USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=14 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 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 :FLIP amide:sc= -14.1! C(o=-17!,f=-14!) 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= 1.06 K(o=1.1,f=-0.18) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 132:sc= -8.08! (180deg=-14.8!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.561 USER MOD Single : A 45 HIS :FLIP no HD1:sc= -8.09! C(o=-14!,f=-8.1!) USER MOD Single : A 46 MET CE :methyl -124:sc= -0.0247 (180deg=-1.63) USER MOD Single : A 47 TYR OH : rot 115:sc= -2.03 USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0326) USER MOD Single : A 52 CYS SG : rot 61:sc= -2.1! USER MOD Single : A 53 GLN : amide:sc= -3.96! C(o=-4!,f=-6.8!) 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 64 GLN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -6.71! C(o=-6.7!,f=-7.5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 79:sc= -2.43! USER MOD Single : A 76 ASN : amide:sc= -3.02! C(o=-3!,f=-13!) USER MOD Single : A 78 HIS : no HE2:sc= -17! C(o=-17!,f=-21!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN :FLIP amide:sc= -15.1! C(o=-22!,f=-15!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N VAL A 8 -9.018 -7.267 -7.550 1.00 0.00 N ATOM 97 CA VAL A 8 -7.999 -6.431 -6.950 1.00 0.00 C ATOM 98 C VAL A 8 -7.381 -5.527 -8.019 1.00 0.00 C ATOM 99 O VAL A 8 -7.447 -5.803 -9.200 1.00 0.00 O ATOM 100 CB VAL A 8 -6.915 -7.319 -6.327 1.00 0.00 C ATOM 101 CG1 VAL A 8 -7.576 -8.485 -5.589 1.00 0.00 C ATOM 102 CG2 VAL A 8 -6.002 -7.873 -7.426 1.00 0.00 C ATOM 0 HA VAL A 8 -8.446 -5.810 -6.174 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.324 -6.726 -5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.807 -9.118 -5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.225 -8.097 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.168 -9.072 -6.292 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.234 -8.503 -6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.593 -8.464 -8.126 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.529 -7.047 -7.957 1.00 0.00 H new ATOM 112 N LEU A 9 -6.840 -4.417 -7.606 1.00 0.00 N ATOM 113 CA LEU A 9 -6.298 -3.475 -8.574 1.00 0.00 C ATOM 114 C LEU A 9 -4.764 -3.599 -8.738 1.00 0.00 C ATOM 115 O LEU A 9 -4.256 -3.316 -9.805 1.00 0.00 O ATOM 116 CB LEU A 9 -6.640 -2.053 -8.122 1.00 0.00 C ATOM 117 CG LEU A 9 -5.846 -1.041 -8.952 1.00 0.00 C ATOM 118 CD1 LEU A 9 -6.228 -1.176 -10.427 1.00 0.00 C ATOM 119 CD2 LEU A 9 -6.166 0.376 -8.471 1.00 0.00 C ATOM 0 H LEU A 9 -6.757 -4.135 -6.629 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.746 -3.703 -9.541 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.709 -1.872 -8.236 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.408 -1.932 -7.064 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.780 -1.234 -8.834 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.662 -0.455 -11.017 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.000 -2.185 -10.771 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.294 -0.984 -10.546 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.601 1.097 -9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.233 0.568 -8.588 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.893 0.474 -7.420 1.00 0.00 H new ATOM 131 N LEU A 10 -4.001 -4.011 -7.753 1.00 0.00 N ATOM 132 CA LEU A 10 -2.571 -4.108 -7.997 1.00 0.00 C ATOM 133 C LEU A 10 -1.864 -4.659 -6.766 1.00 0.00 C ATOM 134 O LEU A 10 -2.239 -4.381 -5.652 1.00 0.00 O ATOM 135 CB LEU A 10 -2.014 -2.722 -8.330 1.00 0.00 C ATOM 136 CG LEU A 10 -0.485 -2.756 -8.288 1.00 0.00 C ATOM 137 CD1 LEU A 10 0.036 -3.642 -9.421 1.00 0.00 C ATOM 138 CD2 LEU A 10 0.060 -1.337 -8.461 1.00 0.00 C ATOM 0 H LEU A 10 -4.318 -4.273 -6.820 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.399 -4.783 -8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.353 -2.411 -9.318 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.391 -1.988 -7.618 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.156 -3.159 -7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.125 -3.667 -9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.353 -4.653 -9.301 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.292 -3.238 -10.379 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.149 -1.359 -8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.269 -0.935 -9.420 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.312 -0.704 -7.656 1.00 0.00 H new ATOM 150 N ILE A 11 -0.833 -5.433 -6.962 1.00 0.00 N ATOM 151 CA ILE A 11 -0.115 -5.979 -5.827 1.00 0.00 C ATOM 152 C ILE A 11 1.387 -5.952 -6.107 1.00 0.00 C ATOM 153 O ILE A 11 1.836 -6.217 -7.205 1.00 0.00 O ATOM 154 CB ILE A 11 -0.551 -7.428 -5.573 1.00 0.00 C ATOM 155 CG1 ILE A 11 0.547 -8.167 -4.776 1.00 0.00 C ATOM 156 CG2 ILE A 11 -0.792 -8.128 -6.914 1.00 0.00 C ATOM 157 CD1 ILE A 11 1.612 -8.728 -5.726 1.00 0.00 C ATOM 0 H ILE A 11 -0.470 -5.701 -7.877 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.339 -5.375 -4.948 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.474 -7.438 -4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.010 -7.484 -4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.103 -8.978 -4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.102 -9.158 -6.736 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.574 -7.603 -7.463 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.128 -8.122 -7.498 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.378 -9.246 -5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.147 -9.427 -6.421 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.069 -7.911 -6.284 1.00 0.00 H new ATOM 169 N VAL A 12 2.162 -5.656 -5.108 1.00 0.00 N ATOM 170 CA VAL A 12 3.592 -5.637 -5.286 1.00 0.00 C ATOM 171 C VAL A 12 4.219 -6.717 -4.396 1.00 0.00 C ATOM 172 O VAL A 12 4.353 -6.564 -3.198 1.00 0.00 O ATOM 173 CB VAL A 12 4.150 -4.265 -4.917 1.00 0.00 C ATOM 174 CG1 VAL A 12 4.034 -3.322 -6.117 1.00 0.00 C ATOM 175 CG2 VAL A 12 3.354 -3.692 -3.750 1.00 0.00 C ATOM 0 H VAL A 12 1.838 -5.426 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 12 3.833 -5.837 -6.330 1.00 0.00 H new ATOM 0 HB VAL A 12 5.198 -4.366 -4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.433 -2.343 -5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.600 -3.729 -6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.986 -3.222 -6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.751 -2.712 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.307 -3.594 -4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.434 -4.360 -2.892 1.00 0.00 H new ATOM 185 N LYS A 13 4.614 -7.800 -4.999 1.00 0.00 N ATOM 186 CA LYS A 13 5.240 -8.898 -4.278 1.00 0.00 C ATOM 187 C LYS A 13 6.453 -8.399 -3.510 1.00 0.00 C ATOM 188 O LYS A 13 6.939 -9.024 -2.590 1.00 0.00 O ATOM 189 CB LYS A 13 5.657 -9.967 -5.288 1.00 0.00 C ATOM 190 CG LYS A 13 7.058 -9.683 -5.849 1.00 0.00 C ATOM 191 CD LYS A 13 7.026 -8.398 -6.680 1.00 0.00 C ATOM 192 CE LYS A 13 7.918 -8.563 -7.911 1.00 0.00 C ATOM 193 NZ LYS A 13 7.277 -7.898 -9.081 1.00 0.00 N ATOM 0 H LYS A 13 4.517 -7.958 -6.002 1.00 0.00 H new ATOM 0 HA LYS A 13 4.535 -9.320 -3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.645 -10.947 -4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.935 -10.001 -6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.774 -9.583 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.391 -10.519 -6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.004 -8.176 -6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.369 -7.556 -6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.899 -8.127 -7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.074 -9.621 -8.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.883 -8.010 -9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.350 -8.334 -9.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.150 -6.886 -8.878 1.00 0.00 H new ATOM 207 N LYS A 14 6.937 -7.279 -3.891 1.00 0.00 N ATOM 208 CA LYS A 14 8.084 -6.728 -3.219 1.00 0.00 C ATOM 209 C LYS A 14 7.694 -5.438 -2.483 1.00 0.00 C ATOM 210 O LYS A 14 7.365 -4.442 -3.097 1.00 0.00 O ATOM 211 CB LYS A 14 9.166 -6.437 -4.256 1.00 0.00 C ATOM 212 CG LYS A 14 10.474 -7.107 -3.829 1.00 0.00 C ATOM 213 CD LYS A 14 10.261 -8.617 -3.709 1.00 0.00 C ATOM 214 CE LYS A 14 11.587 -9.341 -3.950 1.00 0.00 C ATOM 215 NZ LYS A 14 12.266 -9.581 -2.645 1.00 0.00 N ATOM 0 H LYS A 14 6.571 -6.716 -4.659 1.00 0.00 H new ATOM 0 HA LYS A 14 8.461 -7.441 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.857 -6.808 -5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.311 -5.361 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.257 -6.897 -4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.809 -6.700 -2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.875 -8.863 -2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.517 -8.949 -4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.409 -10.288 -4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.226 -8.744 -4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.168 -10.073 -2.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.448 -8.671 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.657 -10.167 -2.039 1.00 0.00 H new ATOM 229 N VAL A 15 7.837 -5.413 -1.178 1.00 0.00 N ATOM 230 CA VAL A 15 7.595 -4.173 -0.481 1.00 0.00 C ATOM 231 C VAL A 15 8.444 -4.127 0.770 1.00 0.00 C ATOM 232 O VAL A 15 8.739 -5.134 1.384 1.00 0.00 O ATOM 233 CB VAL A 15 6.110 -3.957 -0.197 1.00 0.00 C ATOM 234 CG1 VAL A 15 5.917 -2.972 0.964 1.00 0.00 C ATOM 235 CG2 VAL A 15 5.497 -3.354 -1.452 1.00 0.00 C ATOM 0 H VAL A 15 8.109 -6.205 -0.596 1.00 0.00 H new ATOM 0 HA VAL A 15 7.889 -3.342 -1.122 1.00 0.00 H new ATOM 0 HB VAL A 15 5.642 -4.904 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.852 -2.832 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.393 -3.369 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.369 -2.014 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.433 -3.183 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.987 -2.406 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.632 -4.040 -2.288 1.00 0.00 H new ATOM 245 N ARG A 16 8.836 -2.960 1.148 1.00 0.00 N ATOM 246 CA ARG A 16 9.642 -2.814 2.323 1.00 0.00 C ATOM 247 C ARG A 16 8.925 -1.880 3.259 1.00 0.00 C ATOM 248 O ARG A 16 8.263 -0.964 2.839 1.00 0.00 O ATOM 249 CB ARG A 16 11.001 -2.222 1.938 1.00 0.00 C ATOM 250 CG ARG A 16 11.693 -1.640 3.176 1.00 0.00 C ATOM 251 CD ARG A 16 13.186 -1.982 3.143 1.00 0.00 C ATOM 252 NE ARG A 16 13.359 -3.367 2.749 1.00 0.00 N ATOM 253 CZ ARG A 16 14.529 -3.801 2.362 1.00 0.00 C ATOM 254 NH1 ARG A 16 15.555 -2.992 2.334 1.00 0.00 N ATOM 255 NH2 ARG A 16 14.674 -5.047 2.002 1.00 0.00 N ATOM 0 H ARG A 16 8.615 -2.089 0.665 1.00 0.00 H new ATOM 0 HA ARG A 16 9.804 -3.779 2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.628 -2.993 1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.867 -1.443 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.559 -0.559 3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.238 -2.042 4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.704 -1.327 2.443 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.630 -1.814 4.124 1.00 0.00 H new ATOM 0 HE ARG A 16 12.564 -4.005 2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.444 -2.018 2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.467 -3.335 2.031 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.875 -5.680 2.023 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.587 -5.388 1.700 1.00 0.00 H new ATOM 269 N GLN A 17 9.051 -2.097 4.518 1.00 0.00 N ATOM 270 CA GLN A 17 8.409 -1.225 5.446 1.00 0.00 C ATOM 271 C GLN A 17 9.302 -1.192 6.676 1.00 0.00 C ATOM 272 O GLN A 17 9.840 -2.208 7.070 1.00 0.00 O ATOM 273 CB GLN A 17 6.998 -1.740 5.757 1.00 0.00 C ATOM 274 CG GLN A 17 7.020 -3.244 5.994 1.00 0.00 C ATOM 275 CD GLN A 17 5.652 -3.693 6.513 1.00 0.00 C ATOM 276 OE1 GLN A 17 5.026 -2.961 7.394 1.00 0.00 O flip ATOM 277 NE2 GLN A 17 5.145 -4.718 6.109 1.00 0.00 N flip ATOM 0 H GLN A 17 9.586 -2.861 4.931 1.00 0.00 H new ATOM 0 HA GLN A 17 8.281 -0.217 5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.605 -1.233 6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.328 -1.506 4.929 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.260 -3.766 5.068 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.797 -3.499 6.715 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.633 -5.291 5.421 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.231 -5.007 6.458 1.00 0.00 H new ATOM 286 N LYS A 18 9.565 -0.024 7.204 1.00 0.00 N ATOM 287 CA LYS A 18 10.507 0.096 8.310 1.00 0.00 C ATOM 288 C LYS A 18 10.395 -1.098 9.262 1.00 0.00 C ATOM 289 O LYS A 18 11.341 -1.433 9.946 1.00 0.00 O ATOM 290 CB LYS A 18 10.220 1.385 9.081 1.00 0.00 C ATOM 291 CG LYS A 18 11.509 2.200 9.211 1.00 0.00 C ATOM 292 CD LYS A 18 11.573 3.237 8.087 1.00 0.00 C ATOM 293 CE LYS A 18 12.357 2.662 6.906 1.00 0.00 C ATOM 294 NZ LYS A 18 13.810 2.928 7.098 1.00 0.00 N ATOM 0 H LYS A 18 9.150 0.855 6.896 1.00 0.00 H new ATOM 0 HA LYS A 18 11.517 0.117 7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.459 1.969 8.564 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.825 1.150 10.069 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.542 2.697 10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.375 1.540 9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.566 3.509 7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.051 4.148 8.446 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.180 1.589 6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.014 3.112 5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.343 2.537 6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.971 3.954 7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.132 2.479 7.979 1.00 0.00 H new ATOM 308 N LYS A 19 9.282 -1.770 9.298 1.00 0.00 N ATOM 309 CA LYS A 19 9.188 -2.917 10.161 1.00 0.00 C ATOM 310 C LYS A 19 9.870 -4.136 9.503 1.00 0.00 C ATOM 311 O LYS A 19 10.695 -4.800 10.099 1.00 0.00 O ATOM 312 CB LYS A 19 7.693 -3.236 10.451 1.00 0.00 C ATOM 313 CG LYS A 19 7.013 -3.992 9.275 1.00 0.00 C ATOM 314 CD LYS A 19 5.556 -4.302 9.622 1.00 0.00 C ATOM 315 CE LYS A 19 5.503 -5.197 10.862 1.00 0.00 C ATOM 316 NZ LYS A 19 4.861 -4.455 11.983 1.00 0.00 N ATOM 0 H LYS A 19 8.445 -1.554 8.756 1.00 0.00 H new ATOM 0 HA LYS A 19 9.696 -2.697 11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.621 -3.838 11.357 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.156 -2.307 10.642 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.059 -3.388 8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.551 -4.917 9.068 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.010 -3.376 9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.069 -4.798 8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.941 -6.105 10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.510 -5.505 11.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.825 -5.063 12.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.414 -3.601 12.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.895 -4.183 11.711 1.00 0.00 H new ATOM 330 N GLN A 20 9.451 -4.468 8.316 1.00 0.00 N ATOM 331 CA GLN A 20 9.926 -5.648 7.629 1.00 0.00 C ATOM 332 C GLN A 20 9.856 -5.444 6.130 1.00 0.00 C ATOM 333 O GLN A 20 9.214 -4.536 5.642 1.00 0.00 O ATOM 334 CB GLN A 20 9.052 -6.840 7.986 1.00 0.00 C ATOM 335 CG GLN A 20 9.296 -7.214 9.434 1.00 0.00 C ATOM 336 CD GLN A 20 10.634 -7.944 9.561 1.00 0.00 C ATOM 337 OE1 GLN A 20 10.744 -9.101 9.207 1.00 0.00 O ATOM 338 NE2 GLN A 20 11.663 -7.311 10.053 1.00 0.00 N ATOM 0 H GLN A 20 8.765 -3.928 7.789 1.00 0.00 H new ATOM 0 HA GLN A 20 10.957 -5.829 7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.001 -6.596 7.832 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.282 -7.684 7.335 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.299 -6.318 10.055 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.488 -7.850 9.796 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.570 -6.340 10.350 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.561 -7.787 10.141 1.00 0.00 H new ATOM 347 N ASP A 21 10.452 -6.318 5.389 1.00 0.00 N ATOM 348 CA ASP A 21 10.345 -6.204 3.960 1.00 0.00 C ATOM 349 C ASP A 21 9.384 -7.329 3.627 1.00 0.00 C ATOM 350 O ASP A 21 9.523 -8.449 4.078 1.00 0.00 O ATOM 351 CB ASP A 21 11.697 -6.424 3.271 1.00 0.00 C ATOM 352 CG ASP A 21 12.816 -5.849 4.141 1.00 0.00 C ATOM 353 OD1 ASP A 21 12.557 -4.887 4.845 1.00 0.00 O ATOM 354 OD2 ASP A 21 13.913 -6.380 4.087 1.00 0.00 O ATOM 0 H ASP A 21 11.007 -7.103 5.731 1.00 0.00 H new ATOM 0 HA ASP A 21 10.016 -5.219 3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.863 -7.488 3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.700 -5.944 2.292 1.00 0.00 H new ATOM 359 N GLY A 22 8.360 -7.003 2.897 1.00 0.00 N ATOM 360 CA GLY A 22 7.348 -7.983 2.602 1.00 0.00 C ATOM 361 C GLY A 22 6.502 -7.564 1.408 1.00 0.00 C ATOM 362 O GLY A 22 6.601 -6.454 0.915 1.00 0.00 O ATOM 0 H GLY A 22 8.200 -6.078 2.497 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.819 -8.944 2.397 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.708 -8.121 3.473 1.00 0.00 H new ATOM 366 N ALA A 23 5.754 -8.484 0.874 1.00 0.00 N ATOM 367 CA ALA A 23 4.981 -8.202 -0.304 1.00 0.00 C ATOM 368 C ALA A 23 3.649 -7.549 0.055 1.00 0.00 C ATOM 369 O ALA A 23 2.947 -7.928 0.967 1.00 0.00 O ATOM 370 CB ALA A 23 4.688 -9.519 -1.021 1.00 0.00 C ATOM 0 H ALA A 23 5.661 -9.434 1.233 1.00 0.00 H new ATOM 0 HA ALA A 23 5.550 -7.521 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.101 -9.322 -1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.627 -9.999 -1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.127 -10.177 -0.358 1.00 0.00 H new ATOM 376 N LEU A 24 3.388 -6.498 -0.648 1.00 0.00 N ATOM 377 CA LEU A 24 2.215 -5.694 -0.387 1.00 0.00 C ATOM 378 C LEU A 24 1.207 -5.928 -1.511 1.00 0.00 C ATOM 379 O LEU A 24 1.543 -5.982 -2.674 1.00 0.00 O ATOM 380 CB LEU A 24 2.639 -4.221 -0.362 1.00 0.00 C ATOM 381 CG LEU A 24 2.406 -3.604 1.006 1.00 0.00 C ATOM 382 CD1 LEU A 24 2.497 -2.085 0.866 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.025 -3.980 1.532 1.00 0.00 C ATOM 0 H LEU A 24 3.969 -6.164 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 24 1.761 -5.961 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.693 -4.139 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.078 -3.666 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 24 3.155 -3.973 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.333 -1.620 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.485 -1.812 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.738 -1.738 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.874 -3.530 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.262 -3.615 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.950 -5.064 1.615 1.00 0.00 H new ATOM 395 N TYR A 25 -0.033 -6.104 -1.142 1.00 0.00 N ATOM 396 CA TYR A 25 -1.080 -6.374 -2.110 1.00 0.00 C ATOM 397 C TYR A 25 -2.072 -5.221 -2.097 1.00 0.00 C ATOM 398 O TYR A 25 -2.474 -4.771 -1.045 1.00 0.00 O ATOM 399 CB TYR A 25 -1.845 -7.627 -1.668 1.00 0.00 C ATOM 400 CG TYR A 25 -1.356 -8.855 -2.389 1.00 0.00 C ATOM 401 CD1 TYR A 25 -0.237 -9.546 -1.912 1.00 0.00 C ATOM 402 CD2 TYR A 25 -2.043 -9.319 -3.516 1.00 0.00 C ATOM 403 CE1 TYR A 25 0.201 -10.705 -2.562 1.00 0.00 C ATOM 404 CE2 TYR A 25 -1.605 -10.477 -4.173 1.00 0.00 C ATOM 405 CZ TYR A 25 -0.483 -11.172 -3.694 1.00 0.00 C ATOM 406 OH TYR A 25 -0.053 -12.314 -4.336 1.00 0.00 O ATOM 0 H TYR A 25 -0.352 -6.066 -0.174 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.639 -6.504 -3.098 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.729 -7.765 -0.593 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.909 -7.491 -1.859 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.289 -9.184 -1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.909 -8.786 -3.879 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.064 -11.239 -2.193 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.130 -10.834 -5.047 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.638 -12.500 -5.100 1.00 0.00 H new ATOM 416 N LEU A 26 -2.515 -4.745 -3.222 1.00 0.00 N ATOM 417 CA LEU A 26 -3.489 -3.680 -3.204 1.00 0.00 C ATOM 418 C LEU A 26 -4.787 -4.261 -3.761 1.00 0.00 C ATOM 419 O LEU A 26 -4.796 -4.897 -4.805 1.00 0.00 O ATOM 420 CB LEU A 26 -3.019 -2.519 -4.083 1.00 0.00 C ATOM 421 CG LEU A 26 -3.570 -1.203 -3.533 1.00 0.00 C ATOM 422 CD1 LEU A 26 -3.098 -0.047 -4.415 1.00 0.00 C ATOM 423 CD2 LEU A 26 -5.100 -1.248 -3.534 1.00 0.00 C ATOM 0 H LEU A 26 -2.230 -5.064 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.629 -3.298 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.930 -2.487 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.357 -2.666 -5.109 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.211 -1.057 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.490 0.892 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.009 -0.013 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.459 -0.195 -5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.492 -0.310 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.459 -1.394 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.440 -2.073 -2.908 1.00 0.00 H new ATOM 435 N MET A 27 -5.878 -4.035 -3.094 1.00 0.00 N ATOM 436 CA MET A 27 -7.140 -4.551 -3.565 1.00 0.00 C ATOM 437 C MET A 27 -8.100 -3.386 -3.746 1.00 0.00 C ATOM 438 O MET A 27 -7.980 -2.371 -3.087 1.00 0.00 O ATOM 439 CB MET A 27 -7.701 -5.530 -2.535 1.00 0.00 C ATOM 440 CG MET A 27 -9.127 -5.931 -2.918 1.00 0.00 C ATOM 441 SD MET A 27 -9.351 -7.714 -2.667 1.00 0.00 S ATOM 442 CE MET A 27 -8.323 -7.896 -1.188 1.00 0.00 C ATOM 0 H MET A 27 -5.927 -3.501 -2.226 1.00 0.00 H new ATOM 0 HA MET A 27 -7.007 -5.071 -4.514 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.068 -6.415 -2.480 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.696 -5.072 -1.546 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.845 -5.376 -2.314 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.320 -5.674 -3.960 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.867 -8.467 -0.435 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.403 -8.420 -1.447 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.080 -6.911 -0.791 1.00 0.00 H new ATOM 452 N ALA A 28 -9.039 -3.523 -4.640 1.00 0.00 N ATOM 453 CA ALA A 28 -9.981 -2.453 -4.893 1.00 0.00 C ATOM 454 C ALA A 28 -10.341 -1.725 -3.597 1.00 0.00 C ATOM 455 O ALA A 28 -10.232 -0.517 -3.521 1.00 0.00 O ATOM 456 CB ALA A 28 -11.250 -3.040 -5.521 1.00 0.00 C ATOM 0 H ALA A 28 -9.178 -4.359 -5.207 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.523 -1.735 -5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.964 -2.240 -5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.997 -3.535 -6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.693 -3.764 -4.837 1.00 0.00 H new ATOM 462 N GLU A 29 -10.806 -2.410 -2.591 1.00 0.00 N ATOM 463 CA GLU A 29 -11.192 -1.714 -1.383 1.00 0.00 C ATOM 464 C GLU A 29 -10.166 -1.891 -0.252 1.00 0.00 C ATOM 465 O GLU A 29 -10.364 -1.372 0.826 1.00 0.00 O ATOM 466 CB GLU A 29 -12.537 -2.287 -0.931 1.00 0.00 C ATOM 467 CG GLU A 29 -12.861 -1.844 0.502 1.00 0.00 C ATOM 468 CD GLU A 29 -14.369 -1.624 0.637 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.896 -0.808 -0.101 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.970 -2.275 1.475 1.00 0.00 O ATOM 0 H GLU A 29 -10.927 -3.423 -2.574 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.253 -0.647 -1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.325 -1.955 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.510 -3.375 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.528 -2.600 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.325 -0.925 0.740 1.00 0.00 H new ATOM 477 N ARG A 30 -9.087 -2.612 -0.425 1.00 0.00 N ATOM 478 CA ARG A 30 -8.193 -2.738 0.720 1.00 0.00 C ATOM 479 C ARG A 30 -6.754 -3.041 0.333 1.00 0.00 C ATOM 480 O ARG A 30 -6.451 -3.474 -0.754 1.00 0.00 O ATOM 481 CB ARG A 30 -8.703 -3.838 1.658 1.00 0.00 C ATOM 482 CG ARG A 30 -8.256 -5.219 1.187 1.00 0.00 C ATOM 483 CD ARG A 30 -9.486 -6.105 0.999 1.00 0.00 C ATOM 484 NE ARG A 30 -10.229 -5.641 -0.158 1.00 0.00 N ATOM 485 CZ ARG A 30 -11.181 -6.378 -0.668 1.00 0.00 C ATOM 486 NH1 ARG A 30 -11.455 -7.547 -0.153 1.00 0.00 N ATOM 487 NH2 ARG A 30 -11.859 -5.948 -1.698 1.00 0.00 N ATOM 0 H ARG A 30 -8.810 -3.094 -1.280 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.194 -1.769 1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.333 -3.658 2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.791 -3.802 1.706 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.705 -5.137 0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.580 -5.664 1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.185 -7.143 0.861 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.115 -6.071 1.889 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.008 -4.737 -0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.926 -7.887 0.650 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.198 -8.119 -0.554 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.646 -5.037 -2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.602 -6.523 -2.096 1.00 0.00 H new ATOM 501 N ILE A 31 -5.872 -2.815 1.265 1.00 0.00 N ATOM 502 CA ILE A 31 -4.464 -3.074 1.036 1.00 0.00 C ATOM 503 C ILE A 31 -4.052 -4.290 1.876 1.00 0.00 C ATOM 504 O ILE A 31 -4.359 -4.377 3.045 1.00 0.00 O ATOM 505 CB ILE A 31 -3.645 -1.831 1.426 1.00 0.00 C ATOM 506 CG1 ILE A 31 -3.558 -0.899 0.210 1.00 0.00 C ATOM 507 CG2 ILE A 31 -2.231 -2.243 1.861 1.00 0.00 C ATOM 508 CD1 ILE A 31 -2.399 0.084 0.384 1.00 0.00 C ATOM 0 H ILE A 31 -6.095 -2.452 2.192 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.277 -3.287 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.130 -1.320 2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.415 -1.485 -0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.494 -0.353 0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.661 -1.355 2.134 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.295 -2.912 2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.732 -2.755 1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.346 0.741 -0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.560 0.681 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.464 -0.469 0.479 1.00 0.00 H new ATOM 520 N ALA A 32 -3.373 -5.233 1.279 1.00 0.00 N ATOM 521 CA ALA A 32 -2.968 -6.423 2.010 1.00 0.00 C ATOM 522 C ALA A 32 -1.459 -6.507 2.105 1.00 0.00 C ATOM 523 O ALA A 32 -0.732 -5.892 1.350 1.00 0.00 O ATOM 524 CB ALA A 32 -3.503 -7.667 1.298 1.00 0.00 C ATOM 0 H ALA A 32 -3.087 -5.210 0.300 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.378 -6.367 3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.199 -8.559 1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.591 -7.621 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.100 -7.708 0.286 1.00 0.00 H new ATOM 530 N TRP A 33 -0.985 -7.280 3.036 1.00 0.00 N ATOM 531 CA TRP A 33 0.440 -7.416 3.183 1.00 0.00 C ATOM 532 C TRP A 33 0.826 -8.865 3.404 1.00 0.00 C ATOM 533 O TRP A 33 0.132 -9.632 4.040 1.00 0.00 O ATOM 534 CB TRP A 33 0.953 -6.607 4.361 1.00 0.00 C ATOM 535 CG TRP A 33 2.434 -6.679 4.338 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.182 -6.465 3.236 1.00 0.00 C ATOM 537 CD2 TRP A 33 3.376 -7.011 5.408 1.00 0.00 C ATOM 538 NE1 TRP A 33 4.508 -6.558 3.587 1.00 0.00 N ATOM 539 CE2 TRP A 33 4.680 -6.916 4.882 1.00 0.00 C ATOM 540 CE3 TRP A 33 3.245 -7.363 6.764 1.00 0.00 C ATOM 541 CZ2 TRP A 33 5.809 -7.151 5.639 1.00 0.00 C ATOM 542 CZ3 TRP A 33 4.391 -7.619 7.541 1.00 0.00 C ATOM 543 CH2 TRP A 33 5.672 -7.509 6.973 1.00 0.00 C ATOM 0 H TRP A 33 -1.548 -7.818 3.695 1.00 0.00 H new ATOM 0 HA TRP A 33 0.888 -7.046 2.261 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.618 -5.572 4.291 1.00 0.00 H new ATOM 0 HB3 TRP A 33 0.564 -7.005 5.298 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.804 -6.256 2.246 1.00 0.00 H new ATOM 0 HE1 TRP A 33 5.278 -6.377 2.943 1.00 0.00 H new ATOM 0 HE3 TRP A 33 2.264 -7.437 7.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 6.790 -7.057 5.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.285 -7.901 8.578 1.00 0.00 H new ATOM 0 HH2 TRP A 33 6.548 -7.703 7.574 1.00 0.00 H new ATOM 554 N ALA A 34 1.950 -9.225 2.883 1.00 0.00 N ATOM 555 CA ALA A 34 2.433 -10.573 3.042 1.00 0.00 C ATOM 556 C ALA A 34 3.961 -10.582 3.014 1.00 0.00 C ATOM 557 O ALA A 34 4.565 -10.447 1.970 1.00 0.00 O ATOM 558 CB ALA A 34 1.877 -11.430 1.927 1.00 0.00 C ATOM 0 H ALA A 34 2.559 -8.611 2.341 1.00 0.00 H new ATOM 0 HA ALA A 34 2.104 -10.975 4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.238 -12.452 2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.788 -11.422 1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.204 -11.034 0.966 1.00 0.00 H new ATOM 564 N PRO A 35 4.532 -10.741 4.176 1.00 0.00 N ATOM 565 CA PRO A 35 6.008 -10.758 4.262 1.00 0.00 C ATOM 566 C PRO A 35 6.568 -12.038 3.641 1.00 0.00 C ATOM 567 O PRO A 35 5.860 -13.001 3.422 1.00 0.00 O ATOM 568 CB PRO A 35 6.333 -10.713 5.760 1.00 0.00 C ATOM 569 CG PRO A 35 4.996 -10.736 6.530 1.00 0.00 C ATOM 570 CD PRO A 35 3.864 -10.729 5.494 1.00 0.00 C ATOM 0 HA PRO A 35 6.450 -9.920 3.723 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.952 -11.564 6.043 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.898 -9.813 6.002 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.932 -11.623 7.161 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.918 -9.871 7.188 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.218 -11.598 5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.235 -9.846 5.607 1.00 0.00 H new ATOM 678 N THR A 42 -0.827 -11.948 5.042 1.00 0.00 N ATOM 679 CA THR A 42 -0.606 -11.530 6.411 1.00 0.00 C ATOM 680 C THR A 42 -1.726 -10.562 6.851 1.00 0.00 C ATOM 681 O THR A 42 -2.271 -10.684 7.931 1.00 0.00 O ATOM 682 CB THR A 42 0.809 -10.900 6.519 1.00 0.00 C ATOM 683 OG1 THR A 42 1.448 -11.403 7.683 1.00 0.00 O ATOM 684 CG2 THR A 42 0.782 -9.365 6.595 1.00 0.00 C ATOM 0 HA THR A 42 -0.644 -12.383 7.088 1.00 0.00 H new ATOM 0 HB THR A 42 1.352 -11.170 5.613 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.343 -11.012 7.759 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.801 -8.986 6.669 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.310 -8.965 5.698 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.215 -9.054 7.472 1.00 0.00 H new ATOM 692 N ILE A 43 -2.051 -9.594 6.039 1.00 0.00 N ATOM 693 CA ILE A 43 -3.089 -8.649 6.446 1.00 0.00 C ATOM 694 C ILE A 43 -3.852 -8.074 5.257 1.00 0.00 C ATOM 695 O ILE A 43 -3.555 -8.347 4.109 1.00 0.00 O ATOM 696 CB ILE A 43 -2.471 -7.509 7.255 1.00 0.00 C ATOM 697 CG1 ILE A 43 -1.300 -6.915 6.483 1.00 0.00 C ATOM 698 CG2 ILE A 43 -1.974 -8.047 8.598 1.00 0.00 C ATOM 699 CD1 ILE A 43 -1.262 -5.401 6.688 1.00 0.00 C ATOM 0 H ILE A 43 -1.638 -9.429 5.121 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.801 -9.201 7.059 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.222 -6.738 7.427 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.365 -7.361 6.822 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.397 -7.146 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.533 -7.234 9.175 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.811 -8.473 9.152 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.223 -8.818 8.426 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.423 -4.980 6.134 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.192 -4.962 6.327 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.144 -5.180 7.749 1.00 0.00 H new ATOM 711 N SER A 44 -4.834 -7.253 5.549 1.00 0.00 N ATOM 712 CA SER A 44 -5.637 -6.624 4.523 1.00 0.00 C ATOM 713 C SER A 44 -6.479 -5.537 5.206 1.00 0.00 C ATOM 714 O SER A 44 -7.323 -5.830 6.029 1.00 0.00 O ATOM 715 CB SER A 44 -6.556 -7.659 3.875 1.00 0.00 C ATOM 716 OG SER A 44 -6.305 -8.935 4.451 1.00 0.00 O ATOM 0 H SER A 44 -5.099 -7.002 6.501 1.00 0.00 H new ATOM 0 HA SER A 44 -5.004 -6.194 3.746 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.599 -7.379 4.022 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.384 -7.692 2.799 1.00 0.00 H new ATOM 0 HG SER A 44 -6.894 -9.601 4.039 1.00 0.00 H new ATOM 722 N HIS A 45 -6.251 -4.287 4.896 1.00 0.00 N ATOM 723 CA HIS A 45 -7.020 -3.234 5.549 1.00 0.00 C ATOM 724 C HIS A 45 -7.992 -2.607 4.558 1.00 0.00 C ATOM 725 O HIS A 45 -7.595 -2.050 3.551 1.00 0.00 O ATOM 726 CB HIS A 45 -6.113 -2.118 6.066 1.00 0.00 C ATOM 727 CG HIS A 45 -4.660 -2.459 5.889 1.00 0.00 C ATOM 728 ND1 HIS A 45 -3.873 -2.548 4.772 1.00 0.00 N flip ATOM 729 CD2 HIS A 45 -3.824 -2.714 6.964 1.00 0.00 C flip ATOM 730 CE1 HIS A 45 -2.567 -2.853 5.141 1.00 0.00 C flip ATOM 731 NE2 HIS A 45 -2.593 -2.940 6.474 1.00 0.00 N flip ATOM 0 H HIS A 45 -5.561 -3.968 4.216 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.550 -3.695 6.383 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.337 -1.192 5.537 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.320 -1.940 7.121 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.109 -2.729 8.006 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.716 -2.990 4.491 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -1.778 -3.152 7.050 1.00 0.00 H new ATOM 739 N MET A 46 -9.261 -2.675 4.848 1.00 0.00 N ATOM 740 CA MET A 46 -10.242 -2.094 3.961 1.00 0.00 C ATOM 741 C MET A 46 -10.069 -0.577 3.929 1.00 0.00 C ATOM 742 O MET A 46 -10.419 0.113 4.851 1.00 0.00 O ATOM 743 CB MET A 46 -11.646 -2.442 4.452 1.00 0.00 C ATOM 744 CG MET A 46 -12.247 -3.524 3.554 1.00 0.00 C ATOM 745 SD MET A 46 -12.056 -5.140 4.346 1.00 0.00 S ATOM 746 CE MET A 46 -13.389 -4.959 5.557 1.00 0.00 C ATOM 0 H MET A 46 -9.643 -3.121 5.682 1.00 0.00 H new ATOM 0 HA MET A 46 -10.103 -2.493 2.956 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.606 -2.792 5.484 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.277 -1.553 4.441 1.00 0.00 H new ATOM 0 HG2 MET A 46 -13.302 -3.318 3.374 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.752 -3.522 2.583 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.992 -5.110 6.561 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.815 -3.959 5.482 1.00 0.00 H new ATOM 0 HE3 MET A 46 -14.164 -5.700 5.359 1.00 0.00 H new ATOM 756 N TYR A 47 -9.504 -0.088 2.866 1.00 0.00 N ATOM 757 CA TYR A 47 -9.251 1.335 2.698 1.00 0.00 C ATOM 758 C TYR A 47 -10.278 2.203 3.455 1.00 0.00 C ATOM 759 O TYR A 47 -9.916 3.184 4.073 1.00 0.00 O ATOM 760 CB TYR A 47 -9.325 1.656 1.197 1.00 0.00 C ATOM 761 CG TYR A 47 -7.947 1.639 0.544 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.761 1.673 1.308 1.00 0.00 C ATOM 763 CD2 TYR A 47 -7.858 1.606 -0.858 1.00 0.00 C ATOM 764 CE1 TYR A 47 -5.518 1.675 0.670 1.00 0.00 C ATOM 765 CE2 TYR A 47 -6.614 1.604 -1.481 1.00 0.00 C ATOM 766 CZ TYR A 47 -5.445 1.641 -0.722 1.00 0.00 C ATOM 767 OH TYR A 47 -4.216 1.641 -1.348 1.00 0.00 O ATOM 0 H TYR A 47 -9.199 -0.659 2.078 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.268 1.564 3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.970 0.931 0.702 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.781 2.636 1.057 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.814 1.697 2.386 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.758 1.582 -1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.612 1.703 1.256 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.553 1.574 -2.559 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.090 0.793 -1.822 1.00 0.00 H new ATOM 777 N ALA A 48 -11.541 1.864 3.443 1.00 0.00 N ATOM 778 CA ALA A 48 -12.504 2.689 4.167 1.00 0.00 C ATOM 779 C ALA A 48 -12.221 2.578 5.671 1.00 0.00 C ATOM 780 O ALA A 48 -12.142 3.560 6.380 1.00 0.00 O ATOM 781 CB ALA A 48 -13.923 2.213 3.853 1.00 0.00 C ATOM 0 H ALA A 48 -11.929 1.053 2.961 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.412 3.731 3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.641 2.829 4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.106 2.297 2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.034 1.173 4.159 1.00 0.00 H new ATOM 787 N ASP A 49 -12.025 1.380 6.135 1.00 0.00 N ATOM 788 CA ASP A 49 -11.701 1.169 7.536 1.00 0.00 C ATOM 789 C ASP A 49 -10.368 1.862 7.840 1.00 0.00 C ATOM 790 O ASP A 49 -9.988 2.031 8.982 1.00 0.00 O ATOM 791 CB ASP A 49 -11.573 -0.328 7.819 1.00 0.00 C ATOM 792 CG ASP A 49 -12.917 -1.013 7.565 1.00 0.00 C ATOM 793 OD1 ASP A 49 -13.934 -0.406 7.857 1.00 0.00 O ATOM 794 OD2 ASP A 49 -12.906 -2.134 7.082 1.00 0.00 O ATOM 0 H ASP A 49 -12.081 0.529 5.575 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.491 1.582 8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.804 -0.765 7.182 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.261 -0.488 8.851 1.00 0.00 H new ATOM 799 N ILE A 50 -9.661 2.270 6.818 1.00 0.00 N ATOM 800 CA ILE A 50 -8.396 2.940 7.031 1.00 0.00 C ATOM 801 C ILE A 50 -8.546 4.408 6.615 1.00 0.00 C ATOM 802 O ILE A 50 -8.795 4.679 5.457 1.00 0.00 O ATOM 803 CB ILE A 50 -7.293 2.305 6.163 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.786 1.012 5.511 1.00 0.00 C ATOM 805 CG2 ILE A 50 -6.089 1.983 7.035 1.00 0.00 C ATOM 806 CD1 ILE A 50 -8.026 -0.045 6.591 1.00 0.00 C ATOM 0 H ILE A 50 -9.931 2.154 5.841 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.122 2.852 8.082 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.022 3.014 5.381 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.707 1.199 4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.051 0.652 4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.307 1.533 6.423 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.713 2.900 7.489 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.383 1.285 7.818 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.377 -0.966 6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.095 -0.239 7.123 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.777 0.317 7.293 1.00 0.00 H new ATOM 818 N LYS A 51 -8.377 5.382 7.488 1.00 0.00 N ATOM 819 CA LYS A 51 -8.505 6.731 6.973 1.00 0.00 C ATOM 820 C LYS A 51 -7.437 7.658 7.529 1.00 0.00 C ATOM 821 O LYS A 51 -7.532 8.183 8.620 1.00 0.00 O ATOM 822 CB LYS A 51 -9.853 7.325 7.354 1.00 0.00 C ATOM 823 CG LYS A 51 -9.880 8.773 6.857 1.00 0.00 C ATOM 824 CD LYS A 51 -9.454 8.818 5.388 1.00 0.00 C ATOM 825 CE LYS A 51 -9.938 10.123 4.755 1.00 0.00 C ATOM 826 NZ LYS A 51 -9.186 11.269 5.340 1.00 0.00 N ATOM 0 H LYS A 51 -8.167 5.283 8.481 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.399 6.653 5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.664 6.751 6.906 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.996 7.288 8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.882 9.188 6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.211 9.388 7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.369 8.745 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.870 7.965 4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.792 10.092 3.675 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.007 10.249 4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.416 12.138 4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.452 11.385 6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.165 11.085 5.273 1.00 0.00 H new ATOM 840 N CYS A 52 -6.472 7.914 6.720 1.00 0.00 N ATOM 841 CA CYS A 52 -5.429 8.840 7.042 1.00 0.00 C ATOM 842 C CYS A 52 -4.388 8.725 5.953 1.00 0.00 C ATOM 843 O CYS A 52 -3.958 7.635 5.655 1.00 0.00 O ATOM 844 CB CYS A 52 -4.817 8.502 8.368 1.00 0.00 C ATOM 845 SG CYS A 52 -5.445 9.630 9.639 1.00 0.00 S ATOM 0 H CYS A 52 -6.377 7.483 5.800 1.00 0.00 H new ATOM 0 HA CYS A 52 -5.823 9.854 7.107 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.052 7.472 8.635 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.731 8.576 8.307 1.00 0.00 H new ATOM 0 HG CYS A 52 -6.734 9.495 9.741 1.00 0.00 H new ATOM 851 N GLN A 53 -4.016 9.772 5.315 1.00 0.00 N ATOM 852 CA GLN A 53 -3.070 9.581 4.235 1.00 0.00 C ATOM 853 C GLN A 53 -2.063 10.713 4.169 1.00 0.00 C ATOM 854 O GLN A 53 -2.379 11.881 4.063 1.00 0.00 O ATOM 855 CB GLN A 53 -3.823 9.502 2.906 1.00 0.00 C ATOM 856 CG GLN A 53 -4.417 8.102 2.736 1.00 0.00 C ATOM 857 CD GLN A 53 -3.879 7.467 1.453 1.00 0.00 C ATOM 858 OE1 GLN A 53 -3.020 8.024 0.799 1.00 0.00 O ATOM 859 NE2 GLN A 53 -4.351 6.314 1.062 1.00 0.00 N ATOM 0 H GLN A 53 -4.321 10.729 5.493 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.530 8.653 4.422 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.615 10.250 2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.148 9.724 2.080 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.162 7.481 3.595 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.505 8.160 2.696 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.072 5.846 1.611 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.998 5.882 0.208 1.00 0.00 H new ATOM 868 N LYS A 54 -0.827 10.312 4.263 1.00 0.00 N ATOM 869 CA LYS A 54 0.284 11.227 4.248 1.00 0.00 C ATOM 870 C LYS A 54 1.325 10.697 3.251 1.00 0.00 C ATOM 871 O LYS A 54 1.920 9.659 3.464 1.00 0.00 O ATOM 872 CB LYS A 54 0.867 11.262 5.673 1.00 0.00 C ATOM 873 CG LYS A 54 2.396 11.385 5.644 1.00 0.00 C ATOM 874 CD LYS A 54 2.867 12.198 6.851 1.00 0.00 C ATOM 875 CE LYS A 54 4.394 12.280 6.847 1.00 0.00 C ATOM 876 NZ LYS A 54 4.830 13.450 7.661 1.00 0.00 N ATOM 0 H LYS A 54 -0.557 9.332 4.353 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.014 12.231 3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.442 12.102 6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.582 10.356 6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.851 10.395 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.715 11.868 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.438 13.200 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.520 11.733 7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.819 11.362 7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.761 12.377 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.868 13.507 7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.435 14.322 7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.491 13.339 8.638 1.00 0.00 H new ATOM 988 N LYS A 62 12.862 6.692 -1.334 1.00 0.00 N ATOM 989 CA LYS A 62 12.234 6.281 -2.566 1.00 0.00 C ATOM 990 C LYS A 62 10.740 6.539 -2.489 1.00 0.00 C ATOM 991 O LYS A 62 10.195 7.404 -3.145 1.00 0.00 O ATOM 992 CB LYS A 62 12.484 4.793 -2.868 1.00 0.00 C ATOM 993 CG LYS A 62 12.784 4.033 -1.581 1.00 0.00 C ATOM 994 CD LYS A 62 14.222 3.519 -1.602 1.00 0.00 C ATOM 995 CE LYS A 62 14.363 2.437 -2.674 1.00 0.00 C ATOM 996 NZ LYS A 62 15.806 2.229 -2.984 1.00 0.00 N ATOM 0 HA LYS A 62 12.675 6.865 -3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.610 4.363 -3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.319 4.691 -3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.635 4.685 -0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.092 3.198 -1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.910 4.340 -1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.489 3.115 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.917 1.505 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.825 2.731 -3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.902 1.493 -3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.218 3.118 -3.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.307 1.930 -2.123 1.00 0.00 H new ATOM 1010 N ILE A 63 10.083 5.723 -1.750 1.00 0.00 N ATOM 1011 CA ILE A 63 8.638 5.825 -1.684 1.00 0.00 C ATOM 1012 C ILE A 63 8.033 5.189 -0.421 1.00 0.00 C ATOM 1013 O ILE A 63 7.568 4.072 -0.435 1.00 0.00 O ATOM 1014 CB ILE A 63 8.056 5.232 -2.968 1.00 0.00 C ATOM 1015 CG1 ILE A 63 6.626 4.722 -2.746 1.00 0.00 C ATOM 1016 CG2 ILE A 63 8.945 4.079 -3.457 1.00 0.00 C ATOM 1017 CD1 ILE A 63 5.749 5.139 -3.928 1.00 0.00 C ATOM 0 H ILE A 63 10.496 4.982 -1.184 1.00 0.00 H new ATOM 0 HA ILE A 63 8.369 6.878 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 63 8.025 6.019 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.627 3.637 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.223 5.129 -1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.526 3.660 -4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.949 4.453 -3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.991 3.305 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.733 4.778 -3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.739 6.226 -4.008 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.149 4.711 -4.847 1.00 0.00 H new ATOM 1029 N GLN A 64 8.004 5.920 0.660 1.00 0.00 N ATOM 1030 CA GLN A 64 7.405 5.402 1.880 1.00 0.00 C ATOM 1031 C GLN A 64 6.095 6.162 2.112 1.00 0.00 C ATOM 1032 O GLN A 64 6.054 7.372 2.034 1.00 0.00 O ATOM 1033 CB GLN A 64 8.342 5.617 3.070 1.00 0.00 C ATOM 1034 CG GLN A 64 9.170 6.886 2.856 1.00 0.00 C ATOM 1035 CD GLN A 64 10.184 7.029 3.992 1.00 0.00 C ATOM 1036 OE1 GLN A 64 10.283 8.072 4.607 1.00 0.00 O ATOM 1037 NE2 GLN A 64 10.948 6.016 4.299 1.00 0.00 N ATOM 0 H GLN A 64 8.380 6.865 0.731 1.00 0.00 H new ATOM 0 HA GLN A 64 7.222 4.332 1.782 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.763 5.700 3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.001 4.757 3.185 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.686 6.839 1.897 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.517 7.758 2.825 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.865 5.140 3.783 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.628 6.100 5.055 1.00 0.00 H new ATOM 1046 N LEU A 65 5.018 5.472 2.375 1.00 0.00 N ATOM 1047 CA LEU A 65 3.760 6.176 2.566 1.00 0.00 C ATOM 1048 C LEU A 65 3.169 5.895 3.953 1.00 0.00 C ATOM 1049 O LEU A 65 3.591 4.991 4.650 1.00 0.00 O ATOM 1050 CB LEU A 65 2.765 5.807 1.441 1.00 0.00 C ATOM 1051 CG LEU A 65 2.419 4.301 1.402 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.640 3.480 0.995 1.00 0.00 C ATOM 1053 CD2 LEU A 65 1.909 3.812 2.761 1.00 0.00 C ATOM 0 H LEU A 65 4.974 4.457 2.462 1.00 0.00 H new ATOM 0 HA LEU A 65 3.954 7.247 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.848 6.380 1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.188 6.101 0.480 1.00 0.00 H new ATOM 0 HG LEU A 65 1.629 4.167 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.377 2.423 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.974 3.791 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.442 3.639 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.674 2.749 2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.678 3.971 3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.011 4.367 3.034 1.00 0.00 H new ATOM 1065 N GLN A 66 2.196 6.677 4.361 1.00 0.00 N ATOM 1066 CA GLN A 66 1.596 6.479 5.670 1.00 0.00 C ATOM 1067 C GLN A 66 0.062 6.521 5.572 1.00 0.00 C ATOM 1068 O GLN A 66 -0.518 7.416 4.989 1.00 0.00 O ATOM 1069 CB GLN A 66 2.073 7.579 6.620 1.00 0.00 C ATOM 1070 CG GLN A 66 2.578 6.948 7.920 1.00 0.00 C ATOM 1071 CD GLN A 66 3.016 8.051 8.886 1.00 0.00 C ATOM 1072 OE1 GLN A 66 2.193 8.760 9.431 1.00 0.00 O ATOM 1073 NE2 GLN A 66 4.287 8.226 9.124 1.00 0.00 N ATOM 0 H GLN A 66 1.804 7.447 3.818 1.00 0.00 H new ATOM 0 HA GLN A 66 1.898 5.503 6.050 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.869 8.159 6.152 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.257 8.270 6.832 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.792 6.344 8.373 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.413 6.279 7.712 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.978 7.631 8.667 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.589 8.958 9.767 1.00 0.00 H new ATOM 1082 N LEU A 67 -0.582 5.541 6.142 1.00 0.00 N ATOM 1083 CA LEU A 67 -2.028 5.471 6.108 1.00 0.00 C ATOM 1084 C LEU A 67 -2.501 5.127 7.517 1.00 0.00 C ATOM 1085 O LEU A 67 -2.007 4.207 8.128 1.00 0.00 O ATOM 1086 CB LEU A 67 -2.453 4.384 5.104 1.00 0.00 C ATOM 1087 CG LEU A 67 -3.911 3.956 5.330 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -4.809 4.568 4.251 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -3.998 2.431 5.241 1.00 0.00 C ATOM 0 H LEU A 67 -0.132 4.773 6.640 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.469 6.416 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.335 4.759 4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.798 3.518 5.203 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.241 4.299 6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.841 4.260 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.743 5.655 4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.483 4.226 3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.029 2.115 5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.667 2.105 4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.360 1.985 6.004 1.00 0.00 H new ATOM 1101 N VAL A 68 -3.442 5.849 8.052 1.00 0.00 N ATOM 1102 CA VAL A 68 -3.881 5.527 9.399 1.00 0.00 C ATOM 1103 C VAL A 68 -5.274 4.947 9.372 1.00 0.00 C ATOM 1104 O VAL A 68 -6.032 5.091 8.433 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.841 6.729 10.347 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -3.706 6.245 11.786 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.626 7.573 10.051 1.00 0.00 C ATOM 0 H VAL A 68 -3.912 6.637 7.606 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.177 4.790 9.785 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.758 7.303 10.211 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.678 7.103 12.457 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.558 5.614 12.039 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.785 5.671 11.892 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.602 8.427 10.728 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.725 6.975 10.189 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.671 7.928 9.021 1.00 0.00 H new ATOM 1117 N LEU A 69 -5.576 4.247 10.401 1.00 0.00 N ATOM 1118 CA LEU A 69 -6.841 3.581 10.511 1.00 0.00 C ATOM 1119 C LEU A 69 -7.861 4.521 11.140 1.00 0.00 C ATOM 1120 O LEU A 69 -7.518 5.325 11.984 1.00 0.00 O ATOM 1121 CB LEU A 69 -6.629 2.368 11.424 1.00 0.00 C ATOM 1122 CG LEU A 69 -5.659 1.342 10.786 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -6.433 0.272 10.057 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -4.714 1.981 9.769 1.00 0.00 C ATOM 0 H LEU A 69 -4.957 4.112 11.201 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.210 3.276 9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.232 2.698 12.384 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.588 1.889 11.624 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.077 0.928 11.609 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.738 -0.442 9.614 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.087 -0.246 10.759 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.034 0.729 9.271 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.057 1.217 9.353 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.296 2.435 8.967 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.115 2.747 10.261 1.00 0.00 H new ATOM 1136 N HIS A 70 -9.120 4.413 10.773 1.00 0.00 N ATOM 1137 CA HIS A 70 -10.118 5.269 11.395 1.00 0.00 C ATOM 1138 C HIS A 70 -9.853 5.206 12.899 1.00 0.00 C ATOM 1139 O HIS A 70 -10.042 6.152 13.639 1.00 0.00 O ATOM 1140 CB HIS A 70 -11.521 4.736 11.096 1.00 0.00 C ATOM 1141 CG HIS A 70 -12.016 5.312 9.799 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -12.884 6.391 9.753 1.00 0.00 N ATOM 1143 CD2 HIS A 70 -11.777 4.967 8.493 1.00 0.00 C ATOM 1144 CE1 HIS A 70 -13.135 6.654 8.457 1.00 0.00 C ATOM 1145 NE2 HIS A 70 -12.485 5.815 7.647 1.00 0.00 N ATOM 0 H HIS A 70 -9.474 3.764 10.070 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.058 6.290 11.018 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.502 3.648 11.038 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -12.201 5.001 11.906 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.136 4.160 8.170 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -13.783 7.447 8.114 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.503 5.799 6.627 1.00 0.00 H new ATOM 1153 N ALA A 71 -9.369 4.068 13.319 1.00 0.00 N ATOM 1154 CA ALA A 71 -9.026 3.868 14.706 1.00 0.00 C ATOM 1155 C ALA A 71 -7.682 4.553 14.967 1.00 0.00 C ATOM 1156 O ALA A 71 -7.359 5.554 14.359 1.00 0.00 O ATOM 1157 CB ALA A 71 -8.911 2.371 14.998 1.00 0.00 C ATOM 0 H ALA A 71 -9.202 3.260 12.719 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.796 4.291 15.352 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.652 2.224 16.046 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.864 1.885 14.788 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.135 1.936 14.368 1.00 0.00 H new ATOM 1163 N GLY A 72 -6.911 4.046 15.885 1.00 0.00 N ATOM 1164 CA GLY A 72 -5.637 4.675 16.203 1.00 0.00 C ATOM 1165 C GLY A 72 -4.501 3.774 15.741 1.00 0.00 C ATOM 1166 O GLY A 72 -3.623 3.405 16.495 1.00 0.00 O ATOM 0 H GLY A 72 -7.127 3.210 16.427 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.567 5.647 15.715 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.563 4.851 17.276 1.00 0.00 H new ATOM 1170 N ASP A 73 -4.548 3.396 14.509 1.00 0.00 N ATOM 1171 CA ASP A 73 -3.536 2.508 13.993 1.00 0.00 C ATOM 1172 C ASP A 73 -2.949 3.101 12.731 1.00 0.00 C ATOM 1173 O ASP A 73 -3.638 3.692 11.934 1.00 0.00 O ATOM 1174 CB ASP A 73 -4.156 1.144 13.686 1.00 0.00 C ATOM 1175 CG ASP A 73 -4.100 0.265 14.937 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -3.044 -0.283 15.206 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -5.115 0.154 15.605 1.00 0.00 O ATOM 0 H ASP A 73 -5.263 3.678 13.839 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.748 2.381 14.735 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.189 1.267 13.361 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.619 0.665 12.867 1.00 0.00 H new ATOM 1182 N THR A 74 -1.671 2.964 12.560 1.00 0.00 N ATOM 1183 CA THR A 74 -1.043 3.526 11.394 1.00 0.00 C ATOM 1184 C THR A 74 -0.621 2.407 10.454 1.00 0.00 C ATOM 1185 O THR A 74 -0.378 1.287 10.859 1.00 0.00 O ATOM 1186 CB THR A 74 0.188 4.334 11.810 1.00 0.00 C ATOM 1187 OG1 THR A 74 0.051 4.736 13.166 1.00 0.00 O ATOM 1188 CG2 THR A 74 0.314 5.571 10.919 1.00 0.00 C ATOM 0 H THR A 74 -1.045 2.476 13.200 1.00 0.00 H new ATOM 0 HA THR A 74 -1.750 4.181 10.885 1.00 0.00 H new ATOM 0 HB THR A 74 1.081 3.719 11.701 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.839 5.252 13.435 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.191 6.146 11.216 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.418 5.261 9.879 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.578 6.189 11.026 1.00 0.00 H new ATOM 1196 N THR A 75 -0.512 2.717 9.201 1.00 0.00 N ATOM 1197 CA THR A 75 -0.094 1.741 8.231 1.00 0.00 C ATOM 1198 C THR A 75 1.016 2.397 7.416 1.00 0.00 C ATOM 1199 O THR A 75 0.761 3.250 6.589 1.00 0.00 O ATOM 1200 CB THR A 75 -1.266 1.386 7.313 1.00 0.00 C ATOM 1201 OG1 THR A 75 -2.475 1.415 8.059 1.00 0.00 O ATOM 1202 CG2 THR A 75 -1.054 -0.013 6.733 1.00 0.00 C ATOM 0 H THR A 75 -0.707 3.642 8.819 1.00 0.00 H new ATOM 0 HA THR A 75 0.250 0.825 8.711 1.00 0.00 H new ATOM 0 HB THR A 75 -1.324 2.109 6.499 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.768 2.343 8.170 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.889 -0.266 6.079 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.126 -0.033 6.161 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.996 -0.738 7.545 1.00 0.00 H new ATOM 1210 N ASN A 76 2.245 2.038 7.645 1.00 0.00 N ATOM 1211 CA ASN A 76 3.315 2.667 6.903 1.00 0.00 C ATOM 1212 C ASN A 76 3.932 1.659 5.950 1.00 0.00 C ATOM 1213 O ASN A 76 4.124 0.507 6.288 1.00 0.00 O ATOM 1214 CB ASN A 76 4.387 3.164 7.870 1.00 0.00 C ATOM 1215 CG ASN A 76 3.748 4.077 8.919 1.00 0.00 C ATOM 1216 OD1 ASN A 76 2.567 3.979 9.187 1.00 0.00 O ATOM 1217 ND2 ASN A 76 4.484 4.967 9.526 1.00 0.00 N ATOM 0 H ASN A 76 2.535 1.331 8.321 1.00 0.00 H new ATOM 0 HA ASN A 76 2.914 3.509 6.338 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.873 2.318 8.357 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.160 3.705 7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.068 5.581 10.226 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.475 5.049 9.300 1.00 0.00 H new ATOM 1224 N PHE A 77 4.249 2.074 4.761 1.00 0.00 N ATOM 1225 CA PHE A 77 4.839 1.141 3.838 1.00 0.00 C ATOM 1226 C PHE A 77 5.929 1.813 3.000 1.00 0.00 C ATOM 1227 O PHE A 77 5.961 3.012 2.807 1.00 0.00 O ATOM 1228 CB PHE A 77 3.760 0.528 2.947 1.00 0.00 C ATOM 1229 CG PHE A 77 3.620 -0.932 3.306 1.00 0.00 C ATOM 1230 CD1 PHE A 77 4.748 -1.752 3.260 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.379 -1.472 3.684 1.00 0.00 C ATOM 1232 CE1 PHE A 77 4.653 -3.096 3.584 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.286 -2.825 4.008 1.00 0.00 C ATOM 1234 CZ PHE A 77 3.431 -3.634 3.955 1.00 0.00 C ATOM 0 H PHE A 77 4.116 3.022 4.410 1.00 0.00 H new ATOM 0 HA PHE A 77 5.310 0.341 4.409 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.812 1.046 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.029 0.636 1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.702 -1.336 2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.502 -0.843 3.723 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.531 -3.724 3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.336 -3.249 4.299 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.360 -4.682 4.205 1.00 0.00 H new ATOM 1244 N HIS A 78 6.844 1.010 2.559 1.00 0.00 N ATOM 1245 CA HIS A 78 7.981 1.490 1.794 1.00 0.00 C ATOM 1246 C HIS A 78 8.201 0.571 0.597 1.00 0.00 C ATOM 1247 O HIS A 78 7.634 -0.498 0.510 1.00 0.00 O ATOM 1248 CB HIS A 78 9.246 1.549 2.671 1.00 0.00 C ATOM 1249 CG HIS A 78 10.387 2.120 1.871 1.00 0.00 C ATOM 1250 ND1 HIS A 78 11.284 1.302 1.211 1.00 0.00 N ATOM 1251 CD2 HIS A 78 10.784 3.411 1.585 1.00 0.00 C ATOM 1252 CE1 HIS A 78 12.156 2.092 0.569 1.00 0.00 C ATOM 1253 NE2 HIS A 78 11.901 3.380 0.773 1.00 0.00 N ATOM 0 H HIS A 78 6.836 0.002 2.712 1.00 0.00 H new ATOM 0 HA HIS A 78 7.775 2.501 1.442 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.062 2.164 3.552 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.501 0.551 3.027 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.283 0.282 1.212 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.297 4.307 1.941 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.968 1.726 -0.041 1.00 0.00 H new ATOM 1261 N PHE A 79 9.032 0.969 -0.314 1.00 0.00 N ATOM 1262 CA PHE A 79 9.291 0.130 -1.456 1.00 0.00 C ATOM 1263 C PHE A 79 10.794 0.095 -1.737 1.00 0.00 C ATOM 1264 O PHE A 79 11.496 1.061 -1.557 1.00 0.00 O ATOM 1265 CB PHE A 79 8.561 0.674 -2.660 1.00 0.00 C ATOM 1266 CG PHE A 79 7.063 0.557 -2.460 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.375 1.561 -1.770 1.00 0.00 C ATOM 1268 CD2 PHE A 79 6.357 -0.535 -2.978 1.00 0.00 C ATOM 1269 CE1 PHE A 79 4.988 1.477 -1.600 1.00 0.00 C ATOM 1270 CE2 PHE A 79 4.976 -0.617 -2.805 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.292 0.383 -2.121 1.00 0.00 C ATOM 0 H PHE A 79 9.539 1.854 -0.297 1.00 0.00 H new ATOM 0 HA PHE A 79 8.940 -0.881 -1.249 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.834 1.717 -2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 79 8.860 0.126 -3.554 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.916 2.404 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 79 6.882 -1.314 -3.511 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.458 2.254 -1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.434 -1.462 -3.204 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.222 0.314 -1.993 1.00 0.00 H new ATOM 1346 N ALA A 85 12.822 -0.347 -7.495 1.00 0.00 N ATOM 1347 CA ALA A 85 12.640 0.624 -6.428 1.00 0.00 C ATOM 1348 C ALA A 85 12.225 2.024 -6.930 1.00 0.00 C ATOM 1349 O ALA A 85 12.565 3.005 -6.299 1.00 0.00 O ATOM 1350 CB ALA A 85 13.933 0.745 -5.623 1.00 0.00 C ATOM 0 HA ALA A 85 11.823 0.254 -5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.797 1.473 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 85 14.186 -0.224 -5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.740 1.073 -6.278 1.00 0.00 H new ATOM 1356 N VAL A 86 11.548 2.179 -8.036 1.00 0.00 N ATOM 1357 CA VAL A 86 11.237 3.545 -8.453 1.00 0.00 C ATOM 1358 C VAL A 86 9.830 3.669 -9.082 1.00 0.00 C ATOM 1359 O VAL A 86 8.841 3.363 -8.447 1.00 0.00 O ATOM 1360 CB VAL A 86 12.306 4.008 -9.444 1.00 0.00 C ATOM 1361 CG1 VAL A 86 13.659 4.084 -8.735 1.00 0.00 C ATOM 1362 CG2 VAL A 86 12.395 3.010 -10.602 1.00 0.00 C ATOM 0 H VAL A 86 11.211 1.432 -8.644 1.00 0.00 H new ATOM 0 HA VAL A 86 11.235 4.180 -7.567 1.00 0.00 H new ATOM 0 HB VAL A 86 12.041 4.992 -9.830 1.00 0.00 H new ATOM 0 HG11 VAL A 86 14.421 4.414 -9.441 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.598 4.793 -7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.923 3.099 -8.349 1.00 0.00 H new ATOM 0 HG21 VAL A 86 13.157 3.340 -11.309 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.660 2.026 -10.215 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.431 2.953 -11.108 1.00 0.00 H new ATOM 1372 N LYS A 87 9.740 4.161 -10.309 1.00 0.00 N ATOM 1373 CA LYS A 87 8.444 4.355 -10.960 1.00 0.00 C ATOM 1374 C LYS A 87 7.461 3.266 -10.541 1.00 0.00 C ATOM 1375 O LYS A 87 6.368 3.544 -10.094 1.00 0.00 O ATOM 1376 CB LYS A 87 8.629 4.311 -12.478 1.00 0.00 C ATOM 1377 CG LYS A 87 7.610 5.237 -13.144 1.00 0.00 C ATOM 1378 CD LYS A 87 7.532 4.920 -14.639 1.00 0.00 C ATOM 1379 CE LYS A 87 7.173 6.189 -15.413 1.00 0.00 C ATOM 1380 NZ LYS A 87 6.003 5.917 -16.295 1.00 0.00 N ATOM 0 H LYS A 87 10.543 4.434 -10.876 1.00 0.00 H new ATOM 0 HA LYS A 87 8.043 5.323 -10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.641 4.618 -12.741 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.501 3.291 -12.841 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.631 5.109 -12.683 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.898 6.278 -12.997 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.487 4.527 -14.988 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.784 4.148 -14.819 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.940 6.997 -14.720 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.024 6.517 -16.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.758 6.779 -16.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.242 5.158 -16.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.192 5.623 -15.715 1.00 0.00 H new ATOM 1394 N GLU A 88 7.853 2.036 -10.662 1.00 0.00 N ATOM 1395 CA GLU A 88 6.989 0.938 -10.259 1.00 0.00 C ATOM 1396 C GLU A 88 6.293 1.284 -8.936 1.00 0.00 C ATOM 1397 O GLU A 88 5.080 1.393 -8.852 1.00 0.00 O ATOM 1398 CB GLU A 88 7.844 -0.306 -10.037 1.00 0.00 C ATOM 1399 CG GLU A 88 9.249 0.092 -9.574 1.00 0.00 C ATOM 1400 CD GLU A 88 10.257 -0.273 -10.662 1.00 0.00 C ATOM 1401 OE1 GLU A 88 10.047 -1.275 -11.325 1.00 0.00 O ATOM 1402 OE2 GLU A 88 11.224 0.456 -10.816 1.00 0.00 O ATOM 0 H GLU A 88 8.760 1.754 -11.034 1.00 0.00 H new ATOM 0 HA GLU A 88 6.244 0.762 -11.035 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.376 -0.949 -9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.907 -0.882 -10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.288 1.162 -9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.497 -0.420 -8.644 1.00 0.00 H new ATOM 1409 N ARG A 89 7.068 1.494 -7.911 1.00 0.00 N ATOM 1410 CA ARG A 89 6.502 1.859 -6.636 1.00 0.00 C ATOM 1411 C ARG A 89 5.845 3.215 -6.832 1.00 0.00 C ATOM 1412 O ARG A 89 4.713 3.442 -6.452 1.00 0.00 O ATOM 1413 CB ARG A 89 7.619 1.956 -5.592 1.00 0.00 C ATOM 1414 CG ARG A 89 8.572 0.762 -5.739 1.00 0.00 C ATOM 1415 CD ARG A 89 7.793 -0.535 -5.509 1.00 0.00 C ATOM 1416 NE ARG A 89 7.776 -1.298 -6.737 1.00 0.00 N ATOM 1417 CZ ARG A 89 7.364 -2.539 -6.744 1.00 0.00 C ATOM 1418 NH1 ARG A 89 7.042 -3.131 -5.627 1.00 0.00 N ATOM 1419 NH2 ARG A 89 7.285 -3.194 -7.870 1.00 0.00 N ATOM 0 H ARG A 89 8.085 1.421 -7.928 1.00 0.00 H new ATOM 0 HA ARG A 89 5.779 1.122 -6.288 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.168 2.889 -5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.192 1.971 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.021 0.760 -6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.388 0.842 -5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.256 -1.116 -4.711 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.775 -0.311 -5.191 1.00 0.00 H new ATOM 0 HE ARG A 89 8.088 -0.864 -7.606 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.111 -2.626 -4.744 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.721 -4.099 -5.637 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.545 -2.738 -8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.964 -4.162 -7.875 1.00 0.00 H new ATOM 1433 N ASP A 90 6.582 4.112 -7.433 1.00 0.00 N ATOM 1434 CA ASP A 90 6.071 5.451 -7.692 1.00 0.00 C ATOM 1435 C ASP A 90 4.593 5.345 -8.078 1.00 0.00 C ATOM 1436 O ASP A 90 3.757 6.072 -7.581 1.00 0.00 O ATOM 1437 CB ASP A 90 6.856 6.091 -8.838 1.00 0.00 C ATOM 1438 CG ASP A 90 6.790 7.615 -8.715 1.00 0.00 C ATOM 1439 OD1 ASP A 90 5.761 8.111 -8.286 1.00 0.00 O ATOM 1440 OD2 ASP A 90 7.769 8.259 -9.052 1.00 0.00 O ATOM 0 H ASP A 90 7.536 3.950 -7.755 1.00 0.00 H new ATOM 0 HA ASP A 90 6.180 6.068 -6.800 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.894 5.758 -8.812 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.444 5.775 -9.796 1.00 0.00 H new ATOM 1445 N ALA A 91 4.267 4.417 -8.939 1.00 0.00 N ATOM 1446 CA ALA A 91 2.884 4.237 -9.322 1.00 0.00 C ATOM 1447 C ALA A 91 2.114 3.732 -8.102 1.00 0.00 C ATOM 1448 O ALA A 91 1.067 4.248 -7.765 1.00 0.00 O ATOM 1449 CB ALA A 91 2.791 3.212 -10.455 1.00 0.00 C ATOM 0 H ALA A 91 4.927 3.780 -9.385 1.00 0.00 H new ATOM 0 HA ALA A 91 2.462 5.180 -9.670 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.748 3.079 -10.741 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.360 3.567 -11.314 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.199 2.259 -10.118 1.00 0.00 H new ATOM 1455 N VAL A 92 2.628 2.718 -7.439 1.00 0.00 N ATOM 1456 CA VAL A 92 1.944 2.194 -6.265 1.00 0.00 C ATOM 1457 C VAL A 92 1.406 3.366 -5.435 1.00 0.00 C ATOM 1458 O VAL A 92 0.219 3.488 -5.217 1.00 0.00 O ATOM 1459 CB VAL A 92 2.913 1.385 -5.399 1.00 0.00 C ATOM 1460 CG1 VAL A 92 2.307 1.196 -4.011 1.00 0.00 C ATOM 1461 CG2 VAL A 92 3.152 0.010 -6.014 1.00 0.00 C ATOM 0 H VAL A 92 3.498 2.245 -7.682 1.00 0.00 H new ATOM 0 HA VAL A 92 1.129 1.548 -6.591 1.00 0.00 H new ATOM 0 HB VAL A 92 3.859 1.923 -5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.993 0.620 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.134 2.170 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.360 0.662 -4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.843 -0.554 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.206 -0.526 -6.085 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.578 0.126 -7.010 1.00 0.00 H new ATOM 1471 N LYS A 93 2.274 4.244 -5.001 1.00 0.00 N ATOM 1472 CA LYS A 93 1.823 5.391 -4.233 1.00 0.00 C ATOM 1473 C LYS A 93 0.935 6.236 -5.133 1.00 0.00 C ATOM 1474 O LYS A 93 -0.011 6.861 -4.675 1.00 0.00 O ATOM 1475 CB LYS A 93 3.027 6.212 -3.765 1.00 0.00 C ATOM 1476 CG LYS A 93 2.561 7.602 -3.322 1.00 0.00 C ATOM 1477 CD LYS A 93 3.689 8.302 -2.562 1.00 0.00 C ATOM 1478 CE LYS A 93 4.460 9.215 -3.517 1.00 0.00 C ATOM 1479 NZ LYS A 93 3.845 10.572 -3.512 1.00 0.00 N ATOM 0 H LYS A 93 3.281 4.195 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 93 1.269 5.065 -3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.527 5.705 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.755 6.301 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.272 8.194 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.679 7.516 -2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.279 8.885 -1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.362 7.563 -2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.505 9.277 -3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.444 8.801 -4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.369 11.193 -4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.854 10.505 -3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.882 10.966 -2.550 1.00 0.00 H new ATOM 1493 N ASP A 94 1.232 6.228 -6.415 1.00 0.00 N ATOM 1494 CA ASP A 94 0.438 6.971 -7.371 1.00 0.00 C ATOM 1495 C ASP A 94 -0.967 6.377 -7.388 1.00 0.00 C ATOM 1496 O ASP A 94 -1.900 6.974 -7.888 1.00 0.00 O ATOM 1497 CB ASP A 94 1.058 6.859 -8.765 1.00 0.00 C ATOM 1498 CG ASP A 94 0.681 8.091 -9.591 1.00 0.00 C ATOM 1499 OD1 ASP A 94 1.165 9.164 -9.272 1.00 0.00 O ATOM 1500 OD2 ASP A 94 -0.085 7.940 -10.528 1.00 0.00 O ATOM 0 H ASP A 94 2.016 5.716 -6.819 1.00 0.00 H new ATOM 0 HA ASP A 94 0.403 8.023 -7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.142 6.778 -8.687 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.705 5.954 -9.260 1.00 0.00 H new ATOM 1505 N LEU A 95 -1.132 5.214 -6.810 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.448 4.604 -6.751 1.00 0.00 C ATOM 1507 C LEU A 95 -3.044 4.862 -5.358 1.00 0.00 C ATOM 1508 O LEU A 95 -4.183 5.270 -5.225 1.00 0.00 O ATOM 1509 CB LEU A 95 -2.330 3.097 -6.990 1.00 0.00 C ATOM 1510 CG LEU A 95 -2.677 2.784 -8.447 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -4.082 3.300 -8.761 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -1.665 3.468 -9.369 1.00 0.00 C ATOM 0 H LEU A 95 -0.385 4.671 -6.377 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.092 5.033 -7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.318 2.760 -6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.001 2.558 -6.321 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.644 1.706 -8.604 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.328 3.077 -9.799 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.803 2.814 -8.104 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.117 4.378 -8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.911 3.246 -10.407 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.699 4.546 -9.211 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.663 3.100 -9.147 1.00 0.00 H new ATOM 1524 N LEU A 96 -2.270 4.632 -4.326 1.00 0.00 N ATOM 1525 CA LEU A 96 -2.730 4.843 -2.958 1.00 0.00 C ATOM 1526 C LEU A 96 -3.472 6.173 -2.792 1.00 0.00 C ATOM 1527 O LEU A 96 -4.656 6.202 -2.512 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.515 4.872 -2.041 1.00 0.00 C ATOM 1529 CG LEU A 96 -0.628 3.656 -2.307 1.00 0.00 C ATOM 1530 CD1 LEU A 96 0.362 3.485 -1.156 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.493 2.400 -2.424 1.00 0.00 C ATOM 0 H LEU A 96 -1.310 4.296 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.416 4.033 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.948 5.788 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.836 4.877 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.083 3.807 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.994 2.618 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.984 4.377 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.185 3.338 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.856 1.536 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.043 2.249 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.198 2.519 -3.247 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.790 7.279 -2.947 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.450 8.568 -2.785 1.00 0.00 C ATOM 1545 C GLN A 97 -4.565 8.745 -3.827 1.00 0.00 C ATOM 1546 O GLN A 97 -5.260 9.742 -3.834 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.435 9.699 -2.975 1.00 0.00 C ATOM 1548 CG GLN A 97 -1.447 9.351 -4.097 1.00 0.00 C ATOM 1549 CD GLN A 97 -2.202 8.661 -5.229 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -2.135 7.369 -5.334 1.00 0.00 O flip ATOM 1551 NE2 GLN A 97 -2.857 9.306 -6.024 1.00 0.00 N flip ATOM 0 H GLN A 97 -1.798 7.324 -3.180 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.878 8.602 -1.783 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.955 10.626 -3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -1.893 9.869 -2.045 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.962 10.255 -4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.661 8.699 -3.717 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -2.907 10.321 -5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.356 8.832 -6.777 1.00 0.00 H new ATOM 1560 N GLN A 98 -4.750 7.794 -4.701 1.00 0.00 N ATOM 1561 CA GLN A 98 -5.793 7.916 -5.694 1.00 0.00 C ATOM 1562 C GLN A 98 -7.059 7.224 -5.182 1.00 0.00 C ATOM 1563 O GLN A 98 -8.158 7.707 -5.371 1.00 0.00 O ATOM 1564 CB GLN A 98 -5.341 7.261 -7.000 1.00 0.00 C ATOM 1565 CG GLN A 98 -5.412 8.285 -8.133 1.00 0.00 C ATOM 1566 CD GLN A 98 -6.293 7.742 -9.260 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -7.458 7.466 -9.057 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -5.780 7.576 -10.449 1.00 0.00 N ATOM 0 H GLN A 98 -4.203 6.935 -4.750 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.001 8.970 -5.877 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.323 6.885 -6.898 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.975 6.405 -7.229 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -5.818 9.226 -7.762 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.411 8.496 -8.510 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.801 7.808 -10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.358 7.214 -11.208 1.00 0.00 H new ATOM 1577 N LEU A 99 -6.917 6.105 -4.518 1.00 0.00 N ATOM 1578 CA LEU A 99 -8.099 5.427 -3.999 1.00 0.00 C ATOM 1579 C LEU A 99 -8.493 6.084 -2.682 1.00 0.00 C ATOM 1580 O LEU A 99 -9.635 6.042 -2.280 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.835 3.939 -3.726 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.574 3.477 -4.429 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.455 3.507 -3.412 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -6.756 2.049 -4.944 1.00 0.00 C ATOM 0 H LEU A 99 -6.027 5.647 -4.323 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.888 5.506 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.740 3.773 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.684 3.346 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.350 4.124 -5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.527 3.180 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.333 4.523 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.697 2.840 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.845 1.725 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.963 1.384 -4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.589 2.019 -5.646 1.00 0.00 H new ATOM 1596 N LEU A 100 -7.544 6.651 -1.980 1.00 0.00 N ATOM 1597 CA LEU A 100 -7.843 7.262 -0.700 1.00 0.00 C ATOM 1598 C LEU A 100 -9.136 8.068 -0.851 1.00 0.00 C ATOM 1599 O LEU A 100 -9.947 8.140 0.051 1.00 0.00 O ATOM 1600 CB LEU A 100 -6.673 8.168 -0.277 1.00 0.00 C ATOM 1601 CG LEU A 100 -7.173 9.314 0.611 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -7.730 8.745 1.916 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -6.011 10.260 0.924 1.00 0.00 C ATOM 0 H LEU A 100 -6.566 6.705 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.976 6.504 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.928 7.582 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.182 8.574 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.958 9.860 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.085 9.560 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.557 8.071 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.945 8.198 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.365 11.075 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.226 9.712 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.613 10.667 -0.005 1.00 0.00 H new ATOM 1615 N PRO A 101 -9.285 8.611 -2.027 1.00 0.00 N ATOM 1616 CA PRO A 101 -10.504 9.380 -2.347 1.00 0.00 C ATOM 1617 C PRO A 101 -11.685 8.433 -2.611 1.00 0.00 C ATOM 1618 O PRO A 101 -12.821 8.729 -2.299 1.00 0.00 O ATOM 1619 CB PRO A 101 -10.130 10.137 -3.619 1.00 0.00 C ATOM 1620 CG PRO A 101 -8.599 10.221 -3.665 1.00 0.00 C ATOM 1621 CD PRO A 101 -8.077 9.163 -2.696 1.00 0.00 C ATOM 0 HA PRO A 101 -10.815 10.039 -1.537 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.513 9.622 -4.500 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.570 11.134 -3.616 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.231 10.038 -4.674 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.256 11.215 -3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.529 8.383 -3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.391 9.599 -1.970 1.00 0.00 H new ATOM 1629 N LYS A 102 -11.411 7.303 -3.196 1.00 0.00 N ATOM 1630 CA LYS A 102 -12.454 6.337 -3.504 1.00 0.00 C ATOM 1631 C LYS A 102 -13.338 6.081 -2.282 1.00 0.00 C ATOM 1632 O LYS A 102 -14.524 5.848 -2.405 1.00 0.00 O ATOM 1633 CB LYS A 102 -11.789 5.019 -3.890 1.00 0.00 C ATOM 1634 CG LYS A 102 -12.843 4.024 -4.371 1.00 0.00 C ATOM 1635 CD LYS A 102 -12.471 3.520 -5.767 1.00 0.00 C ATOM 1636 CE LYS A 102 -13.173 2.187 -6.032 1.00 0.00 C ATOM 1637 NZ LYS A 102 -12.160 1.155 -6.392 1.00 0.00 N ATOM 0 H LYS A 102 -10.473 7.017 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.069 6.729 -4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.053 5.190 -4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.253 4.608 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.911 3.186 -3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.824 4.500 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.763 4.253 -6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.391 3.396 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.728 1.874 -5.148 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.897 2.299 -6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.637 0.249 -6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.649 1.454 -7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.486 1.042 -5.608 1.00 0.00 H new ATOM 1651 N PHE A 103 -12.774 6.097 -1.110 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.565 5.834 0.074 1.00 0.00 C ATOM 1653 C PHE A 103 -13.535 7.066 0.979 1.00 0.00 C ATOM 1654 O PHE A 103 -14.174 7.109 2.011 1.00 0.00 O ATOM 1655 CB PHE A 103 -12.976 4.631 0.829 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.529 4.457 0.427 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -11.223 3.862 -0.801 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -10.501 4.915 1.261 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -9.891 3.723 -1.200 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -9.166 4.774 0.866 1.00 0.00 C ATOM 1661 CZ PHE A 103 -8.860 4.179 -0.367 1.00 0.00 C ATOM 0 H PHE A 103 -11.786 6.285 -0.941 1.00 0.00 H new ATOM 0 HA PHE A 103 -14.593 5.612 -0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -13.051 4.788 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.542 3.728 0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -12.017 3.509 -1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -10.739 5.377 2.208 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.656 3.265 -2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.372 5.123 1.510 1.00 0.00 H new ATOM 0 HZ PHE A 103 -7.830 4.072 -0.674 1.00 0.00 H new