USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 515 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.016 USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -24:sc= -0.169! USER MOD Single : A 25 SER OG : rot -52:sc= 0.773 USER MOD Single : A 30 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.116) USER MOD Single : A 32 ASN :FLIP amide:sc= -3.08! C(o=-4.8!,f=-3.1!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 44 ASN : amide:sc=-0.00809 X(o=-0.0081,f=-0.11) USER MOD Single : A 45 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.103) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -5.85! C(o=-5.9!,f=-6.8!) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.495 F(o=-1.2,f=-0.49) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -11.2! C(o=-11!,f=-24!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 74 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 137 N LYS A 11 3.799 8.300 -2.587 1.00 0.00 N ATOM 138 CA LYS A 11 4.571 7.572 -3.635 1.00 0.00 C ATOM 139 C LYS A 11 4.499 6.061 -3.397 1.00 0.00 C ATOM 140 O LYS A 11 4.362 5.286 -4.323 1.00 0.00 O ATOM 141 CB LYS A 11 6.009 8.072 -3.488 1.00 0.00 C ATOM 142 CG LYS A 11 6.155 9.423 -4.192 1.00 0.00 C ATOM 143 CD LYS A 11 6.509 9.197 -5.663 1.00 0.00 C ATOM 144 CE LYS A 11 6.383 10.517 -6.428 1.00 0.00 C ATOM 145 NZ LYS A 11 5.891 10.132 -7.780 1.00 0.00 N ATOM 0 HA LYS A 11 4.177 7.752 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.265 8.170 -2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.702 7.349 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.226 9.988 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.931 10.016 -3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.525 8.811 -5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.846 8.449 -6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.688 11.195 -5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.342 11.032 -6.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.779 10.985 -8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.576 9.492 -8.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.973 9.650 -7.691 1.00 0.00 H new ATOM 159 N TYR A 12 4.590 5.635 -2.165 1.00 0.00 N ATOM 160 CA TYR A 12 4.527 4.172 -1.876 1.00 0.00 C ATOM 161 C TYR A 12 3.856 3.921 -0.523 1.00 0.00 C ATOM 162 O TYR A 12 3.422 4.838 0.146 1.00 0.00 O ATOM 163 CB TYR A 12 5.984 3.715 -1.843 1.00 0.00 C ATOM 164 CG TYR A 12 6.452 3.412 -3.246 1.00 0.00 C ATOM 165 CD1 TYR A 12 6.296 2.125 -3.774 1.00 0.00 C ATOM 166 CD2 TYR A 12 7.043 4.419 -4.019 1.00 0.00 C ATOM 167 CE1 TYR A 12 6.731 1.845 -5.075 1.00 0.00 C ATOM 168 CE2 TYR A 12 7.477 4.139 -5.320 1.00 0.00 C ATOM 169 CZ TYR A 12 7.321 2.852 -5.848 1.00 0.00 C ATOM 170 OH TYR A 12 7.750 2.575 -7.130 1.00 0.00 O ATOM 0 H TYR A 12 4.705 6.235 -1.348 1.00 0.00 H new ATOM 0 HA TYR A 12 3.943 3.631 -2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.609 4.490 -1.400 1.00 0.00 H new ATOM 0 HB3 TYR A 12 6.084 2.829 -1.216 1.00 0.00 H new ATOM 0 HD1 TYR A 12 5.840 1.348 -3.178 1.00 0.00 H new ATOM 0 HD2 TYR A 12 7.164 5.412 -3.611 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.611 0.852 -5.482 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.932 4.916 -5.916 1.00 0.00 H new ATOM 0 HH TYR A 12 8.135 3.384 -7.528 1.00 0.00 H new ATOM 180 N ALA A 13 3.768 2.681 -0.116 1.00 0.00 N ATOM 181 CA ALA A 13 3.125 2.362 1.193 1.00 0.00 C ATOM 182 C ALA A 13 3.673 1.042 1.745 1.00 0.00 C ATOM 183 O ALA A 13 4.346 0.303 1.054 1.00 0.00 O ATOM 184 CB ALA A 13 1.634 2.239 0.880 1.00 0.00 C ATOM 0 H ALA A 13 4.115 1.874 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 13 3.321 3.124 1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.088 2.005 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.269 3.181 0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.480 1.443 0.151 1.00 0.00 H new ATOM 190 N ARG A 14 3.387 0.742 2.984 1.00 0.00 N ATOM 191 CA ARG A 14 3.889 -0.529 3.586 1.00 0.00 C ATOM 192 C ARG A 14 2.791 -1.163 4.450 1.00 0.00 C ATOM 193 O ARG A 14 2.299 -0.560 5.385 1.00 0.00 O ATOM 194 CB ARG A 14 5.091 -0.109 4.445 1.00 0.00 C ATOM 195 CG ARG A 14 5.410 -1.193 5.485 1.00 0.00 C ATOM 196 CD ARG A 14 4.737 -0.837 6.813 1.00 0.00 C ATOM 197 NE ARG A 14 5.743 -1.174 7.859 1.00 0.00 N ATOM 198 CZ ARG A 14 5.555 -0.791 9.093 1.00 0.00 C ATOM 199 NH1 ARG A 14 4.826 -1.516 9.897 1.00 0.00 N ATOM 200 NH2 ARG A 14 6.095 0.316 9.522 1.00 0.00 N ATOM 0 H ARG A 14 2.826 1.323 3.607 1.00 0.00 H new ATOM 0 HA ARG A 14 4.169 -1.270 2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.960 0.060 3.809 1.00 0.00 H new ATOM 0 HB3 ARG A 14 4.875 0.834 4.947 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.058 -2.163 5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.488 -1.275 5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.469 0.219 6.849 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.817 -1.404 6.953 1.00 0.00 H new ATOM 0 HE ARG A 14 6.579 -1.704 7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.403 -2.381 9.561 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.679 -1.217 10.861 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.664 0.883 8.893 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.948 0.615 10.486 1.00 0.00 H new ATOM 214 N ALA A 15 2.410 -2.377 4.150 1.00 0.00 N ATOM 215 CA ALA A 15 1.350 -3.055 4.953 1.00 0.00 C ATOM 216 C ALA A 15 1.712 -3.026 6.442 1.00 0.00 C ATOM 217 O ALA A 15 2.773 -3.474 6.840 1.00 0.00 O ATOM 218 CB ALA A 15 1.324 -4.495 4.442 1.00 0.00 C ATOM 0 H ALA A 15 2.789 -2.930 3.381 1.00 0.00 H new ATOM 0 HA ALA A 15 0.381 -2.566 4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.567 -5.060 4.985 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.086 -4.499 3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.300 -4.954 4.597 1.00 0.00 H new ATOM 224 N LEU A 16 0.839 -2.500 7.259 1.00 0.00 N ATOM 225 CA LEU A 16 1.119 -2.430 8.724 1.00 0.00 C ATOM 226 C LEU A 16 0.759 -3.758 9.405 1.00 0.00 C ATOM 227 O LEU A 16 1.175 -4.025 10.515 1.00 0.00 O ATOM 228 CB LEU A 16 0.226 -1.298 9.241 1.00 0.00 C ATOM 229 CG LEU A 16 1.096 -0.135 9.719 1.00 0.00 C ATOM 230 CD1 LEU A 16 0.226 1.110 9.905 1.00 0.00 C ATOM 231 CD2 LEU A 16 1.751 -0.502 11.053 1.00 0.00 C ATOM 0 H LEU A 16 -0.061 -2.114 6.974 1.00 0.00 H new ATOM 0 HA LEU A 16 2.173 -2.249 8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.446 -0.962 8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.398 -1.658 10.059 1.00 0.00 H new ATOM 0 HG LEU A 16 1.869 0.068 8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.846 1.939 10.246 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.241 1.372 8.956 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.547 0.906 10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.371 0.327 11.394 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.978 -0.706 11.794 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.371 -1.389 10.922 1.00 0.00 H new ATOM 243 N LYS A 17 -0.005 -4.591 8.747 1.00 0.00 N ATOM 244 CA LYS A 17 -0.385 -5.903 9.354 1.00 0.00 C ATOM 245 C LYS A 17 -0.942 -6.834 8.272 1.00 0.00 C ATOM 246 O LYS A 17 -1.435 -6.390 7.255 1.00 0.00 O ATOM 247 CB LYS A 17 -1.454 -5.580 10.402 1.00 0.00 C ATOM 248 CG LYS A 17 -2.604 -4.808 9.754 1.00 0.00 C ATOM 249 CD LYS A 17 -3.833 -4.859 10.662 1.00 0.00 C ATOM 250 CE LYS A 17 -3.629 -3.916 11.850 1.00 0.00 C ATOM 251 NZ LYS A 17 -4.231 -4.624 13.013 1.00 0.00 N ATOM 0 H LYS A 17 -0.383 -4.420 7.815 1.00 0.00 H new ATOM 0 HA LYS A 17 0.467 -6.411 9.806 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.829 -6.502 10.847 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.018 -4.991 11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.309 -3.773 9.582 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.841 -5.238 8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.723 -4.570 10.103 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.995 -5.877 11.016 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.571 -3.714 12.016 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.114 -2.955 11.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.130 -4.038 13.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.240 -4.797 12.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.745 -5.532 13.156 1.00 0.00 H new ATOM 265 N ASP A 18 -0.856 -8.122 8.481 1.00 0.00 N ATOM 266 CA ASP A 18 -1.369 -9.088 7.459 1.00 0.00 C ATOM 267 C ASP A 18 -2.802 -8.739 7.045 1.00 0.00 C ATOM 268 O ASP A 18 -3.609 -8.323 7.852 1.00 0.00 O ATOM 269 CB ASP A 18 -1.327 -10.457 8.140 1.00 0.00 C ATOM 270 CG ASP A 18 -2.181 -10.428 9.410 1.00 0.00 C ATOM 271 OD1 ASP A 18 -1.742 -9.834 10.382 1.00 0.00 O ATOM 272 OD2 ASP A 18 -3.259 -10.999 9.390 1.00 0.00 O ATOM 0 H ASP A 18 -0.453 -8.549 9.315 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.769 -9.065 6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.696 -11.224 7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.298 -10.719 8.388 1.00 0.00 H new ATOM 277 N TYR A 19 -3.115 -8.905 5.788 1.00 0.00 N ATOM 278 CA TYR A 19 -4.488 -8.586 5.306 1.00 0.00 C ATOM 279 C TYR A 19 -5.021 -9.729 4.435 1.00 0.00 C ATOM 280 O TYR A 19 -4.291 -10.338 3.675 1.00 0.00 O ATOM 281 CB TYR A 19 -4.315 -7.309 4.481 1.00 0.00 C ATOM 282 CG TYR A 19 -5.516 -7.096 3.592 1.00 0.00 C ATOM 283 CD1 TYR A 19 -6.779 -6.888 4.154 1.00 0.00 C ATOM 284 CD2 TYR A 19 -5.360 -7.109 2.204 1.00 0.00 C ATOM 285 CE1 TYR A 19 -7.889 -6.690 3.326 1.00 0.00 C ATOM 286 CE2 TYR A 19 -6.469 -6.911 1.371 1.00 0.00 C ATOM 287 CZ TYR A 19 -7.734 -6.701 1.934 1.00 0.00 C ATOM 288 OH TYR A 19 -8.828 -6.505 1.116 1.00 0.00 O ATOM 0 H TYR A 19 -2.475 -9.249 5.072 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.201 -8.456 6.120 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.188 -6.453 5.144 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.412 -7.379 3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.898 -6.880 5.227 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.383 -7.272 1.772 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -8.865 -6.529 3.760 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.349 -6.920 0.298 1.00 0.00 H new ATOM 0 HH TYR A 19 -8.546 -6.542 0.178 1.00 0.00 H new ATOM 298 N ASN A 20 -6.293 -10.014 4.533 1.00 0.00 N ATOM 299 CA ASN A 20 -6.886 -11.106 3.709 1.00 0.00 C ATOM 300 C ASN A 20 -7.908 -10.525 2.728 1.00 0.00 C ATOM 301 O ASN A 20 -8.864 -9.884 3.120 1.00 0.00 O ATOM 302 CB ASN A 20 -7.571 -12.035 4.712 1.00 0.00 C ATOM 303 CG ASN A 20 -8.069 -13.289 3.990 1.00 0.00 C ATOM 304 OD1 ASN A 20 -7.484 -13.715 3.014 1.00 0.00 O ATOM 305 ND2 ASN A 20 -9.133 -13.902 4.431 1.00 0.00 N ATOM 0 H ASN A 20 -6.948 -9.535 5.151 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.137 -11.632 3.117 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.874 -12.311 5.503 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.406 -11.521 5.188 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.473 -14.738 3.956 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.625 -13.545 5.250 1.00 0.00 H new ATOM 312 N VAL A 21 -7.709 -10.739 1.456 1.00 0.00 N ATOM 313 CA VAL A 21 -8.665 -10.195 0.443 1.00 0.00 C ATOM 314 C VAL A 21 -9.928 -11.050 0.374 1.00 0.00 C ATOM 315 O VAL A 21 -9.981 -12.039 -0.331 1.00 0.00 O ATOM 316 CB VAL A 21 -7.927 -10.253 -0.895 1.00 0.00 C ATOM 317 CG1 VAL A 21 -6.772 -9.245 -0.884 1.00 0.00 C ATOM 318 CG2 VAL A 21 -7.376 -11.663 -1.132 1.00 0.00 C ATOM 0 H VAL A 21 -6.926 -11.267 1.072 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.975 -9.182 0.699 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.622 -10.005 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.245 -9.285 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.167 -8.241 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.082 -9.491 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.852 -11.693 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.684 -11.923 -0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.199 -12.378 -1.147 1.00 0.00 H new ATOM 328 N SER A 22 -10.952 -10.670 1.086 1.00 0.00 N ATOM 329 CA SER A 22 -12.213 -11.456 1.043 1.00 0.00 C ATOM 330 C SER A 22 -13.267 -10.688 0.244 1.00 0.00 C ATOM 331 O SER A 22 -14.132 -10.039 0.800 1.00 0.00 O ATOM 332 CB SER A 22 -12.643 -11.606 2.500 1.00 0.00 C ATOM 333 OG SER A 22 -13.345 -12.832 2.659 1.00 0.00 O ATOM 0 H SER A 22 -10.969 -9.851 1.694 1.00 0.00 H new ATOM 0 HA SER A 22 -12.085 -12.426 0.563 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.770 -11.586 3.153 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.278 -10.770 2.792 1.00 0.00 H new ATOM 0 HG SER A 22 -13.621 -12.932 3.594 1.00 0.00 H new ATOM 339 N ASP A 23 -13.199 -10.757 -1.059 1.00 0.00 N ATOM 340 CA ASP A 23 -14.194 -10.031 -1.900 1.00 0.00 C ATOM 341 C ASP A 23 -14.185 -10.584 -3.328 1.00 0.00 C ATOM 342 O ASP A 23 -15.124 -11.222 -3.761 1.00 0.00 O ATOM 343 CB ASP A 23 -13.737 -8.570 -1.885 1.00 0.00 C ATOM 344 CG ASP A 23 -14.918 -7.665 -1.530 1.00 0.00 C ATOM 345 OD1 ASP A 23 -15.337 -7.693 -0.385 1.00 0.00 O ATOM 346 OD2 ASP A 23 -15.385 -6.960 -2.410 1.00 0.00 O ATOM 0 H ASP A 23 -12.497 -11.285 -1.577 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.211 -10.142 -1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.934 -8.437 -1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.335 -8.294 -2.860 1.00 0.00 H new ATOM 351 N THR A 24 -13.130 -10.344 -4.060 1.00 0.00 N ATOM 352 CA THR A 24 -13.060 -10.857 -5.460 1.00 0.00 C ATOM 353 C THR A 24 -11.603 -11.066 -5.878 1.00 0.00 C ATOM 354 O THR A 24 -11.175 -12.175 -6.131 1.00 0.00 O ATOM 355 CB THR A 24 -13.715 -9.769 -6.313 1.00 0.00 C ATOM 356 OG1 THR A 24 -14.969 -9.414 -5.746 1.00 0.00 O ATOM 357 CG2 THR A 24 -13.924 -10.289 -7.736 1.00 0.00 C ATOM 0 H THR A 24 -12.314 -9.816 -3.750 1.00 0.00 H new ATOM 0 HA THR A 24 -13.560 -11.819 -5.572 1.00 0.00 H new ATOM 0 HB THR A 24 -13.068 -8.892 -6.342 1.00 0.00 H new ATOM 0 HG1 THR A 24 -15.309 -10.161 -5.210 1.00 0.00 H new ATOM 0 HG21 THR A 24 -14.391 -9.513 -8.342 1.00 0.00 H new ATOM 0 HG22 THR A 24 -12.961 -10.558 -8.170 1.00 0.00 H new ATOM 0 HG23 THR A 24 -14.569 -11.167 -7.711 1.00 0.00 H new ATOM 365 N SER A 25 -10.840 -10.010 -5.951 1.00 0.00 N ATOM 366 CA SER A 25 -9.410 -10.147 -6.353 1.00 0.00 C ATOM 367 C SER A 25 -8.580 -9.022 -5.732 1.00 0.00 C ATOM 368 O SER A 25 -7.659 -8.511 -6.339 1.00 0.00 O ATOM 369 CB SER A 25 -9.414 -10.033 -7.877 1.00 0.00 C ATOM 370 OG SER A 25 -8.090 -10.210 -8.363 1.00 0.00 O ATOM 0 H SER A 25 -11.144 -9.058 -5.750 1.00 0.00 H new ATOM 0 HA SER A 25 -8.973 -11.088 -6.017 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.076 -10.784 -8.308 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.798 -9.059 -8.180 1.00 0.00 H new ATOM 0 HG SER A 25 -7.484 -9.604 -7.889 1.00 0.00 H new ATOM 376 N LEU A 26 -8.900 -8.632 -4.527 1.00 0.00 N ATOM 377 CA LEU A 26 -8.128 -7.538 -3.866 1.00 0.00 C ATOM 378 C LEU A 26 -6.657 -7.945 -3.717 1.00 0.00 C ATOM 379 O LEU A 26 -6.191 -8.857 -4.371 1.00 0.00 O ATOM 380 CB LEU A 26 -8.800 -7.324 -2.502 1.00 0.00 C ATOM 381 CG LEU A 26 -10.313 -7.118 -2.662 1.00 0.00 C ATOM 382 CD1 LEU A 26 -10.861 -6.408 -1.423 1.00 0.00 C ATOM 383 CD2 LEU A 26 -10.611 -6.266 -3.903 1.00 0.00 C ATOM 0 H LEU A 26 -9.661 -9.023 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.133 -6.617 -4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.612 -8.185 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.361 -6.457 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.789 -8.092 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.935 -6.260 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.667 -7.016 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.371 -5.441 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.688 -6.130 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.130 -5.293 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.227 -6.769 -4.790 1.00 0.00 H new ATOM 395 N LEU A 27 -5.913 -7.256 -2.890 1.00 0.00 N ATOM 396 CA LEU A 27 -4.466 -7.585 -2.739 1.00 0.00 C ATOM 397 C LEU A 27 -4.156 -8.035 -1.301 1.00 0.00 C ATOM 398 O LEU A 27 -4.171 -7.238 -0.387 1.00 0.00 O ATOM 399 CB LEU A 27 -3.748 -6.270 -3.102 1.00 0.00 C ATOM 400 CG LEU A 27 -2.505 -6.048 -2.243 1.00 0.00 C ATOM 401 CD1 LEU A 27 -1.528 -7.199 -2.465 1.00 0.00 C ATOM 402 CD2 LEU A 27 -1.849 -4.728 -2.656 1.00 0.00 C ATOM 0 H LEU A 27 -6.245 -6.482 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.145 -8.412 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.464 -6.289 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.434 -5.433 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.780 -6.008 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.639 -7.045 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.003 -8.139 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.243 -7.237 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.960 -4.558 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.567 -4.775 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.553 -3.909 -2.505 1.00 0.00 H new ATOM 414 N PRO A 28 -3.881 -9.310 -1.152 1.00 0.00 N ATOM 415 CA PRO A 28 -3.556 -9.865 0.178 1.00 0.00 C ATOM 416 C PRO A 28 -2.061 -9.695 0.463 1.00 0.00 C ATOM 417 O PRO A 28 -1.255 -9.630 -0.445 1.00 0.00 O ATOM 418 CB PRO A 28 -3.904 -11.342 0.037 1.00 0.00 C ATOM 419 CG PRO A 28 -3.785 -11.648 -1.428 1.00 0.00 C ATOM 420 CD PRO A 28 -3.856 -10.346 -2.192 1.00 0.00 C ATOM 0 HA PRO A 28 -4.090 -9.377 0.994 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.226 -11.962 0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.912 -11.543 0.399 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.844 -12.158 -1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.586 -12.317 -1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.997 -10.226 -2.852 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.747 -10.301 -2.818 1.00 0.00 H new ATOM 428 N PHE A 29 -1.682 -9.630 1.711 1.00 0.00 N ATOM 429 CA PHE A 29 -0.232 -9.475 2.040 1.00 0.00 C ATOM 430 C PHE A 29 -0.003 -9.666 3.541 1.00 0.00 C ATOM 431 O PHE A 29 -0.935 -9.724 4.318 1.00 0.00 O ATOM 432 CB PHE A 29 0.143 -8.054 1.606 1.00 0.00 C ATOM 433 CG PHE A 29 -0.793 -7.051 2.237 1.00 0.00 C ATOM 434 CD1 PHE A 29 -0.667 -6.729 3.594 1.00 0.00 C ATOM 435 CD2 PHE A 29 -1.785 -6.437 1.462 1.00 0.00 C ATOM 436 CE1 PHE A 29 -1.532 -5.793 4.175 1.00 0.00 C ATOM 437 CE2 PHE A 29 -2.648 -5.504 2.044 1.00 0.00 C ATOM 438 CZ PHE A 29 -2.522 -5.182 3.400 1.00 0.00 C ATOM 0 H PHE A 29 -2.309 -9.677 2.514 1.00 0.00 H new ATOM 0 HA PHE A 29 0.381 -10.219 1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.171 -7.836 1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.096 -7.973 0.520 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.097 -7.202 4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.883 -6.684 0.415 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.434 -5.543 5.221 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.413 -5.031 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.190 -4.461 3.848 1.00 0.00 H new ATOM 448 N LYS A 30 1.234 -9.777 3.949 1.00 0.00 N ATOM 449 CA LYS A 30 1.530 -9.979 5.398 1.00 0.00 C ATOM 450 C LYS A 30 2.023 -8.677 6.036 1.00 0.00 C ATOM 451 O LYS A 30 2.339 -7.720 5.359 1.00 0.00 O ATOM 452 CB LYS A 30 2.630 -11.040 5.428 1.00 0.00 C ATOM 453 CG LYS A 30 2.906 -11.452 6.875 1.00 0.00 C ATOM 454 CD LYS A 30 3.871 -12.642 6.897 1.00 0.00 C ATOM 455 CE LYS A 30 5.148 -12.257 7.648 1.00 0.00 C ATOM 456 NZ LYS A 30 4.747 -12.191 9.081 1.00 0.00 N ATOM 0 H LYS A 30 2.052 -9.736 3.341 1.00 0.00 H new ATOM 0 HA LYS A 30 0.646 -10.284 5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.327 -11.909 4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.539 -10.649 4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.333 -10.615 7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.973 -11.718 7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.398 -13.497 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.114 -12.945 5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.935 -12.995 7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.536 -11.299 7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.919 -11.232 9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.736 -12.419 9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.306 -12.875 9.630 1.00 0.00 H new ATOM 470 N ARG A 31 2.086 -8.642 7.341 1.00 0.00 N ATOM 471 CA ARG A 31 2.556 -7.411 8.048 1.00 0.00 C ATOM 472 C ARG A 31 3.908 -6.946 7.495 1.00 0.00 C ATOM 473 O ARG A 31 4.511 -7.600 6.669 1.00 0.00 O ATOM 474 CB ARG A 31 2.709 -7.831 9.511 1.00 0.00 C ATOM 475 CG ARG A 31 2.825 -6.591 10.398 1.00 0.00 C ATOM 476 CD ARG A 31 2.115 -6.846 11.730 1.00 0.00 C ATOM 477 NE ARG A 31 2.210 -5.557 12.469 1.00 0.00 N ATOM 478 CZ ARG A 31 2.234 -5.554 13.774 1.00 0.00 C ATOM 479 NH1 ARG A 31 3.283 -5.999 14.408 1.00 0.00 N ATOM 480 NH2 ARG A 31 1.208 -5.105 14.444 1.00 0.00 N ATOM 0 H ARG A 31 1.831 -9.417 7.952 1.00 0.00 H new ATOM 0 HA ARG A 31 1.860 -6.582 7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.852 -8.430 9.818 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.594 -8.457 9.628 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.874 -6.353 10.573 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.382 -5.730 9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.076 -7.136 11.574 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.592 -7.655 12.283 1.00 0.00 H new ATOM 0 HE ARG A 31 2.256 -4.677 11.956 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.085 -6.349 13.884 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.302 -5.997 15.428 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.388 -4.757 13.948 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.226 -5.103 15.464 1.00 0.00 H new ATOM 494 N ASN A 32 4.379 -5.817 7.967 1.00 0.00 N ATOM 495 CA ASN A 32 5.696 -5.259 7.511 1.00 0.00 C ATOM 496 C ASN A 32 5.985 -5.603 6.045 1.00 0.00 C ATOM 497 O ASN A 32 7.000 -6.192 5.725 1.00 0.00 O ATOM 498 CB ASN A 32 6.743 -5.895 8.432 1.00 0.00 C ATOM 499 CG ASN A 32 6.715 -7.418 8.281 1.00 0.00 C ATOM 500 OD1 ASN A 32 5.979 -8.128 9.091 1.00 0.00 O flip ATOM 501 ND2 ASN A 32 7.371 -7.967 7.418 1.00 0.00 N flip ATOM 0 H ASN A 32 3.898 -5.246 8.663 1.00 0.00 H new ATOM 0 HA ASN A 32 5.702 -4.170 7.566 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.735 -5.515 8.186 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.544 -5.620 9.468 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.947 -7.412 6.784 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.346 -8.983 7.327 1.00 0.00 H new ATOM 508 N ASP A 33 5.108 -5.229 5.155 1.00 0.00 N ATOM 509 CA ASP A 33 5.341 -5.522 3.713 1.00 0.00 C ATOM 510 C ASP A 33 5.236 -4.226 2.913 1.00 0.00 C ATOM 511 O ASP A 33 4.558 -3.303 3.307 1.00 0.00 O ATOM 512 CB ASP A 33 4.235 -6.498 3.314 1.00 0.00 C ATOM 513 CG ASP A 33 4.641 -7.233 2.035 1.00 0.00 C ATOM 514 OD1 ASP A 33 5.822 -7.496 1.875 1.00 0.00 O ATOM 515 OD2 ASP A 33 3.764 -7.520 1.237 1.00 0.00 O ATOM 0 H ASP A 33 4.241 -4.734 5.364 1.00 0.00 H new ATOM 0 HA ASP A 33 6.327 -5.945 3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.059 -7.214 4.117 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.300 -5.960 3.156 1.00 0.00 H new ATOM 520 N ILE A 34 5.902 -4.145 1.799 1.00 0.00 N ATOM 521 CA ILE A 34 5.835 -2.899 0.986 1.00 0.00 C ATOM 522 C ILE A 34 4.667 -2.978 -0.001 1.00 0.00 C ATOM 523 O ILE A 34 4.214 -4.048 -0.356 1.00 0.00 O ATOM 524 CB ILE A 34 7.169 -2.849 0.247 1.00 0.00 C ATOM 525 CG1 ILE A 34 8.316 -2.746 1.260 1.00 0.00 C ATOM 526 CG2 ILE A 34 7.200 -1.637 -0.689 1.00 0.00 C ATOM 527 CD1 ILE A 34 8.153 -1.479 2.107 1.00 0.00 C ATOM 0 H ILE A 34 6.489 -4.885 1.415 1.00 0.00 H new ATOM 0 HA ILE A 34 5.672 -2.008 1.593 1.00 0.00 H new ATOM 0 HB ILE A 34 7.286 -3.759 -0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.324 -3.626 1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.273 -2.724 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.155 -1.607 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.390 -1.716 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.077 -0.724 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.971 -1.413 2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.167 -0.603 1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.204 -1.519 2.642 1.00 0.00 H new ATOM 539 N ILE A 35 4.179 -1.851 -0.444 1.00 0.00 N ATOM 540 CA ILE A 35 3.040 -1.855 -1.405 1.00 0.00 C ATOM 541 C ILE A 35 3.304 -0.854 -2.533 1.00 0.00 C ATOM 542 O ILE A 35 3.200 0.343 -2.348 1.00 0.00 O ATOM 543 CB ILE A 35 1.824 -1.431 -0.578 1.00 0.00 C ATOM 544 CG1 ILE A 35 1.571 -2.470 0.519 1.00 0.00 C ATOM 545 CG2 ILE A 35 0.589 -1.335 -1.481 1.00 0.00 C ATOM 546 CD1 ILE A 35 0.453 -1.980 1.441 1.00 0.00 C ATOM 0 H ILE A 35 4.521 -0.927 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 35 2.892 -2.828 -1.873 1.00 0.00 H new ATOM 0 HB ILE A 35 2.016 -0.457 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.296 -3.425 0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.482 -2.637 1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.273 -1.033 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.767 -0.597 -2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.394 -2.306 -1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.274 -2.720 2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.746 -1.035 1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.459 -1.835 0.862 1.00 0.00 H new ATOM 558 N THR A 36 3.644 -1.336 -3.699 1.00 0.00 N ATOM 559 CA THR A 36 3.913 -0.414 -4.842 1.00 0.00 C ATOM 560 C THR A 36 2.639 0.352 -5.205 1.00 0.00 C ATOM 561 O THR A 36 1.920 -0.013 -6.115 1.00 0.00 O ATOM 562 CB THR A 36 4.344 -1.321 -5.996 1.00 0.00 C ATOM 563 OG1 THR A 36 5.376 -2.190 -5.552 1.00 0.00 O ATOM 564 CG2 THR A 36 4.859 -0.465 -7.156 1.00 0.00 C ATOM 0 H THR A 36 3.747 -2.329 -3.910 1.00 0.00 H new ATOM 0 HA THR A 36 4.676 0.327 -4.606 1.00 0.00 H new ATOM 0 HB THR A 36 3.492 -1.910 -6.333 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.652 -2.773 -6.289 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.166 -1.112 -7.978 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.067 0.202 -7.496 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.712 0.126 -6.822 1.00 0.00 H new ATOM 572 N ILE A 37 2.354 1.411 -4.496 1.00 0.00 N ATOM 573 CA ILE A 37 1.125 2.207 -4.789 1.00 0.00 C ATOM 574 C ILE A 37 1.124 2.656 -6.257 1.00 0.00 C ATOM 575 O ILE A 37 1.872 3.529 -6.650 1.00 0.00 O ATOM 576 CB ILE A 37 1.202 3.405 -3.826 1.00 0.00 C ATOM 577 CG1 ILE A 37 0.377 3.096 -2.574 1.00 0.00 C ATOM 578 CG2 ILE A 37 0.656 4.673 -4.493 1.00 0.00 C ATOM 579 CD1 ILE A 37 0.549 4.222 -1.552 1.00 0.00 C ATOM 0 H ILE A 37 2.921 1.761 -3.724 1.00 0.00 H new ATOM 0 HA ILE A 37 0.205 1.640 -4.647 1.00 0.00 H new ATOM 0 HB ILE A 37 2.245 3.574 -3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.675 2.989 -2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.696 2.148 -2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.720 5.508 -3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.244 4.898 -5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.385 4.516 -4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.040 3.999 -0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.601 4.308 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.208 5.162 -1.986 1.00 0.00 H new ATOM 591 N THR A 38 0.284 2.064 -7.064 1.00 0.00 N ATOM 592 CA THR A 38 0.229 2.455 -8.502 1.00 0.00 C ATOM 593 C THR A 38 -1.021 3.302 -8.774 1.00 0.00 C ATOM 594 O THR A 38 -1.087 4.029 -9.747 1.00 0.00 O ATOM 595 CB THR A 38 0.173 1.135 -9.274 1.00 0.00 C ATOM 596 OG1 THR A 38 0.205 1.403 -10.670 1.00 0.00 O ATOM 597 CG2 THR A 38 -1.112 0.391 -8.925 1.00 0.00 C ATOM 0 H THR A 38 -0.366 1.327 -6.789 1.00 0.00 H new ATOM 0 HA THR A 38 1.087 3.058 -8.800 1.00 0.00 H new ATOM 0 HB THR A 38 1.030 0.519 -9.002 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.171 0.559 -11.166 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.149 -0.549 -9.476 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.134 0.185 -7.855 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.972 1.004 -9.194 1.00 0.00 H new ATOM 605 N PHE A 39 -2.009 3.217 -7.922 1.00 0.00 N ATOM 606 CA PHE A 39 -3.249 4.018 -8.131 1.00 0.00 C ATOM 607 C PHE A 39 -3.906 4.335 -6.785 1.00 0.00 C ATOM 608 O PHE A 39 -4.389 3.457 -6.097 1.00 0.00 O ATOM 609 CB PHE A 39 -4.160 3.127 -8.976 1.00 0.00 C ATOM 610 CG PHE A 39 -5.295 3.952 -9.534 1.00 0.00 C ATOM 611 CD1 PHE A 39 -5.030 4.977 -10.452 1.00 0.00 C ATOM 612 CD2 PHE A 39 -6.611 3.695 -9.134 1.00 0.00 C ATOM 613 CE1 PHE A 39 -6.081 5.743 -10.968 1.00 0.00 C ATOM 614 CE2 PHE A 39 -7.662 4.461 -9.652 1.00 0.00 C ATOM 615 CZ PHE A 39 -7.397 5.485 -10.568 1.00 0.00 C ATOM 0 H PHE A 39 -2.010 2.627 -7.090 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.047 4.972 -8.619 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.592 2.674 -9.789 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.553 2.311 -8.369 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.014 5.176 -10.761 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.816 2.906 -8.426 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.877 6.533 -11.675 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.678 4.261 -9.344 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.208 6.076 -10.966 1.00 0.00 H new ATOM 625 N LYS A 40 -3.924 5.585 -6.404 1.00 0.00 N ATOM 626 CA LYS A 40 -4.547 5.962 -5.101 1.00 0.00 C ATOM 627 C LYS A 40 -6.041 6.240 -5.292 1.00 0.00 C ATOM 628 O LYS A 40 -6.566 6.135 -6.383 1.00 0.00 O ATOM 629 CB LYS A 40 -3.817 7.234 -4.666 1.00 0.00 C ATOM 630 CG LYS A 40 -2.328 6.931 -4.475 1.00 0.00 C ATOM 631 CD LYS A 40 -1.493 7.993 -5.195 1.00 0.00 C ATOM 632 CE LYS A 40 -0.234 7.346 -5.779 1.00 0.00 C ATOM 633 NZ LYS A 40 0.283 8.336 -6.764 1.00 0.00 N ATOM 0 H LYS A 40 -3.534 6.361 -6.939 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.463 5.169 -4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.947 8.014 -5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.244 7.611 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.082 6.918 -3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.094 5.942 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.079 8.454 -5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.218 8.787 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.502 7.141 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.465 6.395 -6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.147 7.965 -7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.437 8.506 -7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.500 9.229 -6.277 1.00 0.00 H new ATOM 647 N ASP A 41 -6.727 6.595 -4.238 1.00 0.00 N ATOM 648 CA ASP A 41 -8.187 6.880 -4.358 1.00 0.00 C ATOM 649 C ASP A 41 -8.500 8.279 -3.820 1.00 0.00 C ATOM 650 O ASP A 41 -7.611 9.033 -3.473 1.00 0.00 O ATOM 651 CB ASP A 41 -8.870 5.812 -3.504 1.00 0.00 C ATOM 652 CG ASP A 41 -10.230 5.464 -4.113 1.00 0.00 C ATOM 653 OD1 ASP A 41 -10.250 4.994 -5.238 1.00 0.00 O ATOM 654 OD2 ASP A 41 -11.228 5.675 -3.443 1.00 0.00 O ATOM 0 H ASP A 41 -6.340 6.700 -3.300 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.529 6.855 -5.393 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.245 4.920 -3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.998 6.174 -2.484 1.00 0.00 H new ATOM 659 N GLN A 42 -9.756 8.631 -3.749 1.00 0.00 N ATOM 660 CA GLN A 42 -10.128 9.980 -3.233 1.00 0.00 C ATOM 661 C GLN A 42 -10.982 9.852 -1.968 1.00 0.00 C ATOM 662 O GLN A 42 -11.683 10.769 -1.588 1.00 0.00 O ATOM 663 CB GLN A 42 -10.934 10.625 -4.361 1.00 0.00 C ATOM 664 CG GLN A 42 -10.630 12.124 -4.413 1.00 0.00 C ATOM 665 CD GLN A 42 -11.891 12.888 -4.820 1.00 0.00 C ATOM 666 OE1 GLN A 42 -12.261 13.857 -4.184 1.00 0.00 O ATOM 667 NE2 GLN A 42 -12.573 12.493 -5.860 1.00 0.00 N ATOM 0 H GLN A 42 -10.541 8.042 -4.026 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.254 10.573 -2.963 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.683 10.159 -5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.000 10.465 -4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.282 12.469 -3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.828 12.319 -5.126 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.264 11.681 -6.394 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.415 12.996 -6.139 1.00 0.00 H new ATOM 676 N GLU A 43 -10.929 8.723 -1.312 1.00 0.00 N ATOM 677 CA GLU A 43 -11.740 8.539 -0.072 1.00 0.00 C ATOM 678 C GLU A 43 -10.844 8.124 1.103 1.00 0.00 C ATOM 679 O GLU A 43 -11.307 7.960 2.214 1.00 0.00 O ATOM 680 CB GLU A 43 -12.730 7.423 -0.410 1.00 0.00 C ATOM 681 CG GLU A 43 -14.099 8.029 -0.725 1.00 0.00 C ATOM 682 CD GLU A 43 -15.169 6.939 -0.654 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.104 6.020 -1.454 1.00 0.00 O ATOM 684 OE2 GLU A 43 -16.035 7.041 0.198 1.00 0.00 O ATOM 0 H GLU A 43 -10.360 7.921 -1.581 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.243 9.458 0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.370 6.850 -1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.812 6.730 0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.328 8.825 -0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.089 8.480 -1.717 1.00 0.00 H new ATOM 691 N ASN A 44 -9.566 7.952 0.868 1.00 0.00 N ATOM 692 CA ASN A 44 -8.644 7.547 1.974 1.00 0.00 C ATOM 693 C ASN A 44 -9.177 6.297 2.683 1.00 0.00 C ATOM 694 O ASN A 44 -8.961 6.103 3.864 1.00 0.00 O ATOM 695 CB ASN A 44 -8.618 8.741 2.933 1.00 0.00 C ATOM 696 CG ASN A 44 -7.182 9.247 3.087 1.00 0.00 C ATOM 697 OD1 ASN A 44 -6.275 8.474 3.322 1.00 0.00 O ATOM 698 ND2 ASN A 44 -6.936 10.523 2.961 1.00 0.00 N ATOM 0 H ASN A 44 -9.122 8.075 -0.042 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.648 7.300 1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.256 9.539 2.553 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.017 8.449 3.904 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.982 10.871 3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.698 11.172 2.764 1.00 0.00 H new ATOM 705 N LYS A 45 -9.871 5.451 1.971 1.00 0.00 N ATOM 706 CA LYS A 45 -10.420 4.213 2.601 1.00 0.00 C ATOM 707 C LYS A 45 -9.947 2.973 1.837 1.00 0.00 C ATOM 708 O LYS A 45 -9.650 1.950 2.423 1.00 0.00 O ATOM 709 CB LYS A 45 -11.938 4.359 2.501 1.00 0.00 C ATOM 710 CG LYS A 45 -12.438 5.279 3.616 1.00 0.00 C ATOM 711 CD LYS A 45 -12.451 4.516 4.942 1.00 0.00 C ATOM 712 CE LYS A 45 -12.750 5.484 6.088 1.00 0.00 C ATOM 713 NZ LYS A 45 -11.441 6.119 6.406 1.00 0.00 N ATOM 0 H LYS A 45 -10.082 5.563 0.979 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.089 4.093 3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.211 4.768 1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.414 3.382 2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.794 6.155 3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.440 5.640 3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.204 3.728 4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.488 4.031 5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.489 6.229 5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.155 4.959 6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.107 5.781 7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.746 5.868 5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.555 7.152 6.436 1.00 0.00 H new ATOM 727 N TRP A 46 -9.876 3.056 0.535 1.00 0.00 N ATOM 728 CA TRP A 46 -9.424 1.879 -0.264 1.00 0.00 C ATOM 729 C TRP A 46 -8.255 2.274 -1.173 1.00 0.00 C ATOM 730 O TRP A 46 -8.144 3.406 -1.600 1.00 0.00 O ATOM 731 CB TRP A 46 -10.640 1.478 -1.100 1.00 0.00 C ATOM 732 CG TRP A 46 -11.602 0.716 -0.247 1.00 0.00 C ATOM 733 CD1 TRP A 46 -12.717 1.232 0.318 1.00 0.00 C ATOM 734 CD2 TRP A 46 -11.555 -0.686 0.148 1.00 0.00 C ATOM 735 NE1 TRP A 46 -13.357 0.238 1.034 1.00 0.00 N ATOM 736 CE2 TRP A 46 -12.680 -0.963 0.959 1.00 0.00 C ATOM 737 CE3 TRP A 46 -10.653 -1.733 -0.117 1.00 0.00 C ATOM 738 CZ2 TRP A 46 -12.903 -2.235 1.489 1.00 0.00 C ATOM 739 CZ3 TRP A 46 -10.875 -3.014 0.415 1.00 0.00 C ATOM 740 CH2 TRP A 46 -11.998 -3.264 1.217 1.00 0.00 C ATOM 0 H TRP A 46 -10.111 3.886 -0.009 1.00 0.00 H new ATOM 0 HA TRP A 46 -9.074 1.061 0.366 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -11.123 2.366 -1.508 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -10.327 0.868 -1.947 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -13.053 2.254 0.225 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -14.224 0.375 1.554 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.785 -1.551 -0.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -13.770 -2.422 2.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -10.177 -3.811 0.205 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -12.163 -4.251 1.624 1.00 0.00 H new ATOM 751 N PHE A 47 -7.385 1.345 -1.469 1.00 0.00 N ATOM 752 CA PHE A 47 -6.222 1.660 -2.349 1.00 0.00 C ATOM 753 C PHE A 47 -6.034 0.558 -3.393 1.00 0.00 C ATOM 754 O PHE A 47 -6.635 -0.496 -3.313 1.00 0.00 O ATOM 755 CB PHE A 47 -5.013 1.699 -1.417 1.00 0.00 C ATOM 756 CG PHE A 47 -4.749 3.117 -0.975 1.00 0.00 C ATOM 757 CD1 PHE A 47 -4.021 3.983 -1.799 1.00 0.00 C ATOM 758 CD2 PHE A 47 -5.226 3.561 0.261 1.00 0.00 C ATOM 759 CE1 PHE A 47 -3.772 5.297 -1.385 1.00 0.00 C ATOM 760 CE2 PHE A 47 -4.978 4.875 0.676 1.00 0.00 C ATOM 761 CZ PHE A 47 -4.251 5.743 -0.147 1.00 0.00 C ATOM 0 H PHE A 47 -7.430 0.381 -1.139 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.362 2.599 -2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.192 1.066 -0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.137 1.299 -1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.652 3.638 -2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.786 2.891 0.896 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.211 5.966 -2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.348 5.219 1.631 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.059 6.757 0.173 1.00 0.00 H new ATOM 771 N MET A 48 -5.194 0.793 -4.365 1.00 0.00 N ATOM 772 CA MET A 48 -4.944 -0.233 -5.414 1.00 0.00 C ATOM 773 C MET A 48 -3.464 -0.214 -5.799 1.00 0.00 C ATOM 774 O MET A 48 -2.999 0.706 -6.442 1.00 0.00 O ATOM 775 CB MET A 48 -5.813 0.191 -6.597 1.00 0.00 C ATOM 776 CG MET A 48 -5.662 -0.827 -7.728 1.00 0.00 C ATOM 777 SD MET A 48 -7.247 -1.032 -8.578 1.00 0.00 S ATOM 778 CE MET A 48 -6.702 -2.272 -9.777 1.00 0.00 C ATOM 0 H MET A 48 -4.667 1.659 -4.477 1.00 0.00 H new ATOM 0 HA MET A 48 -5.182 -1.244 -5.082 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.857 0.258 -6.290 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.518 1.182 -6.943 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.901 -0.492 -8.433 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.327 -1.784 -7.327 1.00 0.00 H new ATOM 0 HE1 MET A 48 -7.538 -2.550 -10.419 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.898 -1.860 -10.387 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.341 -3.155 -9.249 1.00 0.00 H new ATOM 788 N GLY A 49 -2.718 -1.210 -5.404 1.00 0.00 N ATOM 789 CA GLY A 49 -1.267 -1.227 -5.744 1.00 0.00 C ATOM 790 C GLY A 49 -0.806 -2.659 -6.010 1.00 0.00 C ATOM 791 O GLY A 49 -1.581 -3.515 -6.390 1.00 0.00 O ATOM 0 H GLY A 49 -3.049 -2.009 -4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.084 -0.609 -6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.689 -0.797 -4.926 1.00 0.00 H new ATOM 795 N GLN A 50 0.460 -2.920 -5.817 1.00 0.00 N ATOM 796 CA GLN A 50 0.994 -4.291 -6.062 1.00 0.00 C ATOM 797 C GLN A 50 2.261 -4.517 -5.230 1.00 0.00 C ATOM 798 O GLN A 50 2.792 -3.599 -4.636 1.00 0.00 O ATOM 799 CB GLN A 50 1.346 -4.309 -7.550 1.00 0.00 C ATOM 800 CG GLN A 50 0.111 -4.662 -8.376 1.00 0.00 C ATOM 801 CD GLN A 50 0.545 -5.436 -9.622 1.00 0.00 C ATOM 802 OE1 GLN A 50 0.179 -5.088 -10.727 1.00 0.00 O ATOM 803 NE2 GLN A 50 1.320 -6.478 -9.489 1.00 0.00 N ATOM 0 H GLN A 50 1.150 -2.239 -5.499 1.00 0.00 H new ATOM 0 HA GLN A 50 0.279 -5.068 -5.790 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.730 -3.335 -7.853 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.137 -5.035 -7.736 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.579 -5.262 -7.783 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.421 -3.755 -8.663 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.627 -6.770 -8.561 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.618 -7.000 -10.313 1.00 0.00 H new ATOM 812 N LEU A 51 2.759 -5.726 -5.197 1.00 0.00 N ATOM 813 CA LEU A 51 4.005 -6.008 -4.420 1.00 0.00 C ATOM 814 C LEU A 51 4.468 -7.457 -4.648 1.00 0.00 C ATOM 815 O LEU A 51 4.273 -8.017 -5.707 1.00 0.00 O ATOM 816 CB LEU A 51 3.654 -5.748 -2.943 1.00 0.00 C ATOM 817 CG LEU A 51 2.799 -6.884 -2.377 1.00 0.00 C ATOM 818 CD1 LEU A 51 2.407 -6.555 -0.938 1.00 0.00 C ATOM 819 CD2 LEU A 51 1.542 -7.035 -3.222 1.00 0.00 C ATOM 0 H LEU A 51 2.356 -6.532 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 51 4.832 -5.372 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.569 -5.651 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.117 -4.804 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 51 3.367 -7.814 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.798 -7.363 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.306 -6.440 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.837 -5.626 -0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.930 -7.843 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.974 -6.105 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.820 -7.265 -4.250 1.00 0.00 H new ATOM 831 N ASN A 52 5.093 -8.051 -3.662 1.00 0.00 N ATOM 832 CA ASN A 52 5.597 -9.457 -3.794 1.00 0.00 C ATOM 833 C ASN A 52 4.590 -10.372 -4.517 1.00 0.00 C ATOM 834 O ASN A 52 3.719 -10.960 -3.908 1.00 0.00 O ATOM 835 CB ASN A 52 5.807 -9.920 -2.347 1.00 0.00 C ATOM 836 CG ASN A 52 6.011 -11.437 -2.302 1.00 0.00 C ATOM 837 OD1 ASN A 52 4.992 -12.207 -2.035 1.00 0.00 O flip ATOM 838 ND2 ASN A 52 7.104 -11.922 -2.511 1.00 0.00 N flip ATOM 0 H ASN A 52 5.279 -7.617 -2.758 1.00 0.00 H new ATOM 0 HA ASN A 52 6.506 -9.502 -4.393 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.673 -9.416 -1.918 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.945 -9.643 -1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.899 -11.318 -2.719 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.228 -12.934 -2.478 1.00 0.00 H new ATOM 845 N GLY A 53 4.741 -10.515 -5.809 1.00 0.00 N ATOM 846 CA GLY A 53 3.843 -11.412 -6.604 1.00 0.00 C ATOM 847 C GLY A 53 2.363 -11.218 -6.244 1.00 0.00 C ATOM 848 O GLY A 53 1.561 -12.114 -6.425 1.00 0.00 O ATOM 0 H GLY A 53 5.459 -10.041 -6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.985 -11.216 -7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.124 -12.451 -6.431 1.00 0.00 H new ATOM 852 N LYS A 54 1.983 -10.071 -5.751 1.00 0.00 N ATOM 853 CA LYS A 54 0.546 -9.858 -5.407 1.00 0.00 C ATOM 854 C LYS A 54 0.022 -8.586 -6.075 1.00 0.00 C ATOM 855 O LYS A 54 0.783 -7.746 -6.517 1.00 0.00 O ATOM 856 CB LYS A 54 0.513 -9.722 -3.886 1.00 0.00 C ATOM 857 CG LYS A 54 -0.070 -10.994 -3.264 1.00 0.00 C ATOM 858 CD LYS A 54 0.730 -12.215 -3.724 1.00 0.00 C ATOM 859 CE LYS A 54 0.723 -13.275 -2.620 1.00 0.00 C ATOM 860 NZ LYS A 54 1.090 -14.545 -3.305 1.00 0.00 N ATOM 0 H LYS A 54 2.598 -9.277 -5.572 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.084 -10.677 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.520 -9.548 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.089 -8.859 -3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.046 -10.921 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.115 -11.104 -3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.298 -12.623 -4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.754 -11.925 -3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.436 -13.030 -1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.258 -13.349 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.106 -15.321 -2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.390 -14.756 -4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.031 -14.447 -3.737 1.00 0.00 H new ATOM 874 N GLU A 55 -1.274 -8.441 -6.156 1.00 0.00 N ATOM 875 CA GLU A 55 -1.853 -7.229 -6.800 1.00 0.00 C ATOM 876 C GLU A 55 -3.345 -7.121 -6.472 1.00 0.00 C ATOM 877 O GLU A 55 -4.034 -8.116 -6.355 1.00 0.00 O ATOM 878 CB GLU A 55 -1.643 -7.453 -8.301 1.00 0.00 C ATOM 879 CG GLU A 55 -2.461 -6.436 -9.103 1.00 0.00 C ATOM 880 CD GLU A 55 -2.127 -6.568 -10.591 1.00 0.00 C ATOM 881 OE1 GLU A 55 -1.809 -7.668 -11.012 1.00 0.00 O ATOM 882 OE2 GLU A 55 -2.196 -5.567 -11.283 1.00 0.00 O ATOM 0 H GLU A 55 -1.957 -9.112 -5.803 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.388 -6.306 -6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.586 -7.356 -8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.942 -8.466 -8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.526 -6.603 -8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.242 -5.425 -8.759 1.00 0.00 H new ATOM 889 N GLY A 56 -3.850 -5.924 -6.330 1.00 0.00 N ATOM 890 CA GLY A 56 -5.296 -5.770 -6.019 1.00 0.00 C ATOM 891 C GLY A 56 -5.536 -4.524 -5.160 1.00 0.00 C ATOM 892 O GLY A 56 -5.030 -3.455 -5.437 1.00 0.00 O ATOM 0 H GLY A 56 -3.326 -5.053 -6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.866 -5.695 -6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.656 -6.655 -5.494 1.00 0.00 H new ATOM 896 N SER A 57 -6.337 -4.659 -4.136 1.00 0.00 N ATOM 897 CA SER A 57 -6.663 -3.496 -3.264 1.00 0.00 C ATOM 898 C SER A 57 -6.338 -3.776 -1.793 1.00 0.00 C ATOM 899 O SER A 57 -5.906 -4.851 -1.427 1.00 0.00 O ATOM 900 CB SER A 57 -8.169 -3.352 -3.412 1.00 0.00 C ATOM 901 OG SER A 57 -8.490 -3.102 -4.775 1.00 0.00 O ATOM 0 H SER A 57 -6.783 -5.535 -3.865 1.00 0.00 H new ATOM 0 HA SER A 57 -6.093 -2.611 -3.546 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.667 -4.259 -3.071 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.530 -2.536 -2.787 1.00 0.00 H new ATOM 0 HG SER A 57 -9.461 -3.011 -4.871 1.00 0.00 H new ATOM 907 N PHE A 58 -6.585 -2.807 -0.948 1.00 0.00 N ATOM 908 CA PHE A 58 -6.343 -2.981 0.516 1.00 0.00 C ATOM 909 C PHE A 58 -6.767 -1.707 1.266 1.00 0.00 C ATOM 910 O PHE A 58 -6.439 -0.612 0.855 1.00 0.00 O ATOM 911 CB PHE A 58 -4.846 -3.254 0.679 1.00 0.00 C ATOM 912 CG PHE A 58 -4.037 -2.219 -0.038 1.00 0.00 C ATOM 913 CD1 PHE A 58 -3.732 -1.012 0.594 1.00 0.00 C ATOM 914 CD2 PHE A 58 -3.576 -2.476 -1.331 1.00 0.00 C ATOM 915 CE1 PHE A 58 -2.964 -0.057 -0.071 1.00 0.00 C ATOM 916 CE2 PHE A 58 -2.805 -1.524 -1.994 1.00 0.00 C ATOM 917 CZ PHE A 58 -2.501 -0.317 -1.364 1.00 0.00 C ATOM 0 H PHE A 58 -6.948 -1.892 -1.214 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.924 -3.805 0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.585 -3.257 1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.607 -4.243 0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.090 -0.819 1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.817 -3.411 -1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.728 0.880 0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.444 -1.720 -2.993 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.904 0.421 -1.879 1.00 0.00 H new ATOM 927 N PRO A 59 -7.512 -1.893 2.333 1.00 0.00 N ATOM 928 CA PRO A 59 -8.018 -0.741 3.134 1.00 0.00 C ATOM 929 C PRO A 59 -6.893 0.029 3.835 1.00 0.00 C ATOM 930 O PRO A 59 -5.868 -0.516 4.198 1.00 0.00 O ATOM 931 CB PRO A 59 -8.941 -1.397 4.159 1.00 0.00 C ATOM 932 CG PRO A 59 -8.451 -2.802 4.267 1.00 0.00 C ATOM 933 CD PRO A 59 -7.950 -3.178 2.900 1.00 0.00 C ATOM 0 HA PRO A 59 -8.515 0.000 2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.892 -0.886 5.120 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.981 -1.364 3.833 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.656 -2.881 5.008 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.251 -3.470 4.586 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -7.130 -3.893 2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -8.733 -3.637 2.297 1.00 0.00 H new ATOM 941 N VAL A 60 -7.105 1.305 4.042 1.00 0.00 N ATOM 942 CA VAL A 60 -6.082 2.149 4.730 1.00 0.00 C ATOM 943 C VAL A 60 -5.935 1.727 6.198 1.00 0.00 C ATOM 944 O VAL A 60 -5.059 2.194 6.899 1.00 0.00 O ATOM 945 CB VAL A 60 -6.629 3.576 4.651 1.00 0.00 C ATOM 946 CG1 VAL A 60 -5.638 4.542 5.303 1.00 0.00 C ATOM 947 CG2 VAL A 60 -6.827 3.965 3.187 1.00 0.00 C ATOM 0 H VAL A 60 -7.951 1.801 3.761 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.099 2.053 4.268 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.584 3.627 5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.029 5.558 5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.495 4.266 6.348 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.683 4.491 4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.217 4.981 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.872 3.913 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.534 3.279 2.721 1.00 0.00 H new ATOM 957 N ASP A 61 -6.792 0.859 6.670 1.00 0.00 N ATOM 958 CA ASP A 61 -6.710 0.424 8.092 1.00 0.00 C ATOM 959 C ASP A 61 -5.393 -0.307 8.370 1.00 0.00 C ATOM 960 O ASP A 61 -5.040 -0.534 9.510 1.00 0.00 O ATOM 961 CB ASP A 61 -7.894 -0.524 8.286 1.00 0.00 C ATOM 962 CG ASP A 61 -8.308 -0.527 9.759 1.00 0.00 C ATOM 963 OD1 ASP A 61 -7.429 -0.606 10.601 1.00 0.00 O ATOM 964 OD2 ASP A 61 -9.497 -0.453 10.021 1.00 0.00 O ATOM 0 H ASP A 61 -7.545 0.433 6.130 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.742 1.274 8.774 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.731 -0.210 7.662 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.622 -1.532 7.971 1.00 0.00 H new ATOM 969 N HIS A 62 -4.662 -0.687 7.351 1.00 0.00 N ATOM 970 CA HIS A 62 -3.379 -1.410 7.618 1.00 0.00 C ATOM 971 C HIS A 62 -2.322 -1.153 6.535 1.00 0.00 C ATOM 972 O HIS A 62 -1.752 -2.076 5.986 1.00 0.00 O ATOM 973 CB HIS A 62 -3.754 -2.892 7.670 1.00 0.00 C ATOM 974 CG HIS A 62 -4.479 -3.310 6.418 1.00 0.00 C ATOM 975 ND1 HIS A 62 -4.572 -2.501 5.296 1.00 0.00 N ATOM 976 CD2 HIS A 62 -5.143 -4.467 6.100 1.00 0.00 C ATOM 977 CE1 HIS A 62 -5.267 -3.181 4.366 1.00 0.00 C ATOM 978 NE2 HIS A 62 -5.640 -4.383 4.805 1.00 0.00 N ATOM 0 H HIS A 62 -4.890 -0.533 6.369 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.927 -1.062 8.547 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.854 -3.494 7.791 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.384 -3.081 8.539 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -5.262 -5.316 6.757 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -5.495 -2.799 3.382 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.175 -5.089 4.299 1.00 0.00 H new ATOM 986 N VAL A 63 -2.030 0.089 6.251 1.00 0.00 N ATOM 987 CA VAL A 63 -0.979 0.405 5.232 1.00 0.00 C ATOM 988 C VAL A 63 -0.418 1.802 5.485 1.00 0.00 C ATOM 989 O VAL A 63 -1.153 2.762 5.605 1.00 0.00 O ATOM 990 CB VAL A 63 -1.660 0.368 3.861 1.00 0.00 C ATOM 991 CG1 VAL A 63 -1.990 -1.074 3.474 1.00 0.00 C ATOM 992 CG2 VAL A 63 -2.942 1.198 3.901 1.00 0.00 C ATOM 0 H VAL A 63 -2.473 0.901 6.680 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.159 -0.311 5.284 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.981 0.786 3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.474 -1.087 2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.071 -1.659 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.661 -1.506 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.424 1.170 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.618 0.788 4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.700 2.230 4.156 1.00 0.00 H new ATOM 1002 N GLU A 64 0.875 1.929 5.553 1.00 0.00 N ATOM 1003 CA GLU A 64 1.474 3.271 5.779 1.00 0.00 C ATOM 1004 C GLU A 64 1.827 3.897 4.432 1.00 0.00 C ATOM 1005 O GLU A 64 1.676 3.275 3.398 1.00 0.00 O ATOM 1006 CB GLU A 64 2.731 3.021 6.611 1.00 0.00 C ATOM 1007 CG GLU A 64 3.165 4.326 7.287 1.00 0.00 C ATOM 1008 CD GLU A 64 4.460 4.831 6.647 1.00 0.00 C ATOM 1009 OE1 GLU A 64 5.451 4.124 6.728 1.00 0.00 O ATOM 1010 OE2 GLU A 64 4.439 5.915 6.089 1.00 0.00 O ATOM 0 H GLU A 64 1.543 1.163 5.462 1.00 0.00 H new ATOM 0 HA GLU A 64 0.796 3.955 6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.536 2.257 7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.532 2.645 5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.381 5.077 7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.315 4.162 8.354 1.00 0.00 H new ATOM 1017 N ILE A 65 2.281 5.119 4.422 1.00 0.00 N ATOM 1018 CA ILE A 65 2.623 5.766 3.121 1.00 0.00 C ATOM 1019 C ILE A 65 4.084 6.215 3.115 1.00 0.00 C ATOM 1020 O ILE A 65 4.487 7.066 3.884 1.00 0.00 O ATOM 1021 CB ILE A 65 1.692 6.980 2.998 1.00 0.00 C ATOM 1022 CG1 ILE A 65 0.314 6.666 3.603 1.00 0.00 C ATOM 1023 CG2 ILE A 65 1.523 7.332 1.520 1.00 0.00 C ATOM 1024 CD1 ILE A 65 -0.264 5.399 2.964 1.00 0.00 C ATOM 0 H ILE A 65 2.430 5.695 5.250 1.00 0.00 H new ATOM 0 HA ILE A 65 2.496 5.076 2.287 1.00 0.00 H new ATOM 0 HB ILE A 65 2.131 7.819 3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.403 6.531 4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.363 7.505 3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.863 8.194 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.495 7.570 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.090 6.483 0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.240 5.185 3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.371 5.549 1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.407 4.560 3.148 1.00 0.00 H new ATOM 1036 N LEU A 66 4.878 5.653 2.244 1.00 0.00 N ATOM 1037 CA LEU A 66 6.312 6.049 2.175 1.00 0.00 C ATOM 1038 C LEU A 66 6.472 7.252 1.243 1.00 0.00 C ATOM 1039 O LEU A 66 6.573 7.109 0.039 1.00 0.00 O ATOM 1040 CB LEU A 66 7.036 4.827 1.608 1.00 0.00 C ATOM 1041 CG LEU A 66 6.857 3.641 2.560 1.00 0.00 C ATOM 1042 CD1 LEU A 66 7.150 2.338 1.815 1.00 0.00 C ATOM 1043 CD2 LEU A 66 7.827 3.782 3.736 1.00 0.00 C ATOM 0 H LEU A 66 4.594 4.936 1.577 1.00 0.00 H new ATOM 0 HA LEU A 66 6.713 6.339 3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.639 4.580 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.096 5.046 1.478 1.00 0.00 H new ATOM 0 HG LEU A 66 5.832 3.625 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.022 1.494 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.462 2.236 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.175 2.353 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.701 2.939 4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.851 3.798 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.621 4.710 4.269 1.00 0.00 H new ATOM 1055 N LEU A 67 6.487 8.438 1.792 1.00 0.00 N ATOM 1056 CA LEU A 67 6.634 9.657 0.942 1.00 0.00 C ATOM 1057 C LEU A 67 8.114 9.936 0.649 1.00 0.00 C ATOM 1058 O LEU A 67 8.450 10.890 -0.024 1.00 0.00 O ATOM 1059 CB LEU A 67 6.030 10.792 1.772 1.00 0.00 C ATOM 1060 CG LEU A 67 4.642 11.141 1.231 1.00 0.00 C ATOM 1061 CD1 LEU A 67 3.799 11.758 2.348 1.00 0.00 C ATOM 1062 CD2 LEU A 67 4.781 12.145 0.085 1.00 0.00 C ATOM 0 H LEU A 67 6.404 8.616 2.793 1.00 0.00 H new ATOM 0 HA LEU A 67 6.140 9.545 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.959 10.493 2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.677 11.668 1.734 1.00 0.00 H new ATOM 0 HG LEU A 67 4.156 10.236 0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.810 12.007 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.701 11.044 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.284 12.663 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.793 12.395 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.267 13.050 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.382 11.707 -0.712 1.00 0.00 H new ATOM 1074 N SER A 68 8.999 9.113 1.149 1.00 0.00 N ATOM 1075 CA SER A 68 10.455 9.335 0.899 1.00 0.00 C ATOM 1076 C SER A 68 10.795 9.071 -0.574 1.00 0.00 C ATOM 1077 O SER A 68 11.876 9.383 -1.032 1.00 0.00 O ATOM 1078 CB SER A 68 11.170 8.332 1.802 1.00 0.00 C ATOM 1079 OG SER A 68 10.681 7.025 1.530 1.00 0.00 O ATOM 0 H SER A 68 8.777 8.297 1.719 1.00 0.00 H new ATOM 0 HA SER A 68 10.754 10.362 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.246 8.373 1.631 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.004 8.585 2.849 1.00 0.00 H new ATOM 0 HG SER A 68 11.139 6.378 2.106 1.00 0.00 H new ATOM 1085 N ASP A 69 9.883 8.498 -1.318 1.00 0.00 N ATOM 1086 CA ASP A 69 10.154 8.212 -2.761 1.00 0.00 C ATOM 1087 C ASP A 69 11.382 7.307 -2.903 1.00 0.00 C ATOM 1088 O ASP A 69 12.051 7.308 -3.918 1.00 0.00 O ATOM 1089 CB ASP A 69 10.414 9.577 -3.405 1.00 0.00 C ATOM 1090 CG ASP A 69 9.734 9.635 -4.774 1.00 0.00 C ATOM 1091 OD1 ASP A 69 10.048 8.800 -5.605 1.00 0.00 O ATOM 1092 OD2 ASP A 69 8.910 10.515 -4.968 1.00 0.00 O ATOM 0 H ASP A 69 8.960 8.215 -0.988 1.00 0.00 H new ATOM 0 HA ASP A 69 9.321 7.694 -3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.032 10.372 -2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.486 9.742 -3.513 1.00 0.00 H new ATOM 1097 N VAL A 70 11.678 6.531 -1.895 1.00 0.00 N ATOM 1098 CA VAL A 70 12.859 5.621 -1.969 1.00 0.00 C ATOM 1099 C VAL A 70 12.406 4.164 -1.804 1.00 0.00 C ATOM 1100 O VAL A 70 11.606 3.865 -0.940 1.00 0.00 O ATOM 1101 CB VAL A 70 13.761 6.042 -0.806 1.00 0.00 C ATOM 1102 CG1 VAL A 70 15.019 5.169 -0.787 1.00 0.00 C ATOM 1103 CG2 VAL A 70 14.164 7.511 -0.975 1.00 0.00 C ATOM 0 H VAL A 70 11.152 6.488 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 70 13.378 5.689 -2.925 1.00 0.00 H new ATOM 0 HB VAL A 70 13.219 5.918 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.659 5.471 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.735 4.124 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.560 5.290 -1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.806 7.810 -0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 70 14.703 7.635 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.270 8.135 -0.984 1.00 0.00 H new ATOM 1113 N PRO A 71 12.929 3.299 -2.639 1.00 0.00 N ATOM 1114 CA PRO A 71 12.559 1.863 -2.572 1.00 0.00 C ATOM 1115 C PRO A 71 13.217 1.195 -1.356 1.00 0.00 C ATOM 1116 O PRO A 71 14.423 1.052 -1.310 1.00 0.00 O ATOM 1117 CB PRO A 71 13.119 1.288 -3.871 1.00 0.00 C ATOM 1118 CG PRO A 71 14.237 2.204 -4.254 1.00 0.00 C ATOM 1119 CD PRO A 71 13.900 3.569 -3.710 1.00 0.00 C ATOM 0 HA PRO A 71 11.486 1.703 -2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.476 0.268 -3.729 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.355 1.252 -4.648 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.183 1.849 -3.844 1.00 0.00 H new ATOM 0 HG3 PRO A 71 14.352 2.239 -5.337 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.786 4.075 -3.326 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.475 4.211 -4.481 1.00 0.00 H new ATOM 1127 N PRO A 72 12.402 0.802 -0.405 1.00 0.00 N ATOM 1128 CA PRO A 72 12.930 0.143 0.814 1.00 0.00 C ATOM 1129 C PRO A 72 13.343 -1.300 0.504 1.00 0.00 C ATOM 1130 O PRO A 72 12.866 -1.888 -0.446 1.00 0.00 O ATOM 1131 CB PRO A 72 11.749 0.173 1.779 1.00 0.00 C ATOM 1132 CG PRO A 72 10.535 0.244 0.908 1.00 0.00 C ATOM 1133 CD PRO A 72 10.939 0.931 -0.372 1.00 0.00 C ATOM 0 HA PRO A 72 13.816 0.634 1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.731 -0.717 2.408 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.807 1.033 2.446 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.151 -0.755 0.703 1.00 0.00 H new ATOM 0 HG3 PRO A 72 9.738 0.796 1.405 1.00 0.00 H new ATOM 0 HD2 PRO A 72 10.478 0.459 -1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 72 10.631 1.977 -0.377 1.00 0.00 H new ATOM 1141 N PRO A 73 14.220 -1.829 1.321 1.00 0.00 N ATOM 1142 CA PRO A 73 14.694 -3.221 1.124 1.00 0.00 C ATOM 1143 C PRO A 73 13.601 -4.215 1.523 1.00 0.00 C ATOM 1144 O PRO A 73 13.331 -4.418 2.691 1.00 0.00 O ATOM 1145 CB PRO A 73 15.894 -3.327 2.061 1.00 0.00 C ATOM 1146 CG PRO A 73 15.653 -2.297 3.119 1.00 0.00 C ATOM 1147 CD PRO A 73 14.846 -1.192 2.487 1.00 0.00 C ATOM 0 HA PRO A 73 14.948 -3.446 0.088 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.971 -4.325 2.492 1.00 0.00 H new ATOM 0 HB3 PRO A 73 16.827 -3.137 1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.117 -2.730 3.963 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.597 -1.912 3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.098 -0.800 3.176 1.00 0.00 H new ATOM 0 HD3 PRO A 73 15.478 -0.355 2.192 1.00 0.00 H new ATOM 1155 N GLN A 74 12.968 -4.835 0.562 1.00 0.00 N ATOM 1156 CA GLN A 74 11.890 -5.815 0.886 1.00 0.00 C ATOM 1157 C GLN A 74 12.499 -7.185 1.215 1.00 0.00 C ATOM 1158 O GLN A 74 13.475 -7.585 0.612 1.00 0.00 O ATOM 1159 CB GLN A 74 11.034 -5.898 -0.381 1.00 0.00 C ATOM 1160 CG GLN A 74 9.641 -5.329 -0.099 1.00 0.00 C ATOM 1161 CD GLN A 74 8.593 -6.141 -0.864 1.00 0.00 C ATOM 1162 OE1 GLN A 74 8.032 -5.671 -1.834 1.00 0.00 O ATOM 1163 NE2 GLN A 74 8.303 -7.348 -0.465 1.00 0.00 N ATOM 0 H GLN A 74 13.151 -4.705 -0.433 1.00 0.00 H new ATOM 0 HA GLN A 74 11.304 -5.512 1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.508 -5.341 -1.189 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.955 -6.934 -0.711 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.433 -5.362 0.970 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.596 -4.282 -0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.774 -7.743 0.349 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.605 -7.897 -0.967 1.00 0.00 H new