 OG SER A 55 6.690 -0.924 12.228 1.00 0.00 O ATOM 0 H SER A 55 5.080 1.703 9.522 1.00 0.00 H new ATOM 0 HA SER A 55 6.672 1.564 12.018 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.943 -0.351 11.303 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.242 -0.817 10.222 1.00 0.00 H new ATOM 0 HG SER A 55 6.402 -1.859 12.288 1.00 0.00 H new ATOM 816 N HIS A 56 8.781 1.757 10.758 1.00 0.00 N ATOM 817 CA HIS A 56 10.043 1.911 10.042 1.00 0.00 C ATOM 818 C HIS A 56 11.164 2.309 10.997 1.00 0.00 C ATOM 819 O HIS A 56 10.939 2.946 12.026 1.00 0.00 O ATOM 820 CB HIS A 56 9.902 2.958 8.938 1.00 0.00 C ATOM 821 CG HIS A 56 9.710 4.351 9.454 1.00 0.00 C ATOM 822 ND1 HIS A 56 10.713 5.298 9.457 1.00 0.00 N ATOM 823 CD2 HIS A 56 8.622 4.957 9.983 1.00 0.00 C ATOM 824 CE1 HIS A 56 10.250 6.424 9.969 1.00 0.00 C ATOM 825 NE2 HIS A 56 8.983 6.244 10.296 1.00 0.00 N ATOM 0 H HIS A 56 8.814 2.041 11.737 1.00 0.00 H new ATOM 0 HA HIS A 56 10.297 0.951 9.592 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.791 2.932 8.308 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.055 2.694 8.304 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.650 4.511 10.131 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.812 7.337 10.098 1.00 0.00 H new ATOM 0 HE2 HIS A 56 8.372 6.947 10.713 1.00 0.00 H new ATOM 834 N PRO A 57 12.402 1.924 10.651 1.00 0.00 N ATOM 835 CA PRO A 57 13.582 2.230 11.464 1.00 0.00 C ATOM 836 C PRO A 57 13.932 3.714 11.443 1.00 0.00 C ATOM 837 O PRO A 57 13.373 4.484 10.662 1.00 0.00 O ATOM 838 CB PRO A 57 14.692 1.410 10.801 1.00 0.00 C ATOM 839 CG PRO A 57 14.244 1.238 9.390 1.00 0.00 C ATOM 840 CD PRO A 57 12.743 1.162 9.438 1.00 0.00 C ATOM 0 HA PRO A 57 13.425 1.990 12.516 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.650 1.927 10.852 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.822 0.447 11.295 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.573 2.073 8.772 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.667 0.333 8.954 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.290 1.599 8.548 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.395 0.131 9.500 1.00 0.00 H new ATOM 848 N THR A 58 14.862 4.110 12.307 1.00 0.00 N ATOM 849 CA THR A 58 15.286 5.502 12.388 1.00 0.00 C ATOM 850 C THR A 58 16.264 5.845 11.270 1.00 0.00 C ATOM 851 O THR A 58 16.337 6.991 10.826 1.00 0.00 O ATOM 852 CB THR A 58 15.947 5.810 13.745 1.00 0.00 C ATOM 853 OG1 THR A 58 15.867 7.212 14.022 1.00 0.00 O ATOM 854 CG2 THR A 58 17.403 5.369 13.750 1.00 0.00 C ATOM 0 H THR A 58 15.336 3.486 12.960 1.00 0.00 H new ATOM 0 HA THR A 58 14.389 6.112 12.282 1.00 0.00 H new ATOM 0 HB THR A 58 15.414 5.257 14.518 1.00 0.00 H new ATOM 0 HG1 THR A 58 16.288 7.399 14.887 1.00 0.00 H new ATOM 0 HG21 THR A 58 17.849 5.597 14.718 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.459 4.296 13.568 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.946 5.898 12.967 1.00 0.00 H new ATOM 862 N ASP A 59 17.014 4.845 10.819 1.00 0.00 N ATOM 863 CA ASP A 59 17.987 5.041 9.750 1.00 0.00 C ATOM 864 C ASP A 59 17.292 5.413 8.444 1.00 0.00 C ATOM 865 O ASP A 59 17.899 6.008 7.554 1.00 0.00 O ATOM 866 CB ASP A 59 18.823 3.776 9.555 1.00 0.00 C ATOM 867 CG ASP A 59 19.673 3.451 10.768 1.00 0.00 C ATOM 868 OD1 ASP A 59 19.131 3.465 11.893 1.00 0.00 O ATOM 869 OD2 ASP A 59 20.881 3.183 10.593 1.00 0.00 O ATOM 0 H ASP A 59 16.967 3.891 11.177 1.00 0.00 H new ATOM 0 HA ASP A 59 18.645 5.861 10.037 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.162 2.936 9.343 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.468 3.901 8.686 1.00 0.00 H new ATOM 874 N TYR A 60 16.017 5.057 8.336 1.00 0.00 N ATOM 875 CA TYR A 60 15.241 5.349 7.137 1.00 0.00 C ATOM 876 C TYR A 60 15.311 6.833 6.791 1.00 0.00 C ATOM 877 O TYR A 60 15.264 7.690 7.673 1.00 0.00 O ATOM 878 CB TYR A 60 13.783 4.929 7.333 1.00 0.00 C ATOM 879 CG TYR A 60 12.893 5.266 6.158 1.00 0.00 C ATOM 880 CD1 TYR A 60 13.261 4.926 4.862 1.00 0.00 C ATOM 881 CD2 TYR A 60 11.684 5.925 6.344 1.00 0.00 C ATOM 882 CE1 TYR A 60 12.451 5.233 3.786 1.00 0.00 C ATOM 883 CE2 TYR A 60 10.867 6.234 5.273 1.00 0.00 C ATOM 884 CZ TYR A 60 11.255 5.886 3.996 1.00 0.00 C ATOM 885 OH TYR A 60 10.445 6.194 2.927 1.00 0.00 O ATOM 0 H TYR A 60 15.499 4.566 9.064 1.00 0.00 H new ATOM 0 HA TYR A 60 15.669 4.781 6.311 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.744 3.854 7.511 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.391 5.415 8.226 1.00 0.00 H new ATOM 0 HD1 TYR A 60 14.196 4.413 4.693 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.378 6.200 7.342 1.00 0.00 H new ATOM 0 HE1 TYR A 60 12.753 4.963 2.785 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.930 6.745 5.435 1.00 0.00 H new ATOM 0 HH TYR A 60 10.569 5.527 2.220 1.00 0.00 H new ATOM 934 N ILE A 64 8.012 8.918 1.185 1.00 0.00 N ATOM 935 CA ILE A 64 6.870 8.335 0.491 1.00 0.00 C ATOM 936 C ILE A 64 5.818 9.394 0.179 1.00 0.00 C ATOM 937 O ILE A 64 5.562 10.288 0.986 1.00 0.00 O ATOM 938 CB ILE A 64 6.222 7.210 1.319 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.275 6.180 1.733 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.105 6.546 0.527 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.885 5.375 2.953 1.00 0.00 C ATOM 0 HA ILE A 64 7.247 7.916 -0.442 1.00 0.00 H new ATOM 0 HB ILE A 64 5.792 7.644 2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.453 5.500 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.216 6.694 1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.657 5.753 1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.345 7.287 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.512 6.122 -0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.678 4.665 3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.735 6.046 3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.961 4.833 2.751 1.00 0.00 H new ATOM 953 N LYS A 65 5.208 9.286 -0.996 1.00 0.00 N ATOM 954 CA LYS A 65 4.180 10.231 -1.415 1.00 0.00 C ATOM 955 C LYS A 65 2.788 9.709 -1.072 1.00 0.00 C ATOM 956 O LYS A 65 1.794 10.132 -1.661 1.00 0.00 O ATOM 957 CB LYS A 65 4.281 10.493 -2.919 1.00 0.00 C ATOM 958 CG LYS A 65 5.631 11.037 -3.352 1.00 0.00 C ATOM 959 CD LYS A 65 5.734 12.533 -3.106 1.00 0.00 C ATOM 960 CE LYS A 65 7.011 13.109 -3.701 1.00 0.00 C ATOM 961 NZ LYS A 65 8.184 12.895 -2.809 1.00 0.00 N ATOM 0 H LYS A 65 5.408 8.552 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 65 4.341 11.166 -0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.084 9.565 -3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.504 11.200 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.423 10.522 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.785 10.830 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.870 13.035 -3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.710 12.729 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.202 12.646 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.880 14.176 -3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.034 13.301 -3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.013 13.358 -1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.325 11.875 -2.660 1.00 0.00 H new ATOM 975 N GLN A 66 2.726 8.788 -0.115 1.00 0.00 N ATOM 976 CA GLN A 66 1.456 8.210 0.307 1.00 0.00 C ATOM 977 C GLN A 66 0.708 7.614 -0.882 1.00 0.00 C ATOM 978 O GLN A 66 -0.517 7.502 -0.864 1.00 0.00 O ATOM 979 CB GLN A 66 0.590 9.270 0.989 1.00 0.00 C ATOM 980 CG GLN A 66 1.215 9.849 2.248 1.00 0.00 C ATOM 981 CD GLN A 66 0.795 11.283 2.503 1.00 0.00 C ATOM 982 OE1 GLN A 66 1.446 12.223 2.047 1.00 0.00 O ATOM 983 NE2 GLN A 66 -0.300 11.458 3.234 1.00 0.00 N ATOM 0 H GLN A 66 3.540 8.427 0.382 1.00 0.00 H new ATOM 0 HA GLN A 66 1.668 7.412 1.018 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.398 10.079 0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.375 8.831 1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.934 9.235 3.104 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.301 9.802 2.164 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.809 10.650 3.592 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.632 12.401 3.437 1.00 0.00 H new ATOM 992 N GLY A 67 1.455 7.233 -1.914 1.00 0.00 N ATOM 993 CA GLY A 67 0.846 6.653 -3.096 1.00 0.00 C ATOM 994 C GLY A 67 -0.533 7.219 -3.374 1.00 0.00 C ATOM 995 O GLY A 67 -1.544 6.609 -3.024 1.00 0.00 O ATOM 0 H GLY A 67 2.471 7.316 -1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.489 6.832 -3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.774 5.573 -2.971 1.00 0.00 H new ATOM 999 N HIS A 68 -0.575 8.388 -4.005 1.00 0.00 N ATOM 1000 CA HIS A 68 -1.841 9.037 -4.329 1.00 0.00 C ATOM 1001 C HIS A 68 -2.697 8.142 -5.221 1.00 0.00 C ATOM 1002 O HIS A 68 -3.879 8.411 -5.436 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.589 10.376 -5.022 1.00 0.00 C ATOM 1004 CG HIS A 68 -1.323 11.502 -4.070 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -0.762 11.318 -2.824 1.00 0.00 N ATOM 1006 CD2 HIS A 68 -1.544 12.832 -4.189 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.651 12.485 -2.217 1.00 0.00 C ATOM 1008 NE2 HIS A 68 -1.118 13.421 -3.024 1.00 0.00 N ATOM 0 H HIS A 68 0.252 8.905 -4.302 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.379 9.214 -3.398 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.739 10.273 -5.696 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.454 10.627 -5.636 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.975 13.336 -5.041 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.247 12.647 -1.229 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.156 14.419 -2.816 1.00 0.00 H new ATOM 1017 N LYS A 69 -2.092 7.078 -5.738 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.798 6.143 -6.606 1.00 0.00 C ATOM 1019 C LYS A 69 -2.940 4.780 -5.936 1.00 0.00 C ATOM 1020 O LYS A 69 -2.545 4.601 -4.785 1.00 0.00 O ATOM 1021 CB LYS A 69 -2.059 5.994 -7.938 1.00 0.00 C ATOM 1022 CG LYS A 69 -2.441 7.044 -8.966 1.00 0.00 C ATOM 1023 CD LYS A 69 -1.297 7.328 -9.925 1.00 0.00 C ATOM 1024 CE LYS A 69 -1.767 8.119 -11.136 1.00 0.00 C ATOM 1025 NZ LYS A 69 -0.635 8.783 -11.839 1.00 0.00 N ATOM 0 H LYS A 69 -1.114 6.842 -5.571 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.795 6.542 -6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.986 6.049 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.263 5.005 -8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.312 6.705 -9.527 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.728 7.965 -8.458 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.516 7.884 -9.407 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.854 6.388 -10.253 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.283 7.452 -11.827 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.490 8.871 -10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.997 9.312 -12.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.158 9.438 -11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.042 8.063 -12.163 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.506 3.824 -6.666 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.699 2.477 -6.141 1.00 0.00 C ATOM 1041 C GLN A 70 -2.365 1.751 -6.001 1.00 0.00 C ATOM 1042 O GLN A 70 -2.299 0.649 -5.454 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.633 1.680 -7.054 1.00 0.00 C ATOM 1044 CG GLN A 70 -4.600 0.182 -6.799 1.00 0.00 C ATOM 1045 CD GLN A 70 -5.778 -0.542 -7.421 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -6.826 0.055 -7.673 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -5.613 -1.835 -7.673 1.00 0.00 N ATOM 0 H GLN A 70 -3.838 3.957 -7.621 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.152 2.561 -5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.653 2.041 -6.920 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.361 1.870 -8.092 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.673 -0.230 -7.198 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.593 0.000 -5.724 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.728 -2.290 -7.448 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.371 -2.374 -8.092 1.00 0.00 H new ATOM 1056 N THR A 71 -1.302 2.375 -6.499 1.00 0.00 N ATOM 1057 CA THR A 71 0.031 1.788 -6.431 1.00 0.00 C ATOM 1058 C THR A 71 1.021 2.746 -5.778 1.00 0.00 C ATOM 1059 O THR A 71 0.993 3.951 -6.031 1.00 0.00 O ATOM 1060 CB THR A 71 0.549 1.407 -7.831 1.00 0.00 C ATOM 1061 OG1 THR A 71 0.049 2.329 -8.806 1.00 0.00 O ATOM 1062 CG2 THR A 71 0.126 -0.007 -8.199 1.00 0.00 C ATOM 0 H THR A 71 -1.338 3.287 -6.954 1.00 0.00 H new ATOM 0 HA THR A 71 -0.051 0.886 -5.824 1.00 0.00 H new ATOM 0 HB THR A 71 1.638 1.450 -7.815 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.384 2.081 -9.693 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.503 -0.253 -9.192 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.533 -0.709 -7.472 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.962 -0.073 -8.198 1.00 0.00 H new ATOM 1070 N LEU A 72 1.895 2.203 -4.938 1.00 0.00 N ATOM 1071 CA LEU A 72 2.895 3.010 -4.248 1.00 0.00 C ATOM 1072 C LEU A 72 4.305 2.606 -4.669 1.00 0.00 C ATOM 1073 O LEU A 72 4.728 1.473 -4.446 1.00 0.00 O ATOM 1074 CB LEU A 72 2.741 2.864 -2.733 1.00 0.00 C ATOM 1075 CG LEU A 72 3.108 4.092 -1.900 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.407 3.693 -0.463 1.00 0.00 C ATOM 1077 CD2 LEU A 72 4.299 4.816 -2.512 1.00 0.00 C ATOM 0 H LEU A 72 1.931 1.208 -4.718 1.00 0.00 H new ATOM 0 HA LEU A 72 2.738 4.053 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.706 2.599 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.359 2.029 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 72 2.256 4.772 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.666 4.580 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.528 3.220 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.242 2.992 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.546 5.687 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.156 4.143 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.049 5.137 -3.523 1.00 0.00 H new ATOM 1089 N ASN A 73 5.027 3.543 -5.276 1.00 0.00 N ATOM 1090 CA ASN A 73 6.390 3.285 -5.726 1.00 0.00 C ATOM 1091 C ASN A 73 7.404 3.939 -4.793 1.00 0.00 C ATOM 1092 O ASN A 73 7.323 5.135 -4.510 1.00 0.00 O ATOM 1093 CB ASN A 73 6.584 3.802 -7.153 1.00 0.00 C ATOM 1094 CG ASN A 73 6.303 2.739 -8.197 1.00 0.00 C ATOM 1095 OD1 ASN A 73 7.160 2.422 -9.023 1.00 0.00 O ATOM 1096 ND2 ASN A 73 5.098 2.182 -8.164 1.00 0.00 N ATOM 0 H ASN A 73 4.691 4.487 -5.467 1.00 0.00 H new ATOM 0 HA ASN A 73 6.553 2.207 -5.712 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.926 4.654 -7.320 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.606 4.161 -7.270 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.851 1.460 -8.841 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.419 2.476 -7.462 1.00 0.00 H new ATOM 1103 N LEU A 74 8.359 3.147 -4.318 1.00 0.00 N ATOM 1104 CA LEU A 74 9.391 3.649 -3.417 1.00 0.00 C ATOM 1105 C LEU A 74 10.750 3.681 -4.108 1.00 0.00 C ATOM 1106 O LEU A 74 10.989 2.941 -5.062 1.00 0.00 O ATOM 1107 CB LEU A 74 9.465 2.779 -2.160 1.00 0.00 C ATOM 1108 CG LEU A 74 8.485 3.132 -1.041 1.00 0.00 C ATOM 1109 CD1 LEU A 74 7.177 2.377 -1.220 1.00 0.00 C ATOM 1110 CD2 LEU A 74 9.097 2.828 0.319 1.00 0.00 C ATOM 0 H LEU A 74 8.440 2.155 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 74 9.126 4.667 -3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.296 1.742 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.478 2.838 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 74 8.274 4.200 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.492 2.641 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.731 2.644 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.370 1.304 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.386 3.085 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.337 1.767 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.007 3.414 0.448 1.00 0.00 H new ATOM 1122 N SER A 75 11.637 4.542 -3.620 1.00 0.00 N ATOM 1123 CA SER A 75 12.972 4.671 -4.192 1.00 0.00 C ATOM 1124 C SER A 75 13.991 5.032 -3.116 1.00 0.00 C ATOM 1125 O SER A 75 13.627 5.423 -2.008 1.00 0.00 O ATOM 1126 CB SER A 75 12.977 5.733 -5.293 1.00 0.00 C ATOM 1127 OG SER A 75 12.661 7.011 -4.770 1.00 0.00 O ATOM 0 H SER A 75 11.455 5.161 -2.830 1.00 0.00 H new ATOM 0 HA SER A 75 13.251 3.710 -4.623 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.957 5.764 -5.769 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.256 5.464 -6.065 1.00 0.00 H new ATOM 0 HG SER A 75 12.672 7.672 -5.493 1.00 0.00 H new ATOM 1133 N GLN A 76 15.270 4.898 -3.453 1.00 0.00 N ATOM 1134 CA GLN A 76 16.343 5.209 -2.515 1.00 0.00 C ATOM 1135 C GLN A 76 16.097 4.544 -1.165 1.00 0.00 C ATOM 1136 O GLN A 76 16.412 5.108 -0.117 1.00 0.00 O ATOM 1137 CB GLN A 76 16.469 6.723 -2.336 1.00 0.00 C ATOM 1138 CG GLN A 76 17.383 7.383 -3.356 1.00 0.00 C ATOM 1139 CD GLN A 76 17.653 8.841 -3.041 1.00 0.00 C ATOM 1140 OE1 GLN A 76 16.766 9.564 -2.585 1.00 0.00 O ATOM 1141 NE2 GLN A 76 18.882 9.281 -3.284 1.00 0.00 N ATOM 0 H GLN A 76 15.588 4.577 -4.367 1.00 0.00 H new ATOM 0 HA GLN A 76 17.275 4.820 -2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.478 7.172 -2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 76 16.845 6.932 -1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.329 6.842 -3.394 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.932 7.307 -4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 76 19.585 8.646 -3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 76 19.123 10.254 -3.093 1.00 0.00 H new ATOM 1150 N LEU A 77 15.531 3.342 -1.198 1.00 0.00 N ATOM 1151 CA LEU A 77 15.242 2.600 0.024 1.00 0.00 C ATOM 1152 C LEU A 77 16.515 1.999 0.611 1.00 0.00 C ATOM 1153 O LEU A 77 17.414 1.587 -0.122 1.00 0.00 O ATOM 1154 CB LEU A 77 14.225 1.492 -0.258 1.00 0.00 C ATOM 1155 CG LEU A 77 12.780 1.945 -0.472 1.00 0.00 C ATOM 1156 CD1 LEU A 77 11.941 0.808 -1.032 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.185 2.459 0.831 1.00 0.00 C ATOM 0 H LEU A 77 15.263 2.861 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 77 14.822 3.295 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.549 0.947 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.244 0.788 0.574 1.00 0.00 H new ATOM 0 HG LEU A 77 12.778 2.760 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.916 1.149 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.355 0.486 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.949 -0.028 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.156 2.777 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.200 1.664 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.772 3.305 1.190 1.00 0.00 H new ATOM 1169 N SER A 78 16.584 1.951 1.937 1.00 0.00 N ATOM 1170 CA SER A 78 17.748 1.402 2.623 1.00 0.00 C ATOM 1171 C SER A 78 17.421 0.051 3.251 1.00 0.00 C ATOM 1172 O SER A 78 16.304 -0.450 3.127 1.00 0.00 O ATOM 1173 CB SER A 78 18.237 2.373 3.700 1.00 0.00 C ATOM 1174 OG SER A 78 18.741 3.564 3.122 1.00 0.00 O ATOM 0 H SER A 78 15.848 2.286 2.558 1.00 0.00 H new ATOM 0 HA SER A 78 18.539 1.259 1.887 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.417 2.612 4.377 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.015 1.897 4.297 1.00 0.00 H new ATOM 0 HG SER A 78 19.045 4.168 3.831 1.00 0.00 H new ATOM 1180 N VAL A 79 18.406 -0.534 3.926 1.00 0.00 N ATOM 1181 CA VAL A 79 18.224 -1.827 4.575 1.00 0.00 C ATOM 1182 C VAL A 79 17.396 -1.692 5.848 1.00 0.00 C ATOM 1183 O VAL A 79 17.805 -1.027 6.799 1.00 0.00 O ATOM 1184 CB VAL A 79 19.578 -2.475 4.922 1.00 0.00 C ATOM 1185 CG1 VAL A 79 19.367 -3.795 5.649 1.00 0.00 C ATOM 1186 CG2 VAL A 79 20.410 -2.676 3.665 1.00 0.00 C ATOM 0 H VAL A 79 19.337 -0.133 4.037 1.00 0.00 H new ATOM 0 HA VAL A 79 17.694 -2.465 3.868 1.00 0.00 H new ATOM 0 HB VAL A 79 20.123 -1.804 5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.334 -4.238 5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.813 -3.618 6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.802 -4.475 5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 79 21.363 -3.135 3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.874 -3.326 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 79 20.591 -1.712 3.190 1.00 0.00 H new ATOM 1196 N GLY A 80 16.229 -2.328 5.858 1.00 0.00 N ATOM 1197 CA GLY A 80 15.361 -2.267 7.020 1.00 0.00 C ATOM 1198 C GLY A 80 13.932 -2.654 6.697 1.00 0.00 C ATOM 1199 O GLY A 80 13.593 -2.898 5.538 1.00 0.00 O ATOM 0 H GLY A 80 15.869 -2.884 5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.748 -2.930 7.794 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.377 -1.257 7.429 1.00 0.00 H new ATOM 1203 N LEU A 81 13.090 -2.715 7.723 1.00 0.00 N ATOM 1204 CA LEU A 81 11.689 -3.078 7.544 1.00 0.00 C ATOM 1205 C LEU A 81 10.823 -1.835 7.364 1.00 0.00 C ATOM 1206 O LEU A 81 11.077 -0.795 7.973 1.00 0.00 O ATOM 1207 CB LEU A 81 11.194 -3.889 8.742 1.00 0.00 C ATOM 1208 CG LEU A 81 9.786 -4.473 8.622 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.664 -5.316 7.362 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.445 -5.300 9.854 1.00 0.00 C ATOM 0 H LEU A 81 13.354 -2.517 8.688 1.00 0.00 H new ATOM 0 HA LEU A 81 11.610 -3.687 6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.892 -4.708 8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.227 -3.251 9.625 1.00 0.00 H new ATOM 0 HG LEU A 81 9.076 -3.649 8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.655 -5.724 7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.865 -4.696 6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.384 -6.134 7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.439 -5.708 9.751 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.160 -6.117 9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.491 -4.668 10.741 1.00 0.00 H new ATOM 1222 N TYR A 82 9.799 -1.950 6.526 1.00 0.00 N ATOM 1223 CA TYR A 82 8.895 -0.836 6.267 1.00 0.00 C ATOM 1224 C TYR A 82 7.459 -1.325 6.104 1.00 0.00 C ATOM 1225 O TYR A 82 7.172 -2.175 5.260 1.00 0.00 O ATOM 1226 CB TYR A 82 9.333 -0.078 5.012 1.00 0.00 C ATOM 1227 CG TYR A 82 10.797 0.297 5.011 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.227 1.499 5.561 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.752 -0.550 4.462 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.564 1.846 5.562 1.00 0.00 C ATOM 1231 CE2 TYR A 82 13.091 -0.212 4.460 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.492 0.988 5.010 1.00 0.00 C ATOM 1233 OH TYR A 82 14.825 1.329 5.010 1.00 0.00 O ATOM 0 H TYR A 82 9.574 -2.803 6.014 1.00 0.00 H new ATOM 0 HA TYR A 82 8.935 -0.163 7.123 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.123 -0.691 4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.734 0.828 4.918 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.503 2.173 5.995 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.442 -1.489 4.029 1.00 0.00 H new ATOM 0 HE1 TYR A 82 12.881 2.784 5.993 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.820 -0.883 4.030 1.00 0.00 H new ATOM 0 HH TYR A 82 15.321 0.709 4.436 1.00 0.00 H new ATOM 1243 N VAL A 83 6.560 -0.782 6.918 1.00 0.00 N ATOM 1244 CA VAL A 83 5.153 -1.161 6.865 1.00 0.00 C ATOM 1245 C VAL A 83 4.301 -0.031 6.297 1.00 0.00 C ATOM 1246 O VAL A 83 4.166 1.028 6.911 1.00 0.00 O ATOM 1247 CB VAL A 83 4.620 -1.540 8.260 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.141 -1.888 8.190 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.422 -2.695 8.840 1.00 0.00 C ATOM 0 H VAL A 83 6.781 -0.078 7.622 1.00 0.00 H new ATOM 0 HA VAL A 83 5.084 -2.030 6.210 1.00 0.00 H new ATOM 0 HB VAL A 83 4.735 -0.680 8.920 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.782 -2.153 9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.582 -1.029 7.820 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.997 -2.732 7.516 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.032 -2.950 9.826 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.341 -3.561 8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.469 -2.403 8.928 1.00 0.00 H new ATOM 1259 N PHE A 84 3.726 -0.264 5.122 1.00 0.00 N ATOM 1260 CA PHE A 84 2.887 0.734 4.470 1.00 0.00 C ATOM 1261 C PHE A 84 1.408 0.397 4.641 1.00 0.00 C ATOM 1262 O PHE A 84 0.959 -0.685 4.261 1.00 0.00 O ATOM 1263 CB PHE A 84 3.231 0.829 2.982 1.00 0.00 C ATOM 1264 CG PHE A 84 4.703 0.729 2.701 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.553 1.782 3.001 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.238 -0.418 2.136 1.00 0.00 C ATOM 1267 CE1 PHE A 84 6.907 1.693 2.742 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.592 -0.513 1.875 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.428 0.544 2.180 1.00 0.00 C ATOM 0 H PHE A 84 3.826 -1.136 4.602 1.00 0.00 H new ATOM 0 HA PHE A 84 3.080 1.697 4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.712 0.035 2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.858 1.775 2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.152 2.682 3.442 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.589 -1.248 1.897 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.558 2.522 2.979 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.996 -1.412 1.433 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.487 0.472 1.979 1.00 0.00 H new ATOM 1279 N LYS A 85 0.657 1.330 5.214 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.771 1.135 5.436 1.00 0.00 C ATOM 1281 C LYS A 85 -1.592 1.921 4.419 1.00 0.00 C ATOM 1282 O LYS A 85 -1.640 3.151 4.463 1.00 0.00 O ATOM 1283 CB LYS A 85 -1.151 1.563 6.855 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.640 1.796 7.041 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.914 2.783 8.164 1.00 0.00 C ATOM 1286 CE LYS A 85 -3.204 2.069 9.475 1.00 0.00 C ATOM 1287 NZ LYS A 85 -4.661 1.825 9.665 1.00 0.00 N ATOM 0 H LYS A 85 1.014 2.230 5.534 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.991 0.075 5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.821 0.797 7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.614 2.478 7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.069 2.172 6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.133 0.849 7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.054 3.441 8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.762 3.414 7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.671 1.118 9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.825 2.666 10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.816 1.337 10.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.167 2.733 9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.018 1.234 8.887 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.238 1.204 3.505 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.059 1.835 2.479 1.00 0.00 C ATOM 1303 C VAL A 86 -4.499 2.002 2.953 1.00 0.00 C ATOM 1304 O VAL A 86 -5.321 1.097 2.809 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.052 1.019 1.173 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.148 -0.470 1.473 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.186 1.461 0.261 1.00 0.00 C ATOM 0 H VAL A 86 -2.209 0.186 3.454 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.626 2.817 2.287 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.110 1.202 0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.142 -1.031 0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.298 -0.774 2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.073 -0.674 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.165 0.873 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.140 1.310 0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.067 2.517 0.018 1.00 0.00 H new ATOM 1317 N THR A 87 -4.798 3.167 3.519 1.00 0.00 N ATOM 1318 CA THR A 87 -6.138 3.454 4.015 1.00 0.00 C ATOM 1319 C THR A 87 -7.066 3.875 2.882 1.00 0.00 C ATOM 1320 O THR A 87 -6.931 4.966 2.328 1.00 0.00 O ATOM 1321 CB THR A 87 -6.116 4.563 5.084 1.00 0.00 C ATOM 1322 OG1 THR A 87 -4.825 4.624 5.700 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.178 4.313 6.145 1.00 0.00 C ATOM 0 H THR A 87 -4.130 3.927 3.645 1.00 0.00 H new ATOM 0 HA THR A 87 -6.512 2.534 4.464 1.00 0.00 H new ATOM 0 HB THR A 87 -6.330 5.513 4.595 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.819 5.333 6.377 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.143 5.109 6.889 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.162 4.296 5.677 1.00 0.00 H new ATOM 0 HG23 THR A 87 -6.990 3.355 6.630 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.009 3.002 2.540 1.00 0.00 N ATOM 1332 CA VAL A 88 -8.961 3.285 1.473 1.00 0.00 C ATOM 1333 C VAL A 88 -10.387 3.342 2.009 1.00 0.00 C ATOM 1334 O VAL A 88 -10.969 2.317 2.365 1.00 0.00 O ATOM 1335 CB VAL A 88 -8.886 2.225 0.358 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -10.134 2.272 -0.510 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.634 2.425 -0.483 1.00 0.00 C ATOM 0 H VAL A 88 -8.134 2.093 2.987 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.692 4.257 1.059 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.832 1.240 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.062 1.516 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.012 2.076 0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.223 3.258 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.597 1.668 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.655 3.416 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.752 2.335 0.151 1.00 0.00 H new ATOM 1347 N SER A 89 -10.945 4.547 2.064 1.00 0.00 N ATOM 1348 CA SER A 89 -12.303 4.738 2.561 1.00 0.00 C ATOM 1349 C SER A 89 -13.137 5.540 1.566 1.00 0.00 C ATOM 1350 O SER A 89 -12.599 6.272 0.735 1.00 0.00 O ATOM 1351 CB SER A 89 -12.278 5.452 3.914 1.00 0.00 C ATOM 1352 OG SER A 89 -13.391 5.079 4.707 1.00 0.00 O ATOM 0 H SER A 89 -10.478 5.405 1.771 1.00 0.00 H new ATOM 0 HA SER A 89 -12.760 3.756 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.355 5.209 4.440 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.283 6.531 3.760 1.00 0.00 H new ATOM 0 HG SER A 89 -13.077 4.697 5.553 1.00 0.00 H new ATOM 1358 N SER A 90 -14.455 5.395 1.657 1.00 0.00 N ATOM 1359 CA SER A 90 -15.365 6.102 0.763 1.00 0.00 C ATOM 1360 C SER A 90 -16.478 6.787 1.550 1.00 0.00 C ATOM 1361 O SER A 90 -16.481 6.772 2.781 1.00 0.00 O ATOM 1362 CB SER A 90 -15.968 5.133 -0.256 1.00 0.00 C ATOM 1363 OG SER A 90 -16.626 5.832 -1.298 1.00 0.00 O ATOM 0 H SER A 90 -14.917 4.795 2.340 1.00 0.00 H new ATOM 0 HA SER A 90 -14.794 6.866 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.181 4.505 -0.675 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.674 4.469 0.243 1.00 0.00 H new ATOM 0 HG SER A 90 -17.001 5.190 -1.937 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.421 7.386 0.831 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.539 8.077 1.462 1.00 0.00 C ATOM 1371 C GLU A 91 -19.333 7.127 2.354 1.00 0.00 C ATOM 1372 O GLU A 91 -19.665 7.459 3.491 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.458 8.684 0.400 1.00 0.00 C ATOM 1374 CG GLU A 91 -20.725 9.300 0.971 1.00 0.00 C ATOM 1375 CD GLU A 91 -21.376 10.284 0.018 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -21.589 9.917 -1.157 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -21.671 11.419 0.446 1.00 0.00 O ATOM 0 H GLU A 91 -17.433 7.407 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.134 8.877 2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -18.909 9.448 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.732 7.910 -0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -21.434 8.507 1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.488 9.808 1.906 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.633 5.944 1.829 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.389 4.945 2.576 1.00 0.00 C ATOM 1386 C ASN A 92 -19.608 3.638 2.681 1.00 0.00 C ATOM 1387 O ASN A 92 -20.187 2.553 2.658 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.741 4.691 1.907 1.00 0.00 C ATOM 1389 CG ASN A 92 -21.616 4.500 0.407 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -20.616 3.976 -0.082 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -22.636 4.926 -0.330 1.00 0.00 N ATOM 0 H ASN A 92 -19.364 5.653 0.889 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.556 5.330 3.582 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -22.200 3.806 2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.407 5.530 2.110 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -22.610 4.824 -1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -23.445 5.355 0.119 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.289 3.752 2.798 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.428 2.580 2.909 1.00 0.00 C ATOM 1400 C ALA A 93 -16.138 2.915 3.651 1.00 0.00 C ATOM 1401 O ALA A 93 -15.824 4.085 3.874 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.116 2.022 1.529 1.00 0.00 C ATOM 0 H ALA A 93 -17.793 4.643 2.818 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.960 1.822 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.473 1.148 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.044 1.736 1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.607 2.782 0.936 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.395 1.882 4.031 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.139 2.066 4.749 1.00 0.00 C ATOM 1410 C PHE A 94 -13.308 0.787 4.730 1.00 0.00 C ATOM 1411 O PHE A 94 -13.802 -0.292 5.056 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.411 2.490 6.194 1.00 0.00 C ATOM 1413 CG PHE A 94 -13.166 2.628 7.023 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -11.985 3.078 6.454 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -13.176 2.307 8.371 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -10.838 3.206 7.214 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -12.032 2.434 9.136 1.00 0.00 C ATOM 1418 CZ PHE A 94 -10.861 2.883 8.556 1.00 0.00 C ATOM 0 H PHE A 94 -15.641 0.908 3.854 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.574 2.852 4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.943 3.441 6.191 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.070 1.758 6.661 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.961 3.332 5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -14.088 1.954 8.829 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.924 3.558 6.759 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.053 2.183 10.186 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.965 2.981 9.151 1.00 0.00 H new ATOM 1428 N GLY A 95 -12.042 0.916 4.346 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.162 -0.237 4.290 1.00 0.00 C ATOM 1430 C GLY A 95 -9.708 0.132 4.507 1.00 0.00 C ATOM 1431 O GLY A 95 -9.264 1.200 4.087 1.00 0.00 O ATOM 0 H GLY A 95 -11.610 1.798 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.467 -0.960 5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.269 -0.725 3.321 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.966 -0.753 5.166 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.554 -0.512 5.440 1.00 0.00 C ATOM 1437 C GLU A 96 -6.740 -1.789 5.260 1.00 0.00 C ATOM 1438 O GLU A 96 -7.223 -2.889 5.524 1.00 0.00 O ATOM 1439 CB GLU A 96 -7.372 0.027 6.860 1.00 0.00 C ATOM 1440 CG GLU A 96 -8.558 0.832 7.363 1.00 0.00 C ATOM 1441 CD GLU A 96 -9.782 -0.026 7.615 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -9.719 -0.905 8.500 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -10.804 0.181 6.928 1.00 0.00 O ATOM 0 H GLU A 96 -9.319 -1.642 5.520 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.193 0.231 4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.198 -0.809 7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.480 0.653 6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.281 1.342 8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.804 1.604 6.633 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.499 -1.635 4.808 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.636 -2.783 4.599 1.00 0.00 C ATOM 1452 C GLY A 97 -3.255 -2.585 5.190 1.00 0.00 C ATOM 1453 O GLY A 97 -2.903 -1.483 5.612 1.00 0.00 O ATOM 0 H GLY A 97 -5.076 -0.735 4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.096 -3.665 5.045 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.546 -2.976 3.530 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.468 -3.656 5.223 1.00 0.00 N ATOM 1458 CA PHE A 98 -1.118 -3.596 5.770 1.00 0.00 C ATOM 1459 C PHE A 98 -0.160 -4.453 4.947 1.00 0.00 C ATOM 1460 O PHE A 98 -0.427 -5.625 4.683 1.00 0.00 O ATOM 1461 CB PHE A 98 -1.113 -4.063 7.227 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.282 -2.944 8.215 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -2.503 -2.305 8.356 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -0.220 -2.532 9.003 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -2.661 -1.274 9.263 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -0.372 -1.502 9.913 1.00 0.00 C ATOM 1467 CZ PHE A 98 -1.594 -0.873 10.044 1.00 0.00 C ATOM 0 H PHE A 98 -2.742 -4.576 4.877 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.781 -2.560 5.727 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.914 -4.788 7.371 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.175 -4.579 7.432 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.341 -2.616 7.750 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.738 -3.021 8.906 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.618 -0.782 9.361 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.464 -1.190 10.521 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.716 -0.069 10.755 1.00 0.00 H new ATOM 1477 N VAL A 99 0.959 -3.858 4.544 1.00 0.00 N ATOM 1478 CA VAL A 99 1.958 -4.565 3.752 1.00 0.00 C ATOM 1479 C VAL A 99 3.369 -4.134 4.135 1.00 0.00 C ATOM 1480 O VAL A 99 3.696 -2.948 4.107 1.00 0.00 O ATOM 1481 CB VAL A 99 1.751 -4.326 2.244 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.077 -2.885 1.883 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.597 -5.293 1.431 1.00 0.00 C ATOM 0 H VAL A 99 1.196 -2.888 4.753 1.00 0.00 H new ATOM 0 HA VAL A 99 1.836 -5.627 3.964 1.00 0.00 H new ATOM 0 HB VAL A 99 0.703 -4.507 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.925 -2.734 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.424 -2.214 2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.116 -2.673 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.439 -5.110 0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.650 -5.146 1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.310 -6.317 1.670 1.00 0.00 H new ATOM 1493 N ASN A 100 4.202 -5.106 4.492 1.00 0.00 N ATOM 1494 CA ASN A 100 5.580 -4.826 4.881 1.00 0.00 C ATOM 1495 C ASN A 100 6.547 -5.194 3.760 1.00 0.00 C ATOM 1496 O ASN A 100 6.242 -6.034 2.913 1.00 0.00 O ATOM 1497 CB ASN A 100 5.939 -5.598 6.153 1.00 0.00 C ATOM 1498 CG ASN A 100 5.227 -6.934 6.240 1.00 0.00 C ATOM 1499 OD1 ASN A 100 4.732 -7.452 5.238 1.00 0.00 O ATOM 1500 ND2 ASN A 100 5.172 -7.498 7.440 1.00 0.00 N ATOM 0 H ASN A 100 3.948 -6.093 4.520 1.00 0.00 H new ATOM 0 HA ASN A 100 5.667 -3.757 5.075 1.00 0.00 H new ATOM 0 HB2 ASN A 100 7.016 -5.761 6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.683 -4.996 7.025 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.706 -8.397 7.560 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.596 -7.032 8.242 1.00 0.00 H new ATOM 1507 N VAL A 101 7.715 -4.560 3.762 1.00 0.00 N ATOM 1508 CA VAL A 101 8.728 -4.821 2.746 1.00 0.00 C ATOM 1509 C VAL A 101 10.130 -4.787 3.347 1.00 0.00 C ATOM 1510 O VAL A 101 10.516 -3.814 3.996 1.00 0.00 O ATOM 1511 CB VAL A 101 8.649 -3.798 1.598 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.879 -3.897 0.708 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.377 -4.003 0.789 1.00 0.00 C ATOM 0 H VAL A 101 7.983 -3.862 4.456 1.00 0.00 H new ATOM 0 HA VAL A 101 8.529 -5.817 2.349 1.00 0.00 H new ATOM 0 HB VAL A 101 8.622 -2.797 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.805 -3.166 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.773 -3.696 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.942 -4.899 0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.337 -3.272 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.372 -5.008 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.509 -3.876 1.437 1.00 0.00 H new ATOM 1523 N THR A 102 10.888 -5.856 3.125 1.00 0.00 N ATOM 1524 CA THR A 102 12.247 -5.950 3.645 1.00 0.00 C ATOM 1525 C THR A 102 13.272 -5.631 2.562 1.00 0.00 C ATOM 1526 O THR A 102 13.073 -5.950 1.390 1.00 0.00 O ATOM 1527 CB THR A 102 12.536 -7.352 4.212 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.509 -7.727 5.138 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.889 -7.387 4.907 1.00 0.00 C ATOM 0 H THR A 102 10.584 -6.669 2.589 1.00 0.00 H new ATOM 0 HA THR A 102 12.330 -5.218 4.448 1.00 0.00 H new ATOM 0 HB THR A 102 12.553 -8.059 3.382 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.699 -8.620 5.493 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.071 -8.388 5.299 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.671 -7.129 4.193 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.895 -6.669 5.727 1.00 0.00 H new ATOM 1537 N VAL A 103 14.371 -5.000 2.963 1.00 0.00 N ATOM 1538 CA VAL A 103 15.430 -4.639 2.027 1.00 0.00 C ATOM 1539 C VAL A 103 16.755 -5.281 2.422 1.00 0.00 C ATOM 1540 O VAL A 103 17.447 -4.802 3.320 1.00 0.00 O ATOM 1541 CB VAL A 103 15.615 -3.112 1.950 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.835 -2.763 1.111 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.365 -2.452 1.388 1.00 0.00 C ATOM 0 H VAL A 103 14.552 -4.728 3.929 1.00 0.00 H new ATOM 0 HA VAL A 103 15.127 -5.011 1.048 1.00 0.00 H new ATOM 0 HB VAL A 103 15.777 -2.732 2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.949 -1.680 1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.724 -3.204 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.707 -3.154 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.513 -1.373 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.170 -2.836 0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.515 -2.673 2.034 1.00 0.00 H new ATOM 1553 N LYS A 104 17.103 -6.370 1.744 1.00 0.00 N ATOM 1554 CA LYS A 104 18.347 -7.079 2.022 1.00 0.00 C ATOM 1555 C LYS A 104 19.545 -6.311 1.473 1.00 0.00 C ATOM 1556 O LYS A 104 19.443 -5.569 0.496 1.00 0.00 O ATOM 1557 CB LYS A 104 18.305 -8.482 1.413 1.00 0.00 C ATOM 1558 CG LYS A 104 17.155 -9.333 1.925 1.00 0.00 C ATOM 1559 CD LYS A 104 17.411 -9.825 3.339 1.00 0.00 C ATOM 1560 CE LYS A 104 16.418 -10.904 3.742 1.00 0.00 C ATOM 1561 NZ LYS A 104 16.591 -11.314 5.163 1.00 0.00 N ATOM 0 H LYS A 104 16.541 -6.781 0.998 1.00 0.00 H new ATOM 0 HA LYS A 104 18.455 -7.162 3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.228 -8.396 0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.245 -8.990 1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.233 -8.752 1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.010 -10.186 1.263 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.425 -10.217 3.411 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.343 -8.988 4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.403 -10.538 3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.543 -11.773 3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.896 -12.051 5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.552 -11.687 5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.446 -10.491 5.782 1.00 0.00 H new ATOM 1575 N PRO A 105 20.710 -6.493 2.113 1.00 0.00 N ATOM 1576 CA PRO A 105 21.950 -5.827 1.705 1.00 0.00 C ATOM 1577 C PRO A 105 22.484 -6.359 0.379 1.00 0.00 C ATOM 1578 O PRO A 105 22.167 -7.477 -0.024 1.00 0.00 O ATOM 1579 CB PRO A 105 22.920 -6.155 2.842 1.00 0.00 C ATOM 1580 CG PRO A 105 22.401 -7.422 3.429 1.00 0.00 C ATOM 1581 CD PRO A 105 20.905 -7.362 3.285 1.00 0.00 C ATOM 0 HA PRO A 105 21.805 -4.759 1.545 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.938 -6.278 2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.945 -5.356 3.583 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.809 -8.289 2.909 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.689 -7.514 4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.476 -8.352 3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.432 -6.948 4.175 1.00 0.00 H new ATOM 1589 N ALA A 106 23.296 -5.550 -0.294 1.00 0.00 N ATOM 1590 CA ALA A 106 23.876 -5.940 -1.573 1.00 0.00 C ATOM 1591 C ALA A 106 24.708 -7.211 -1.433 1.00 0.00 C ATOM 1592 O ALA A 106 25.813 -7.184 -0.891 1.00 0.00 O ATOM 1593 CB ALA A 106 24.725 -4.810 -2.135 1.00 0.00 C ATOM 0 H ALA A 106 23.567 -4.620 0.026 1.00 0.00 H new ATOM 0 HA ALA A 106 23.060 -6.145 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 106 25.152 -5.116 -3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 106 24.104 -3.926 -2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.529 -4.577 -1.437 1.00 0.00 H new