USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 453 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.375 K(o=-0.37,f=-3.2!) USER MOD Single : A 14 HIS : no HD1:sc= -2.2! C(o=-2.2!,f=-7.9!) USER MOD Single : A 19 LYS NZ :NH3+ -156:sc= -0.0282 (180deg=-0.233) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl 132:sc= -3.05! (180deg=-4.79!) USER MOD Single : A 23 THR OG1 : rot 49:sc= 0.144 USER MOD Single : A 25 HIS : no HE2:sc= -3.39! C(o=-3.4!,f=-3.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 175:sc= 0.225 USER MOD Single : A 44 CYS SG : rot -115:sc= -0.855! USER MOD Single : A 48 SER OG : rot 130:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.441 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 0.714 (180deg=0.264) USER MOD Single : A 69 MET CE :methyl -167:sc= -12.5! (180deg=-13.2!) USER MOD Single : A 74 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.31) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -55.671 22.238 -4.708 1.00 0.00 N ATOM 122 CA PRO A 9 -54.275 22.730 -4.758 1.00 0.00 C ATOM 123 C PRO A 9 -53.987 23.709 -3.598 1.00 0.00 C ATOM 124 O PRO A 9 -54.412 24.866 -3.618 1.00 0.00 O ATOM 125 CB PRO A 9 -54.203 23.451 -6.109 1.00 0.00 C ATOM 126 CG PRO A 9 -55.657 23.838 -6.474 1.00 0.00 C ATOM 127 CD PRO A 9 -56.582 22.921 -5.653 1.00 0.00 C ATOM 0 HA PRO A 9 -53.541 21.931 -4.658 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -53.570 24.336 -6.044 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -53.770 22.804 -6.872 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -55.848 24.886 -6.243 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -55.835 23.710 -7.542 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -57.345 23.494 -5.127 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -57.103 22.207 -6.291 1.00 0.00 H new ATOM 135 N ILE A 10 -53.272 23.265 -2.595 1.00 0.00 N ATOM 136 CA ILE A 10 -52.944 24.150 -1.421 1.00 0.00 C ATOM 137 C ILE A 10 -52.358 25.494 -1.892 1.00 0.00 C ATOM 138 O ILE A 10 -52.880 26.558 -1.562 1.00 0.00 O ATOM 139 CB ILE A 10 -51.932 23.431 -0.514 1.00 0.00 C ATOM 140 CG1 ILE A 10 -52.574 22.178 0.083 1.00 0.00 C ATOM 141 CG2 ILE A 10 -51.503 24.357 0.629 1.00 0.00 C ATOM 142 CD1 ILE A 10 -51.482 21.258 0.631 1.00 0.00 C ATOM 0 H ILE A 10 -52.895 22.319 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 10 -53.861 24.354 -0.868 1.00 0.00 H new ATOM 0 HB ILE A 10 -51.062 23.156 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -53.265 22.455 0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -53.156 21.657 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -50.786 23.840 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -51.041 25.254 0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -52.376 24.637 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -51.939 20.365 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -50.808 20.971 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -50.919 21.781 1.404 1.00 0.00 H new ATOM 154 N SER A 11 -51.283 25.473 -2.649 1.00 0.00 N ATOM 155 CA SER A 11 -50.665 26.760 -3.127 1.00 0.00 C ATOM 156 C SER A 11 -51.733 27.691 -3.719 1.00 0.00 C ATOM 157 O SER A 11 -51.796 28.865 -3.378 1.00 0.00 O ATOM 158 CB SER A 11 -49.598 26.474 -4.184 1.00 0.00 C ATOM 159 OG SER A 11 -48.407 27.163 -3.828 1.00 0.00 O ATOM 0 H SER A 11 -50.807 24.625 -2.957 1.00 0.00 H new ATOM 0 HA SER A 11 -50.204 27.252 -2.270 1.00 0.00 H new ATOM 0 HB2 SER A 11 -49.409 25.402 -4.250 1.00 0.00 H new ATOM 0 HB3 SER A 11 -49.943 26.798 -5.166 1.00 0.00 H new ATOM 0 HG SER A 11 -47.714 26.986 -4.498 1.00 0.00 H new ATOM 165 N GLN A 12 -52.581 27.194 -4.589 1.00 0.00 N ATOM 166 CA GLN A 12 -53.644 28.071 -5.180 1.00 0.00 C ATOM 167 C GLN A 12 -54.481 28.697 -4.050 1.00 0.00 C ATOM 168 O GLN A 12 -54.771 29.891 -4.067 1.00 0.00 O ATOM 169 CB GLN A 12 -54.542 27.245 -6.109 1.00 0.00 C ATOM 170 CG GLN A 12 -54.003 27.335 -7.546 1.00 0.00 C ATOM 171 CD GLN A 12 -55.007 26.725 -8.530 1.00 0.00 C ATOM 172 OE1 GLN A 12 -56.092 26.303 -8.146 1.00 0.00 O ATOM 173 NE2 GLN A 12 -54.700 26.648 -9.789 1.00 0.00 N ATOM 0 H GLN A 12 -52.584 26.227 -4.914 1.00 0.00 H new ATOM 0 HA GLN A 12 -53.177 28.867 -5.760 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -54.566 26.206 -5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -55.566 27.616 -6.068 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -53.815 28.377 -7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -53.050 26.812 -7.617 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -53.799 26.997 -10.117 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -55.360 26.239 -10.451 1.00 0.00 H new ATOM 182 N VAL A 13 -54.849 27.923 -3.056 1.00 0.00 N ATOM 183 CA VAL A 13 -55.640 28.485 -1.912 1.00 0.00 C ATOM 184 C VAL A 13 -54.802 29.560 -1.205 1.00 0.00 C ATOM 185 O VAL A 13 -55.304 30.621 -0.826 1.00 0.00 O ATOM 186 CB VAL A 13 -55.981 27.369 -0.916 1.00 0.00 C ATOM 187 CG1 VAL A 13 -56.846 27.935 0.209 1.00 0.00 C ATOM 188 CG2 VAL A 13 -56.758 26.257 -1.620 1.00 0.00 C ATOM 0 H VAL A 13 -54.637 26.928 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 13 -56.565 28.922 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 13 -55.053 26.966 -0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -57.088 27.142 0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -56.301 28.726 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -57.767 28.341 -0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -56.995 25.470 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -57.682 26.663 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -56.152 25.844 -2.426 1.00 0.00 H new ATOM 198 N HIS A 14 -53.530 29.312 -1.035 1.00 0.00 N ATOM 199 CA HIS A 14 -52.645 30.313 -0.377 1.00 0.00 C ATOM 200 C HIS A 14 -52.583 31.576 -1.252 1.00 0.00 C ATOM 201 O HIS A 14 -52.713 32.701 -0.761 1.00 0.00 O ATOM 202 CB HIS A 14 -51.242 29.713 -0.231 1.00 0.00 C ATOM 203 CG HIS A 14 -51.232 28.682 0.865 1.00 0.00 C ATOM 204 ND1 HIS A 14 -50.306 28.715 1.893 1.00 0.00 N ATOM 205 CD2 HIS A 14 -52.022 27.585 1.108 1.00 0.00 C ATOM 206 CE1 HIS A 14 -50.558 27.669 2.700 1.00 0.00 C ATOM 207 NE2 HIS A 14 -51.594 26.948 2.267 1.00 0.00 N ATOM 0 H HIS A 14 -53.065 28.452 -1.326 1.00 0.00 H new ATOM 0 HA HIS A 14 -53.034 30.573 0.608 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -50.933 29.258 -1.172 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -50.523 30.501 -0.007 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -52.850 27.266 0.492 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -49.991 27.440 3.590 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -51.987 26.110 2.695 1.00 0.00 H new ATOM 215 N GLU A 15 -52.398 31.403 -2.537 1.00 0.00 N ATOM 216 CA GLU A 15 -52.331 32.570 -3.467 1.00 0.00 C ATOM 217 C GLU A 15 -53.673 33.320 -3.482 1.00 0.00 C ATOM 218 O GLU A 15 -53.709 34.541 -3.343 1.00 0.00 O ATOM 219 CB GLU A 15 -52.001 32.076 -4.882 1.00 0.00 C ATOM 220 CG GLU A 15 -50.569 31.521 -4.906 1.00 0.00 C ATOM 221 CD GLU A 15 -49.557 32.661 -5.068 1.00 0.00 C ATOM 222 OE1 GLU A 15 -49.480 33.495 -4.182 1.00 0.00 O ATOM 223 OE2 GLU A 15 -48.875 32.679 -6.076 1.00 0.00 O ATOM 0 H GLU A 15 -52.290 30.493 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 15 -51.553 33.252 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -52.708 31.303 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -52.098 32.893 -5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -50.368 30.976 -3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -50.461 30.811 -5.726 1.00 0.00 H new ATOM 230 N ILE A 16 -54.783 32.629 -3.638 1.00 0.00 N ATOM 231 CA ILE A 16 -56.100 33.341 -3.651 1.00 0.00 C ATOM 232 C ILE A 16 -56.306 34.062 -2.312 1.00 0.00 C ATOM 233 O ILE A 16 -56.899 35.140 -2.260 1.00 0.00 O ATOM 234 CB ILE A 16 -57.244 32.347 -3.900 1.00 0.00 C ATOM 235 CG1 ILE A 16 -57.285 31.292 -2.794 1.00 0.00 C ATOM 236 CG2 ILE A 16 -57.043 31.653 -5.248 1.00 0.00 C ATOM 237 CD1 ILE A 16 -58.569 30.469 -2.921 1.00 0.00 C ATOM 0 H ILE A 16 -54.831 31.617 -3.755 1.00 0.00 H new ATOM 0 HA ILE A 16 -56.101 34.074 -4.458 1.00 0.00 H new ATOM 0 HB ILE A 16 -58.185 32.897 -3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -56.414 30.640 -2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -57.244 31.773 -1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -57.857 30.949 -5.420 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -57.034 32.398 -6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -56.094 31.116 -5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -58.599 29.717 -2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -59.433 31.127 -2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -58.591 29.977 -3.893 1.00 0.00 H new ATOM 249 N GLY A 17 -55.809 33.503 -1.234 1.00 0.00 N ATOM 250 CA GLY A 17 -55.949 34.174 0.095 1.00 0.00 C ATOM 251 C GLY A 17 -55.036 35.404 0.116 1.00 0.00 C ATOM 252 O GLY A 17 -55.489 36.529 0.322 1.00 0.00 O ATOM 0 H GLY A 17 -55.313 32.612 -1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -56.985 34.468 0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -55.678 33.487 0.897 1.00 0.00 H new ATOM 256 N ILE A 18 -53.759 35.218 -0.121 1.00 0.00 N ATOM 257 CA ILE A 18 -52.820 36.377 -0.143 1.00 0.00 C ATOM 258 C ILE A 18 -53.292 37.395 -1.189 1.00 0.00 C ATOM 259 O ILE A 18 -53.247 38.605 -0.968 1.00 0.00 O ATOM 260 CB ILE A 18 -51.403 35.871 -0.473 1.00 0.00 C ATOM 261 CG1 ILE A 18 -50.427 36.503 0.517 1.00 0.00 C ATOM 262 CG2 ILE A 18 -51.006 36.238 -1.913 1.00 0.00 C ATOM 263 CD1 ILE A 18 -49.028 36.606 -0.098 1.00 0.00 C ATOM 0 H ILE A 18 -53.329 34.311 -0.300 1.00 0.00 H new ATOM 0 HA ILE A 18 -52.801 36.865 0.831 1.00 0.00 H new ATOM 0 HB ILE A 18 -51.378 34.784 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -50.779 37.495 0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -50.387 35.906 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -50.001 35.869 -2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -51.709 35.784 -2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -51.025 37.321 -2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -48.346 37.059 0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -48.671 35.610 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -49.070 37.223 -0.996 1.00 0.00 H new ATOM 275 N LYS A 19 -53.753 36.922 -2.320 1.00 0.00 N ATOM 276 CA LYS A 19 -54.243 37.839 -3.392 1.00 0.00 C ATOM 277 C LYS A 19 -55.321 38.779 -2.832 1.00 0.00 C ATOM 278 O LYS A 19 -55.520 39.884 -3.333 1.00 0.00 O ATOM 279 CB LYS A 19 -54.824 37.001 -4.536 1.00 0.00 C ATOM 280 CG LYS A 19 -53.885 37.074 -5.740 1.00 0.00 C ATOM 281 CD LYS A 19 -53.946 38.481 -6.343 1.00 0.00 C ATOM 282 CE LYS A 19 -54.704 38.442 -7.668 1.00 0.00 C ATOM 283 NZ LYS A 19 -53.873 37.744 -8.691 1.00 0.00 N ATOM 0 H LYS A 19 -53.811 35.929 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 19 -53.414 38.443 -3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -54.947 35.966 -4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -55.813 37.371 -4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -52.865 36.840 -5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -54.173 36.333 -6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -54.440 39.163 -5.651 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -52.938 38.863 -6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -55.655 37.925 -7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -54.934 39.455 -7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -54.161 38.052 -9.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -52.870 37.976 -8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -54.007 36.716 -8.605 1.00 0.00 H new ATOM 297 N ARG A 20 -56.008 38.367 -1.799 1.00 0.00 N ATOM 298 CA ARG A 20 -57.059 39.236 -1.193 1.00 0.00 C ATOM 299 C ARG A 20 -56.538 39.831 0.129 1.00 0.00 C ATOM 300 O ARG A 20 -57.316 40.211 1.003 1.00 0.00 O ATOM 301 CB ARG A 20 -58.309 38.390 -0.927 1.00 0.00 C ATOM 302 CG ARG A 20 -59.232 38.436 -2.148 1.00 0.00 C ATOM 303 CD ARG A 20 -59.192 37.089 -2.873 1.00 0.00 C ATOM 304 NE ARG A 20 -60.581 36.715 -3.288 1.00 0.00 N ATOM 305 CZ ARG A 20 -60.973 35.485 -3.225 1.00 0.00 C ATOM 306 NH1 ARG A 20 -61.400 35.002 -2.109 1.00 0.00 N ATOM 307 NH2 ARG A 20 -60.939 34.747 -4.281 1.00 0.00 N ATOM 0 H ARG A 20 -55.885 37.461 -1.347 1.00 0.00 H new ATOM 0 HA ARG A 20 -57.306 40.050 -1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -58.024 37.360 -0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -58.834 38.765 -0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -60.252 38.663 -1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -58.920 39.233 -2.823 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -58.542 37.151 -3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -58.775 36.322 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 20 -61.222 37.435 -3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -61.428 35.590 -1.276 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -61.710 34.031 -2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -60.603 35.134 -5.163 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -61.248 33.776 -4.235 1.00 0.00 H new ATOM 321 N ASN A 21 -55.235 39.916 0.290 1.00 0.00 N ATOM 322 CA ASN A 21 -54.646 40.475 1.552 1.00 0.00 C ATOM 323 C ASN A 21 -55.013 39.577 2.748 1.00 0.00 C ATOM 324 O ASN A 21 -55.129 40.041 3.882 1.00 0.00 O ATOM 325 CB ASN A 21 -55.176 41.897 1.782 1.00 0.00 C ATOM 326 CG ASN A 21 -54.677 42.815 0.668 1.00 0.00 C ATOM 327 OD1 ASN A 21 -53.540 43.266 0.691 1.00 0.00 O ATOM 328 ND2 ASN A 21 -55.468 43.117 -0.313 1.00 0.00 N ATOM 0 H ASN A 21 -54.550 39.619 -0.405 1.00 0.00 H new ATOM 0 HA ASN A 21 -53.561 40.507 1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -56.266 41.891 1.802 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -54.842 42.269 2.751 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -55.142 43.728 -1.062 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -56.417 42.743 -0.337 1.00 0.00 H new ATOM 335 N MET A 22 -55.193 38.300 2.518 1.00 0.00 N ATOM 336 CA MET A 22 -55.552 37.377 3.636 1.00 0.00 C ATOM 337 C MET A 22 -54.353 36.483 3.987 1.00 0.00 C ATOM 338 O MET A 22 -53.725 35.878 3.117 1.00 0.00 O ATOM 339 CB MET A 22 -56.739 36.509 3.208 1.00 0.00 C ATOM 340 CG MET A 22 -58.043 37.146 3.699 1.00 0.00 C ATOM 341 SD MET A 22 -59.451 36.321 2.915 1.00 0.00 S ATOM 342 CE MET A 22 -59.160 34.671 3.596 1.00 0.00 C ATOM 0 H MET A 22 -55.107 37.857 1.603 1.00 0.00 H new ATOM 0 HA MET A 22 -55.822 37.961 4.516 1.00 0.00 H new ATOM 0 HB2 MET A 22 -56.757 36.409 2.123 1.00 0.00 H new ATOM 0 HB3 MET A 22 -56.635 35.505 3.619 1.00 0.00 H new ATOM 0 HG2 MET A 22 -58.116 37.061 4.783 1.00 0.00 H new ATOM 0 HG3 MET A 22 -58.053 38.210 3.461 1.00 0.00 H new ATOM 0 HE1 MET A 22 -60.091 34.276 4.002 1.00 0.00 H new ATOM 0 HE2 MET A 22 -58.799 34.011 2.808 1.00 0.00 H new ATOM 0 HE3 MET A 22 -58.415 34.731 4.389 1.00 0.00 H new ATOM 352 N THR A 23 -54.026 36.388 5.248 1.00 0.00 N ATOM 353 CA THR A 23 -52.870 35.534 5.674 1.00 0.00 C ATOM 354 C THR A 23 -53.242 34.053 5.548 1.00 0.00 C ATOM 355 O THR A 23 -54.173 33.578 6.198 1.00 0.00 O ATOM 356 CB THR A 23 -52.527 35.834 7.136 1.00 0.00 C ATOM 357 OG1 THR A 23 -53.729 35.964 7.880 1.00 0.00 O ATOM 358 CG2 THR A 23 -51.736 37.136 7.227 1.00 0.00 C ATOM 0 H THR A 23 -54.510 36.866 6.008 1.00 0.00 H new ATOM 0 HA THR A 23 -52.013 35.752 5.036 1.00 0.00 H new ATOM 0 HB THR A 23 -51.926 35.019 7.540 1.00 0.00 H new ATOM 0 HG1 THR A 23 -54.316 35.203 7.689 1.00 0.00 H new ATOM 0 HG21 THR A 23 -51.495 37.343 8.270 1.00 0.00 H new ATOM 0 HG22 THR A 23 -50.814 37.042 6.653 1.00 0.00 H new ATOM 0 HG23 THR A 23 -52.333 37.953 6.823 1.00 0.00 H new ATOM 366 N VAL A 24 -52.534 33.315 4.733 1.00 0.00 N ATOM 367 CA VAL A 24 -52.844 31.858 4.570 1.00 0.00 C ATOM 368 C VAL A 24 -51.659 31.020 5.072 1.00 0.00 C ATOM 369 O VAL A 24 -50.612 30.943 4.429 1.00 0.00 O ATOM 370 CB VAL A 24 -53.103 31.542 3.091 1.00 0.00 C ATOM 371 CG1 VAL A 24 -53.691 30.137 2.966 1.00 0.00 C ATOM 372 CG2 VAL A 24 -54.098 32.548 2.512 1.00 0.00 C ATOM 0 H VAL A 24 -51.754 33.656 4.172 1.00 0.00 H new ATOM 0 HA VAL A 24 -53.734 31.615 5.151 1.00 0.00 H new ATOM 0 HB VAL A 24 -52.162 31.602 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -53.875 29.912 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -52.988 29.411 3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -54.629 30.085 3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -54.278 32.319 1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -55.037 32.489 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -53.689 33.555 2.599 1.00 0.00 H new ATOM 382 N HIS A 25 -51.802 30.394 6.209 1.00 0.00 N ATOM 383 CA HIS A 25 -50.682 29.563 6.758 1.00 0.00 C ATOM 384 C HIS A 25 -51.154 28.110 6.937 1.00 0.00 C ATOM 385 O HIS A 25 -52.223 27.850 7.494 1.00 0.00 O ATOM 386 CB HIS A 25 -50.229 30.137 8.109 1.00 0.00 C ATOM 387 CG HIS A 25 -49.938 31.609 7.968 1.00 0.00 C ATOM 388 ND1 HIS A 25 -48.661 32.091 7.734 1.00 0.00 N ATOM 389 CD2 HIS A 25 -50.749 32.714 8.027 1.00 0.00 C ATOM 390 CE1 HIS A 25 -48.742 33.435 7.663 1.00 0.00 C ATOM 391 NE2 HIS A 25 -49.992 33.864 7.835 1.00 0.00 N ATOM 0 H HIS A 25 -52.644 30.420 6.784 1.00 0.00 H new ATOM 0 HA HIS A 25 -49.843 29.581 6.062 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -51.004 29.981 8.859 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -49.339 29.613 8.457 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -47.814 31.532 7.634 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -51.815 32.693 8.197 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -47.897 34.085 7.488 1.00 0.00 H new ATOM 399 N PHE A 26 -50.378 27.163 6.469 1.00 0.00 N ATOM 400 CA PHE A 26 -50.769 25.720 6.594 1.00 0.00 C ATOM 401 C PHE A 26 -49.686 24.945 7.364 1.00 0.00 C ATOM 402 O PHE A 26 -48.592 24.705 6.852 1.00 0.00 O ATOM 403 CB PHE A 26 -50.909 25.117 5.190 1.00 0.00 C ATOM 404 CG PHE A 26 -52.353 25.143 4.750 1.00 0.00 C ATOM 405 CD1 PHE A 26 -53.039 26.359 4.657 1.00 0.00 C ATOM 406 CD2 PHE A 26 -53.001 23.948 4.422 1.00 0.00 C ATOM 407 CE1 PHE A 26 -54.374 26.378 4.239 1.00 0.00 C ATOM 408 CE2 PHE A 26 -54.335 23.967 4.002 1.00 0.00 C ATOM 409 CZ PHE A 26 -55.021 25.183 3.910 1.00 0.00 C ATOM 0 H PHE A 26 -49.486 27.326 6.003 1.00 0.00 H new ATOM 0 HA PHE A 26 -51.714 25.650 7.133 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -50.296 25.677 4.484 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -50.540 24.091 5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -52.538 27.282 4.908 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -52.471 23.010 4.493 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -54.905 27.316 4.170 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -54.835 23.044 3.749 1.00 0.00 H new ATOM 0 HZ PHE A 26 -56.051 25.199 3.585 1.00 0.00 H new ATOM 419 N LYS A 27 -49.964 24.540 8.575 1.00 0.00 N ATOM 420 CA LYS A 27 -48.945 23.773 9.362 1.00 0.00 C ATOM 421 C LYS A 27 -49.647 22.820 10.339 1.00 0.00 C ATOM 422 O LYS A 27 -50.858 22.864 10.505 1.00 0.00 O ATOM 423 CB LYS A 27 -48.065 24.757 10.140 1.00 0.00 C ATOM 424 CG LYS A 27 -46.625 24.676 9.624 1.00 0.00 C ATOM 425 CD LYS A 27 -45.893 23.527 10.326 1.00 0.00 C ATOM 426 CE LYS A 27 -44.386 23.782 10.297 1.00 0.00 C ATOM 427 NZ LYS A 27 -43.689 22.693 11.048 1.00 0.00 N ATOM 0 H LYS A 27 -50.849 24.705 9.055 1.00 0.00 H new ATOM 0 HA LYS A 27 -48.326 23.187 8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -48.447 25.771 10.025 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -48.094 24.524 11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -46.622 24.518 8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -46.108 25.617 9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -46.237 23.440 11.357 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -46.121 22.582 9.833 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -44.030 23.815 9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -44.160 24.750 10.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -42.663 22.862 11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -44.022 22.682 12.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -43.896 21.776 10.603 1.00 0.00 H new ATOM 441 N VAL A 28 -48.914 21.961 10.996 1.00 0.00 N ATOM 442 CA VAL A 28 -49.554 21.017 11.966 1.00 0.00 C ATOM 443 C VAL A 28 -49.268 21.477 13.399 1.00 0.00 C ATOM 444 O VAL A 28 -48.129 21.778 13.757 1.00 0.00 O ATOM 445 CB VAL A 28 -49.022 19.588 11.772 1.00 0.00 C ATOM 446 CG1 VAL A 28 -49.954 18.824 10.835 1.00 0.00 C ATOM 447 CG2 VAL A 28 -47.613 19.608 11.171 1.00 0.00 C ATOM 0 H VAL A 28 -47.902 21.870 10.905 1.00 0.00 H new ATOM 0 HA VAL A 28 -50.629 21.016 11.785 1.00 0.00 H new ATOM 0 HB VAL A 28 -48.981 19.099 12.745 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -49.579 17.810 10.696 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -50.953 18.785 11.268 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -49.996 19.331 9.871 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -47.258 18.586 11.043 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -47.638 20.108 10.203 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -46.940 20.145 11.839 1.00 0.00 H new ATOM 457 N LEU A 29 -50.282 21.540 14.219 1.00 0.00 N ATOM 458 CA LEU A 29 -50.087 21.984 15.638 1.00 0.00 C ATOM 459 C LEU A 29 -49.679 20.794 16.530 1.00 0.00 C ATOM 460 O LEU A 29 -49.106 20.976 17.603 1.00 0.00 O ATOM 461 CB LEU A 29 -51.384 22.610 16.168 1.00 0.00 C ATOM 462 CG LEU A 29 -52.561 21.653 15.967 1.00 0.00 C ATOM 463 CD1 LEU A 29 -52.966 21.050 17.309 1.00 0.00 C ATOM 464 CD2 LEU A 29 -53.738 22.427 15.388 1.00 0.00 C ATOM 0 H LEU A 29 -51.242 21.303 13.970 1.00 0.00 H new ATOM 0 HA LEU A 29 -49.288 22.725 15.663 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -51.275 22.845 17.227 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -51.579 23.550 15.651 1.00 0.00 H new ATOM 0 HG LEU A 29 -52.270 20.854 15.285 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -53.804 20.369 17.164 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -52.123 20.503 17.731 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -53.260 21.847 17.992 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -54.581 21.752 15.242 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -54.025 23.222 16.077 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -53.452 22.862 14.431 1.00 0.00 H new ATOM 476 N ARG A 30 -49.964 19.582 16.113 1.00 0.00 N ATOM 477 CA ARG A 30 -49.593 18.390 16.940 1.00 0.00 C ATOM 478 C ARG A 30 -49.943 17.098 16.186 1.00 0.00 C ATOM 479 O ARG A 30 -50.947 17.028 15.477 1.00 0.00 O ATOM 480 CB ARG A 30 -50.369 18.428 18.263 1.00 0.00 C ATOM 481 CG ARG A 30 -49.788 17.395 19.235 1.00 0.00 C ATOM 482 CD ARG A 30 -50.844 16.331 19.545 1.00 0.00 C ATOM 483 NE ARG A 30 -51.795 16.856 20.574 1.00 0.00 N ATOM 484 CZ ARG A 30 -51.411 17.010 21.796 1.00 0.00 C ATOM 485 NH1 ARG A 30 -51.390 15.996 22.589 1.00 0.00 N ATOM 486 NH2 ARG A 30 -51.049 18.174 22.214 1.00 0.00 N ATOM 0 H ARG A 30 -50.438 19.368 15.235 1.00 0.00 H new ATOM 0 HA ARG A 30 -48.521 18.412 17.137 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -50.312 19.425 18.700 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -51.423 18.219 18.083 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -48.904 16.929 18.800 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -49.470 17.885 20.155 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -51.385 16.065 18.637 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -50.364 15.422 19.908 1.00 0.00 H new ATOM 0 HE ARG A 30 -52.751 17.093 20.308 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -51.676 15.077 22.250 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -51.087 16.111 23.556 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -51.066 18.972 21.579 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -50.745 18.297 23.180 1.00 0.00 H new ATOM 631 N PHE A 40 -54.179 12.838 11.727 1.00 0.00 N ATOM 632 CA PHE A 40 -53.363 14.074 11.916 1.00 0.00 C ATOM 633 C PHE A 40 -54.251 15.322 11.855 1.00 0.00 C ATOM 634 O PHE A 40 -55.274 15.352 11.171 1.00 0.00 O ATOM 635 CB PHE A 40 -52.289 14.142 10.823 1.00 0.00 C ATOM 636 CG PHE A 40 -51.026 13.491 11.331 1.00 0.00 C ATOM 637 CD1 PHE A 40 -51.036 12.141 11.695 1.00 0.00 C ATOM 638 CD2 PHE A 40 -49.849 14.239 11.447 1.00 0.00 C ATOM 639 CE1 PHE A 40 -49.870 11.537 12.175 1.00 0.00 C ATOM 640 CE2 PHE A 40 -48.682 13.635 11.929 1.00 0.00 C ATOM 641 CZ PHE A 40 -48.692 12.284 12.292 1.00 0.00 C ATOM 0 HA PHE A 40 -52.888 14.040 12.897 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -52.637 13.636 9.922 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -52.094 15.179 10.551 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -51.945 11.565 11.605 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -49.841 15.281 11.165 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -49.878 10.494 12.456 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -47.774 14.212 12.021 1.00 0.00 H new ATOM 0 HZ PHE A 40 -47.791 11.818 12.662 1.00 0.00 H new ATOM 651 N ILE A 41 -53.874 16.355 12.560 1.00 0.00 N ATOM 652 CA ILE A 41 -54.683 17.610 12.550 1.00 0.00 C ATOM 653 C ILE A 41 -53.852 18.747 11.950 1.00 0.00 C ATOM 654 O ILE A 41 -52.935 19.284 12.577 1.00 0.00 O ATOM 655 CB ILE A 41 -55.104 17.968 13.979 1.00 0.00 C ATOM 656 CG1 ILE A 41 -55.948 16.832 14.563 1.00 0.00 C ATOM 657 CG2 ILE A 41 -55.937 19.251 13.963 1.00 0.00 C ATOM 658 CD1 ILE A 41 -55.037 15.793 15.219 1.00 0.00 C ATOM 0 H ILE A 41 -53.038 16.384 13.144 1.00 0.00 H new ATOM 0 HA ILE A 41 -55.577 17.460 11.945 1.00 0.00 H new ATOM 0 HB ILE A 41 -54.213 18.117 14.589 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -56.650 17.228 15.297 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -56.540 16.365 13.776 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -56.235 19.504 14.980 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -55.344 20.065 13.546 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -56.826 19.100 13.351 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -55.643 14.987 15.633 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -54.353 15.387 14.474 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -54.465 16.264 16.018 1.00 0.00 H new ATOM 670 N THR A 42 -54.160 19.125 10.743 1.00 0.00 N ATOM 671 CA THR A 42 -53.409 20.230 10.079 1.00 0.00 C ATOM 672 C THR A 42 -54.025 21.575 10.485 1.00 0.00 C ATOM 673 O THR A 42 -55.206 21.835 10.265 1.00 0.00 O ATOM 674 CB THR A 42 -53.486 20.061 8.555 1.00 0.00 C ATOM 675 OG1 THR A 42 -52.838 18.854 8.168 1.00 0.00 O ATOM 676 CG2 THR A 42 -52.787 21.230 7.867 1.00 0.00 C ATOM 0 H THR A 42 -54.906 18.714 10.181 1.00 0.00 H new ATOM 0 HA THR A 42 -52.364 20.202 10.389 1.00 0.00 H new ATOM 0 HB THR A 42 -54.535 20.030 8.261 1.00 0.00 H new ATOM 0 HG1 THR A 42 -52.964 18.709 7.207 1.00 0.00 H new ATOM 0 HG21 THR A 42 -52.845 21.104 6.786 1.00 0.00 H new ATOM 0 HG22 THR A 42 -53.274 22.163 8.150 1.00 0.00 H new ATOM 0 HG23 THR A 42 -51.741 21.260 8.173 1.00 0.00 H new ATOM 684 N ALA A 43 -53.248 22.441 11.066 1.00 0.00 N ATOM 685 CA ALA A 43 -53.776 23.771 11.473 1.00 0.00 C ATOM 686 C ALA A 43 -53.659 24.736 10.282 1.00 0.00 C ATOM 687 O ALA A 43 -52.557 25.096 9.862 1.00 0.00 O ATOM 688 CB ALA A 43 -52.958 24.295 12.663 1.00 0.00 C ATOM 0 H ALA A 43 -52.263 22.285 11.278 1.00 0.00 H new ATOM 0 HA ALA A 43 -54.822 23.690 11.770 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -53.340 25.270 12.966 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -53.041 23.598 13.497 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -51.912 24.390 12.372 1.00 0.00 H new ATOM 694 N CYS A 44 -54.762 25.161 9.719 1.00 0.00 N ATOM 695 CA CYS A 44 -54.684 26.088 8.560 1.00 0.00 C ATOM 696 C CYS A 44 -55.338 27.416 8.935 1.00 0.00 C ATOM 697 O CYS A 44 -56.444 27.452 9.464 1.00 0.00 O ATOM 698 CB CYS A 44 -55.414 25.460 7.372 1.00 0.00 C ATOM 699 SG CYS A 44 -54.850 23.754 7.150 1.00 0.00 S ATOM 0 H CYS A 44 -55.705 24.906 10.012 1.00 0.00 H new ATOM 0 HA CYS A 44 -53.643 26.267 8.290 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -56.491 25.479 7.542 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -55.223 26.038 6.468 1.00 0.00 H new ATOM 0 HG CYS A 44 -54.228 23.647 6.013 1.00 0.00 H new ATOM 705 N ILE A 45 -54.684 28.511 8.681 1.00 0.00 N ATOM 706 CA ILE A 45 -55.295 29.826 9.032 1.00 0.00 C ATOM 707 C ILE A 45 -55.466 30.667 7.760 1.00 0.00 C ATOM 708 O ILE A 45 -54.519 30.898 7.008 1.00 0.00 O ATOM 709 CB ILE A 45 -54.416 30.548 10.068 1.00 0.00 C ATOM 710 CG1 ILE A 45 -55.243 31.633 10.764 1.00 0.00 C ATOM 711 CG2 ILE A 45 -53.204 31.191 9.394 1.00 0.00 C ATOM 712 CD1 ILE A 45 -54.493 32.134 11.999 1.00 0.00 C ATOM 0 H ILE A 45 -53.761 28.557 8.250 1.00 0.00 H new ATOM 0 HA ILE A 45 -56.279 29.672 9.474 1.00 0.00 H new ATOM 0 HB ILE A 45 -54.064 29.819 10.797 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -55.428 32.460 10.078 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -56.215 31.234 11.053 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -52.596 31.696 10.144 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -52.609 30.421 8.903 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -53.542 31.915 8.653 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -55.082 32.906 12.494 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -54.330 31.305 12.687 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -53.531 32.549 11.697 1.00 0.00 H new ATOM 724 N VAL A 46 -56.667 31.109 7.500 1.00 0.00 N ATOM 725 CA VAL A 46 -56.932 31.922 6.277 1.00 0.00 C ATOM 726 C VAL A 46 -58.061 32.936 6.559 1.00 0.00 C ATOM 727 O VAL A 46 -59.154 32.871 5.991 1.00 0.00 O ATOM 728 CB VAL A 46 -57.303 30.982 5.115 1.00 0.00 C ATOM 729 CG1 VAL A 46 -58.630 30.277 5.404 1.00 0.00 C ATOM 730 CG2 VAL A 46 -57.433 31.786 3.820 1.00 0.00 C ATOM 0 H VAL A 46 -57.483 30.940 8.088 1.00 0.00 H new ATOM 0 HA VAL A 46 -56.039 32.482 5.999 1.00 0.00 H new ATOM 0 HB VAL A 46 -56.516 30.235 5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -58.879 29.616 4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -58.539 29.692 6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -59.418 31.020 5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -57.696 31.117 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -58.212 32.540 3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -56.484 32.275 3.599 1.00 0.00 H new ATOM 740 N GLY A 47 -57.802 33.885 7.426 1.00 0.00 N ATOM 741 CA GLY A 47 -58.822 34.940 7.762 1.00 0.00 C ATOM 742 C GLY A 47 -60.132 34.327 8.285 1.00 0.00 C ATOM 743 O GLY A 47 -60.370 34.276 9.487 1.00 0.00 O ATOM 0 H GLY A 47 -56.917 33.978 7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -58.412 35.615 8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -59.030 35.539 6.875 1.00 0.00 H new ATOM 747 N SER A 48 -60.993 33.892 7.403 1.00 0.00 N ATOM 748 CA SER A 48 -62.308 33.312 7.839 1.00 0.00 C ATOM 749 C SER A 48 -62.144 31.886 8.382 1.00 0.00 C ATOM 750 O SER A 48 -62.989 31.408 9.134 1.00 0.00 O ATOM 751 CB SER A 48 -63.270 33.276 6.649 1.00 0.00 C ATOM 752 OG SER A 48 -64.597 33.068 7.122 1.00 0.00 O ATOM 0 H SER A 48 -60.846 33.912 6.394 1.00 0.00 H new ATOM 0 HA SER A 48 -62.703 33.944 8.635 1.00 0.00 H new ATOM 0 HB2 SER A 48 -63.213 34.211 6.092 1.00 0.00 H new ATOM 0 HB3 SER A 48 -62.987 32.478 5.962 1.00 0.00 H new ATOM 0 HG SER A 48 -65.194 33.737 6.726 1.00 0.00 H new ATOM 758 N ILE A 49 -61.102 31.182 8.016 1.00 0.00 N ATOM 759 CA ILE A 49 -60.950 29.779 8.532 1.00 0.00 C ATOM 760 C ILE A 49 -59.656 29.629 9.343 1.00 0.00 C ATOM 761 O ILE A 49 -58.648 30.280 9.072 1.00 0.00 O ATOM 762 CB ILE A 49 -60.932 28.789 7.358 1.00 0.00 C ATOM 763 CG1 ILE A 49 -62.186 28.975 6.495 1.00 0.00 C ATOM 764 CG2 ILE A 49 -60.904 27.355 7.896 1.00 0.00 C ATOM 765 CD1 ILE A 49 -63.437 28.626 7.307 1.00 0.00 C ATOM 0 H ILE A 49 -60.361 31.506 7.395 1.00 0.00 H new ATOM 0 HA ILE A 49 -61.797 29.564 9.183 1.00 0.00 H new ATOM 0 HB ILE A 49 -60.045 28.975 6.753 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -62.246 30.005 6.144 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -62.127 28.340 5.611 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -60.891 26.654 7.062 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -60.011 27.212 8.504 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -61.790 27.178 8.506 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -64.323 28.761 6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -63.379 27.589 7.636 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -63.500 29.280 8.177 1.00 0.00 H new ATOM 777 N VAL A 50 -59.669 28.767 10.322 1.00 0.00 N ATOM 778 CA VAL A 50 -58.452 28.535 11.160 1.00 0.00 C ATOM 779 C VAL A 50 -58.289 27.039 11.410 1.00 0.00 C ATOM 780 O VAL A 50 -59.241 26.277 11.299 1.00 0.00 O ATOM 781 CB VAL A 50 -58.621 29.198 12.522 1.00 0.00 C ATOM 782 CG1 VAL A 50 -57.502 28.753 13.461 1.00 0.00 C ATOM 783 CG2 VAL A 50 -58.602 30.722 12.387 1.00 0.00 C ATOM 0 H VAL A 50 -60.480 28.205 10.582 1.00 0.00 H new ATOM 0 HA VAL A 50 -57.590 28.947 10.636 1.00 0.00 H new ATOM 0 HB VAL A 50 -59.583 28.895 12.934 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -57.630 29.231 14.432 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -57.538 27.670 13.582 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -56.538 29.039 13.040 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -58.724 31.176 13.370 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -57.651 31.037 11.957 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -59.417 31.040 11.737 1.00 0.00 H new ATOM 793 N THR A 51 -57.098 26.638 11.780 1.00 0.00 N ATOM 794 CA THR A 51 -56.792 25.199 12.092 1.00 0.00 C ATOM 795 C THR A 51 -57.828 24.263 11.437 1.00 0.00 C ATOM 796 O THR A 51 -57.836 24.107 10.218 1.00 0.00 O ATOM 797 CB THR A 51 -56.735 25.000 13.621 1.00 0.00 C ATOM 798 OG1 THR A 51 -56.691 23.615 13.907 1.00 0.00 O ATOM 799 CG2 THR A 51 -57.961 25.613 14.307 1.00 0.00 C ATOM 0 H THR A 51 -56.299 27.264 11.883 1.00 0.00 H new ATOM 0 HA THR A 51 -55.818 24.942 11.675 1.00 0.00 H new ATOM 0 HB THR A 51 -55.842 25.498 13.999 1.00 0.00 H new ATOM 0 HG1 THR A 51 -56.653 23.482 14.877 1.00 0.00 H new ATOM 0 HG21 THR A 51 -57.892 25.457 15.383 1.00 0.00 H new ATOM 0 HG22 THR A 51 -57.999 26.682 14.097 1.00 0.00 H new ATOM 0 HG23 THR A 51 -58.866 25.137 13.929 1.00 0.00 H new ATOM 807 N GLU A 52 -58.697 23.669 12.222 1.00 0.00 N ATOM 808 CA GLU A 52 -59.772 22.762 11.705 1.00 0.00 C ATOM 809 C GLU A 52 -59.313 21.834 10.570 1.00 0.00 C ATOM 810 O GLU A 52 -60.126 21.342 9.780 1.00 0.00 O ATOM 811 CB GLU A 52 -60.920 23.606 11.193 1.00 0.00 C ATOM 812 CG GLU A 52 -62.078 23.557 12.199 1.00 0.00 C ATOM 813 CD GLU A 52 -63.123 22.533 11.753 1.00 0.00 C ATOM 814 OE1 GLU A 52 -62.833 21.346 11.805 1.00 0.00 O ATOM 815 OE2 GLU A 52 -64.193 22.946 11.357 1.00 0.00 O ATOM 0 H GLU A 52 -58.704 23.781 13.236 1.00 0.00 H new ATOM 0 HA GLU A 52 -60.066 22.125 12.539 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -60.593 24.636 11.049 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -61.252 23.238 10.222 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -61.700 23.295 13.187 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -62.537 24.542 12.284 1.00 0.00 H new ATOM 822 N GLY A 53 -58.056 21.579 10.462 1.00 0.00 N ATOM 823 CA GLY A 53 -57.577 20.687 9.368 1.00 0.00 C ATOM 824 C GLY A 53 -57.475 19.251 9.863 1.00 0.00 C ATOM 825 O GLY A 53 -56.736 18.952 10.794 1.00 0.00 O ATOM 0 H GLY A 53 -57.330 21.944 11.078 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -58.261 20.739 8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -56.604 21.026 9.013 1.00 0.00 H new ATOM 829 N GLU A 54 -58.195 18.353 9.255 1.00 0.00 N ATOM 830 CA GLU A 54 -58.124 16.928 9.693 1.00 0.00 C ATOM 831 C GLU A 54 -56.990 16.226 8.918 1.00 0.00 C ATOM 832 O GLU A 54 -55.900 16.783 8.733 1.00 0.00 O ATOM 833 CB GLU A 54 -59.472 16.225 9.426 1.00 0.00 C ATOM 834 CG GLU A 54 -60.630 17.228 9.506 1.00 0.00 C ATOM 835 CD GLU A 54 -61.078 17.604 8.098 1.00 0.00 C ATOM 836 OE1 GLU A 54 -61.886 16.885 7.549 1.00 0.00 O ATOM 837 OE2 GLU A 54 -60.613 18.607 7.597 1.00 0.00 O ATOM 0 H GLU A 54 -58.828 18.540 8.477 1.00 0.00 H new ATOM 0 HA GLU A 54 -57.919 16.879 10.762 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -59.456 15.758 8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -59.623 15.428 10.154 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -61.463 16.794 10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -60.316 18.119 10.049 1.00 0.00 H new ATOM 844 N GLY A 55 -57.222 15.028 8.449 1.00 0.00 N ATOM 845 CA GLY A 55 -56.169 14.296 7.677 1.00 0.00 C ATOM 846 C GLY A 55 -55.760 13.001 8.388 1.00 0.00 C ATOM 847 O GLY A 55 -56.091 12.765 9.550 1.00 0.00 O ATOM 0 H GLY A 55 -58.099 14.521 8.567 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -56.541 14.064 6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -55.296 14.936 7.551 1.00 0.00 H new ATOM 943 N LYS A 62 -53.249 18.362 4.954 1.00 0.00 N ATOM 944 CA LYS A 62 -53.234 19.751 4.386 1.00 0.00 C ATOM 945 C LYS A 62 -54.317 19.853 3.300 1.00 0.00 C ATOM 946 O LYS A 62 -55.061 20.826 3.230 1.00 0.00 O ATOM 947 CB LYS A 62 -51.857 20.040 3.766 1.00 0.00 C ATOM 948 CG LYS A 62 -50.765 19.932 4.836 1.00 0.00 C ATOM 949 CD LYS A 62 -49.572 20.828 4.461 1.00 0.00 C ATOM 950 CE LYS A 62 -48.984 20.391 3.112 1.00 0.00 C ATOM 951 NZ LYS A 62 -47.494 20.506 3.155 1.00 0.00 N ATOM 0 HA LYS A 62 -53.430 20.476 5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -51.658 19.335 2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -51.849 21.038 3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -51.164 20.230 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -50.438 18.897 4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -49.892 21.868 4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -48.807 20.770 5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -49.274 19.363 2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -49.384 21.012 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -47.096 20.210 2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -47.227 21.493 3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -47.120 19.895 3.909 1.00 0.00 H new ATOM 965 N LYS A 63 -54.421 18.846 2.466 1.00 0.00 N ATOM 966 CA LYS A 63 -55.457 18.844 1.387 1.00 0.00 C ATOM 967 C LYS A 63 -56.860 18.844 2.017 1.00 0.00 C ATOM 968 O LYS A 63 -57.598 19.820 1.916 1.00 0.00 O ATOM 969 CB LYS A 63 -55.276 17.587 0.521 1.00 0.00 C ATOM 970 CG LYS A 63 -54.399 17.920 -0.690 1.00 0.00 C ATOM 971 CD LYS A 63 -54.420 16.743 -1.670 1.00 0.00 C ATOM 972 CE LYS A 63 -53.407 16.983 -2.791 1.00 0.00 C ATOM 973 NZ LYS A 63 -52.880 15.665 -3.258 1.00 0.00 N ATOM 0 H LYS A 63 -53.826 18.018 2.488 1.00 0.00 H new ATOM 0 HA LYS A 63 -55.346 19.734 0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -54.817 16.792 1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -56.247 17.218 0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -54.764 18.823 -1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -53.377 18.122 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -54.183 15.817 -1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -55.419 16.625 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -53.878 17.515 -3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -52.590 17.610 -2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -52.190 15.818 -4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -52.417 15.176 -2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -53.665 15.083 -3.613 1.00 0.00 H new ATOM 987 N ARG A 64 -57.228 17.766 2.670 1.00 0.00 N ATOM 988 CA ARG A 64 -58.576 17.680 3.322 1.00 0.00 C ATOM 989 C ARG A 64 -58.850 18.947 4.145 1.00 0.00 C ATOM 990 O ARG A 64 -59.918 19.556 4.047 1.00 0.00 O ATOM 991 CB ARG A 64 -58.608 16.456 4.245 1.00 0.00 C ATOM 992 CG ARG A 64 -59.655 15.460 3.740 1.00 0.00 C ATOM 993 CD ARG A 64 -60.310 14.764 4.933 1.00 0.00 C ATOM 994 NE ARG A 64 -61.463 15.585 5.406 1.00 0.00 N ATOM 995 CZ ARG A 64 -62.672 15.243 5.123 1.00 0.00 C ATOM 996 NH1 ARG A 64 -63.111 15.375 3.920 1.00 0.00 N ATOM 997 NH2 ARG A 64 -63.437 14.791 6.054 1.00 0.00 N ATOM 0 H ARG A 64 -56.647 16.935 2.780 1.00 0.00 H new ATOM 0 HA ARG A 64 -59.342 17.588 2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -57.626 15.984 4.274 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -58.844 16.762 5.264 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -60.409 15.978 3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -59.187 14.723 3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -60.650 13.768 4.647 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -59.586 14.635 5.737 1.00 0.00 H new ATOM 0 HE ARG A 64 -61.292 16.425 5.959 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -62.502 15.750 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -64.068 15.105 3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -63.084 14.706 7.007 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -64.396 14.518 5.839 1.00 0.00 H new ATOM 1011 N ALA A 65 -57.902 19.361 4.945 1.00 0.00 N ATOM 1012 CA ALA A 65 -58.100 20.590 5.761 1.00 0.00 C ATOM 1013 C ALA A 65 -58.377 21.784 4.817 1.00 0.00 C ATOM 1014 O ALA A 65 -59.282 22.597 5.044 1.00 0.00 O ATOM 1015 CB ALA A 65 -56.834 20.858 6.579 1.00 0.00 C ATOM 0 H ALA A 65 -57.000 18.900 5.067 1.00 0.00 H new ATOM 0 HA ALA A 65 -58.945 20.459 6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -56.972 21.757 7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -56.639 20.010 7.235 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -55.988 20.998 5.906 1.00 0.00 H new ATOM 1021 N ALA A 66 -57.615 21.892 3.749 1.00 0.00 N ATOM 1022 CA ALA A 66 -57.818 23.008 2.771 1.00 0.00 C ATOM 1023 C ALA A 66 -59.196 22.876 2.108 1.00 0.00 C ATOM 1024 O ALA A 66 -59.874 23.876 1.858 1.00 0.00 O ATOM 1025 CB ALA A 66 -56.721 22.957 1.702 1.00 0.00 C ATOM 0 H ALA A 66 -56.858 21.250 3.514 1.00 0.00 H new ATOM 0 HA ALA A 66 -57.767 23.962 3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -56.869 23.769 0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -55.745 23.063 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -56.768 22.002 1.178 1.00 0.00 H new ATOM 1031 N GLU A 67 -59.633 21.667 1.836 1.00 0.00 N ATOM 1032 CA GLU A 67 -60.981 21.473 1.214 1.00 0.00 C ATOM 1033 C GLU A 67 -62.017 22.192 2.077 1.00 0.00 C ATOM 1034 O GLU A 67 -62.878 22.917 1.579 1.00 0.00 O ATOM 1035 CB GLU A 67 -61.321 19.980 1.162 1.00 0.00 C ATOM 1036 CG GLU A 67 -60.204 19.214 0.445 1.00 0.00 C ATOM 1037 CD GLU A 67 -60.807 18.116 -0.422 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -61.012 17.025 0.081 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -61.042 18.381 -1.590 1.00 0.00 O ATOM 0 H GLU A 67 -59.114 20.808 2.018 1.00 0.00 H new ATOM 0 HA GLU A 67 -60.981 21.874 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -61.449 19.592 2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -62.267 19.832 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -59.619 19.897 -0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -59.521 18.780 1.175 1.00 0.00 H new ATOM 1046 N LYS A 68 -61.919 22.024 3.370 1.00 0.00 N ATOM 1047 CA LYS A 68 -62.862 22.713 4.301 1.00 0.00 C ATOM 1048 C LYS A 68 -62.751 24.231 4.081 1.00 0.00 C ATOM 1049 O LYS A 68 -63.751 24.934 3.951 1.00 0.00 O ATOM 1050 CB LYS A 68 -62.463 22.383 5.749 1.00 0.00 C ATOM 1051 CG LYS A 68 -63.555 21.564 6.448 1.00 0.00 C ATOM 1052 CD LYS A 68 -63.281 21.567 7.963 1.00 0.00 C ATOM 1053 CE LYS A 68 -63.114 20.137 8.481 1.00 0.00 C ATOM 1054 NZ LYS A 68 -62.214 20.144 9.671 1.00 0.00 N ATOM 0 H LYS A 68 -61.221 21.435 3.824 1.00 0.00 H new ATOM 0 HA LYS A 68 -63.884 22.383 4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -61.526 21.825 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -62.287 23.306 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -64.537 21.989 6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -63.563 20.543 6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -62.381 22.144 8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -64.103 22.056 8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -64.085 19.719 8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -62.697 19.502 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -62.058 19.168 9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -61.302 20.573 9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -62.653 20.696 10.435 1.00 0.00 H new ATOM 1068 N MET A 69 -61.543 24.740 4.028 1.00 0.00 N ATOM 1069 CA MET A 69 -61.339 26.210 3.812 1.00 0.00 C ATOM 1070 C MET A 69 -61.976 26.654 2.487 1.00 0.00 C ATOM 1071 O MET A 69 -62.790 27.575 2.450 1.00 0.00 O ATOM 1072 CB MET A 69 -59.836 26.514 3.771 1.00 0.00 C ATOM 1073 CG MET A 69 -59.205 26.196 5.127 1.00 0.00 C ATOM 1074 SD MET A 69 -57.513 26.829 5.157 1.00 0.00 S ATOM 1075 CE MET A 69 -57.600 27.612 6.784 1.00 0.00 C ATOM 0 H MET A 69 -60.684 24.198 4.126 1.00 0.00 H new ATOM 0 HA MET A 69 -61.811 26.752 4.632 1.00 0.00 H new ATOM 0 HB2 MET A 69 -59.358 25.923 2.990 1.00 0.00 H new ATOM 0 HB3 MET A 69 -59.675 27.563 3.522 1.00 0.00 H new ATOM 0 HG2 MET A 69 -59.789 26.648 5.929 1.00 0.00 H new ATOM 0 HG3 MET A 69 -59.207 25.120 5.299 1.00 0.00 H new ATOM 0 HE1 MET A 69 -56.739 28.266 6.919 1.00 0.00 H new ATOM 0 HE2 MET A 69 -58.516 28.198 6.857 1.00 0.00 H new ATOM 0 HE3 MET A 69 -57.598 26.844 7.558 1.00 0.00 H new ATOM 1085 N LEU A 70 -61.611 26.030 1.397 1.00 0.00 N ATOM 1086 CA LEU A 70 -62.185 26.428 0.073 1.00 0.00 C ATOM 1087 C LEU A 70 -63.713 26.242 0.059 1.00 0.00 C ATOM 1088 O LEU A 70 -64.449 27.119 -0.388 1.00 0.00 O ATOM 1089 CB LEU A 70 -61.559 25.566 -1.028 1.00 0.00 C ATOM 1090 CG LEU A 70 -60.090 25.949 -1.232 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -59.558 25.239 -2.475 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -59.963 27.461 -1.428 1.00 0.00 C ATOM 0 H LEU A 70 -60.941 25.262 1.365 1.00 0.00 H new ATOM 0 HA LEU A 70 -61.963 27.481 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -61.633 24.512 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -62.109 25.698 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 70 -59.517 25.652 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -58.512 25.507 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -59.641 24.160 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -60.141 25.543 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -58.915 27.722 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -60.536 27.764 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -60.347 27.976 -0.547 1.00 0.00 H new ATOM 1104 N VAL A 71 -64.203 25.120 0.527 1.00 0.00 N ATOM 1105 CA VAL A 71 -65.686 24.880 0.525 1.00 0.00 C ATOM 1106 C VAL A 71 -66.421 26.049 1.204 1.00 0.00 C ATOM 1107 O VAL A 71 -67.403 26.571 0.676 1.00 0.00 O ATOM 1108 CB VAL A 71 -65.993 23.572 1.268 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -67.504 23.414 1.443 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -65.470 22.386 0.456 1.00 0.00 C ATOM 0 H VAL A 71 -63.643 24.359 0.911 1.00 0.00 H new ATOM 0 HA VAL A 71 -66.031 24.805 -0.506 1.00 0.00 H new ATOM 0 HB VAL A 71 -65.509 23.601 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -67.714 22.484 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -67.893 24.254 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -67.983 23.392 0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -65.689 21.458 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -65.956 22.371 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -64.392 22.483 0.323 1.00 0.00 H new ATOM 1120 N GLU A 72 -65.974 26.468 2.358 1.00 0.00 N ATOM 1121 CA GLU A 72 -66.655 27.600 3.061 1.00 0.00 C ATOM 1122 C GLU A 72 -66.264 28.941 2.421 1.00 0.00 C ATOM 1123 O GLU A 72 -67.118 29.774 2.123 1.00 0.00 O ATOM 1124 CB GLU A 72 -66.249 27.595 4.538 1.00 0.00 C ATOM 1125 CG GLU A 72 -66.995 26.473 5.270 1.00 0.00 C ATOM 1126 CD GLU A 72 -66.777 26.601 6.777 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -65.720 26.207 7.238 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -67.675 27.090 7.441 1.00 0.00 O ATOM 0 H GLU A 72 -65.168 26.077 2.846 1.00 0.00 H new ATOM 0 HA GLU A 72 -67.734 27.475 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -65.173 27.450 4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -66.481 28.558 4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -68.060 26.523 5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -66.640 25.502 4.924 1.00 0.00 H new ATOM 1135 N LEU A 73 -64.992 29.169 2.206 1.00 0.00 N ATOM 1136 CA LEU A 73 -64.543 30.463 1.591 1.00 0.00 C ATOM 1137 C LEU A 73 -65.192 30.673 0.214 1.00 0.00 C ATOM 1138 O LEU A 73 -65.462 31.802 -0.185 1.00 0.00 O ATOM 1139 CB LEU A 73 -63.018 30.455 1.446 1.00 0.00 C ATOM 1140 CG LEU A 73 -62.369 30.469 2.832 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -60.865 30.259 2.689 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -62.625 31.816 3.506 1.00 0.00 C ATOM 0 H LEU A 73 -64.241 28.515 2.429 1.00 0.00 H new ATOM 0 HA LEU A 73 -64.850 31.281 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -62.700 29.571 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -62.693 31.323 0.873 1.00 0.00 H new ATOM 0 HG LEU A 73 -62.797 29.671 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -60.401 30.269 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -60.676 29.299 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -60.442 31.059 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -62.162 31.823 4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -62.197 32.614 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -63.699 31.973 3.608 1.00 0.00 H new ATOM 1154 N GLN A 74 -65.455 29.622 -0.518 1.00 0.00 N ATOM 1155 CA GLN A 74 -66.103 29.792 -1.857 1.00 0.00 C ATOM 1156 C GLN A 74 -67.635 29.864 -1.692 1.00 0.00 C ATOM 1157 O GLN A 74 -68.380 29.870 -2.673 1.00 0.00 O ATOM 1158 CB GLN A 74 -65.735 28.605 -2.755 1.00 0.00 C ATOM 1159 CG GLN A 74 -64.290 28.760 -3.256 1.00 0.00 C ATOM 1160 CD GLN A 74 -64.164 30.006 -4.138 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -63.334 30.873 -3.884 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -64.944 30.147 -5.166 1.00 0.00 N ATOM 0 H GLN A 74 -65.252 28.659 -0.251 1.00 0.00 H new ATOM 0 HA GLN A 74 -65.751 30.717 -2.314 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -65.840 27.672 -2.201 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -66.419 28.552 -3.602 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -63.610 28.836 -2.408 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -63.997 27.875 -3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -65.636 29.430 -5.383 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -64.865 30.975 -5.757 1.00 0.00 H new ATOM 1171 N LYS A 75 -68.116 29.914 -0.472 1.00 0.00 N ATOM 1172 CA LYS A 75 -69.589 29.981 -0.231 1.00 0.00 C ATOM 1173 C LYS A 75 -69.948 31.202 0.644 1.00 0.00 C ATOM 1174 O LYS A 75 -71.118 31.407 0.981 1.00 0.00 O ATOM 1175 CB LYS A 75 -70.022 28.704 0.487 1.00 0.00 C ATOM 1176 CG LYS A 75 -71.517 28.466 0.257 1.00 0.00 C ATOM 1177 CD LYS A 75 -72.131 27.828 1.507 1.00 0.00 C ATOM 1178 CE LYS A 75 -73.112 28.807 2.154 1.00 0.00 C ATOM 1179 NZ LYS A 75 -73.779 28.135 3.311 1.00 0.00 N ATOM 0 H LYS A 75 -67.544 29.911 0.373 1.00 0.00 H new ATOM 0 HA LYS A 75 -70.103 30.080 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -69.447 27.855 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -69.817 28.788 1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -72.016 29.409 0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -71.664 27.816 -0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -72.645 26.905 1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -71.346 27.563 2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -72.586 29.700 2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -73.856 29.130 1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -74.448 28.795 3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -74.292 27.295 2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -73.061 27.847 4.006 1.00 0.00 H new ATOM 1193 N LEU A 76 -68.978 31.997 1.028 1.00 0.00 N ATOM 1194 CA LEU A 76 -69.263 33.190 1.878 1.00 0.00 C ATOM 1195 C LEU A 76 -69.384 34.447 0.997 1.00 0.00 C ATOM 1196 O LEU A 76 -70.394 35.125 1.106 1.00 0.00 O ATOM 1197 CB LEU A 76 -68.116 33.372 2.876 1.00 0.00 C ATOM 1198 CG LEU A 76 -68.289 32.406 4.048 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -66.996 32.347 4.853 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -69.414 32.900 4.951 1.00 0.00 C ATOM 1201 OXT LEU A 76 -68.466 34.715 0.231 1.00 0.00 O ATOM 0 H LEU A 76 -67.996 31.867 0.786 1.00 0.00 H new ATOM 0 HA LEU A 76 -70.202 33.042 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -67.161 33.192 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -68.098 34.399 3.240 1.00 0.00 H new ATOM 0 HG LEU A 76 -68.531 31.414 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -67.119 31.658 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -66.185 32.000 4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -66.759 33.340 5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -69.538 32.212 5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -69.167 33.891 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -70.342 32.950 4.382 1.00 0.00 H new