USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 678 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 93 LYS NZ :NH3+ 169:sc= 0.818 (180deg=0) USER MOD Set 1.2: A 97 GLN : amide:sc= -15.7! C(o=-15!,f=-28!) USER MOD Set 2.1: A 64 GLN :FLIP amide:sc= -0.019 F(o=-24,f=-22) USER MOD Set 2.2: A 78 HIS : no HD1:sc= -22.3! C(o=-22!,f=-27!) USER MOD Set 3.1: A 66 GLN : amide:sc= -0.754 K(o=-8.1,f=-11) USER MOD Set 3.2: A 76 ASN : amide:sc= -7.36! C(o=-8.1!,f=-16!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -22.7! C(o=-23!,f=-23!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -2.7! C(o=-2.7!,f=-7.2!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -136:sc= -7.86! (180deg=-16.1!) USER MOD Single : A 42 THR OG1 : rot -170:sc= 0 USER MOD Single : A 44 SER OG : rot -21:sc= 0.623 USER MOD Single : A 45 HIS :FLIP no HD1:sc= -17.3! C(o=-21!,f=-17!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 111:sc= -3.86! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 64:sc= -2.3! USER MOD Single : A 53 GLN : amide:sc= -3.78! C(o=-3.8!,f=-5.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -4.99! C(o=-5!,f=-5.5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -170:sc= -0.65 USER MOD Single : A 87 LYS NZ :NH3+ -143:sc= -0.249 (180deg=-1.4!) USER MOD Single : A 98 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.061) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N VAL A 8 -8.344 -5.835 -7.949 1.00 0.00 N ATOM 97 CA VAL A 8 -7.175 -5.293 -7.296 1.00 0.00 C ATOM 98 C VAL A 8 -6.402 -4.436 -8.294 1.00 0.00 C ATOM 99 O VAL A 8 -6.546 -4.567 -9.494 1.00 0.00 O ATOM 100 CB VAL A 8 -6.294 -6.437 -6.772 1.00 0.00 C ATOM 101 CG1 VAL A 8 -7.181 -7.535 -6.181 1.00 0.00 C ATOM 102 CG2 VAL A 8 -5.460 -7.028 -7.914 1.00 0.00 C ATOM 0 HA VAL A 8 -7.475 -4.675 -6.449 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.627 -6.044 -6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.556 -8.347 -5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.769 -7.125 -5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.850 -7.916 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.840 -7.838 -7.530 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.124 -7.415 -8.687 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.822 -6.252 -8.338 1.00 0.00 H new ATOM 112 N LEU A 9 -5.650 -3.501 -7.796 1.00 0.00 N ATOM 113 CA LEU A 9 -4.958 -2.582 -8.682 1.00 0.00 C ATOM 114 C LEU A 9 -3.484 -2.969 -8.917 1.00 0.00 C ATOM 115 O LEU A 9 -3.002 -2.836 -10.024 1.00 0.00 O ATOM 116 CB LEU A 9 -5.020 -1.186 -8.060 1.00 0.00 C ATOM 117 CG LEU A 9 -4.241 -0.200 -8.925 1.00 0.00 C ATOM 118 CD1 LEU A 9 -5.048 0.124 -10.184 1.00 0.00 C ATOM 119 CD2 LEU A 9 -3.999 1.085 -8.132 1.00 0.00 C ATOM 0 H LEU A 9 -5.494 -3.346 -6.800 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.451 -2.614 -9.654 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.057 -0.864 -7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.604 -1.208 -7.053 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.286 -0.641 -9.210 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.491 0.829 -10.802 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.226 -0.792 -10.748 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.003 0.566 -9.900 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.442 1.792 -8.747 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.956 1.524 -7.850 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.426 0.856 -7.234 1.00 0.00 H new ATOM 131 N LEU A 10 -2.742 -3.438 -7.943 1.00 0.00 N ATOM 132 CA LEU A 10 -1.361 -3.780 -8.249 1.00 0.00 C ATOM 133 C LEU A 10 -0.742 -4.569 -7.102 1.00 0.00 C ATOM 134 O LEU A 10 -1.134 -4.432 -5.963 1.00 0.00 O ATOM 135 CB LEU A 10 -0.559 -2.497 -8.473 1.00 0.00 C ATOM 136 CG LEU A 10 0.930 -2.832 -8.578 1.00 0.00 C ATOM 137 CD1 LEU A 10 1.613 -1.821 -9.501 1.00 0.00 C ATOM 138 CD2 LEU A 10 1.567 -2.766 -7.187 1.00 0.00 C ATOM 0 H LEU A 10 -3.042 -3.588 -6.980 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.341 -4.393 -9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.895 -2.001 -9.383 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.728 -1.802 -7.650 1.00 0.00 H new ATOM 0 HG LEU A 10 1.051 -3.836 -8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.674 -2.057 -9.578 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.159 -1.867 -10.491 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.493 -0.817 -9.093 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.628 -3.005 -7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.448 -1.762 -6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.079 -3.484 -6.529 1.00 0.00 H new ATOM 150 N ILE A 11 0.224 -5.399 -7.392 1.00 0.00 N ATOM 151 CA ILE A 11 0.850 -6.176 -6.344 1.00 0.00 C ATOM 152 C ILE A 11 2.365 -5.979 -6.412 1.00 0.00 C ATOM 153 O ILE A 11 2.961 -5.994 -7.469 1.00 0.00 O ATOM 154 CB ILE A 11 0.511 -7.663 -6.541 1.00 0.00 C ATOM 155 CG1 ILE A 11 1.589 -8.551 -5.882 1.00 0.00 C ATOM 156 CG2 ILE A 11 0.429 -7.969 -8.038 1.00 0.00 C ATOM 157 CD1 ILE A 11 2.797 -8.717 -6.812 1.00 0.00 C ATOM 0 H ILE A 11 0.594 -5.557 -8.329 1.00 0.00 H new ATOM 0 HA ILE A 11 0.484 -5.849 -5.371 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.449 -7.876 -6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.908 -8.106 -4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.168 -9.528 -5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.189 -9.022 -8.181 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.348 -7.355 -8.493 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.388 -7.748 -8.508 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.545 -9.346 -6.329 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.477 -9.184 -7.744 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.229 -7.739 -7.026 1.00 0.00 H new ATOM 169 N VAL A 12 2.987 -5.808 -5.287 1.00 0.00 N ATOM 170 CA VAL A 12 4.423 -5.639 -5.282 1.00 0.00 C ATOM 171 C VAL A 12 5.051 -6.719 -4.397 1.00 0.00 C ATOM 172 O VAL A 12 5.139 -6.600 -3.190 1.00 0.00 O ATOM 173 CB VAL A 12 4.829 -4.236 -4.800 1.00 0.00 C ATOM 174 CG1 VAL A 12 4.923 -3.295 -6.003 1.00 0.00 C ATOM 175 CG2 VAL A 12 3.805 -3.662 -3.823 1.00 0.00 C ATOM 0 H VAL A 12 2.541 -5.781 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 12 4.790 -5.742 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 12 5.790 -4.323 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.211 -2.300 -5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.671 -3.671 -6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.955 -3.243 -6.501 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.124 -2.670 -3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.834 -3.591 -4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.725 -4.315 -2.954 1.00 0.00 H new ATOM 185 N LYS A 13 5.495 -7.770 -5.027 1.00 0.00 N ATOM 186 CA LYS A 13 6.129 -8.881 -4.337 1.00 0.00 C ATOM 187 C LYS A 13 7.308 -8.386 -3.514 1.00 0.00 C ATOM 188 O LYS A 13 7.770 -9.034 -2.596 1.00 0.00 O ATOM 189 CB LYS A 13 6.594 -9.899 -5.381 1.00 0.00 C ATOM 190 CG LYS A 13 8.035 -9.620 -5.836 1.00 0.00 C ATOM 191 CD LYS A 13 8.077 -8.313 -6.628 1.00 0.00 C ATOM 192 CE LYS A 13 8.949 -8.497 -7.871 1.00 0.00 C ATOM 193 NZ LYS A 13 8.463 -7.599 -8.955 1.00 0.00 N ATOM 0 H LYS A 13 5.432 -7.890 -6.038 1.00 0.00 H new ATOM 0 HA LYS A 13 5.418 -9.350 -3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.531 -10.904 -4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.927 -9.869 -6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.694 -9.554 -4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.399 -10.442 -6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.068 -8.019 -6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.476 -7.511 -6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.989 -8.271 -7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.915 -9.535 -8.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.055 -7.723 -9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.477 -7.835 -9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.517 -6.610 -8.637 1.00 0.00 H new ATOM 207 N LYS A 14 7.779 -7.235 -3.834 1.00 0.00 N ATOM 208 CA LYS A 14 8.886 -6.682 -3.091 1.00 0.00 C ATOM 209 C LYS A 14 8.437 -5.433 -2.331 1.00 0.00 C ATOM 210 O LYS A 14 8.147 -4.412 -2.923 1.00 0.00 O ATOM 211 CB LYS A 14 10.030 -6.305 -4.038 1.00 0.00 C ATOM 212 CG LYS A 14 11.304 -7.022 -3.590 1.00 0.00 C ATOM 213 CD LYS A 14 11.027 -8.521 -3.468 1.00 0.00 C ATOM 214 CE LYS A 14 12.333 -9.298 -3.632 1.00 0.00 C ATOM 215 NZ LYS A 14 12.028 -10.743 -3.833 1.00 0.00 N ATOM 0 H LYS A 14 7.430 -6.652 -4.595 1.00 0.00 H new ATOM 0 HA LYS A 14 9.234 -7.436 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.780 -6.586 -5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.183 -5.226 -4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.105 -6.846 -4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.641 -6.624 -2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.580 -8.741 -2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.309 -8.832 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.894 -8.912 -4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.960 -9.167 -2.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.916 -11.273 -3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.509 -11.106 -3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.446 -10.859 -4.687 1.00 0.00 H new ATOM 229 N VAL A 15 8.487 -5.467 -1.024 1.00 0.00 N ATOM 230 CA VAL A 15 8.187 -4.261 -0.303 1.00 0.00 C ATOM 231 C VAL A 15 8.961 -4.254 1.003 1.00 0.00 C ATOM 232 O VAL A 15 9.199 -5.273 1.620 1.00 0.00 O ATOM 233 CB VAL A 15 6.681 -4.061 -0.129 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.399 -3.051 0.983 1.00 0.00 C ATOM 235 CG2 VAL A 15 6.141 -3.503 -1.441 1.00 0.00 C ATOM 0 H VAL A 15 8.723 -6.282 -0.457 1.00 0.00 H new ATOM 0 HA VAL A 15 8.514 -3.397 -0.882 1.00 0.00 H new ATOM 0 HB VAL A 15 6.209 -5.008 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.322 -2.921 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.818 -3.416 1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.856 -2.094 0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.066 -3.347 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.629 -2.554 -1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.342 -4.209 -2.247 1.00 0.00 H new ATOM 245 N ARG A 16 9.354 -3.094 1.413 1.00 0.00 N ATOM 246 CA ARG A 16 10.102 -2.940 2.629 1.00 0.00 C ATOM 247 C ARG A 16 9.323 -2.005 3.516 1.00 0.00 C ATOM 248 O ARG A 16 8.764 -1.037 3.067 1.00 0.00 O ATOM 249 CB ARG A 16 11.464 -2.313 2.310 1.00 0.00 C ATOM 250 CG ARG A 16 12.101 -1.771 3.595 1.00 0.00 C ATOM 251 CD ARG A 16 13.508 -2.358 3.786 1.00 0.00 C ATOM 252 NE ARG A 16 13.560 -3.720 3.288 1.00 0.00 N ATOM 253 CZ ARG A 16 14.714 -4.275 3.019 1.00 0.00 C ATOM 254 NH1 ARG A 16 15.826 -3.619 3.223 1.00 0.00 N ATOM 255 NH2 ARG A 16 14.756 -5.491 2.546 1.00 0.00 N ATOM 0 H ARG A 16 9.168 -2.222 0.918 1.00 0.00 H new ATOM 0 HA ARG A 16 10.258 -3.903 3.115 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.119 -3.056 1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.343 -1.508 1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.157 -0.683 3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.476 -2.022 4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 16 14.239 -1.744 3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.776 -2.340 4.842 1.00 0.00 H new ATOM 0 HE ARG A 16 12.697 -4.245 3.148 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.797 -2.669 3.594 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.723 -4.057 3.011 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.890 -6.006 2.387 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.654 -5.926 2.336 1.00 0.00 H new ATOM 269 N GLN A 17 9.277 -2.277 4.765 1.00 0.00 N ATOM 270 CA GLN A 17 8.555 -1.404 5.637 1.00 0.00 C ATOM 271 C GLN A 17 9.309 -1.382 6.958 1.00 0.00 C ATOM 272 O GLN A 17 9.844 -2.388 7.378 1.00 0.00 O ATOM 273 CB GLN A 17 7.125 -1.931 5.799 1.00 0.00 C ATOM 274 CG GLN A 17 7.170 -3.430 5.998 1.00 0.00 C ATOM 275 CD GLN A 17 5.787 -3.956 6.348 1.00 0.00 C ATOM 276 OE1 GLN A 17 4.791 -3.299 6.124 1.00 0.00 O ATOM 277 NE2 GLN A 17 5.691 -5.127 6.904 1.00 0.00 N ATOM 0 H GLN A 17 9.719 -3.081 5.211 1.00 0.00 H new ATOM 0 HA GLN A 17 8.482 -0.390 5.244 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.642 -1.453 6.651 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.532 -1.686 4.918 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.532 -3.914 5.091 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.873 -3.677 6.793 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.532 -5.674 7.089 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.775 -5.499 7.155 1.00 0.00 H new ATOM 286 N LYS A 18 9.459 -0.224 7.546 1.00 0.00 N ATOM 287 CA LYS A 18 10.268 -0.103 8.755 1.00 0.00 C ATOM 288 C LYS A 18 10.102 -1.337 9.651 1.00 0.00 C ATOM 289 O LYS A 18 10.980 -1.659 10.428 1.00 0.00 O ATOM 290 CB LYS A 18 9.839 1.143 9.530 1.00 0.00 C ATOM 291 CG LYS A 18 11.000 2.139 9.574 1.00 0.00 C ATOM 292 CD LYS A 18 10.518 3.509 9.091 1.00 0.00 C ATOM 293 CE LYS A 18 11.712 4.456 8.958 1.00 0.00 C ATOM 294 NZ LYS A 18 11.266 5.857 9.202 1.00 0.00 N ATOM 0 H LYS A 18 9.041 0.647 7.220 1.00 0.00 H new ATOM 0 HA LYS A 18 11.315 -0.023 8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.971 1.600 9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.541 0.870 10.542 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.388 2.216 10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.818 1.788 8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.011 3.410 8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.792 3.919 9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.489 4.181 9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.148 4.370 7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.078 6.501 9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.539 6.116 8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.869 5.933 10.160 1.00 0.00 H new ATOM 308 N LYS A 19 9.020 -2.053 9.538 1.00 0.00 N ATOM 309 CA LYS A 19 8.868 -3.239 10.346 1.00 0.00 C ATOM 310 C LYS A 19 9.628 -4.432 9.709 1.00 0.00 C ATOM 311 O LYS A 19 10.435 -5.084 10.342 1.00 0.00 O ATOM 312 CB LYS A 19 7.361 -3.588 10.484 1.00 0.00 C ATOM 313 CG LYS A 19 6.680 -3.778 9.103 1.00 0.00 C ATOM 314 CD LYS A 19 5.168 -3.541 9.223 1.00 0.00 C ATOM 315 CE LYS A 19 4.639 -4.197 10.501 1.00 0.00 C ATOM 316 NZ LYS A 19 3.151 -4.242 10.454 1.00 0.00 N ATOM 0 H LYS A 19 8.243 -1.847 8.910 1.00 0.00 H new ATOM 0 HA LYS A 19 9.288 -3.047 11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.252 -4.500 11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.854 -2.794 11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.108 -3.085 8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.870 -4.785 8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.959 -2.471 9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.656 -3.953 8.353 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.041 -5.205 10.599 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.970 -3.636 11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.790 -4.687 11.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.777 -3.275 10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.846 -4.796 9.628 1.00 0.00 H new ATOM 330 N GLN A 20 9.281 -4.766 8.499 1.00 0.00 N ATOM 331 CA GLN A 20 9.830 -5.928 7.828 1.00 0.00 C ATOM 332 C GLN A 20 9.853 -5.721 6.318 1.00 0.00 C ATOM 333 O GLN A 20 9.240 -4.823 5.796 1.00 0.00 O ATOM 334 CB GLN A 20 8.986 -7.158 8.137 1.00 0.00 C ATOM 335 CG GLN A 20 9.902 -8.268 8.635 1.00 0.00 C ATOM 336 CD GLN A 20 9.949 -9.402 7.611 1.00 0.00 C ATOM 337 OE1 GLN A 20 9.593 -9.216 6.468 1.00 0.00 O ATOM 338 NE2 GLN A 20 10.374 -10.579 7.976 1.00 0.00 N ATOM 0 H GLN A 20 8.607 -4.243 7.941 1.00 0.00 H new ATOM 0 HA GLN A 20 10.848 -6.072 8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.235 -6.921 8.891 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.450 -7.482 7.245 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.905 -7.876 8.803 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.543 -8.645 9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.674 -10.737 8.938 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.407 -11.342 7.300 1.00 0.00 H new ATOM 347 N ASP A 21 10.511 -6.578 5.601 1.00 0.00 N ATOM 348 CA ASP A 21 10.492 -6.442 4.167 1.00 0.00 C ATOM 349 C ASP A 21 9.567 -7.577 3.769 1.00 0.00 C ATOM 350 O ASP A 21 9.676 -8.690 4.238 1.00 0.00 O ATOM 351 CB ASP A 21 11.885 -6.636 3.556 1.00 0.00 C ATOM 352 CG ASP A 21 12.950 -6.102 4.517 1.00 0.00 C ATOM 353 OD1 ASP A 21 12.701 -5.085 5.143 1.00 0.00 O ATOM 354 OD2 ASP A 21 13.998 -6.720 4.610 1.00 0.00 O ATOM 0 H ASP A 21 11.055 -7.360 5.965 1.00 0.00 H new ATOM 0 HA ASP A 21 10.175 -5.456 3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.060 -7.693 3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.949 -6.115 2.601 1.00 0.00 H new ATOM 359 N GLY A 22 8.600 -7.265 2.962 1.00 0.00 N ATOM 360 CA GLY A 22 7.612 -8.247 2.598 1.00 0.00 C ATOM 361 C GLY A 22 6.864 -7.819 1.346 1.00 0.00 C ATOM 362 O GLY A 22 7.007 -6.700 0.878 1.00 0.00 O ATOM 0 H GLY A 22 8.469 -6.345 2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.094 -9.210 2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.908 -8.384 3.419 1.00 0.00 H new ATOM 366 N ALA A 23 6.138 -8.717 0.741 1.00 0.00 N ATOM 367 CA ALA A 23 5.453 -8.374 -0.474 1.00 0.00 C ATOM 368 C ALA A 23 4.112 -7.711 -0.162 1.00 0.00 C ATOM 369 O ALA A 23 3.363 -8.101 0.709 1.00 0.00 O ATOM 370 CB ALA A 23 5.202 -9.639 -1.296 1.00 0.00 C ATOM 0 H ALA A 23 6.006 -9.676 1.062 1.00 0.00 H new ATOM 0 HA ALA A 23 6.074 -7.678 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.682 -9.377 -2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.154 -10.111 -1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.590 -10.332 -0.719 1.00 0.00 H new ATOM 376 N LEU A 24 3.904 -6.640 -0.851 1.00 0.00 N ATOM 377 CA LEU A 24 2.735 -5.819 -0.624 1.00 0.00 C ATOM 378 C LEU A 24 1.759 -5.984 -1.791 1.00 0.00 C ATOM 379 O LEU A 24 2.120 -5.933 -2.942 1.00 0.00 O ATOM 380 CB LEU A 24 3.183 -4.354 -0.538 1.00 0.00 C ATOM 381 CG LEU A 24 2.875 -3.762 0.830 1.00 0.00 C ATOM 382 CD1 LEU A 24 2.968 -2.238 0.729 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.467 -4.149 1.273 1.00 0.00 C ATOM 0 H LEU A 24 4.526 -6.300 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 24 2.240 -6.118 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.253 -4.286 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.681 -3.772 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 24 3.589 -4.144 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.750 -1.795 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.974 -1.955 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.247 -1.877 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.262 -3.718 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.742 -3.771 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.389 -5.235 1.331 1.00 0.00 H new ATOM 395 N TYR A 25 0.514 -6.193 -1.470 1.00 0.00 N ATOM 396 CA TYR A 25 -0.517 -6.369 -2.476 1.00 0.00 C ATOM 397 C TYR A 25 -1.421 -5.150 -2.412 1.00 0.00 C ATOM 398 O TYR A 25 -1.824 -4.754 -1.336 1.00 0.00 O ATOM 399 CB TYR A 25 -1.371 -7.586 -2.113 1.00 0.00 C ATOM 400 CG TYR A 25 -0.796 -8.848 -2.695 1.00 0.00 C ATOM 401 CD1 TYR A 25 -1.104 -9.207 -4.008 1.00 0.00 C ATOM 402 CD2 TYR A 25 0.017 -9.673 -1.909 1.00 0.00 C ATOM 403 CE1 TYR A 25 -0.594 -10.397 -4.543 1.00 0.00 C ATOM 404 CE2 TYR A 25 0.524 -10.865 -2.440 1.00 0.00 C ATOM 405 CZ TYR A 25 0.218 -11.227 -3.758 1.00 0.00 C ATOM 406 OH TYR A 25 0.715 -12.402 -4.284 1.00 0.00 O ATOM 0 H TYR A 25 0.177 -6.248 -0.509 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.069 -6.499 -3.461 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.434 -7.679 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.387 -7.443 -2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.734 -8.569 -4.610 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.253 -9.390 -0.894 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.827 -10.675 -5.560 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.150 -11.504 -1.835 1.00 0.00 H new ATOM 0 HH TYR A 25 1.260 -12.858 -3.609 1.00 0.00 H new ATOM 416 N LEU A 26 -1.774 -4.531 -3.502 1.00 0.00 N ATOM 417 CA LEU A 26 -2.642 -3.384 -3.390 1.00 0.00 C ATOM 418 C LEU A 26 -3.985 -3.735 -4.017 1.00 0.00 C ATOM 419 O LEU A 26 -4.049 -4.247 -5.125 1.00 0.00 O ATOM 420 CB LEU A 26 -2.027 -2.195 -4.133 1.00 0.00 C ATOM 421 CG LEU A 26 -1.566 -1.146 -3.122 1.00 0.00 C ATOM 422 CD1 LEU A 26 -0.758 -1.831 -2.022 1.00 0.00 C ATOM 423 CD2 LEU A 26 -0.691 -0.104 -3.824 1.00 0.00 C ATOM 0 H LEU A 26 -1.489 -4.785 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.773 -3.116 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.184 -2.527 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.758 -1.761 -4.815 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.435 -0.652 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.426 -1.087 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.380 -2.573 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.110 -2.323 -2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.364 0.643 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.180 -0.594 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.266 0.382 -4.613 1.00 0.00 H new ATOM 435 N MET A 27 -5.053 -3.418 -3.340 1.00 0.00 N ATOM 436 CA MET A 27 -6.366 -3.681 -3.872 1.00 0.00 C ATOM 437 C MET A 27 -7.086 -2.341 -3.973 1.00 0.00 C ATOM 438 O MET A 27 -6.860 -1.463 -3.162 1.00 0.00 O ATOM 439 CB MET A 27 -7.128 -4.609 -2.921 1.00 0.00 C ATOM 440 CG MET A 27 -8.321 -5.233 -3.650 1.00 0.00 C ATOM 441 SD MET A 27 -8.565 -6.933 -3.070 1.00 0.00 S ATOM 442 CE MET A 27 -6.890 -7.537 -3.388 1.00 0.00 C ATOM 0 H MET A 27 -5.043 -2.978 -2.420 1.00 0.00 H new ATOM 0 HA MET A 27 -6.304 -4.162 -4.848 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.465 -5.392 -2.553 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.473 -4.050 -2.052 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.220 -4.644 -3.469 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.147 -5.226 -4.726 1.00 0.00 H new ATOM 0 HE1 MET A 27 -6.940 -8.521 -3.854 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.374 -6.846 -4.055 1.00 0.00 H new ATOM 0 HE3 MET A 27 -6.344 -7.609 -2.447 1.00 0.00 H new ATOM 452 N ALA A 28 -7.932 -2.154 -4.953 1.00 0.00 N ATOM 453 CA ALA A 28 -8.607 -0.874 -5.071 1.00 0.00 C ATOM 454 C ALA A 28 -9.087 -0.428 -3.685 1.00 0.00 C ATOM 455 O ALA A 28 -8.788 0.659 -3.231 1.00 0.00 O ATOM 456 CB ALA A 28 -9.812 -1.030 -6.008 1.00 0.00 C ATOM 0 H ALA A 28 -8.170 -2.845 -5.665 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.924 -0.127 -5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.325 -0.073 -6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.470 -1.357 -6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.498 -1.771 -5.598 1.00 0.00 H new ATOM 462 N GLU A 29 -9.894 -1.229 -3.053 1.00 0.00 N ATOM 463 CA GLU A 29 -10.459 -0.836 -1.777 1.00 0.00 C ATOM 464 C GLU A 29 -9.558 -1.196 -0.587 1.00 0.00 C ATOM 465 O GLU A 29 -9.899 -0.888 0.530 1.00 0.00 O ATOM 466 CB GLU A 29 -11.805 -1.552 -1.621 1.00 0.00 C ATOM 467 CG GLU A 29 -12.278 -1.528 -0.158 1.00 0.00 C ATOM 468 CD GLU A 29 -13.807 -1.552 -0.117 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.412 -0.732 -0.789 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.348 -2.390 0.586 1.00 0.00 O ATOM 0 H GLU A 29 -10.179 -2.150 -3.388 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.569 0.248 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.551 -1.073 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.713 -2.584 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.875 -2.386 0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.904 -0.635 0.342 1.00 0.00 H new ATOM 477 N ARG A 30 -8.430 -1.830 -0.755 1.00 0.00 N ATOM 478 CA ARG A 30 -7.653 -2.121 0.443 1.00 0.00 C ATOM 479 C ARG A 30 -6.191 -2.437 0.131 1.00 0.00 C ATOM 480 O ARG A 30 -5.810 -2.703 -0.990 1.00 0.00 O ATOM 481 CB ARG A 30 -8.280 -3.299 1.201 1.00 0.00 C ATOM 482 CG ARG A 30 -7.758 -4.640 0.684 1.00 0.00 C ATOM 483 CD ARG A 30 -8.950 -5.536 0.363 1.00 0.00 C ATOM 484 NE ARG A 30 -9.627 -4.985 -0.797 1.00 0.00 N ATOM 485 CZ ARG A 30 -10.611 -5.631 -1.361 1.00 0.00 C ATOM 486 NH1 ARG A 30 -11.013 -6.774 -0.872 1.00 0.00 N ATOM 487 NH2 ARG A 30 -11.198 -5.131 -2.414 1.00 0.00 N ATOM 0 H ARG A 30 -8.037 -2.143 -1.643 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.671 -1.223 1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.060 -3.207 2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.364 -3.265 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.147 -4.490 -0.206 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.121 -5.112 1.432 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.618 -6.554 0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.630 -5.585 1.214 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.331 -4.085 -1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.558 -7.164 -0.047 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.782 -7.276 -1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.888 -4.237 -2.795 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.967 -5.634 -2.856 1.00 0.00 H new ATOM 501 N ILE A 31 -5.385 -2.416 1.154 1.00 0.00 N ATOM 502 CA ILE A 31 -3.973 -2.714 0.999 1.00 0.00 C ATOM 503 C ILE A 31 -3.711 -4.079 1.647 1.00 0.00 C ATOM 504 O ILE A 31 -4.281 -4.402 2.667 1.00 0.00 O ATOM 505 CB ILE A 31 -3.146 -1.606 1.683 1.00 0.00 C ATOM 506 CG1 ILE A 31 -2.759 -0.557 0.639 1.00 0.00 C ATOM 507 CG2 ILE A 31 -1.868 -2.178 2.310 1.00 0.00 C ATOM 508 CD1 ILE A 31 -1.747 0.415 1.247 1.00 0.00 C ATOM 0 H ILE A 31 -5.673 -2.197 2.108 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.686 -2.750 -0.052 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.751 -1.160 2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.332 -1.042 -0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.644 -0.016 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.305 -1.375 2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.133 -2.926 3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.257 -2.640 1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.470 1.163 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.191 0.909 2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.858 -0.133 1.559 1.00 0.00 H new ATOM 520 N ALA A 32 -2.876 -4.894 1.056 1.00 0.00 N ATOM 521 CA ALA A 32 -2.628 -6.206 1.631 1.00 0.00 C ATOM 522 C ALA A 32 -1.133 -6.478 1.746 1.00 0.00 C ATOM 523 O ALA A 32 -0.348 -6.085 0.910 1.00 0.00 O ATOM 524 CB ALA A 32 -3.273 -7.275 0.748 1.00 0.00 C ATOM 0 H ALA A 32 -2.364 -4.688 0.198 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.061 -6.234 2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.089 -8.260 1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.347 -7.099 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.843 -7.228 -0.253 1.00 0.00 H new ATOM 530 N TRP A 33 -0.738 -7.158 2.787 1.00 0.00 N ATOM 531 CA TRP A 33 0.672 -7.452 2.947 1.00 0.00 C ATOM 532 C TRP A 33 0.904 -8.952 3.022 1.00 0.00 C ATOM 533 O TRP A 33 0.139 -9.687 3.605 1.00 0.00 O ATOM 534 CB TRP A 33 1.212 -6.819 4.211 1.00 0.00 C ATOM 535 CG TRP A 33 2.688 -6.890 4.184 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.454 -6.641 3.103 1.00 0.00 C ATOM 537 CD2 TRP A 33 3.602 -7.253 5.256 1.00 0.00 C ATOM 538 NE1 TRP A 33 4.776 -6.735 3.482 1.00 0.00 N ATOM 539 CE2 TRP A 33 4.918 -7.137 4.774 1.00 0.00 C ATOM 540 CE3 TRP A 33 3.424 -7.648 6.586 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.024 -7.393 5.566 1.00 0.00 C ATOM 542 CZ3 TRP A 33 4.534 -7.929 7.394 1.00 0.00 C ATOM 543 CH2 TRP A 33 5.837 -7.798 6.886 1.00 0.00 C ATOM 0 H TRP A 33 -1.348 -7.514 3.523 1.00 0.00 H new ATOM 0 HA TRP A 33 1.191 -7.042 2.080 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.885 -5.782 4.283 1.00 0.00 H new ATOM 0 HB3 TRP A 33 0.825 -7.337 5.088 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.094 -6.408 2.112 1.00 0.00 H new ATOM 0 HE1 TRP A 33 5.560 -6.527 2.863 1.00 0.00 H new ATOM 0 HE3 TRP A 33 2.427 -7.737 6.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 7.021 -7.280 5.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.386 -8.249 8.415 1.00 0.00 H new ATOM 0 HH2 TRP A 33 6.689 -8.010 7.515 1.00 0.00 H new ATOM 554 N ALA A 34 1.973 -9.398 2.436 1.00 0.00 N ATOM 555 CA ALA A 34 2.290 -10.810 2.461 1.00 0.00 C ATOM 556 C ALA A 34 3.808 -11.019 2.391 1.00 0.00 C ATOM 557 O ALA A 34 4.440 -10.677 1.409 1.00 0.00 O ATOM 558 CB ALA A 34 1.604 -11.520 1.304 1.00 0.00 C ATOM 0 H ALA A 34 2.643 -8.815 1.935 1.00 0.00 H new ATOM 0 HA ALA A 34 1.927 -11.233 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.849 -12.582 1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.525 -11.394 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.946 -11.093 0.361 1.00 0.00 H new ATOM 564 N PRO A 35 4.343 -11.592 3.443 1.00 0.00 N ATOM 565 CA PRO A 35 5.799 -11.850 3.456 1.00 0.00 C ATOM 566 C PRO A 35 6.038 -13.361 3.500 1.00 0.00 C ATOM 567 O PRO A 35 5.220 -14.137 3.047 1.00 0.00 O ATOM 568 CB PRO A 35 6.325 -11.190 4.737 1.00 0.00 C ATOM 569 CG PRO A 35 5.111 -10.634 5.504 1.00 0.00 C ATOM 570 CD PRO A 35 3.857 -10.982 4.701 1.00 0.00 C ATOM 0 HA PRO A 35 6.301 -11.455 2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.865 -11.914 5.347 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.025 -10.390 4.496 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.058 -11.067 6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.198 -9.555 5.629 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.220 -11.674 5.251 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.261 -10.092 4.500 1.00 0.00 H new ATOM 678 N THR A 42 -0.876 -11.642 4.507 1.00 0.00 N ATOM 679 CA THR A 42 -0.557 -11.339 5.887 1.00 0.00 C ATOM 680 C THR A 42 -1.302 -10.071 6.344 1.00 0.00 C ATOM 681 O THR A 42 -1.408 -9.801 7.524 1.00 0.00 O ATOM 682 CB THR A 42 0.976 -11.173 6.016 1.00 0.00 C ATOM 683 OG1 THR A 42 1.450 -12.015 7.056 1.00 0.00 O ATOM 684 CG2 THR A 42 1.380 -9.724 6.323 1.00 0.00 C ATOM 0 HA THR A 42 -0.881 -12.154 6.534 1.00 0.00 H new ATOM 0 HB THR A 42 1.420 -11.447 5.059 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.387 -11.801 7.249 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.465 -9.658 6.404 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.036 -9.072 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.926 -9.411 7.263 1.00 0.00 H new ATOM 692 N ILE A 43 -1.808 -9.290 5.429 1.00 0.00 N ATOM 693 CA ILE A 43 -2.505 -8.085 5.845 1.00 0.00 C ATOM 694 C ILE A 43 -3.571 -7.675 4.842 1.00 0.00 C ATOM 695 O ILE A 43 -3.488 -7.970 3.666 1.00 0.00 O ATOM 696 CB ILE A 43 -1.485 -6.951 6.007 1.00 0.00 C ATOM 697 CG1 ILE A 43 -1.383 -6.581 7.488 1.00 0.00 C ATOM 698 CG2 ILE A 43 -1.882 -5.702 5.185 1.00 0.00 C ATOM 699 CD1 ILE A 43 -0.855 -5.156 7.612 1.00 0.00 C ATOM 0 H ILE A 43 -1.759 -9.449 4.423 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.005 -8.287 6.792 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.522 -7.300 5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.360 -6.662 7.964 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.719 -7.274 8.004 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.135 -4.921 5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.938 -5.964 4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.854 -5.339 5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.780 -4.886 8.665 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.130 -5.091 7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.537 -4.470 7.109 1.00 0.00 H new ATOM 711 N SER A 44 -4.541 -6.943 5.315 1.00 0.00 N ATOM 712 CA SER A 44 -5.575 -6.452 4.441 1.00 0.00 C ATOM 713 C SER A 44 -6.345 -5.325 5.141 1.00 0.00 C ATOM 714 O SER A 44 -7.205 -5.569 5.964 1.00 0.00 O ATOM 715 CB SER A 44 -6.530 -7.588 4.076 1.00 0.00 C ATOM 716 OG SER A 44 -5.809 -8.606 3.393 1.00 0.00 O ATOM 0 H SER A 44 -4.639 -6.673 6.294 1.00 0.00 H new ATOM 0 HA SER A 44 -5.122 -6.065 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.991 -7.994 4.976 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.337 -7.212 3.446 1.00 0.00 H new ATOM 0 HG SER A 44 -4.985 -8.229 3.020 1.00 0.00 H new ATOM 722 N HIS A 45 -6.060 -4.091 4.803 1.00 0.00 N ATOM 723 CA HIS A 45 -6.781 -2.988 5.420 1.00 0.00 C ATOM 724 C HIS A 45 -7.688 -2.345 4.375 1.00 0.00 C ATOM 725 O HIS A 45 -7.223 -1.781 3.402 1.00 0.00 O ATOM 726 CB HIS A 45 -5.838 -1.901 5.948 1.00 0.00 C ATOM 727 CG HIS A 45 -4.391 -2.295 5.821 1.00 0.00 C ATOM 728 ND1 HIS A 45 -3.608 -2.580 4.734 1.00 0.00 N flip ATOM 729 CD2 HIS A 45 -3.550 -2.363 6.920 1.00 0.00 C flip ATOM 730 CE1 HIS A 45 -2.301 -2.819 5.144 1.00 0.00 C flip ATOM 731 NE2 HIS A 45 -2.322 -2.673 6.471 1.00 0.00 N flip ATOM 0 H HIS A 45 -5.352 -3.821 4.120 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.347 -3.396 6.258 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.010 -0.975 5.400 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.068 -1.700 6.994 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.830 -2.197 7.950 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.453 -3.069 4.524 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -1.505 -2.783 7.071 1.00 0.00 H new ATOM 739 N MET A 46 -8.972 -2.410 4.577 1.00 0.00 N ATOM 740 CA MET A 46 -9.883 -1.813 3.627 1.00 0.00 C ATOM 741 C MET A 46 -9.763 -0.294 3.678 1.00 0.00 C ATOM 742 O MET A 46 -9.987 0.323 4.689 1.00 0.00 O ATOM 743 CB MET A 46 -11.318 -2.216 3.955 1.00 0.00 C ATOM 744 CG MET A 46 -11.925 -2.961 2.767 1.00 0.00 C ATOM 745 SD MET A 46 -13.040 -4.251 3.372 1.00 0.00 S ATOM 746 CE MET A 46 -12.160 -5.662 2.659 1.00 0.00 C ATOM 0 H MET A 46 -9.414 -2.862 5.377 1.00 0.00 H new ATOM 0 HA MET A 46 -9.628 -2.165 2.628 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.335 -2.850 4.842 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.912 -1.331 4.184 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.469 -2.266 2.127 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.136 -3.403 2.159 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.684 -6.584 2.913 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.118 -5.555 1.575 1.00 0.00 H new ATOM 0 HE3 MET A 46 -11.147 -5.699 3.059 1.00 0.00 H new ATOM 756 N TYR A 47 -9.372 0.294 2.591 1.00 0.00 N ATOM 757 CA TYR A 47 -9.216 1.734 2.543 1.00 0.00 C ATOM 758 C TYR A 47 -10.392 2.413 3.293 1.00 0.00 C ATOM 759 O TYR A 47 -10.180 3.296 4.084 1.00 0.00 O ATOM 760 CB TYR A 47 -9.134 2.178 1.071 1.00 0.00 C ATOM 761 CG TYR A 47 -7.697 2.023 0.558 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.670 1.545 1.403 1.00 0.00 C ATOM 763 CD2 TYR A 47 -7.378 2.377 -0.766 1.00 0.00 C ATOM 764 CE1 TYR A 47 -5.358 1.435 0.923 1.00 0.00 C ATOM 765 CE2 TYR A 47 -6.069 2.259 -1.233 1.00 0.00 C ATOM 766 CZ TYR A 47 -5.059 1.793 -0.392 1.00 0.00 C ATOM 767 OH TYR A 47 -3.766 1.688 -0.862 1.00 0.00 O ATOM 0 H TYR A 47 -9.153 -0.190 1.720 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.295 2.037 3.041 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.813 1.580 0.463 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.453 3.216 0.977 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.897 1.264 2.421 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.152 2.742 -1.425 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.576 1.072 1.573 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.836 2.530 -2.252 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.716 0.967 -1.524 1.00 0.00 H new ATOM 777 N ALA A 48 -11.622 1.995 3.098 1.00 0.00 N ATOM 778 CA ALA A 48 -12.726 2.615 3.847 1.00 0.00 C ATOM 779 C ALA A 48 -12.583 2.217 5.329 1.00 0.00 C ATOM 780 O ALA A 48 -12.836 2.978 6.241 1.00 0.00 O ATOM 781 CB ALA A 48 -14.061 2.104 3.302 1.00 0.00 C ATOM 0 H ALA A 48 -11.893 1.254 2.452 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.695 3.700 3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.880 2.563 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.147 2.364 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.109 1.021 3.414 1.00 0.00 H new ATOM 787 N ASP A 49 -12.120 1.021 5.520 1.00 0.00 N ATOM 788 CA ASP A 49 -11.855 0.453 6.838 1.00 0.00 C ATOM 789 C ASP A 49 -10.668 1.182 7.497 1.00 0.00 C ATOM 790 O ASP A 49 -10.315 0.921 8.630 1.00 0.00 O ATOM 791 CB ASP A 49 -11.526 -1.033 6.702 1.00 0.00 C ATOM 792 CG ASP A 49 -12.790 -1.797 6.300 1.00 0.00 C ATOM 793 OD1 ASP A 49 -13.757 -1.151 5.931 1.00 0.00 O ATOM 794 OD2 ASP A 49 -12.767 -3.015 6.366 1.00 0.00 O ATOM 0 H ASP A 49 -11.905 0.383 4.754 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.742 0.575 7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.747 -1.178 5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.138 -1.419 7.645 1.00 0.00 H new ATOM 799 N ILE A 50 -10.060 2.092 6.787 1.00 0.00 N ATOM 800 CA ILE A 50 -8.939 2.825 7.342 1.00 0.00 C ATOM 801 C ILE A 50 -8.971 4.269 6.820 1.00 0.00 C ATOM 802 O ILE A 50 -9.276 4.490 5.672 1.00 0.00 O ATOM 803 CB ILE A 50 -7.653 2.148 6.882 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.684 1.997 5.363 1.00 0.00 C ATOM 805 CG2 ILE A 50 -7.547 0.765 7.522 1.00 0.00 C ATOM 806 CD1 ILE A 50 -7.031 3.215 4.713 1.00 0.00 C ATOM 0 H ILE A 50 -10.313 2.347 5.832 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.992 2.835 8.431 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.796 2.752 7.178 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.159 1.089 5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.713 1.896 5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.627 0.281 7.193 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.535 0.866 8.607 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.403 0.159 7.223 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.054 3.105 3.629 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.575 4.115 4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.997 3.295 5.047 1.00 0.00 H new ATOM 818 N LYS A 51 -8.640 5.274 7.598 1.00 0.00 N ATOM 819 CA LYS A 51 -8.672 6.591 7.001 1.00 0.00 C ATOM 820 C LYS A 51 -7.555 7.479 7.508 1.00 0.00 C ATOM 821 O LYS A 51 -7.602 8.049 8.580 1.00 0.00 O ATOM 822 CB LYS A 51 -9.993 7.283 7.272 1.00 0.00 C ATOM 823 CG LYS A 51 -10.256 8.227 6.100 1.00 0.00 C ATOM 824 CD LYS A 51 -9.283 9.411 6.160 1.00 0.00 C ATOM 825 CE LYS A 51 -9.391 10.096 7.524 1.00 0.00 C ATOM 826 NZ LYS A 51 -9.593 11.559 7.328 1.00 0.00 N ATOM 0 H LYS A 51 -8.363 5.219 8.578 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.543 6.438 5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.797 6.554 7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.952 7.836 8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.137 7.693 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.284 8.587 6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.263 9.065 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.510 10.122 5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.222 9.675 8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.487 9.917 8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.667 12.026 8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.786 11.954 6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.468 11.720 6.789 1.00 0.00 H new ATOM 840 N CYS A 52 -6.583 7.632 6.681 1.00 0.00 N ATOM 841 CA CYS A 52 -5.469 8.490 6.961 1.00 0.00 C ATOM 842 C CYS A 52 -4.469 8.275 5.850 1.00 0.00 C ATOM 843 O CYS A 52 -4.222 7.149 5.472 1.00 0.00 O ATOM 844 CB CYS A 52 -4.851 8.123 8.284 1.00 0.00 C ATOM 845 SG CYS A 52 -5.354 9.318 9.548 1.00 0.00 S ATOM 0 H CYS A 52 -6.531 7.162 5.777 1.00 0.00 H new ATOM 0 HA CYS A 52 -5.782 9.533 7.016 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.162 7.120 8.575 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.765 8.108 8.197 1.00 0.00 H new ATOM 0 HG CYS A 52 -6.642 9.256 9.716 1.00 0.00 H new ATOM 851 N GLN A 53 -3.917 9.300 5.297 1.00 0.00 N ATOM 852 CA GLN A 53 -2.996 9.065 4.210 1.00 0.00 C ATOM 853 C GLN A 53 -1.846 10.053 4.250 1.00 0.00 C ATOM 854 O GLN A 53 -2.010 11.256 4.235 1.00 0.00 O ATOM 855 CB GLN A 53 -3.732 9.188 2.881 1.00 0.00 C ATOM 856 CG GLN A 53 -4.332 7.831 2.517 1.00 0.00 C ATOM 857 CD GLN A 53 -3.537 7.207 1.368 1.00 0.00 C ATOM 858 OE1 GLN A 53 -2.463 7.668 1.036 1.00 0.00 O ATOM 859 NE2 GLN A 53 -4.025 6.172 0.741 1.00 0.00 N ATOM 0 H GLN A 53 -4.070 10.275 5.556 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.589 8.059 4.314 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.518 9.940 2.954 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.047 9.518 2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.315 7.171 3.384 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.376 7.950 2.227 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.927 5.785 1.020 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.505 5.750 -0.028 1.00 0.00 H new ATOM 868 N LYS A 54 -0.672 9.504 4.317 1.00 0.00 N ATOM 869 CA LYS A 54 0.530 10.288 4.380 1.00 0.00 C ATOM 870 C LYS A 54 1.478 9.802 3.284 1.00 0.00 C ATOM 871 O LYS A 54 1.969 8.692 3.337 1.00 0.00 O ATOM 872 CB LYS A 54 1.170 10.040 5.746 1.00 0.00 C ATOM 873 CG LYS A 54 1.243 11.340 6.541 1.00 0.00 C ATOM 874 CD LYS A 54 2.038 12.386 5.757 1.00 0.00 C ATOM 875 CE LYS A 54 3.477 12.428 6.275 1.00 0.00 C ATOM 876 NZ LYS A 54 4.239 13.479 5.543 1.00 0.00 N ATOM 0 H LYS A 54 -0.517 8.496 4.330 1.00 0.00 H new ATOM 0 HA LYS A 54 0.321 11.349 4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.590 9.300 6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.171 9.628 5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.238 11.710 6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.716 11.160 7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.030 12.143 4.694 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.573 13.366 5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.484 12.638 7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.953 11.457 6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.217 13.507 5.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.243 13.260 4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.789 14.404 5.696 1.00 0.00 H new ATOM 988 N LYS A 62 12.948 6.749 0.207 1.00 0.00 N ATOM 989 CA LYS A 62 12.885 6.113 -1.094 1.00 0.00 C ATOM 990 C LYS A 62 11.497 5.552 -1.365 1.00 0.00 C ATOM 991 O LYS A 62 11.377 4.403 -1.689 1.00 0.00 O ATOM 992 CB LYS A 62 13.890 4.960 -1.207 1.00 0.00 C ATOM 993 CG LYS A 62 14.480 4.636 0.168 1.00 0.00 C ATOM 994 CD LYS A 62 15.033 3.211 0.161 1.00 0.00 C ATOM 995 CE LYS A 62 16.376 3.180 0.892 1.00 0.00 C ATOM 996 NZ LYS A 62 16.466 1.937 1.707 1.00 0.00 N ATOM 0 HA LYS A 62 13.127 6.885 -1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.398 4.078 -1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.688 5.230 -1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.272 5.344 0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.714 4.737 0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.328 2.534 0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.157 2.863 -0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.195 3.217 0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.474 4.056 1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.379 1.914 2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.692 1.920 2.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.390 1.107 1.084 1.00 0.00 H new ATOM 1010 N ILE A 63 10.453 6.330 -1.267 1.00 0.00 N ATOM 1011 CA ILE A 63 9.116 5.839 -1.570 1.00 0.00 C ATOM 1012 C ILE A 63 8.451 5.105 -0.389 1.00 0.00 C ATOM 1013 O ILE A 63 8.242 3.910 -0.372 1.00 0.00 O ATOM 1014 CB ILE A 63 9.100 5.061 -2.894 1.00 0.00 C ATOM 1015 CG1 ILE A 63 9.327 3.540 -2.698 1.00 0.00 C ATOM 1016 CG2 ILE A 63 10.172 5.662 -3.821 1.00 0.00 C ATOM 1017 CD1 ILE A 63 10.447 3.033 -3.629 1.00 0.00 C ATOM 0 H ILE A 63 10.492 7.308 -0.980 1.00 0.00 H new ATOM 0 HA ILE A 63 8.475 6.708 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 63 8.111 5.158 -3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.590 3.337 -1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.403 3.000 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.177 5.123 -4.768 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.948 6.713 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.151 5.576 -3.349 1.00 0.00 H new ATOM 0 HD11 ILE A 63 10.591 1.963 -3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.169 3.217 -4.667 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.374 3.560 -3.403 1.00 0.00 H new ATOM 1029 N GLN A 64 8.091 5.894 0.587 1.00 0.00 N ATOM 1030 CA GLN A 64 7.419 5.383 1.774 1.00 0.00 C ATOM 1031 C GLN A 64 6.063 6.076 1.928 1.00 0.00 C ATOM 1032 O GLN A 64 5.960 7.281 1.828 1.00 0.00 O ATOM 1033 CB GLN A 64 8.256 5.641 3.036 1.00 0.00 C ATOM 1034 CG GLN A 64 9.409 6.607 2.728 1.00 0.00 C ATOM 1035 CD GLN A 64 10.355 6.699 3.931 1.00 0.00 C ATOM 1036 OE1 GLN A 64 10.619 5.630 4.632 1.00 0.00 O flip ATOM 1037 NE2 GLN A 64 10.865 7.760 4.234 1.00 0.00 N flip ATOM 0 H GLN A 64 8.249 6.902 0.593 1.00 0.00 H new ATOM 0 HA GLN A 64 7.286 4.308 1.655 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.624 6.058 3.820 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.654 4.699 3.415 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.957 6.264 1.850 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.013 7.594 2.491 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.661 8.598 3.689 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.497 7.812 5.033 1.00 0.00 H new ATOM 1046 N LEU A 65 5.021 5.332 2.191 1.00 0.00 N ATOM 1047 CA LEU A 65 3.722 5.962 2.353 1.00 0.00 C ATOM 1048 C LEU A 65 3.162 5.666 3.752 1.00 0.00 C ATOM 1049 O LEU A 65 3.650 4.797 4.454 1.00 0.00 O ATOM 1050 CB LEU A 65 2.743 5.500 1.252 1.00 0.00 C ATOM 1051 CG LEU A 65 2.591 3.969 1.186 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.878 3.332 0.672 1.00 0.00 C ATOM 1053 CD2 LEU A 65 2.246 3.393 2.559 1.00 0.00 C ATOM 0 H LEU A 65 5.034 4.318 2.297 1.00 0.00 H new ATOM 0 HA LEU A 65 3.844 7.040 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.766 5.949 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.091 5.867 0.287 1.00 0.00 H new ATOM 0 HG LEU A 65 1.776 3.742 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.757 2.250 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.098 3.711 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.700 3.579 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.144 2.310 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.040 3.635 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.307 3.822 2.908 1.00 0.00 H new ATOM 1065 N GLN A 66 2.145 6.388 4.165 1.00 0.00 N ATOM 1066 CA GLN A 66 1.580 6.164 5.486 1.00 0.00 C ATOM 1067 C GLN A 66 0.047 6.279 5.448 1.00 0.00 C ATOM 1068 O GLN A 66 -0.515 7.148 4.816 1.00 0.00 O ATOM 1069 CB GLN A 66 2.141 7.200 6.461 1.00 0.00 C ATOM 1070 CG GLN A 66 2.932 6.489 7.562 1.00 0.00 C ATOM 1071 CD GLN A 66 3.692 7.524 8.394 1.00 0.00 C ATOM 1072 OE1 GLN A 66 4.881 7.393 8.608 1.00 0.00 O ATOM 1073 NE2 GLN A 66 3.052 8.554 8.877 1.00 0.00 N ATOM 0 H GLN A 66 1.695 7.124 3.620 1.00 0.00 H new ATOM 0 HA GLN A 66 1.848 5.159 5.814 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.785 7.902 5.931 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.329 7.780 6.899 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.256 5.919 8.200 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.630 5.777 7.121 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.054 8.664 8.698 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.550 9.249 9.434 1.00 0.00 H new ATOM 1082 N LEU A 67 -0.616 5.377 6.114 1.00 0.00 N ATOM 1083 CA LEU A 67 -2.066 5.372 6.131 1.00 0.00 C ATOM 1084 C LEU A 67 -2.527 5.010 7.537 1.00 0.00 C ATOM 1085 O LEU A 67 -1.867 4.266 8.234 1.00 0.00 O ATOM 1086 CB LEU A 67 -2.566 4.327 5.123 1.00 0.00 C ATOM 1087 CG LEU A 67 -4.081 4.143 5.242 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -4.751 4.624 3.953 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -4.395 2.658 5.454 1.00 0.00 C ATOM 0 H LEU A 67 -0.182 4.630 6.656 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.463 6.350 5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.311 4.640 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.064 3.376 5.299 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.456 4.721 6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.830 4.495 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.523 5.678 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.378 4.042 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.473 2.523 5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.023 2.083 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.912 2.311 6.368 1.00 0.00 H new ATOM 1101 N VAL A 68 -3.648 5.512 7.972 1.00 0.00 N ATOM 1102 CA VAL A 68 -4.085 5.159 9.307 1.00 0.00 C ATOM 1103 C VAL A 68 -5.494 4.618 9.288 1.00 0.00 C ATOM 1104 O VAL A 68 -6.272 4.813 8.375 1.00 0.00 O ATOM 1105 CB VAL A 68 -4.005 6.324 10.295 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -3.920 5.772 11.714 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.749 7.123 10.043 1.00 0.00 C ATOM 0 H VAL A 68 -4.259 6.142 7.453 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.395 4.388 9.651 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.887 6.952 10.171 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.863 6.598 12.423 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.806 5.173 11.925 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.030 5.150 11.810 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.697 7.952 10.749 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.877 6.481 10.172 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.765 7.514 9.026 1.00 0.00 H new ATOM 1117 N LEU A 69 -5.774 3.888 10.298 1.00 0.00 N ATOM 1118 CA LEU A 69 -7.038 3.232 10.439 1.00 0.00 C ATOM 1119 C LEU A 69 -7.982 4.135 11.222 1.00 0.00 C ATOM 1120 O LEU A 69 -7.558 4.813 12.134 1.00 0.00 O ATOM 1121 CB LEU A 69 -6.745 1.935 11.214 1.00 0.00 C ATOM 1122 CG LEU A 69 -5.564 1.147 10.553 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -5.954 -0.289 10.265 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -5.118 1.749 9.220 1.00 0.00 C ATOM 0 H LEU A 69 -5.128 3.719 11.069 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.511 3.015 9.481 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.496 2.172 12.248 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.638 1.310 11.237 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.750 1.204 11.276 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.113 -0.809 9.806 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.224 -0.786 11.196 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.805 -0.305 9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.297 1.160 8.811 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.954 1.742 8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.785 2.775 9.377 1.00 0.00 H new ATOM 1136 N HIS A 70 -9.262 4.148 10.901 1.00 0.00 N ATOM 1137 CA HIS A 70 -10.174 4.985 11.670 1.00 0.00 C ATOM 1138 C HIS A 70 -9.848 4.727 13.140 1.00 0.00 C ATOM 1139 O HIS A 70 -9.938 5.587 13.993 1.00 0.00 O ATOM 1140 CB HIS A 70 -11.628 4.602 11.378 1.00 0.00 C ATOM 1141 CG HIS A 70 -11.752 3.108 11.267 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -11.812 2.285 12.380 1.00 0.00 N ATOM 1143 CD2 HIS A 70 -11.838 2.276 10.179 1.00 0.00 C ATOM 1144 CE1 HIS A 70 -11.930 1.018 11.941 1.00 0.00 C ATOM 1145 NE2 HIS A 70 -11.950 0.956 10.607 1.00 0.00 N ATOM 0 H HIS A 70 -9.686 3.612 10.144 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.057 6.037 11.412 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.277 4.971 12.172 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.958 5.073 10.452 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.821 2.596 9.148 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -12.000 0.157 12.589 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.030 0.121 10.027 1.00 0.00 H new ATOM 1153 N ALA A 71 -9.405 3.526 13.395 1.00 0.00 N ATOM 1154 CA ALA A 71 -8.997 3.158 14.721 1.00 0.00 C ATOM 1155 C ALA A 71 -7.622 3.781 14.969 1.00 0.00 C ATOM 1156 O ALA A 71 -7.291 4.814 14.425 1.00 0.00 O ATOM 1157 CB ALA A 71 -8.908 1.634 14.838 1.00 0.00 C ATOM 0 H ALA A 71 -9.318 2.785 12.700 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.719 3.514 15.456 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.598 1.364 15.847 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.884 1.195 14.629 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.179 1.256 14.121 1.00 0.00 H new ATOM 1163 N GLY A 72 -6.843 3.197 15.819 1.00 0.00 N ATOM 1164 CA GLY A 72 -5.544 3.765 16.142 1.00 0.00 C ATOM 1165 C GLY A 72 -4.456 2.882 15.563 1.00 0.00 C ATOM 1166 O GLY A 72 -3.560 2.427 16.245 1.00 0.00 O ATOM 0 H GLY A 72 -7.067 2.331 16.308 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.464 4.774 15.737 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.427 3.845 17.223 1.00 0.00 H new ATOM 1170 N ASP A 73 -4.555 2.632 14.306 1.00 0.00 N ATOM 1171 CA ASP A 73 -3.579 1.787 13.672 1.00 0.00 C ATOM 1172 C ASP A 73 -3.051 2.483 12.432 1.00 0.00 C ATOM 1173 O ASP A 73 -3.794 2.993 11.622 1.00 0.00 O ATOM 1174 CB ASP A 73 -4.215 0.444 13.307 1.00 0.00 C ATOM 1175 CG ASP A 73 -4.246 -0.459 14.542 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -3.270 -0.461 15.275 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -5.245 -1.133 14.734 1.00 0.00 O ATOM 0 H ASP A 73 -5.288 2.990 13.694 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.751 1.600 14.355 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.226 0.599 12.931 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.648 -0.034 12.508 1.00 0.00 H new ATOM 1182 N THR A 74 -1.764 2.515 12.291 1.00 0.00 N ATOM 1183 CA THR A 74 -1.186 3.175 11.149 1.00 0.00 C ATOM 1184 C THR A 74 -0.659 2.111 10.208 1.00 0.00 C ATOM 1185 O THR A 74 -0.513 0.962 10.576 1.00 0.00 O ATOM 1186 CB THR A 74 -0.037 4.083 11.597 1.00 0.00 C ATOM 1187 OG1 THR A 74 -0.211 4.425 12.965 1.00 0.00 O ATOM 1188 CG2 THR A 74 -0.028 5.357 10.747 1.00 0.00 C ATOM 0 H THR A 74 -1.095 2.100 12.939 1.00 0.00 H new ATOM 0 HA THR A 74 -1.937 3.787 10.649 1.00 0.00 H new ATOM 0 HB THR A 74 0.910 3.559 11.471 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.525 5.005 13.253 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.790 6.002 11.067 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.107 5.094 9.698 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.975 5.883 10.870 1.00 0.00 H new ATOM 1196 N THR A 75 -0.369 2.470 8.999 1.00 0.00 N ATOM 1197 CA THR A 75 0.136 1.502 8.067 1.00 0.00 C ATOM 1198 C THR A 75 1.216 2.187 7.243 1.00 0.00 C ATOM 1199 O THR A 75 0.931 2.999 6.385 1.00 0.00 O ATOM 1200 CB THR A 75 -0.996 1.033 7.152 1.00 0.00 C ATOM 1201 OG1 THR A 75 -2.192 0.909 7.909 1.00 0.00 O ATOM 1202 CG2 THR A 75 -0.632 -0.320 6.542 1.00 0.00 C ATOM 0 H THR A 75 -0.470 3.416 8.632 1.00 0.00 H new ATOM 0 HA THR A 75 0.541 0.634 8.588 1.00 0.00 H new ATOM 0 HB THR A 75 -1.145 1.760 6.353 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.876 0.461 7.369 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.439 -0.654 5.890 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.286 -0.223 5.963 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.483 -1.050 7.338 1.00 0.00 H new ATOM 1210 N ASN A 76 2.450 1.881 7.492 1.00 0.00 N ATOM 1211 CA ASN A 76 3.506 2.513 6.740 1.00 0.00 C ATOM 1212 C ASN A 76 4.111 1.477 5.816 1.00 0.00 C ATOM 1213 O ASN A 76 4.214 0.316 6.158 1.00 0.00 O ATOM 1214 CB ASN A 76 4.579 3.030 7.695 1.00 0.00 C ATOM 1215 CG ASN A 76 3.944 3.990 8.700 1.00 0.00 C ATOM 1216 OD1 ASN A 76 2.740 4.012 8.859 1.00 0.00 O ATOM 1217 ND2 ASN A 76 4.708 4.789 9.391 1.00 0.00 N ATOM 0 H ASN A 76 2.756 1.210 8.197 1.00 0.00 H new ATOM 0 HA ASN A 76 3.110 3.351 6.166 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.048 2.197 8.218 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.365 3.538 7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.295 5.433 10.066 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.719 4.770 9.257 1.00 0.00 H new ATOM 1224 N PHE A 77 4.504 1.867 4.645 1.00 0.00 N ATOM 1225 CA PHE A 77 5.068 0.887 3.753 1.00 0.00 C ATOM 1226 C PHE A 77 6.136 1.510 2.864 1.00 0.00 C ATOM 1227 O PHE A 77 6.086 2.668 2.501 1.00 0.00 O ATOM 1228 CB PHE A 77 3.961 0.268 2.906 1.00 0.00 C ATOM 1229 CG PHE A 77 3.859 -1.191 3.250 1.00 0.00 C ATOM 1230 CD1 PHE A 77 5.011 -1.973 3.209 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.631 -1.769 3.608 1.00 0.00 C ATOM 1232 CE1 PHE A 77 4.953 -3.321 3.517 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.574 -3.127 3.917 1.00 0.00 C ATOM 1234 CZ PHE A 77 3.743 -3.898 3.867 1.00 0.00 C ATOM 0 H PHE A 77 4.451 2.821 4.287 1.00 0.00 H new ATOM 0 HA PHE A 77 5.543 0.106 4.347 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.012 0.770 3.097 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.180 0.393 1.846 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.955 -1.525 2.935 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.736 -1.165 3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.850 -3.922 3.485 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.634 -3.582 4.193 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.700 -4.951 4.103 1.00 0.00 H new ATOM 1244 N HIS A 78 7.124 0.730 2.553 1.00 0.00 N ATOM 1245 CA HIS A 78 8.215 1.223 1.745 1.00 0.00 C ATOM 1246 C HIS A 78 8.608 0.205 0.683 1.00 0.00 C ATOM 1247 O HIS A 78 8.366 -0.970 0.793 1.00 0.00 O ATOM 1248 CB HIS A 78 9.440 1.519 2.630 1.00 0.00 C ATOM 1249 CG HIS A 78 10.399 2.384 1.857 1.00 0.00 C ATOM 1250 ND1 HIS A 78 11.183 1.864 0.851 1.00 0.00 N ATOM 1251 CD2 HIS A 78 10.683 3.730 1.890 1.00 0.00 C ATOM 1252 CE1 HIS A 78 11.881 2.878 0.316 1.00 0.00 C ATOM 1253 NE2 HIS A 78 11.618 4.035 0.915 1.00 0.00 N ATOM 0 H HIS A 78 7.205 -0.245 2.840 1.00 0.00 H new ATOM 0 HA HIS A 78 7.881 2.138 1.256 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.131 2.023 3.546 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.925 0.589 2.926 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.243 4.441 2.573 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.575 2.767 -0.504 1.00 0.00 H new ATOM 0 HE2 HIS A 78 12.018 4.949 0.703 1.00 0.00 H new ATOM 1261 N PHE A 79 9.229 0.684 -0.338 1.00 0.00 N ATOM 1262 CA PHE A 79 9.689 -0.161 -1.418 1.00 0.00 C ATOM 1263 C PHE A 79 11.180 0.159 -1.574 1.00 0.00 C ATOM 1264 O PHE A 79 11.523 1.315 -1.596 1.00 0.00 O ATOM 1265 CB PHE A 79 8.950 0.238 -2.683 1.00 0.00 C ATOM 1266 CG PHE A 79 7.447 0.210 -2.503 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.772 1.327 -1.964 1.00 0.00 C ATOM 1268 CD2 PHE A 79 6.720 -0.904 -2.922 1.00 0.00 C ATOM 1269 CE1 PHE A 79 5.370 1.309 -1.851 1.00 0.00 C ATOM 1270 CE2 PHE A 79 5.333 -0.919 -2.797 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.659 0.176 -2.269 1.00 0.00 C ATOM 0 H PHE A 79 9.440 1.674 -0.461 1.00 0.00 H new ATOM 0 HA PHE A 79 9.520 -1.221 -1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 79 9.259 1.240 -2.981 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.229 -0.436 -3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.330 2.193 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 79 7.233 -1.756 -3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.846 2.162 -1.445 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.776 -1.789 -3.113 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.583 0.154 -2.181 1.00 0.00 H new ATOM 1346 N ALA A 85 13.553 1.124 -5.663 1.00 0.00 N ATOM 1347 CA ALA A 85 12.832 2.236 -5.102 1.00 0.00 C ATOM 1348 C ALA A 85 12.983 3.438 -6.028 1.00 0.00 C ATOM 1349 O ALA A 85 13.806 4.312 -5.842 1.00 0.00 O ATOM 1350 CB ALA A 85 13.381 2.570 -3.713 1.00 0.00 C ATOM 0 HA ALA A 85 11.777 1.979 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 85 12.829 3.413 -3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.269 1.705 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.436 2.831 -3.792 1.00 0.00 H new ATOM 1356 N VAL A 86 12.179 3.442 -7.027 1.00 0.00 N ATOM 1357 CA VAL A 86 12.195 4.500 -8.017 1.00 0.00 C ATOM 1358 C VAL A 86 10.784 4.679 -8.611 1.00 0.00 C ATOM 1359 O VAL A 86 9.810 4.760 -7.892 1.00 0.00 O ATOM 1360 CB VAL A 86 13.191 4.132 -9.119 1.00 0.00 C ATOM 1361 CG1 VAL A 86 13.629 5.398 -9.856 1.00 0.00 C ATOM 1362 CG2 VAL A 86 14.415 3.458 -8.494 1.00 0.00 C ATOM 0 H VAL A 86 11.482 2.717 -7.198 1.00 0.00 H new ATOM 0 HA VAL A 86 12.498 5.439 -7.553 1.00 0.00 H new ATOM 0 HB VAL A 86 12.717 3.448 -9.823 1.00 0.00 H new ATOM 0 HG11 VAL A 86 14.338 5.135 -10.641 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.758 5.880 -10.301 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.103 6.083 -9.153 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.125 3.195 -9.278 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.888 4.143 -7.790 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.104 2.555 -7.968 1.00 0.00 H new ATOM 1372 N LYS A 87 10.671 4.755 -9.919 1.00 0.00 N ATOM 1373 CA LYS A 87 9.368 4.942 -10.545 1.00 0.00 C ATOM 1374 C LYS A 87 8.416 3.789 -10.193 1.00 0.00 C ATOM 1375 O LYS A 87 7.270 4.009 -9.860 1.00 0.00 O ATOM 1376 CB LYS A 87 9.549 5.002 -12.064 1.00 0.00 C ATOM 1377 CG LYS A 87 8.957 6.306 -12.603 1.00 0.00 C ATOM 1378 CD LYS A 87 8.953 6.268 -14.133 1.00 0.00 C ATOM 1379 CE LYS A 87 7.633 6.837 -14.654 1.00 0.00 C ATOM 1380 NZ LYS A 87 6.498 6.036 -14.114 1.00 0.00 N ATOM 0 H LYS A 87 11.454 4.692 -10.570 1.00 0.00 H new ATOM 0 HA LYS A 87 8.934 5.871 -10.176 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.608 4.940 -12.316 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.059 4.148 -12.532 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.942 6.439 -12.229 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.541 7.156 -12.251 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.790 6.846 -14.524 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.083 5.244 -14.482 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.531 7.880 -14.354 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.621 6.816 -15.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.758 5.949 -14.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.836 5.089 -13.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.107 6.510 -13.275 1.00 0.00 H new ATOM 1394 N GLU A 88 8.879 2.569 -10.272 1.00 0.00 N ATOM 1395 CA GLU A 88 8.024 1.424 -9.955 1.00 0.00 C ATOM 1396 C GLU A 88 7.138 1.748 -8.750 1.00 0.00 C ATOM 1397 O GLU A 88 5.942 1.980 -8.850 1.00 0.00 O ATOM 1398 CB GLU A 88 8.907 0.221 -9.575 1.00 0.00 C ATOM 1399 CG GLU A 88 10.281 0.698 -9.078 1.00 0.00 C ATOM 1400 CD GLU A 88 11.313 0.529 -10.195 1.00 0.00 C ATOM 1401 OE1 GLU A 88 10.933 0.646 -11.348 1.00 0.00 O ATOM 1402 OE2 GLU A 88 12.467 0.287 -9.879 1.00 0.00 O ATOM 0 H GLU A 88 9.831 2.330 -10.549 1.00 0.00 H new ATOM 0 HA GLU A 88 7.408 1.198 -10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.417 -0.367 -8.799 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.033 -0.433 -10.438 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.227 1.743 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.581 0.125 -8.201 1.00 0.00 H new ATOM 1409 N ARG A 89 7.746 1.775 -7.614 1.00 0.00 N ATOM 1410 CA ARG A 89 7.031 2.081 -6.396 1.00 0.00 C ATOM 1411 C ARG A 89 6.355 3.433 -6.596 1.00 0.00 C ATOM 1412 O ARG A 89 5.197 3.619 -6.279 1.00 0.00 O ATOM 1413 CB ARG A 89 8.029 2.138 -5.235 1.00 0.00 C ATOM 1414 CG ARG A 89 9.154 1.107 -5.469 1.00 0.00 C ATOM 1415 CD ARG A 89 8.531 -0.257 -5.789 1.00 0.00 C ATOM 1416 NE ARG A 89 9.547 -1.148 -6.323 1.00 0.00 N ATOM 1417 CZ ARG A 89 9.312 -2.432 -6.412 1.00 0.00 C ATOM 1418 NH1 ARG A 89 8.190 -2.926 -5.968 1.00 0.00 N ATOM 1419 NH2 ARG A 89 10.206 -3.224 -6.937 1.00 0.00 N ATOM 0 H ARG A 89 8.741 1.590 -7.490 1.00 0.00 H new ATOM 0 HA ARG A 89 6.283 1.323 -6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.451 3.140 -5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.520 1.929 -4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.794 1.429 -6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.785 1.033 -4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.093 -0.688 -4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.723 -0.138 -6.511 1.00 0.00 H new ATOM 0 HE ARG A 89 10.444 -0.772 -6.629 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.492 -2.311 -5.550 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.010 -3.928 -6.039 1.00 0.00 H new ATOM 0 HH21 ARG A 89 11.088 -2.842 -7.278 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.023 -4.225 -7.006 1.00 0.00 H new ATOM 1433 N ASP A 90 7.098 4.366 -7.136 1.00 0.00 N ATOM 1434 CA ASP A 90 6.551 5.693 -7.393 1.00 0.00 C ATOM 1435 C ASP A 90 5.103 5.528 -7.876 1.00 0.00 C ATOM 1436 O ASP A 90 4.179 6.080 -7.314 1.00 0.00 O ATOM 1437 CB ASP A 90 7.374 6.409 -8.468 1.00 0.00 C ATOM 1438 CG ASP A 90 7.092 7.911 -8.405 1.00 0.00 C ATOM 1439 OD1 ASP A 90 6.030 8.275 -7.928 1.00 0.00 O ATOM 1440 OD2 ASP A 90 7.944 8.672 -8.834 1.00 0.00 O ATOM 0 H ASP A 90 8.074 4.243 -7.407 1.00 0.00 H new ATOM 0 HA ASP A 90 6.584 6.290 -6.481 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.436 6.220 -8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 90 7.121 6.021 -9.455 1.00 0.00 H new ATOM 1445 N ALA A 91 4.907 4.754 -8.913 1.00 0.00 N ATOM 1446 CA ALA A 91 3.568 4.530 -9.429 1.00 0.00 C ATOM 1447 C ALA A 91 2.698 3.830 -8.371 1.00 0.00 C ATOM 1448 O ALA A 91 1.518 4.118 -8.235 1.00 0.00 O ATOM 1449 CB ALA A 91 3.658 3.646 -10.676 1.00 0.00 C ATOM 0 H ALA A 91 5.648 4.268 -9.418 1.00 0.00 H new ATOM 0 HA ALA A 91 3.115 5.489 -9.679 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.657 3.472 -11.071 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.265 4.144 -11.432 1.00 0.00 H new ATOM 0 HB3 ALA A 91 4.116 2.692 -10.414 1.00 0.00 H new ATOM 1455 N VAL A 92 3.264 2.940 -7.591 1.00 0.00 N ATOM 1456 CA VAL A 92 2.451 2.300 -6.568 1.00 0.00 C ATOM 1457 C VAL A 92 1.781 3.416 -5.771 1.00 0.00 C ATOM 1458 O VAL A 92 0.568 3.553 -5.735 1.00 0.00 O ATOM 1459 CB VAL A 92 3.318 1.460 -5.618 1.00 0.00 C ATOM 1460 CG1 VAL A 92 2.541 1.187 -4.328 1.00 0.00 C ATOM 1461 CG2 VAL A 92 3.675 0.124 -6.264 1.00 0.00 C ATOM 0 H VAL A 92 4.240 2.647 -7.634 1.00 0.00 H new ATOM 0 HA VAL A 92 1.723 1.636 -7.034 1.00 0.00 H new ATOM 0 HB VAL A 92 4.232 2.013 -5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.155 0.591 -3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.288 2.133 -3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.626 0.643 -4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.289 -0.459 -5.578 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.762 -0.426 -6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.229 0.302 -7.186 1.00 0.00 H new ATOM 1471 N LYS A 93 2.581 4.234 -5.159 1.00 0.00 N ATOM 1472 CA LYS A 93 2.047 5.342 -4.412 1.00 0.00 C ATOM 1473 C LYS A 93 1.154 6.141 -5.366 1.00 0.00 C ATOM 1474 O LYS A 93 -0.016 6.390 -5.089 1.00 0.00 O ATOM 1475 CB LYS A 93 3.217 6.192 -3.893 1.00 0.00 C ATOM 1476 CG LYS A 93 2.798 7.656 -3.719 1.00 0.00 C ATOM 1477 CD LYS A 93 3.997 8.464 -3.211 1.00 0.00 C ATOM 1478 CE LYS A 93 3.900 9.907 -3.714 1.00 0.00 C ATOM 1479 NZ LYS A 93 2.949 10.667 -2.854 1.00 0.00 N ATOM 0 H LYS A 93 3.598 4.161 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 93 1.460 5.016 -3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.565 5.794 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.053 6.130 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.446 8.062 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.970 7.729 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.021 8.450 -2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.926 8.010 -3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.883 10.378 -3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.562 9.921 -4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.020 11.682 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.979 10.341 -3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.184 10.510 -1.853 1.00 0.00 H new ATOM 1493 N ASP A 94 1.713 6.514 -6.502 1.00 0.00 N ATOM 1494 CA ASP A 94 0.982 7.268 -7.514 1.00 0.00 C ATOM 1495 C ASP A 94 -0.459 6.761 -7.640 1.00 0.00 C ATOM 1496 O ASP A 94 -1.343 7.503 -8.021 1.00 0.00 O ATOM 1497 CB ASP A 94 1.691 7.126 -8.865 1.00 0.00 C ATOM 1498 CG ASP A 94 1.410 8.359 -9.729 1.00 0.00 C ATOM 1499 OD1 ASP A 94 0.261 8.554 -10.092 1.00 0.00 O ATOM 1500 OD2 ASP A 94 2.348 9.084 -10.017 1.00 0.00 O ATOM 0 H ASP A 94 2.680 6.307 -6.752 1.00 0.00 H new ATOM 0 HA ASP A 94 0.956 8.315 -7.213 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.764 7.014 -8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.346 6.227 -9.375 1.00 0.00 H new ATOM 1505 N LEU A 95 -0.725 5.525 -7.296 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.099 5.049 -7.378 1.00 0.00 C ATOM 1507 C LEU A 95 -2.769 5.274 -6.017 1.00 0.00 C ATOM 1508 O LEU A 95 -3.893 5.731 -5.945 1.00 0.00 O ATOM 1509 CB LEU A 95 -2.140 3.560 -7.759 1.00 0.00 C ATOM 1510 CG LEU A 95 -1.170 3.257 -8.921 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -1.779 2.188 -9.839 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -0.901 4.516 -9.752 1.00 0.00 C ATOM 0 H LEU A 95 -0.041 4.844 -6.966 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.633 5.600 -8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.876 2.952 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.154 3.283 -8.046 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.232 2.902 -8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.091 1.977 -10.658 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.955 1.276 -9.269 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.724 2.551 -10.243 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.215 4.276 -10.564 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.839 4.886 -10.167 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.458 5.283 -9.117 1.00 0.00 H new ATOM 1524 N LEU A 96 -2.088 4.944 -4.941 1.00 0.00 N ATOM 1525 CA LEU A 96 -2.654 5.136 -3.602 1.00 0.00 C ATOM 1526 C LEU A 96 -3.493 6.426 -3.563 1.00 0.00 C ATOM 1527 O LEU A 96 -4.687 6.415 -3.323 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.503 5.295 -2.602 1.00 0.00 C ATOM 1529 CG LEU A 96 -0.701 3.990 -2.452 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.106 3.929 -1.046 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.604 2.769 -2.670 1.00 0.00 C ATOM 0 H LEU A 96 -1.150 4.544 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.280 4.279 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.840 6.095 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.901 5.592 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 96 0.091 3.977 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.464 3.007 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.552 4.784 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.909 3.953 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.016 1.858 -2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.407 2.775 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.031 2.806 -3.672 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.842 7.533 -3.796 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.529 8.841 -3.781 1.00 0.00 C ATOM 1545 C GLN A 97 -4.577 8.918 -4.896 1.00 0.00 C ATOM 1546 O GLN A 97 -5.267 9.908 -5.042 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.550 10.000 -3.967 1.00 0.00 C ATOM 1548 CG GLN A 97 -1.332 9.789 -3.084 1.00 0.00 C ATOM 1549 CD GLN A 97 -0.196 9.260 -3.942 1.00 0.00 C ATOM 1550 OE1 GLN A 97 0.961 9.446 -3.626 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -0.482 8.601 -5.028 1.00 0.00 N ATOM 0 H GLN A 97 -1.844 7.579 -3.999 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.007 8.928 -2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.246 10.068 -5.012 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.035 10.943 -3.714 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.042 10.726 -2.609 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.562 9.084 -2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.456 8.447 -5.290 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.268 8.239 -5.617 1.00 0.00 H new ATOM 1560 N GLN A 98 -4.721 7.881 -5.661 1.00 0.00 N ATOM 1561 CA GLN A 98 -5.709 7.880 -6.710 1.00 0.00 C ATOM 1562 C GLN A 98 -6.979 7.216 -6.169 1.00 0.00 C ATOM 1563 O GLN A 98 -8.082 7.651 -6.436 1.00 0.00 O ATOM 1564 CB GLN A 98 -5.177 7.093 -7.907 1.00 0.00 C ATOM 1565 CG GLN A 98 -5.455 7.870 -9.195 1.00 0.00 C ATOM 1566 CD GLN A 98 -6.581 7.189 -9.976 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -7.545 7.825 -10.355 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -6.500 5.913 -10.237 1.00 0.00 N ATOM 0 H GLN A 98 -4.172 7.024 -5.585 1.00 0.00 H new ATOM 0 HA GLN A 98 -5.929 8.898 -7.030 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.106 6.923 -7.797 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.652 6.113 -7.951 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -5.733 8.897 -8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.553 7.916 -9.805 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.692 5.378 -9.920 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.245 5.451 -10.758 1.00 0.00 H new ATOM 1577 N LEU A 99 -6.827 6.171 -5.395 1.00 0.00 N ATOM 1578 CA LEU A 99 -7.997 5.502 -4.833 1.00 0.00 C ATOM 1579 C LEU A 99 -8.498 6.287 -3.616 1.00 0.00 C ATOM 1580 O LEU A 99 -9.667 6.280 -3.301 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.637 4.082 -4.369 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.431 3.561 -5.142 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.216 3.629 -4.238 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -6.654 2.107 -5.544 1.00 0.00 C ATOM 0 H LEU A 99 -5.928 5.763 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.765 5.452 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.419 4.086 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.488 3.417 -4.518 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.286 4.165 -6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.342 3.260 -4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.046 4.662 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.385 3.014 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.786 1.745 -6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.795 1.500 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.540 2.036 -6.174 1.00 0.00 H new ATOM 1596 N LEU A 100 -7.602 6.915 -2.906 1.00 0.00 N ATOM 1597 CA LEU A 100 -7.971 7.646 -1.705 1.00 0.00 C ATOM 1598 C LEU A 100 -9.270 8.409 -1.954 1.00 0.00 C ATOM 1599 O LEU A 100 -10.133 8.484 -1.102 1.00 0.00 O ATOM 1600 CB LEU A 100 -6.867 8.646 -1.360 1.00 0.00 C ATOM 1601 CG LEU A 100 -6.247 8.313 -0.003 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -5.325 9.458 0.417 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -7.346 8.146 1.050 1.00 0.00 C ATOM 0 H LEU A 100 -6.607 6.941 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.106 6.944 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.098 8.628 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.276 9.656 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.683 7.384 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.878 9.229 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.537 9.582 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.901 10.380 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.894 7.909 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.914 9.073 1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.014 7.337 0.754 1.00 0.00 H new ATOM 1615 N PRO A 101 -9.351 8.941 -3.137 1.00 0.00 N ATOM 1616 CA PRO A 101 -10.552 9.706 -3.538 1.00 0.00 C ATOM 1617 C PRO A 101 -11.803 8.815 -3.653 1.00 0.00 C ATOM 1618 O PRO A 101 -12.870 9.278 -4.005 1.00 0.00 O ATOM 1619 CB PRO A 101 -10.171 10.256 -4.909 1.00 0.00 C ATOM 1620 CG PRO A 101 -8.639 10.291 -4.980 1.00 0.00 C ATOM 1621 CD PRO A 101 -8.138 9.337 -3.901 1.00 0.00 C ATOM 0 HA PRO A 101 -10.812 10.471 -2.807 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.578 9.627 -5.701 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.585 11.254 -5.050 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.288 9.982 -5.965 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.265 11.301 -4.810 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.648 8.468 -4.340 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.407 9.822 -3.255 1.00 0.00 H new ATOM 1629 N LYS A 102 -11.677 7.546 -3.395 1.00 0.00 N ATOM 1630 CA LYS A 102 -12.811 6.645 -3.522 1.00 0.00 C ATOM 1631 C LYS A 102 -13.579 6.515 -2.203 1.00 0.00 C ATOM 1632 O LYS A 102 -14.794 6.510 -2.178 1.00 0.00 O ATOM 1633 CB LYS A 102 -12.271 5.266 -3.891 1.00 0.00 C ATOM 1634 CG LYS A 102 -13.382 4.221 -3.807 1.00 0.00 C ATOM 1635 CD LYS A 102 -13.223 3.213 -4.947 1.00 0.00 C ATOM 1636 CE LYS A 102 -14.327 3.429 -5.984 1.00 0.00 C ATOM 1637 NZ LYS A 102 -14.380 2.256 -6.902 1.00 0.00 N ATOM 0 H LYS A 102 -10.809 7.102 -3.096 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.488 7.040 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.858 5.288 -4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.456 4.995 -3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.341 3.708 -2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.357 4.705 -3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.245 3.329 -5.414 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.272 2.197 -4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.288 3.559 -5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.136 4.340 -6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.130 2.401 -7.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.465 2.152 -7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.582 1.395 -6.354 1.00 0.00 H new ATOM 1651 N PHE A 103 -12.880 6.347 -1.120 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.550 6.145 0.162 1.00 0.00 C ATOM 1653 C PHE A 103 -13.576 7.449 0.956 1.00 0.00 C ATOM 1654 O PHE A 103 -14.159 7.528 2.020 1.00 0.00 O ATOM 1655 CB PHE A 103 -12.824 5.047 0.973 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.419 4.913 0.455 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -11.197 4.214 -0.733 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -10.357 5.535 1.118 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -9.914 4.135 -1.264 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -9.064 5.447 0.593 1.00 0.00 C ATOM 1661 CZ PHE A 103 -8.842 4.751 -0.602 1.00 0.00 C ATOM 0 H PHE A 103 -11.861 6.343 -1.081 1.00 0.00 H new ATOM 0 HA PHE A 103 -14.576 5.827 -0.026 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -12.813 5.305 2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.352 4.098 0.881 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -12.022 3.735 -1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -10.535 6.082 2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.743 3.599 -2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.238 5.915 1.108 1.00 0.00 H new ATOM 0 HZ PHE A 103 -7.845 4.689 -1.014 1.00 0.00 H new